A0A096MNL0_PAPAN Loading...

protein-tyrosine-phosphatase

AlphaFold DB , UniProt , Accession A0A096MNL0, Species PAPAN (Papio anubis, Olive baboon), Gene PTPN5, Length 565 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.4	Very low	32.7	Very low	236 Å²	236	167 Å²	167	100%	1.163	84%	0.838	S	S	*	*				0	124.9	0	-87.3	175.8	173	0	0	108.1
2	N	33.3	Very low	32.5	Very low	144 Å²	144	162.2 Å²	162.2	77%	0.77	82%	0.817	S	S	*	*			trans	66.8	102.5	167.3	-60.2	-5.9	0	0	0	117.5
3	Y	35	Very low	32.4	Very low	223 Å²	223	162.7 Å²	162.7	88%	0.875	81%	0.814	S	S	*	*				83.5	100.5	77.3	-98.5	-76.9	0	0	0	112.3
4	E	34.1	Very low	32.4	Very low	204 Å²	204	158.1 Å²	158.1	95%	0.953	81%	0.814	S	S	*	*			trans	-129	115.1	152.5	-89.1	-173.8	159.2	0	0	108.5
5	G	31.9	Very low	32.5	Very low	77 Å²	77	153.1 Å²	153.1	79%	0.794	81%	0.806	S	S	*	*			trans	-139.4	114.5	167.5	0	0	0	0	0	106.9
6	A	34.6	Very low	32.7	Very low	111 Å²	111	152.8 Å²	152.8	92%	0.917	81%	0.805	S	S	*	*			trans	-125.5	130.4	169.9	0	0	0	0	0	108.3
7	R	32.5	Very low	33	Very low	244 Å²	244	151.3 Å²	151.3	92%	0.921	80%	0.797	S	S	*	*			trans	-118.1	138.4	-172.7	-157.2	-169.4	-177.1	172.7	1.1	107.7
8	S	30	Very low	33.1	Very low	93 Å²	93	152.1 Å²	152.1	65%	0.65	79%	0.793	S	S	*	*			trans	72.2	127.9	144.5	-159.6	0	0	0	0	120.6
9	E	32	Very low	33.2	Very low	163 Å²	163	153.2 Å²	153.2	76%	0.762	79%	0.794	S	S	*	*				168.8	121.7	108.3	-88.7	-177.9	172.8	0	0	110.1
10	R	30.6	Very low	33	Very low	207 Å²	207	149.7 Å²	149.7	78%	0.781	80%	0.797	S	S	*	*				63.3	134.1	103.4	-82.5	-174.4	-171.6	-175.8	5.8	113.6
11	E	32.4	Very low	32.9	Very low	135 Å²	135	146.5 Å²	146.5	63%	0.631	80%	0.8	S	S	*	*			cis	178	160.4	42	-126.4	171.1	-148.7	0	0	111.6
12	N	30	Very low	32.7	Very low	109 Å²	109	140.4 Å²	140.4	58%	0.583	79%	0.787	S	S	*	*			trans	71.3	146.2	147.9	-57.2	-23.4	0	0	0	120.9
13	H	31.5	Very low	32.7	Very low	169 Å²	169	142.1 Å²	142.1	78%	0.782	80%	0.796	S	S	*	*			cis	-168.7	148.4	-7.4	-100.8	-27.6	0	0	0	109.9
14	A	31.7	Very low	32.5	Very low	99 Å²	99	139 Å²	139	82%	0.818	79%	0.794	S	S	*	*			trans	9.2	134.7	152.7	0	0	0	0	0	124
15	A	33.9	Very low	32.3	Very low	83 Å²	83	137.5 Å²	137.5	69%	0.686	79%	0.789	S	S	*	*				150	127.3	99.5	0	0	0	0	0	114.4
16	D	36.2	Very low	32.2	Very low	148 Å²	148	139.6 Å²	139.6	79%	0.791	79%	0.79	S	S	*	*			trans	52.8	140	149	-54.1	-15.3	0	0	0	120.3
17	D	37.1	Very low	32	Very low	127 Å²	127	140 Å²	140	68%	0.679	79%	0.785	S	S	*	*			cis	-172.5	158	25.8	-134.5	-10.7	0	0	0	112.2
18	F	36.2	Very low	32	Very low	165 Å²	165	133.8 Å²	133.8	72%	0.724	78%	0.779	S	S	*	*			trans	63.7	138.3	162.5	-78.1	-89.7	0	0	0	121.1
19	E	34.4	Very low	32	Very low	174 Å²	174	136.9 Å²	136.9	81%	0.813	78%	0.783	S	S	*	*			cis	-166.9	146.7	5.3	-157.5	176.2	-142.9	0	0	111.4
20	G	29.7	Very low	31.9	Very low	83 Å²	83	139 Å²	139	86%	0.856	78%	0.784	S	S	*	*			trans	73.3	131.2	147.4	0	0	0	0	0	120.4
21	G	29.5	Very low	31.8	Very low	83 Å²	83	136.5 Å²	136.5	86%	0.856	79%	0.785	S	S	*	*			cis	174.3	143.7	1.3	0	0	0	0	0	108.9
22	A	30.7	Very low	32.4	Very low	108 Å²	108	136 Å²	136	89%	0.893	79%	0.794	S	S	*	*			trans	-142.3	145.2	174.1	0	0	0	0	0	109.2
23	L	32.3	Very low	32.4	Very low	180 Å²	180	134.5 Å²	134.5	94%	0.942	80%	0.804	S	S	*	*			trans	-122.7	131.4	-176.5	-94.9	161	0	0	0	110.3
24	D	31.2	Very low	32.2	Very low	156 Å²	156	134.6 Å²	134.6	83%	0.834	81%	0.809	S	S	*	*			trans	-153	156.9	154.9	-153.1	2.3	0	0	0	111.3
25	M	30.9	Very low	32.7	Very low	174 Å²	174	135.3 Å²	135.3	86%	0.857	81%	0.806	S	S	*	*			trans	96	148.8	160.8	-67.2	-124	-67.9	0	0	124.1
26	C	29.2	Very low	32.7	Very low	120 Å²	120	139.8 Å²	139.8	81%	0.811	81%	0.812	S	S	*	*			trans	-89	166	-158.2	-78.6	0	0	0	0	120
27	C	30.2	Very low	33	Very low	120 Å²	120	137.2 Å²	137.2	81%	0.811	80%	0.804	S	S	*	*			trans	96	133.6	138.6	-80.6	0	0	0	0	125
28	S	31.9	Very low	32.6	Very low	113 Å²	113	138.7 Å²	138.7	79%	0.79	81%	0.81	S	S	*	*			trans	72.9	147.7	151.7	-77.1	0	0	0	0	120.7
29	E	31.3	Very low	32.3	Very low	158 Å²	158	136.8 Å²	136.8	74%	0.738	81%	0.812	S	S	*	*			cis	-169.8	151.6	23.4	-128.1	179	155	0	0	114.6
30	R	29.3	Very low	31.9	Very low	209 Å²	209	135.6 Å²	135.6	79%	0.789	81%	0.808	S	S	*	*			trans	28.7	129	145.8	-79.2	176.4	176.5	168.9	-0.5	128.9
31	L	28.7	Very low	31.8	Very low	154 Å²	154	139.4 Å²	139.4	81%	0.806	80%	0.803	S	S	*	*				54.8	165	126.9	-77.7	166.4	0	0	0	123.2
32	P	45.5	Very low	31.7	Very low	124 Å²	124	139.4 Å²	139.4	81%	0.805	80%	0.796	S	S	*	*			cis	-139.1	173.2	2.8	35	-13.1	0	0	0	118.7
33	G	28.3	Very low	31.5	Very low	77 Å²	77	141.8 Å²	141.8	79%	0.794	79%	0.792	S	S	*	*			trans	150.4	109.7	152.8	0	0	0	0	0	118.4
34	L	28.2	Very low	31.3	Very low	171 Å²	171	140.2 Å²	140.2	90%	0.895	79%	0.785	S	S	*	*			trans	-76.8	-179.3	177.8	-95.8	116.4	0	0	0	115
35	P	43.1	Very low	31.2	Very low	115 Å²	115	141 Å²	141	75%	0.747	78%	0.784	S	S	*	*			cis	-135.2	172.7	-3	23.4	2.4	0	0	0	117.7
36	Q	31.9	Very low	31.2	Very low	176 Å²	176	137.7 Å²	137.7	82%	0.822	78%	0.783	S	S	*	*			trans	-59.7	-169.4	166.6	-81.9	-177.8	-6.4	0	0	116.4
37	P	43.4	Very low	31.3	Very low	95 Å²	95	141.2 Å²	141.2	62%	0.617	79%	0.788	S	S	*	*			cis	-141.3	177.2	-11.4	18.1	9.2	0	0	0	117.6
38	I	28.4	Very low	31.1	Very low	157 Å²	157	138.8 Å²	138.8	81%	0.805	78%	0.783	S	S	*	*			trans	62.6	130.6	145.3	-62.2	154.4	0	0	0	120.7
39	V	29.7	Very low	31	Very low	126 Å²	126	140.2 Å²	140.2	76%	0.764	78%	0.781	S	S	*	*			trans	150.2	120	131.5	172.3	0	0	0	0	112.2
40	M	25.6	Very low	30.9	Very low	148 Å²	148	140.6 Å²	140.6	73%	0.729	78%	0.783	S	S	*	*			trans	32.2	139.7	133.6	-129.7	160.9	86.6	0	0	124.1
41	E	27.6	Very low	30.9	Very low	163 Å²	163	137.1 Å²	137.1	76%	0.762	78%	0.78	S	S	*	*			trans	85.9	119.7	139.6	-103.7	174.6	177	0	0	122.7
42	A	28.2	Very low	30.9	Very low	84 Å²	84	134 Å²	134	69%	0.694	77%	0.772	S	S	*	*				79.1	149.8	128	0	0	0	0	0	123
43	L	27.3	Very low	30.2	Very low	158 Å²	158	135.5 Å²	135.5	83%	0.827	77%	0.768	S	S	*	*			trans	88.5	94.1	156	-79.6	135.5	0	0	0	119.7
44	D	28	Very low	30.3	Very low	146 Å²	146	141.9 Å²	141.9	78%	0.781	77%	0.768	S	S	*	*				55	148.5	102.3	-121.9	-9.4	0	0	0	122.6
45	E	29	Very low	30.6	Very low	174 Å²	174	142.2 Å²	142.2	81%	0.813	77%	0.765	S	S	*	*			trans	72.5	120.8	160.9	-65	-166.1	139.9	0	0	120.3
46	A	29.7	Very low	30.2	Very low	103 Å²	103	145 Å²	145	85%	0.851	77%	0.77	S	S	*	*				-168.1	117.8	116.3	0	0	0	0	0	111.2
47	E	31.2	Very low	31.1	Very low	194 Å²	194	141.6 Å²	141.6	91%	0.907	76%	0.763	S	S	*	*			trans	-67.5	163.2	164.9	-68.1	-178.9	128.9	0	0	112.8
48	G	27.9	Very low	31	Very low	69 Å²	69	143 Å²	143	71%	0.711	77%	0.772	S	S	*	*			trans	-156.8	86.7	166.2	0	0	0	0	0	113.4
49	L	28	Very low	31.5	Very low	144 Å²	144	141.2 Å²	141.2	75%	0.754	77%	0.771	S	S	*	*			trans	36.8	123.1	136.6	-82.3	95	0	0	0	119.9
50	Q	29.4	Very low	32	Very low	166 Å²	166	140.7 Å²	140.7	78%	0.776	77%	0.77	S	S	*	*				111.7	129.9	61.9	-94.3	-174.7	3	0	0	109.1
51	D	29	Very low	33.7	Very low	135 Å²	135	138.9 Å²	138.9	72%	0.722	77%	0.77	S	S	*	*				175.3	136.6	97.1	-140.7	-15.5	0	0	0	115.3
52	S	30.6	Very low	34.4	Very low	90 Å²	90	136.5 Å²	136.5	63%	0.629	77%	0.768	S	S	*	*			trans	50.7	142.4	145.6	-74.2	0	0	0	0	123.3
53	Q	29.3	Very low	34.5	Very low	155 Å²	155	137.9 Å²	137.9	72%	0.724	77%	0.773	S	S	*	*			cis	-173.1	158.8	9.2	-123.1	-173.9	17.2	0	0	113.1
54	R	31.9	Very low	35.3	Very low	210 Å²	210	136 Å²	136	79%	0.792	77%	0.77	S	S	*	*			trans	87.5	97.7	157.7	-71.6	175.9	-179.6	173.8	0.8	120.2
55	E	33.7	Very low	36.6	Very low	179 Å²	179	134.6 Å²	134.6	84%	0.836	77%	0.769	S	S	*	*				70.8	122.7	88.9	-82.1	-171.8	153.9	0	0	114.8
56	M	34.6	Very low	36.7	Very low	173 Å²	173	132.2 Å²	132.2	85%	0.852	77%	0.771	S	S	*	*				-167	172.2	60.7	-108.9	-138.8	-67.6	0	0	113.7
57	P	50.2	Low	36.9	Very low	105 Å²	105	134.8 Å²	134.8	68%	0.682	77%	0.771	S	S	*	*			trans	-104.5	178.1	-145.3	42.7	-37.7	0	0	0	116
58	P	41.8	Very low	37.6	Very low	123 Å²	123	131.4 Å²	131.4	80%	0.799	77%	0.766	S	S	*	*				-151.2	-165.5	98.5	48.7	-30	0	0	0	113.5
59	P	39.8	Very low	37.8	Very low	120 Å²	120	133 Å²	133	78%	0.779	77%	0.772	S	S	*	*				-111.8	-179.9	-127.6	18.9	9.3	0	0	0	115.2
60	P	39.7	Very low	38.2	Very low	116 Å²	116	135.4 Å²	135.4	75%	0.753	78%	0.78	S	S	*	*			trans	-106.1	-156.5	-169.2	37.9	-23.7	0	0	0	112.9
61	P	60.7	Low	38.2	Very low	110 Å²	110	137 Å²	137	71%	0.714	78%	0.784	S	S	*	*				-115.1	-172.9	-80.2	37.7	-19.6	0	0	0	109.9
62	P	41.6	Very low	38.5	Very low	112 Å²	112	135.9 Å²	135.9	73%	0.727	78%	0.784	S	S	*	*				-158.6	146.2	92.8	36.7	-13.9	0	0	0	115.5
63	S	32.3	Very low	38.7	Very low	114 Å²	114	137.3 Å²	137.3	80%	0.797	79%	0.791	S	S	*	*				85.7	149.5	96.7	-53.6	0	0	0	0	117.4
64	P	42.1	Very low	39.1	Very low	119 Å²	119	135.6 Å²	135.6	77%	0.773	79%	0.793	S	S	*	*			trans	-113.6	-154.9	-153	45.2	-29.5	0	0	0	111.8
65	P	55.9	Low	39.6	Very low	115 Å²	115	137.8 Å²	137.8	75%	0.747	80%	0.802	S	S	*	*				-116.4	172.1	-111.1	32.4	-11.5	0	0	0	114
66	S	30.5	Very low	39.7	Very low	125 Å²	125	132.8 Å²	132.8	87%	0.874	80%	0.798	S	S	*	*			trans	150.4	132.2	135	50	0	0	0	0	113.8
67	D	35.9	Very low	40.1	Very low	156 Å²	156	129 Å²	129	83%	0.834	79%	0.794	S	S	*	*			trans	-61.6	166.4	173.5	-92.5	-39.6	0	0	0	113.4
68	P	45.3	Very low	39.7	Very low	123 Å²	123	126.5 Å²	126.5	80%	0.799	79%	0.787	S	S	*	*			cis	-152.7	164.5	40.2	39	-16.8	0	0	0	119.1
69	A	31.1	Very low	39.8	Very low	102 Å²	102	124.9 Å²	124.9	84%	0.843	78%	0.779	S	S	*	*			trans	-163.6	134.8	143	0	0	0	0	0	112.9
70	Q	37.3	Very low	39.9	Very low	196 Å²	196	126.2 Å²	126.2	92%	0.916	77%	0.774	S	S	*	*			trans	-71.6	145.2	-169.8	-66.2	171.7	-18.5	0	0	116.2
71	K	29.5	Very low	40.3	Very low	199 Å²	199	123.9 Å²	123.9	87%	0.865	76%	0.761	S	S	*	*			trans	-152.8	151.4	145.1	-109.9	178.1	-178.5	175.5	0	110.3
72	P	34	Very low	39.7	Very low	111 Å²	111	124.9 Å²	124.9	72%	0.721	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-75	160.8	-156.4	31.1	-35	0	0	0	114.2
73	P	36.2	Very low	40.2	Very low	120 Å²	120	122.4 Å²	122.4	78%	0.779	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-76.5	144	-160.8	30.9	-34.3	0	0	0	112.6
74	P	37.2	Very low	41.2	Very low	120 Å²	120	121 Å²	121	78%	0.779	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-72.8	137.7	167.5	29.7	-29.7	0	0	0	110	G76	P74-G76 PolarHBondContact O-N 3.25Å
75	R	42	Very low	41.6	Very low	256 Å²	256	123.7 Å²	123.7	97%	0.966	73%	0.73	S	S	*	*			trans	-55.1	105.9	173	-83.5	176.5	169.9	173.1	-3.8	110
76	G	36.1	Very low	41.6	Very low	73 Å²	73	121.4 Å²	121.4	75%	0.753	72%	0.717	S	S	*	*			trans	-66	127.9	174.4	0	0	0	0	0	111.8	P74 G78	P74-G76 PolarHBondContact O-N 3.25Å; G76-G78 VanDerWaalsContact C-N 3.25Å; G76-G78 PolarHBondContact O-N 3.34Å
77	A	43	Very low	43	Very low	94 Å²	94	119.2 Å²	119.2	78%	0.777	70%	0.701	S	S	*	*			trans	-69.5	65.8	-178.8	0	0	0	0	0	113.4
78	G	41.3	Very low	44.1	Very low	52 Å²	52	117.1 Å²	117.1	54%	0.536	69%	0.69	S	S	.	*			trans	-94.2	-15.7	174.2	0	0	0	0	0	115	G76	G76-G78 VanDerWaalsContact C-N 3.25Å; G76-G78 PolarHBondContact O-N 3.34Å
79	S	43.7	Very low	44.7	Very low	90 Å²	90	115.7 Å²	115.7	63%	0.629	68%	0.681	S	S	*	*	H	α-helix	trans	-90	-30.8	-171.7	169.8	0	0	0	0	114.3	S81 A83	S79-S81 PolarHBondContact O-N 2.55Å; S79-A83 PolarHBondContact O-N 3.17Å
80	H	43.5	Very low	46.1	Very low	147 Å²	147	116.5 Å²	116.5	68%	0.681	67%	0.671	S	S	*	*	H	α-helix	trans	-74.7	-28	-175.9	-73.4	-77.7	0	0	0	114	V84	H80-V84 VanDerWaalsContact O-CG2 3.26Å; H80-V84 WeakPolarHBondContact O-CG2 3.35Å; H80-V84 PolarHBondContact O-N 3.48Å
81	S	47.6	Very low	47.3	Very low	67 Å²	67	113.1 Å²	113.1	47%	0.469	65%	0.653	S	S	.	*	H	α-helix	trans	-70.7	-36.1	179.1	-179.6	0	0	0	0	112.6	S79 R85	S79-S81 PolarHBondContact O-N 2.55Å; S81-R85 WeakPolarHBondContact O-CB 3.41Å; S81-R85 VanDerWaalsContact O-CG 3.31Å; S81-R85 WeakPolarHBondContact O-CG 3.34Å; S81-R85 PolarHBondContact O-N 3.06Å; S81-R85 VanDerWaalsContact O-N 3.16Å
82	L	48.3	Very low	48.9	Very low	131 Å²	131	106.4 Å²	106.4	69%	0.686	64%	0.635	S	S	*	*	H	α-helix	trans	-73.3	-39.1	177	-96.4	148	0	0	0	112.4	S86	L82-S86 WeakPolarHBondContact O-CB 2.96Å; L82-S86 PolarHBondContact O-N 3.21Å
83	A	52.2	Low	50.4	Low	60 Å²	60	103.5 Å²	103.5	50%	0.496	62%	0.62	S	S	.	*	H	α-helix	trans	-65.8	-40.9	176.8	0	0	0	0	0	112.3	S79 S86 S87	S79-A83 PolarHBondContact O-N 3.17Å; A83-S86 PolarHBondContact O-N 3Å; A83-S87 WeakPolarHBondContact O-CB 3.46Å; A83-S87 PolarHBondContact O-N 3.28Å
84	V	52.7	Low	51.9	Low	85 Å²	85	100.6 Å²	100.6	52%	0.515	60%	0.602	S	S	.	*	H	α-helix	trans	-69	-40.2	177.8	173.3	0	0	0	0	111.5	H80 S87 L88	H80-V84 VanDerWaalsContact O-CG2 3.26Å; H80-V84 WeakPolarHBondContact O-CG2 3.35Å; H80-V84 PolarHBondContact O-N 3.48Å; V84-S87 PolarHBondContact O-N 3.12Å; V84-L88 HydrophobicContact CG1-CD1 4.03Å; V84-L88 PolarHBondContact O-N 2.81Å
85	R	50.5	Low	53.5	Low	176 Å²	176	99 Å²	99	66%	0.664	59%	0.585	S	S	*	*	H	α-helix	trans	-65.2	-40	174.7	-75.7	177.8	177.8	-170.4	-0.7	112.6	S81 L88 C89	S81-R85 WeakPolarHBondContact O-CB 3.41Å; S81-R85 VanDerWaalsContact O-CG 3.31Å; S81-R85 WeakPolarHBondContact O-CG 3.34Å; S81-R85 PolarHBondContact O-N 3.06Å; S81-R85 VanDerWaalsContact O-N 3.16Å; R85-L88 PolarHBondContact O-N 3.38Å; R85-C89 PolarHBondContact O-N 3.15Å
86	S	56.5	Low	54.9	Low	67 Å²	67	93 Å²	93	47%	0.469	57%	0.566	S	S	.	*	H	α-helix	trans	-64.3	-41.5	174.7	-175.6	0	0	0	0	111.7	L82 A83 L88 C89 L90	L82-S86 WeakPolarHBondContact O-CB 2.96Å; L82-S86 PolarHBondContact O-N 3.21Å; A83-S86 PolarHBondContact O-N 3Å; S86-L88 PolarHBondContact O-N 3.35Å; S86-C89 PolarHBondContact O-N 2.96Å; S86-L90 WeakPolarHBondContact O-CG 3.24Å; S86-L90 PolarHBondContact O-N 3.09Å
87	S	58.7	Low	56.5	Low	79 Å²	79	95.5 Å²	95.5	55%	0.552	56%	0.561	S	S	*	*	H	α-helix	trans	-66.1	-35.6	176.9	-168.4	0	0	0	0	113.1	A83 V84 F91	A83-S87 WeakPolarHBondContact O-CB 3.46Å; A83-S87 PolarHBondContact O-N 3.28Å; V84-S87 PolarHBondContact O-N 3.12Å; S87-F91 WeakPolarHBondContact O-CB 3.49Å; S87-F91 PolarHBondContact O-N 3.43Å
88	L	59.8	Low	57.6	Low	112 Å²	112	96.1 Å²	96.1	59%	0.586	55%	0.551	S	S	*	*	H	α-helix	trans	-68.9	-40.8	174.3	-87.8	153.2	0	0	0	112.4	V84 R85 S86 F91 A92	V84-L88 HydrophobicContact CG1-CD1 4.03Å; V84-L88 PolarHBondContact O-N 2.81Å; R85-L88 PolarHBondContact O-N 3.38Å; S86-L88 PolarHBondContact O-N 3.35Å; L88-F91 PolarHBondContact O-N 3.03Å; L88-A92 WeakPolarHBondContact O-CB 3.39Å; L88-A92 PolarHBondContact O-N 2.52Å
89	C	57.8	Low	58.7	Low	92 Å²	92	96 Å²	96	62%	0.622	55%	0.545	S	S	*	.	H	α-helix	trans	-64.8	-40.7	174.7	-79	0	0	0	0	112.2	R85 S86 F91 A92 A93	R85-C89 PolarHBondContact O-N 3.15Å; S86-C89 PolarHBondContact O-N 2.96Å; C89-F91 VanDerWaalsContact C-N 3.34Å; C89-A92 PolarHBondContact O-N 3.19Å; C89-A93 WeakPolarHBondContact O-CB 3.48Å; C89-A93 PolarHBondContact O-N 3.37Å
90	L	60.2	Low	59.7	Low	119 Å²	119	93 Å²	93	62%	0.623	52%	0.523	S	S	*	.	H	α-helix	trans	-66.5	-37.1	175.8	-72.6	171.2	0	0	0	112	S86 S94	S86-L90 WeakPolarHBondContact O-CG 3.24Å; S86-L90 PolarHBondContact O-N 3.09Å; L90-S94 WeakPolarHBondContact O-CB 3.3Å; L90-S94 PolarHBondContact O-N 3.5Å
91	F	62.9	Low	60.7	Low	126 Å²	126	87.2 Å²	87.2	55%	0.553	50%	0.504	S	S	*	.	H	α-helix	trans	-65.2	-45.4	173.6	-173.5	-101.2	0	0	0	111.5	S87 L88 C89 A93 S94 Q95	S87-F91 WeakPolarHBondContact O-CB 3.49Å; S87-F91 PolarHBondContact O-N 3.43Å; L88-F91 PolarHBondContact O-N 3.03Å; C89-F91 VanDerWaalsContact C-N 3.34Å; F91-A93 PolarHBondContact O-N 3.33Å; F91-S94 WeakPolarHBondContact O-CB 3.28Å; F91-S94 PolarHBondContact O-N 3.4Å; F91-Q95 HydrophobicContact CD1-CG 4.18Å; F91-Q95 HydrophobicContact CE1-CG 3.85Å; F91-Q95 HydrophobicContact CZ-CG 4.08Å; F91-Q95 WeakPolarHBondContact O-CG 3.25Å; F91-Q95 PolarHBondContact O-N 3.27Å
92	A	62.7	Low	61.7	Low	58 Å²	58	88.5 Å²	88.5	48%	0.479	51%	0.509	S	S	.	.	H	α-helix	trans	-61.6	-42.7	176.2	0	0	0	0	0	112.3	L88 C89 S94 Q95 F96	L88-A92 WeakPolarHBondContact O-CB 3.39Å; L88-A92 PolarHBondContact O-N 2.52Å; C89-A92 PolarHBondContact O-N 3.19Å; A92-S94 VanDerWaalsContact C-N 3.33Å; A92-S94 PolarHBondContact O-N 2.8Å; A92-Q95 PolarHBondContact O-N 2.92Å; A92-F96 WeakPolarHBondContact O-CB 3.49Å; A92-F96 PolarHBondContact O-N 2.87Å
93	A	64.9	Low	62.1	Low	49 Å²	49	87.4 Å²	87.4	41%	0.405	50%	0.503	S	S	.	.	H	α-helix	trans	-63.2	-39.1	174.8	0	0	0	0	0	111.9	C89 F91 F96 L97	C89-A93 WeakPolarHBondContact O-CB 3.48Å; C89-A93 PolarHBondContact O-N 3.37Å; F91-A93 PolarHBondContact O-N 3.33Å; A93-F96 PolarHBondContact O-N 3.11Å; A93-L97 WeakPolarHBondContact O-CB 3.42Å; A93-L97 WeakPolarHBondContact O-CG 3.32Å; A93-L97 PolarHBondContact O-N 3.33Å
94	S	68.4	Low	62.5	Low	59 Å²	59	91 Å²	91	41%	0.413	50%	0.504	S	S	.	.	H	α-helix	trans	-65.1	-41.5	175.1	178.8	0	0	0	0	112.3	L90 F91 A92 L98	L90-S94 WeakPolarHBondContact O-CB 3.3Å; L90-S94 PolarHBondContact O-N 3.5Å; F91-S94 WeakPolarHBondContact O-CB 3.28Å; F91-S94 PolarHBondContact O-N 3.4Å; A92-S94 VanDerWaalsContact C-N 3.33Å; A92-S94 PolarHBondContact O-N 2.8Å; S94-L98 WeakPolarHBondContact O-CB 3.38Å; S94-L98 PolarHBondContact O-N 3.35Å
95	Q	70.8	Confident	62.6	Low	88 Å²	88	94.8 Å²	94.8	41%	0.411	51%	0.514	S	S	.	.	H	α-helix	trans	-67.6	-37.8	177.1	-65.2	-53.5	-38.8	0	0	111.6	F91 A92 L98 A99	F91-Q95 HydrophobicContact CD1-CG 4.18Å; F91-Q95 HydrophobicContact CE1-CG 3.85Å; F91-Q95 HydrophobicContact CZ-CG 4.08Å; F91-Q95 WeakPolarHBondContact O-CG 3.25Å; F91-Q95 PolarHBondContact O-N 3.27Å; A92-Q95 PolarHBondContact O-N 2.92Å; Q95-L98 PolarHBondContact O-N 3.06Å; Q95-A99 WeakPolarHBondContact O-CB 3.47Å; Q95-A99 PolarHBondContact O-N 3.42Å
96	F	70.9	Confident	62.8	Low	129 Å²	129	89.4 Å²	89.4	57%	0.566	50%	0.503	S	S	*	.	H	α-helix	trans	-64.1	-46	175.5	-174	-98.7	0	0	0	111.9	A92 A93 L98 A99 C100	A92-F96 WeakPolarHBondContact O-CB 3.49Å; A92-F96 PolarHBondContact O-N 2.87Å; A93-F96 PolarHBondContact O-N 3.11Å; F96-L98 VanDerWaalsContact C-N 3.3Å; F96-L98 PolarHBondContact O-N 2.84Å; F96-A99 PolarHBondContact O-N 3.29Å; F96-C100 PolarHBondContact O-N 3.35Å; F96-C100 PolarHBondContact O-SG 2.86Å; F96-C100 VanDerWaalsContact O-SG 3.35Å
97	L	69.1	Low	62.9	Low	125 Å²	125	89.7 Å²	89.7	65%	0.654	52%	0.516	S	S	*	.	H	α-helix	trans	-63.6	-36.2	175.4	-72.8	172.3	0	0	0	112.3	A93 C100 G101	A93-L97 WeakPolarHBondContact O-CB 3.42Å; A93-L97 WeakPolarHBondContact O-CG 3.32Å; A93-L97 PolarHBondContact O-N 3.33Å; L97-C100 PolarHBondContact O-N 2.86Å; L97-G101 PolarHBondContact O-N 2.83Å
98	L	68	Low	62.6	Low	107 Å²	107	93.9 Å²	93.9	56%	0.56	52%	0.521	S	S	*	.	H	α-helix	trans	-64.9	-43.9	175.1	-149.3	102.1	0	0	0	111.1	S94 Q95 F96 G101 V102	S94-L98 WeakPolarHBondContact O-CB 3.38Å; S94-L98 PolarHBondContact O-N 3.35Å; Q95-L98 PolarHBondContact O-N 3.06Å; F96-L98 VanDerWaalsContact C-N 3.3Å; F96-L98 PolarHBondContact O-N 2.84Å; L98-G101 PolarHBondContact O-N 2.92Å; L98-V102 WeakPolarHBondContact O-CG2 3.37Å; L98-V102 PolarHBondContact O-N 3.09Å
99	A	64.4	Low	62.4	Low	49 Å²	49	89.5 Å²	89.5	41%	0.405	50%	0.503	S	S	.	.	H	α-helix	trans	-63.2	-42.5	175.9	0	0	0	0	0	112	Q95 F96 G101 V102 L103	Q95-A99 WeakPolarHBondContact O-CB 3.47Å; Q95-A99 PolarHBondContact O-N 3.42Å; F96-A99 PolarHBondContact O-N 3.29Å; A99-G101 VanDerWaalsContact C-N 3.34Å; A99-G101 PolarHBondContact O-N 2.82Å; A99-V102 PolarHBondContact O-N 3.38Å; A99-L103 WeakPolarHBondContact O-CB 3.3Å; A99-L103 VanDerWaalsContact O-CG 3.31Å; A99-L103 WeakPolarHBondContact O-CG 3.49Å; A99-L103 PolarHBondContact O-N 3.08Å
100	C	64.5	Low	62.2	Low	27 Å²	27	93.7 Å²	93.7	18%	0.182	51%	0.513	C	S	.	.	H	α-helix	trans	-61.7	-41	172.9	-69.7	0	0	0	0	112	F96 L97 L103 W104	F96-C100 PolarHBondContact O-N 3.35Å; F96-C100 PolarHBondContact O-SG 2.86Å; F96-C100 VanDerWaalsContact O-SG 3.35Å; L97-C100 PolarHBondContact O-N 2.86Å; C100-L103 PolarHBondContact O-N 3.16Å; C100-W104 WeakPolarHBondContact O-CB 3.4Å; C100-W104 PolarHBondContact O-N 2.97Å
101	G	64.8	Low	61.8	Low	27 Å²	27	93 Å²	93	28%	0.278	51%	0.513	S	S	.	.	H	α-helix	trans	-62.3	-47	175.2	0	0	0	0	0	112.3	L97 L98 A99 L103 W104 F105	L97-G101 PolarHBondContact O-N 2.83Å; L98-G101 PolarHBondContact O-N 2.92Å; A99-G101 VanDerWaalsContact C-N 3.34Å; A99-G101 PolarHBondContact O-N 2.82Å; G101-L103 VanDerWaalsContact C-N 3.34Å; G101-L103 PolarHBondContact O-N 2.98Å; G101-W104 WeakPolarHBondContact O-CB 3.38Å; G101-W104 PolarHBondContact O-N 3.15Å; G101-F105 WeakPolarHBondContact O-CD2 3.1Å; G101-F105 PolarHBondContact O-N 3.45Å
102	V	67.8	Low	61.2	Low	93 Å²	93	92 Å²	92	56%	0.564	51%	0.506	S	S	*	.	H	α-helix	trans	-61.4	-42.8	177.3	172.5	0	0	0	0	111.3	L98 A99 W104 F105 S106	L98-V102 WeakPolarHBondContact O-CG2 3.37Å; L98-V102 PolarHBondContact O-N 3.09Å; A99-V102 PolarHBondContact O-N 3.38Å; V102-W104 VanDerWaalsContact C-N 3.34Å; V102-W104 PolarHBondContact O-N 2.84Å; V102-F105 PolarHBondContact O-N 3.11Å; V102-S106 WeakPolarHBondContact O-CB 3.32Å; V102-S106 PolarHBondContact O-N 3.23Å
103	L	55.9	Low	60.8	Low	109 Å²	109	92 Å²	92	57%	0.571	51%	0.506	S	S	*	.	H	α-helix	trans	-64.5	-38.3	175.7	-72.6	168.4	0	0	0	111.9	A99 C100 G101 S106	A99-L103 WeakPolarHBondContact O-CB 3.3Å; A99-L103 VanDerWaalsContact O-CG 3.31Å; A99-L103 WeakPolarHBondContact O-CG 3.49Å; A99-L103 PolarHBondContact O-N 3.08Å; C100-L103 PolarHBondContact O-N 3.16Å; G101-L103 VanDerWaalsContact C-N 3.34Å; G101-L103 PolarHBondContact O-N 2.98Å; L103-S106 WeakPolarHBondContact CA-OG 3.06Å; L103-S106 PolarHBondContact O-N 3.01Å; L103-S106 PolarHBondContact O-OG 3.01Å
104	W	60.9	Low	60.2	Low	135 Å²	135	97.3 Å²	97.3	51%	0.511	52%	0.523	S	S	.	.	H	α-helix	trans	-65.5	-40.1	174.8	-168.9	-85.1	0	0	0	112.4	C100 G101 V102 S106 W112	C100-W104 WeakPolarHBondContact O-CB 3.4Å; C100-W104 PolarHBondContact O-N 2.97Å; G101-W104 WeakPolarHBondContact O-CB 3.38Å; G101-W104 PolarHBondContact O-N 3.15Å; V102-W104 VanDerWaalsContact C-N 3.34Å; V102-W104 PolarHBondContact O-N 2.84Å; W104-S106 VanDerWaalsContact C-N 3.31Å; W104-S106 PolarHBondContact O-N 3.14Å; W104-W112 HydrophobicContact CE3-CB 4.45Å; W104-W112 HydrophobicContact CE3-CD2 4.47Å; W104-W112 AromaticContact CE3-CE3 3.76Å; W104-W112 HydrophobicContact CE3-CE3 3.76Å; W104-W112 HydrophobicContact CE3-CZ3 4.41Å; W104-W112 HydrophobicContact CZ3-CB 4.21Å; W104-W112 HydrophobicContact CZ3-CD2 4.45Å; W104-W112 AromaticContact CZ3-CE3 3.61Å; W104-W112 HydrophobicContact CZ3-CE3 3.61Å; W104-W112 HydrophobicContact CZ3-CZ3 4.39Å
105	F	54.6	Low	59.5	Low	165 Å²	165	99 Å²	99	72%	0.724	53%	0.527	S	S	*	.	H	α-helix	trans	-73.3	-18.6	175.3	-82.5	-72.5	0	0	0	113.7	G101 V102 G107	G101-F105 WeakPolarHBondContact O-CD2 3.1Å; G101-F105 PolarHBondContact O-N 3.45Å; V102-F105 PolarHBondContact O-N 3.11Å; F105-G107 PolarHBondContact O-N 3.38Å
106	S	54.7	Low	58.6	Low	63 Å²	63	95.8 Å²	95.8	44%	0.441	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	7.9	-179.3	72.8	0	0	0	0	115.4	V102 L103 W104	V102-S106 WeakPolarHBondContact O-CB 3.32Å; V102-S106 PolarHBondContact O-N 3.23Å; L103-S106 WeakPolarHBondContact CA-OG 3.06Å; L103-S106 PolarHBondContact O-N 3.01Å; L103-S106 PolarHBondContact O-OG 3.01Å; W104-S106 VanDerWaalsContact C-N 3.31Å; W104-S106 PolarHBondContact O-N 3.14Å
107	G	58.4	Low	57.9	Low	72 Å²	72	94 Å²	94	74%	0.742	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.1	0.6	175.1	0	0	0	0	0	115.5	F105 G109	F105-G107 PolarHBondContact O-N 3.38Å; G107-G109 VanDerWaalsContact C-N 3.3Å; G107-G109 PolarHBondContact O-N 3.33Å
108	Y	52.2	Low	57.2	Low	168 Å²	168	93 Å²	93	66%	0.659	51%	0.511	S	S	*	.			trans	-86.6	16.5	175.8	-80.8	-87.5	0	0	0	114.4	H110 V111	Y108-H110 VanDerWaalsContact C-N 3.26Å; Y108-H110 PolarHBondContact O-N 2.69Å; Y108-V111 PolarHBondContact O-N 2.84Å
109	G	56	Low	56.5	Low	20 Å²	20	91.6 Å²	91.6	21%	0.206	50%	0.504	C	S	.	.	H	α-helix	trans	-61.9	-25.5	-173.2	0	0	0	0	0	115.4	G107 V111 W112 A113	G107-G109 VanDerWaalsContact C-N 3.3Å; G107-G109 PolarHBondContact O-N 3.33Å; G109-V111 PolarHBondContact O-N 3.37Å; G109-W112 PolarHBondContact O-N 3.39Å; G109-A113 PolarHBondContact O-N 3Å
110	H	54	Low	56.1	Low	180 Å²	180	93.7 Å²	93.7	83%	0.833	51%	0.511	S	S	*	.	H	α-helix	trans	-72.2	-30.2	-176.1	-155.3	-88.6	0	0	0	113.2	Y108	Y108-H110 VanDerWaalsContact C-N 3.26Å; Y108-H110 PolarHBondContact O-N 2.69Å
111	V	52.5	Low	55.7	Low	103 Å²	103	95.6 Å²	95.6	62%	0.624	53%	0.525	S	S	*	.	H	α-helix	trans	-78.5	-24	178.8	179.8	0	0	0	0	111.6	Y108 G109	Y108-V111 PolarHBondContact O-N 2.84Å; G109-V111 PolarHBondContact O-N 3.37Å
112	W	49.3	Very low	55.4	Low	105 Å²	105	97.8 Å²	97.8	40%	0.398	54%	0.536	S	S	.	.	H	α-helix	trans	-88	-22.4	-175.4	-146.5	69.9	0	0	0	113.8	W104 G109 Q114 N115 A116	W104-W112 HydrophobicContact CE3-CB 4.45Å; W104-W112 HydrophobicContact CE3-CD2 4.47Å; W104-W112 AromaticContact CE3-CE3 3.76Å; W104-W112 HydrophobicContact CE3-CE3 3.76Å; W104-W112 HydrophobicContact CE3-CZ3 4.41Å; W104-W112 HydrophobicContact CZ3-CB 4.21Å; W104-W112 HydrophobicContact CZ3-CD2 4.45Å; W104-W112 AromaticContact CZ3-CE3 3.61Å; W104-W112 HydrophobicContact CZ3-CE3 3.61Å; W104-W112 HydrophobicContact CZ3-CZ3 4.39Å; G109-W112 PolarHBondContact O-N 3.39Å; W112-Q114 VanDerWaalsContact C-N 3.27Å; W112-Q114 PolarHBondContact O-N 3.18Å; W112-N115 PolarHBondContact O-N 3.22Å; W112-A116 HydrophobicContact CE3-CB 3.99Å; W112-A116 HydrophobicContact CZ3-CB 4.2Å; W112-A116 VanDerWaalsContact O-CB 3.28Å; W112-A116 WeakPolarHBondContact O-CB 3.07Å; W112-A116 PolarHBondContact O-N 3.34Å
113	A	54	Low	54.4	Low	58 Å²	58	97.7 Å²	97.7	48%	0.479	53%	0.531	S	S	.	.	H	α-helix	trans	-61	-34.2	179.4	0	0	0	0	0	113.1	G109	G109-A113 PolarHBondContact O-N 3Å
114	Q	52.3	Low	54.3	Low	161 Å²	161	97.2 Å²	97.2	75%	0.752	53%	0.529	S	S	*	.	H	α-helix	trans	-76.2	-28.3	178.7	-116.5	167.5	-8.8	0	0	113.3	W112 T117	W112-Q114 VanDerWaalsContact C-N 3.27Å; W112-Q114 PolarHBondContact O-N 3.18Å; Q114-T117 PolarHBondContact O-OG1 2.82Å
115	N	54.7	Low	54.2	Low	94 Å²	94	94.4 Å²	94.4	50%	0.503	53%	0.527	S	S	.	.	H	α-helix	trans	-94.4	-19.6	179.9	-74	-24.6	0	0	0	113.5	W112 T117 N118 L119	W112-N115 PolarHBondContact O-N 3.22Å; N115-T117 VanDerWaalsContact C-N 3.32Å; N115-T117 PolarHBondContact O-N 3.23Å; N115-N118 PolarHBondContact O-N 3.19Å; N115-L119 PolarHBondContact O-N 2.99Å
116	A	52.7	Low	53.9	Low	21 Å²	21	91.3 Å²	91.3	17%	0.174	52%	0.517	C	S	.	.	H	α-helix	trans	-66.1	-31.5	179.1	0	0	0	0	0	112.9	W112 L119 V120	W112-A116 HydrophobicContact CE3-CB 3.99Å; W112-A116 HydrophobicContact CZ3-CB 4.2Å; W112-A116 VanDerWaalsContact O-CB 3.28Å; W112-A116 WeakPolarHBondContact O-CB 3.07Å; W112-A116 PolarHBondContact O-N 3.34Å; A116-L119 PolarHBondContact O-N 3.25Å; A116-V120 VanDerWaalsContact O-CB 3.31Å; A116-V120 WeakPolarHBondContact O-CB 3.4Å; A116-V120 WeakPolarHBondContact O-CG2 3.5Å; A116-V120 PolarHBondContact O-N 3.08Å
117	T	54.8	Low	53.7	Low	92 Å²	92	94 Å²	94	56%	0.564	53%	0.526	S	S	*	.	H	α-helix	trans	-65.5	-41.2	177.9	52.2	0	0	0	0	111.9	Q114 N115 S121	Q114-T117 PolarHBondContact O-OG1 2.82Å; N115-T117 VanDerWaalsContact C-N 3.32Å; N115-T117 PolarHBondContact O-N 3.23Å; T117-S121 VanDerWaalsContact O-CB 3.3Å; T117-S121 WeakPolarHBondContact O-CB 3.39Å; T117-S121 PolarHBondContact O-N 3.49Å
118	N	55.5	Low	53.5	Low	105 Å²	105	98.3 Å²	98.3	56%	0.561	52%	0.524	S	S	*	.	H	α-helix	trans	-67.7	-40.4	175.5	-71.1	-28.8	0	0	0	111.4	N115 S121 S122	N115-N118 PolarHBondContact O-N 3.19Å; N118-S121 PolarHBondContact O-N 2.87Å; N118-S122 PolarHBondContact O-N 3.46Å; N118-S122 PolarHBondContact O-OG 2.98Å; N118-S122 VanDerWaalsContact O-OG 3.1Å
119	L	52.1	Low	53.3	Low	77 Å²	77	98.1 Å²	98.1	40%	0.403	53%	0.53	S	S	.	.	H	α-helix	trans	-70.6	-38.7	-179.4	-146.2	132.6	0	0	0	112.2	N115 A116 S122 L123	N115-L119 PolarHBondContact O-N 2.99Å; A116-L119 PolarHBondContact O-N 3.25Å; L119-S122 PolarHBondContact O-N 2.87Å; L119-L123 HydrophobicContact CD2-CD1 4.04Å; L119-L123 WeakPolarHBondContact O-CB 3.41Å; L119-L123 PolarHBondContact O-N 3.25Å
120	V	57.7	Low	52.9	Low	92 Å²	92	103.5 Å²	103.5	56%	0.558	55%	0.553	S	S	*	*	H	α-helix	trans	-67.3	-39.8	172.6	171.3	0	0	0	0	110.8	A116 L123 L124	A116-V120 VanDerWaalsContact O-CB 3.31Å; A116-V120 WeakPolarHBondContact O-CB 3.4Å; A116-V120 WeakPolarHBondContact O-CG2 3.5Å; A116-V120 PolarHBondContact O-N 3.08Å; V120-L123 PolarHBondContact O-N 3.47Å; V120-L124 VanDerWaalsContact O-CB 3.29Å; V120-L124 WeakPolarHBondContact O-CB 3.44Å; V120-L124 PolarHBondContact O-N 3.41Å
121	S	55.8	Low	52.1	Low	68 Å²	68	96.1 Å²	96.1	48%	0.476	53%	0.526	S	S	.	.	H	α-helix	trans	-61.1	-46.6	173.7	-173.9	0	0	0	0	111.4	T117 N118 L123 L124 T125	T117-S121 VanDerWaalsContact O-CB 3.3Å; T117-S121 WeakPolarHBondContact O-CB 3.39Å; T117-S121 PolarHBondContact O-N 3.49Å; N118-S121 PolarHBondContact O-N 2.87Å; S121-L123 PolarHBondContact O-N 3.5Å; S121-L124 PolarHBondContact O-N 3.47Å; S121-T125 WeakPolarHBondContact O-CG2 3.25Å; S121-T125 PolarHBondContact O-N 2.88Å; S121-T125 PolarHBondContact O-OG1 3.48Å
122	S	57.3	Low	51.7	Low	73 Å²	73	96.8 Å²	96.8	51%	0.51	53%	0.532	S	S	.	.	H	α-helix	trans	-62.5	-42	176.3	-63.3	0	0	0	0	112.7	N118 L119 T125 L126	N118-S122 PolarHBondContact O-N 3.46Å; N118-S122 PolarHBondContact O-OG 2.98Å; N118-S122 VanDerWaalsContact O-OG 3.1Å; L119-S122 PolarHBondContact O-N 2.87Å; S122-T125 VanDerWaalsContact C-OG1 3.32Å; S122-T125 VanDerWaalsContact CA-OG1 3.28Å; S122-T125 WeakPolarHBondContact CA-OG1 3.16Å; S122-T125 PolarHBondContact O-N 3.35Å; S122-T125 PolarHBondContact O-OG1 3.15Å; S122-L126 WeakPolarHBondContact O-CB 3.26Å; S122-L126 PolarHBondContact O-N 2.82Å
123	L	48.1	Very low	51.3	Low	90 Å²	90	98.4 Å²	98.4	47%	0.471	55%	0.554	S	S	.	*	H	α-helix	trans	-64.7	-38.6	174.2	-103.9	146.8	0	0	0	112.4	L119 V120 S121 L126 L127	L119-L123 HydrophobicContact CD2-CD1 4.04Å; L119-L123 WeakPolarHBondContact O-CB 3.41Å; L119-L123 PolarHBondContact O-N 3.25Å; V120-L123 PolarHBondContact O-N 3.47Å; S121-L123 PolarHBondContact O-N 3.5Å; L123-L126 WeakPolarHBondContact O-CB 3.39Å; L123-L126 PolarHBondContact O-N 2.69Å; L123-L127 WeakPolarHBondContact O-CB 3.36Å; L123-L127 PolarHBondContact O-N 3.43Å
124	L	53.9	Low	50.9	Low	99 Å²	99	99.6 Å²	99.6	52%	0.518	56%	0.564	S	S	.	*	H	α-helix	trans	-69.8	-34.7	176.7	-152	81.5	0	0	0	111.5	V120 S121 K128	V120-L124 VanDerWaalsContact O-CB 3.29Å; V120-L124 WeakPolarHBondContact O-CB 3.44Å; V120-L124 PolarHBondContact O-N 3.41Å; S121-L124 PolarHBondContact O-N 3.47Å; L124-K128 WeakPolarHBondContact O-CB 3.45Å; L124-K128 WeakPolarHBondContact O-CG 3.3Å; L124-K128 PolarHBondContact O-N 3.1Å
125	T	57.6	Low	50.6	Low	77 Å²	77	103.1 Å²	103.1	47%	0.472	57%	0.57	S	S	.	*	H	α-helix	trans	-68.4	-36.3	171.9	54.8	0	0	0	0	112.1	S121 S122 K128 Q129	S121-T125 WeakPolarHBondContact O-CG2 3.25Å; S121-T125 PolarHBondContact O-N 2.88Å; S121-T125 PolarHBondContact O-OG1 3.48Å; S122-T125 VanDerWaalsContact C-OG1 3.32Å; S122-T125 VanDerWaalsContact CA-OG1 3.28Å; S122-T125 WeakPolarHBondContact CA-OG1 3.16Å; S122-T125 PolarHBondContact O-N 3.35Å; S122-T125 PolarHBondContact O-OG1 3.15Å; T125-K128 PolarHBondContact O-N 3.49Å; T125-Q129 PolarHBondContact O-N 2.96Å
126	L	49.1	Very low	50.2	Low	99 Å²	99	106.2 Å²	106.2	52%	0.518	59%	0.586	S	S	.	*	H	α-helix	trans	-67.1	-42.7	174.6	-161.5	80.5	0	0	0	111.1	S122 L123 K128 Q129 L130	S122-L126 WeakPolarHBondContact O-CB 3.26Å; S122-L126 PolarHBondContact O-N 2.82Å; L123-L126 WeakPolarHBondContact O-CB 3.39Å; L123-L126 PolarHBondContact O-N 2.69Å; L126-K128 VanDerWaalsContact C-N 3.32Å; L126-K128 PolarHBondContact O-N 3.3Å; L126-Q129 PolarHBondContact O-N 3.46Å; L126-L130 VanDerWaalsContact O-CD1 3.28Å; L126-L130 WeakPolarHBondContact O-CD1 3.47Å; L126-L130 PolarHBondContact O-N 3.46Å
127	L	50.8	Low	49.4	Very low	119 Å²	119	112.6 Å²	112.6	62%	0.623	62%	0.617	S	S	*	*	H	α-helix	trans	-65.8	-31.6	173.9	-105.4	132.4	0	0	0	112.9	L123	L123-L127 WeakPolarHBondContact O-CB 3.36Å; L123-L127 PolarHBondContact O-N 3.43Å
128	K	52.3	Low	48.7	Very low	163 Å²	163	113 Å²	113	71%	0.709	62%	0.624	S	S	*	*	H	α-helix	trans	-74.7	-31.3	172.1	-79.8	-179.3	178.2	-179.7	0	112.9	L124 T125 L126	L124-K128 WeakPolarHBondContact O-CB 3.45Å; L124-K128 WeakPolarHBondContact O-CG 3.3Å; L124-K128 PolarHBondContact O-N 3.1Å; T125-K128 PolarHBondContact O-N 3.49Å; L126-K128 VanDerWaalsContact C-N 3.32Å; L126-K128 PolarHBondContact O-N 3.3Å
129	Q	49	Very low	48.5	Very low	165 Å²	165	111.6 Å²	111.6	77%	0.771	63%	0.634	S	S	*	*	H	α-helix	trans	-71.5	-29.5	174.2	-84.2	-172.6	-15.3	0	0	112.5	T125 L126 G131	T125-Q129 PolarHBondContact O-N 2.96Å; L126-Q129 PolarHBondContact O-N 3.46Å; Q129-G131 PolarHBondContact O-N 3.46Å
130	L	46.9	Very low	48.5	Very low	132 Å²	132	114.5 Å²	114.5	69%	0.691	66%	0.655	S	S	*	*	S	Bend	trans	-76.6	72.2	161.3	-82	94	0	0	0	109.6	L126	L126-L130 VanDerWaalsContact O-CD1 3.28Å; L126-L130 WeakPolarHBondContact O-CD1 3.47Å; L126-L130 PolarHBondContact O-N 3.46Å
131	G	37.1	Very low	47.9	Very low	26 Å²	26	120.6 Å²	120.6	27%	0.268	67%	0.668	S	S	.	*			trans	-58	168.2	-178.8	0	0	0	0	0	114.6	Q129 T133	Q129-G131 PolarHBondContact O-N 3.46Å; G131-T133 PolarHBondContact O-N 2.82Å
132	P	45.8	Very low	47.5	Very low	116 Å²	116	119.1 Å²	119.1	75%	0.753	66%	0.664	S	S	*	*	G	3₁₀ helix	trans	-67.4	12.4	-170.2	-16.1	30.2	0	0	0	116
133	T	40.6	Very low	47.3	Very low	140 Å²	140	120.8 Å²	120.8	86%	0.859	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-92.2	-1.6	-175.7	48.3	0	0	0	0	113.8	G131	G131-T133 PolarHBondContact O-N 2.82Å
134	A	44.8	Very low	47.6	Very low	83 Å²	83	120.7 Å²	120.7	69%	0.686	68%	0.675	S	S	*	*	G	3₁₀ helix	trans	-102	6.6	172.9	0	0	0	0	0	114.1
135	W	46.3	Very low	47.6	Very low	235 Å²	235	118.8 Å²	118.8	89%	0.89	67%	0.67	S	S	*	*	S	Bend	trans	-107.1	-1.6	-175.6	-84.1	57.7	0	0	0	114.3
136	L	45.3	Very low	47.4	Very low	158 Å²	158	121.2 Å²	121.2	83%	0.827	68%	0.68	S	S	*	*	S	Bend	trans	-140.1	51.1	-175.2	-97.9	144.6	0	0	0	111.2
137	D	35.8	Very low	47.7	Very low	155 Å²	155	120.8 Å²	120.8	83%	0.829	68%	0.678	S	S	*	*	S	Bend	trans	-165	148.5	138.4	-132.3	-19	0	0	0	112.8
138	S	40.9	Very low	48.1	Very low	102 Å²	102	121.1 Å²	121.1	71%	0.713	68%	0.679	S	S	*	*			trans	75.6	88.3	-178.5	76	0	0	0	0	116.2	T140	S138-T140 PolarHBondContact O-N 3.11Å
139	G	52.1	Low	48.5	Very low	74 Å²	74	117.9 Å²	117.9	76%	0.763	67%	0.673	S	S	*	*			trans	-59.8	127.6	168.2	0	0	0	0	0	112.3
140	T	52.4	Low	49	Very low	139 Å²	139	113.2 Å²	113.2	85%	0.853	66%	0.659	S	S	*	*			trans	168.1	51.7	144.9	33.4	0	0	0	0	108.9	S138 G142	S138-T140 PolarHBondContact O-N 3.11Å; T140-G142 PolarHBondContact O-N 3.34Å
141	W	43.9	Very low	49.8	Very low	220 Å²	220	112.9 Å²	112.9	83%	0.833	66%	0.657	S	S	*	*			trans	-83.7	98.5	159.3	-79.6	53.8	0	0	0	106.2	V143	W141-V143 PolarHBondContact O-N 2.9Å
142	G	47.6	Very low	50.9	Low	37 Å²	37	114.7 Å²	114.7	38%	0.381	67%	0.666	S	S	.	*			trans	-53	141.4	-178.3	0	0	0	0	0	110.7	T140 P144 S145	T140-G142 PolarHBondContact O-N 3.34Å; G142-P144 WeakPolarHBondContact O-CD 3.3Å; G142-S145 PolarHBondContact O-N 3.12Å
143	V	54	Low	51.7	Low	108 Å²	108	113.7 Å²	113.7	66%	0.655	65%	0.652	S	S	*	*	H	α-helix	trans	-35.5	-32	165.7	-176.7	0	0	0	0	114.4	W141 S145 L147	W141-V143 PolarHBondContact O-N 2.9Å; V143-S145 PolarHBondContact O-N 3.21Å; V143-L147 HydrophobicContact CG1-CD1 3.87Å; V143-L147 HydrophobicContact CG1-CG 4.49Å; V143-L147 WeakPolarHBondContact O-CG 3.35Å; V143-L147 PolarHBondContact O-N 3.29Å; V143-L147 VanDerWaalsContact O-N 3.16Å
144	P	52.9	Low	52.9	Low	88 Å²	88	108.4 Å²	108.4	57%	0.571	63%	0.626	S	S	*	*	H	α-helix	trans	-61.6	-34.1	175.7	-25.5	36.6	0	0	0	115.5	G142 L147 L148	G142-P144 WeakPolarHBondContact O-CD 3.3Å; P144-L147 PolarHBondContact O-N 3.28Å; P144-L148 WeakPolarHBondContact O-CB 3.31Å; P144-L148 PolarHBondContact O-N 3.38Å
145	S	54.8	Low	54	Low	59 Å²	59	110.2 Å²	110.2	41%	0.413	62%	0.623	S	S	.	*	H	α-helix	trans	-74.4	-37.5	-176.1	-54.7	0	0	0	0	112	G142 V143 L148 V149	G142-S145 PolarHBondContact O-N 3.12Å; V143-S145 PolarHBondContact O-N 3.21Å; S145-L148 PolarHBondContact O-N 3.23Å; S145-V149 WeakPolarHBondContact O-CG2 3.46Å; S145-V149 PolarHBondContact O-N 3.11Å; S145-V149 VanDerWaalsContact O-N 3.14Å
146	L	53.8	Low	55	Low	127 Å²	127	103 Å²	103	67%	0.665	60%	0.604	S	S	*	*	H	α-helix	trans	-68.8	-35.7	173.1	-96.6	144.5	0	0	0	112	S150	L146-S150 WeakPolarHBondContact O-CB 3.47Å; L146-S150 PolarHBondContact O-N 2.66Å; L146-S150 PolarHBondContact O-OG 2.86Å
147	L	54.8	Low	55.7	Low	91 Å²	91	100.5 Å²	100.5	48%	0.476	59%	0.591	S	S	.	*	H	α-helix	trans	-66.4	-38.8	172.8	-82.9	164.5	0	0	0	112.5	V143 P144 S150 L151	V143-L147 HydrophobicContact CG1-CD1 3.87Å; V143-L147 HydrophobicContact CG1-CG 4.49Å; V143-L147 WeakPolarHBondContact O-CG 3.35Å; V143-L147 PolarHBondContact O-N 3.29Å; V143-L147 VanDerWaalsContact O-N 3.16Å; P144-L147 PolarHBondContact O-N 3.28Å; L147-S150 PolarHBondContact O-N 3.26Å; L147-S150 PolarHBondContact O-OG 3.39Å; L147-S150 VanDerWaalsContact O-OG 3.05Å; L147-L151 VanDerWaalsContact O-CB 3.27Å; L147-L151 WeakPolarHBondContact O-CB 3.4Å; L147-L151 WeakPolarHBondContact O-CD1 3.23Å; L147-L151 PolarHBondContact O-N 2.89Å
148	L	58.4	Low	57.4	Low	125 Å²	125	97.2 Å²	97.2	65%	0.654	58%	0.577	S	S	*	*	H	α-helix	trans	-66.4	-41.6	177.3	-112.9	136	0	0	0	111.9	P144 S145 S152	P144-L148 WeakPolarHBondContact O-CB 3.31Å; P144-L148 PolarHBondContact O-N 3.38Å; S145-L148 PolarHBondContact O-N 3.23Å; L148-S152 WeakPolarHBondContact O-CB 3.5Å; L148-S152 PolarHBondContact O-N 3Å; L148-S152 PolarHBondContact O-OG 3.33Å
149	V	60.7	Low	58.3	Low	95 Å²	95	96 Å²	96	58%	0.576	57%	0.565	S	S	*	*	H	α-helix	trans	-65.6	-43.9	175.3	175	0	0	0	0	110.5	S145 S152 M153	S145-V149 WeakPolarHBondContact O-CG2 3.46Å; S145-V149 PolarHBondContact O-N 3.11Å; S145-V149 VanDerWaalsContact O-N 3.14Å; V149-S152 PolarHBondContact O-N 3.35Å; V149-S152 PolarHBondContact O-OG 2.91Å; V149-M153 PolarHBondContact O-N 3.21Å
150	S	60.4	Low	58.7	Low	68 Å²	68	95.8 Å²	95.8	48%	0.476	55%	0.549	S	S	.	.	H	α-helix	trans	-66.9	-38.2	178.6	74.8	0	0	0	0	113	L146 L147 M153 G154	L146-S150 WeakPolarHBondContact O-CB 3.47Å; L146-S150 PolarHBondContact O-N 2.66Å; L146-S150 PolarHBondContact O-OG 2.86Å; L147-S150 PolarHBondContact O-N 3.26Å; L147-S150 PolarHBondContact O-OG 3.39Å; L147-S150 VanDerWaalsContact O-OG 3.05Å; S150-M153 PolarHBondContact O-N 3.36Å; S150-G154 PolarHBondContact O-N 2.86Å
151	L	63.3	Low	59.2	Low	124 Å²	124	94.3 Å²	94.3	65%	0.649	54%	0.535	S	S	*	.	H	α-helix	trans	-65.4	-41.5	174	-89.2	155.3	0	0	0	112	L147 G154 L155	L147-L151 VanDerWaalsContact O-CB 3.27Å; L147-L151 WeakPolarHBondContact O-CB 3.4Å; L147-L151 WeakPolarHBondContact O-CD1 3.23Å; L147-L151 PolarHBondContact O-N 2.89Å; L151-G154 PolarHBondContact O-N 3.47Å; L151-L155 WeakPolarHBondContact O-CB 3.38Å; L151-L155 PolarHBondContact O-N 3.17Å
152	S	60.9	Low	60.4	Low	65 Å²	65	87 Å²	87	46%	0.455	52%	0.515	S	S	.	.	H	α-helix	trans	-64.9	-42	177.6	70.8	0	0	0	0	111.9	L148 V149 L155 V156	L148-S152 WeakPolarHBondContact O-CB 3.5Å; L148-S152 PolarHBondContact O-N 3Å; L148-S152 PolarHBondContact O-OG 3.33Å; V149-S152 PolarHBondContact O-N 3.35Å; V149-S152 PolarHBondContact O-OG 2.91Å; S152-L155 PolarHBondContact O-N 3.43Å; S152-V156 WeakPolarHBondContact O-CG2 3.46Å; S152-V156 PolarHBondContact O-N 2.9Å; S152-V156 VanDerWaalsContact O-N 3.12Å
153	M	62.3	Low	61.3	Low	94 Å²	94	92.8 Å²	92.8	46%	0.463	53%	0.526	S	S	.	.	H	α-helix	trans	-66.1	-42.1	174.4	-100.5	-88	40	0	0	111.8	V149 S150 L155 V156 L157	V149-M153 PolarHBondContact O-N 3.21Å; S150-M153 PolarHBondContact O-N 3.36Å; M153-L155 VanDerWaalsContact C-N 3.3Å; M153-L155 PolarHBondContact O-N 2.92Å; M153-V156 HydrophobicContact CE-CB 4.2Å; M153-V156 HydrophobicContact CE-CG1 4.41Å; M153-V156 PolarHBondContact O-N 2.88Å; M153-L157 HydrophobicContact CE-CD1 3.85Å; M153-L157 HydrophobicContact CE-CD2 4.25Å; M153-L157 HydrophobicContact CE-CG 3.6Å; M153-L157 WeakPolarHBondContact O-CG 3.48Å; M153-L157 PolarHBondContact O-N 2.97Å
154	G	64.8	Low	61.6	Low	30 Å²	30	93.9 Å²	93.9	31%	0.309	52%	0.523	S	S	.	.	H	α-helix	trans	-57.7	-42.4	174.6	0	0	0	0	0	112.5	S150 L151 L157 V158	S150-G154 PolarHBondContact O-N 2.86Å; L151-G154 PolarHBondContact O-N 3.47Å; G154-L157 PolarHBondContact O-N 3.36Å; G154-V158 WeakPolarHBondContact O-CB 3.47Å; G154-V158 VanDerWaalsContact O-CG2 3.27Å; G154-V158 WeakPolarHBondContact O-CG2 3.48Å; G154-V158 PolarHBondContact O-N 2.98Å
155	L	69.4	Low	62.2	Low	121 Å²	121	96.2 Å²	96.2	63%	0.634	53%	0.53	S	S	*	.	H	α-helix	trans	-66.5	-40.4	179.3	-165.1	72.4	0	0	0	112.2	L151 S152 M153 V158 T159	L151-L155 WeakPolarHBondContact O-CB 3.38Å; L151-L155 PolarHBondContact O-N 3.17Å; S152-L155 PolarHBondContact O-N 3.43Å; M153-L155 VanDerWaalsContact C-N 3.3Å; M153-L155 PolarHBondContact O-N 2.92Å; L155-V158 PolarHBondContact O-N 3.41Å; L155-T159 WeakPolarHBondContact O-CB 3.18Å; L155-T159 VanDerWaalsContact O-CG2 3.25Å; L155-T159 WeakPolarHBondContact O-CG2 3.21Å; L155-T159 PolarHBondContact O-N 3.42Å; L155-T159 PolarHBondContact O-OG1 2.99Å
156	V	65.8	Low	62.5	Low	82 Å²	82	99.7 Å²	99.7	50%	0.497	54%	0.543	S	S	.	.	H	α-helix	trans	-64	-44.3	175.5	173.5	0	0	0	0	110.7	S152 M153 T159 T160	S152-V156 WeakPolarHBondContact O-CG2 3.46Å; S152-V156 PolarHBondContact O-N 2.9Å; S152-V156 VanDerWaalsContact O-N 3.12Å; M153-V156 HydrophobicContact CE-CB 4.2Å; M153-V156 HydrophobicContact CE-CG1 4.41Å; M153-V156 PolarHBondContact O-N 2.88Å; V156-T159 WeakPolarHBondContact CA-OG1 3.42Å; V156-T159 PolarHBondContact O-N 3.31Å; V156-T159 PolarHBondContact O-OG1 3.37Å; V156-T160 HydrophobicContact CG1-CG2 4.48Å; V156-T160 VanDerWaalsContact O-CG2 3.28Å; V156-T160 WeakPolarHBondContact O-CG2 3.28Å; V156-T160 PolarHBondContact O-N 2.95Å; V156-T160 PolarHBondContact O-OG1 3.28Å; V156-T160 VanDerWaalsContact O-OG1 3.1Å
157	L	61.9	Low	62.7	Low	106 Å²	106	101.6 Å²	101.6	56%	0.555	54%	0.542	S	S	*	.	H	α-helix	trans	-65	-43.6	178.4	-72	168.1	0	0	0	112.1	M153 G154 T160 L161	M153-L157 HydrophobicContact CE-CD1 3.85Å; M153-L157 HydrophobicContact CE-CD2 4.25Å; M153-L157 HydrophobicContact CE-CG 3.6Å; M153-L157 WeakPolarHBondContact O-CG 3.48Å; M153-L157 PolarHBondContact O-N 2.97Å; G154-L157 PolarHBondContact O-N 3.36Å; L157-T160 WeakPolarHBondContact CA-OG1 3.38Å; L157-T160 PolarHBondContact O-N 3.39Å; L157-T160 PolarHBondContact O-OG1 3.08Å; L157-L161 WeakPolarHBondContact O-CB 3.42Å; L157-L161 PolarHBondContact O-N 3.15Å
158	V	69.4	Low	62.2	Low	86 Å²	86	102.8 Å²	102.8	52%	0.521	55%	0.553	S	S	.	*	H	α-helix	trans	-65	-42.1	178.3	172.3	0	0	0	0	111.3	G154 L155 L161 V162	G154-V158 WeakPolarHBondContact O-CB 3.47Å; G154-V158 VanDerWaalsContact O-CG2 3.27Å; G154-V158 WeakPolarHBondContact O-CG2 3.48Å; G154-V158 PolarHBondContact O-N 2.98Å; L155-V158 PolarHBondContact O-N 3.41Å; V158-L161 PolarHBondContact O-N 3.49Å; V158-V162 HydrophobicContact CG1-CG2 4.24Å; V158-V162 WeakPolarHBondContact O-CB 3.47Å; V158-V162 VanDerWaalsContact O-CG2 3.23Å; V158-V162 WeakPolarHBondContact O-CG2 3.49Å; V158-V162 PolarHBondContact O-N 3.39Å
159	T	60.4	Low	62	Low	77 Å²	77	102.1 Å²	102.1	47%	0.472	56%	0.556	S	S	.	*	H	α-helix	trans	-66.8	-38.7	178.5	50.4	0	0	0	0	112.2	L155 V156 W163	L155-T159 WeakPolarHBondContact O-CB 3.18Å; L155-T159 VanDerWaalsContact O-CG2 3.25Å; L155-T159 WeakPolarHBondContact O-CG2 3.21Å; L155-T159 PolarHBondContact O-N 3.42Å; L155-T159 PolarHBondContact O-OG1 2.99Å; V156-T159 WeakPolarHBondContact CA-OG1 3.42Å; V156-T159 PolarHBondContact O-N 3.31Å; V156-T159 PolarHBondContact O-OG1 3.37Å; T159-W163 WeakPolarHBondContact O-CB 3.28Å; T159-W163 PolarHBondContact O-N 3.31Å
160	T	60.6	Low	61.4	Low	69 Å²	69	103.6 Å²	103.6	42%	0.423	57%	0.568	S	S	.	*	H	α-helix	trans	-66.6	-36.7	172.9	58.3	0	0	0	0	113	V156 L157 H164	V156-T160 HydrophobicContact CG1-CG2 4.48Å; V156-T160 VanDerWaalsContact O-CG2 3.28Å; V156-T160 WeakPolarHBondContact O-CG2 3.28Å; V156-T160 PolarHBondContact O-N 2.95Å; V156-T160 PolarHBondContact O-OG1 3.28Å; V156-T160 VanDerWaalsContact O-OG1 3.1Å; L157-T160 WeakPolarHBondContact CA-OG1 3.38Å; L157-T160 PolarHBondContact O-N 3.39Å; L157-T160 PolarHBondContact O-OG1 3.08Å; T160-H164 PolarHBondContact O-N 3.01Å
161	L	62.4	Low	60.4	Low	108 Å²	108	108.6 Å²	108.6	57%	0.565	58%	0.584	S	S	*	*	H	α-helix	trans	-70	-42.4	176.6	-171.5	69.2	0	0	0	111.6	L157 V158 W163 H164 L165	L157-L161 WeakPolarHBondContact O-CB 3.42Å; L157-L161 PolarHBondContact O-N 3.15Å; V158-L161 PolarHBondContact O-N 3.49Å; L161-W163 VanDerWaalsContact C-N 3.33Å; L161-W163 PolarHBondContact O-N 2.91Å; L161-H164 PolarHBondContact O-N 3.23Å; L161-L165 HydrophobicContact CG-CD1 4.09Å; L161-L165 WeakPolarHBondContact O-CB 3.44Å; L161-L165 VanDerWaalsContact O-CG 3.3Å; L161-L165 WeakPolarHBondContact O-CG 3.39Å; L161-L165 PolarHBondContact O-N 3.43Å
162	V	70.5	Confident	59.6	Low	68 Å²	68	107.8 Å²	107.8	41%	0.412	59%	0.586	S	S	.	*	H	α-helix	trans	-62.9	-40.4	175.2	169.2	0	0	0	0	110.7	V158 L165 L166	V158-V162 HydrophobicContact CG1-CG2 4.24Å; V158-V162 WeakPolarHBondContact O-CB 3.47Å; V158-V162 VanDerWaalsContact O-CG2 3.23Å; V158-V162 WeakPolarHBondContact O-CG2 3.49Å; V158-V162 PolarHBondContact O-N 3.39Å; V162-L165 PolarHBondContact O-N 2.97Å; V162-L166 HydrophobicContact CG1-CD1 3.47Å; V162-L166 VanDerWaalsContact CG1-CD1 3.47Å; V162-L166 HydrophobicContact CG1-CG 4.21Å; V162-L166 VanDerWaalsContact O-CB 3.29Å; V162-L166 WeakPolarHBondContact O-CB 3.41Å; V162-L166 VanDerWaalsContact O-CG 3.28Å; V162-L166 WeakPolarHBondContact O-CG 3.32Å; V162-L166 PolarHBondContact O-N 3.04Å
163	W	65.4	Low	58.7	Low	157 Å²	157	110.9 Å²	110.9	60%	0.595	60%	0.604	S	S	*	*	H	α-helix	trans	-59.5	-46.3	171.6	176	-99.3	0	0	0	112.1	T159 L161 L165 L166 R167	T159-W163 WeakPolarHBondContact O-CB 3.28Å; T159-W163 PolarHBondContact O-N 3.31Å; L161-W163 VanDerWaalsContact C-N 3.33Å; L161-W163 PolarHBondContact O-N 2.91Å; W163-L165 VanDerWaalsContact C-N 3.31Å; W163-L165 PolarHBondContact O-N 3.44Å; W163-L166 PolarHBondContact O-N 3.49Å; W163-R167 WeakPolarHBondContact O-CB 3.13Å; W163-R167 PolarHBondContact O-N 2.82Å
164	H	60.8	Low	57.5	Low	132 Å²	132	112 Å²	112	61%	0.611	62%	0.617	S	S	*	*	H	α-helix	trans	-65.2	-33	178.9	-106.8	-65.1	0	0	0	113.5	T160 L161	T160-H164 PolarHBondContact O-N 3.01Å; L161-H164 PolarHBondContact O-N 3.23Å
165	L	64.8	Low	56.4	Low	137 Å²	137	116.3 Å²	116.3	72%	0.717	64%	0.639	S	S	*	*	H	α-helix	trans	-81	-28.8	178.4	-69.2	171	0	0	0	113.2	L161 V162 W163	L161-L165 HydrophobicContact CG-CD1 4.09Å; L161-L165 WeakPolarHBondContact O-CB 3.44Å; L161-L165 VanDerWaalsContact O-CG 3.3Å; L161-L165 WeakPolarHBondContact O-CG 3.39Å; L161-L165 PolarHBondContact O-N 3.43Å; V162-L165 PolarHBondContact O-N 2.97Å; W163-L165 VanDerWaalsContact C-N 3.31Å; W163-L165 PolarHBondContact O-N 3.44Å
166	L	62	Low	54.8	Low	131 Å²	131	118.5 Å²	118.5	69%	0.686	65%	0.65	S	S	*	*	H	α-helix	trans	-89.1	-10.2	177.3	-69.8	172.3	0	0	0	113.3	V162 W163 T168	V162-L166 HydrophobicContact CG1-CD1 3.47Å; V162-L166 VanDerWaalsContact CG1-CD1 3.47Å; V162-L166 HydrophobicContact CG1-CG 4.21Å; V162-L166 VanDerWaalsContact O-CB 3.29Å; V162-L166 WeakPolarHBondContact O-CB 3.41Å; V162-L166 VanDerWaalsContact O-CG 3.28Å; V162-L166 WeakPolarHBondContact O-CG 3.32Å; V162-L166 PolarHBondContact O-N 3.04Å; W163-L166 PolarHBondContact O-N 3.49Å; L166-T168 PolarHBondContact O-N 2.73Å
167	R	56.6	Low	53.6	Low	167 Å²	167	119.1 Å²	119.1	63%	0.63	66%	0.656	S	S	*	*			trans	-70.9	93.9	174.4	-162	175.8	-169.6	-179.6	2.8	108.9	W163	W163-R167 WeakPolarHBondContact O-CB 3.13Å; W163-R167 PolarHBondContact O-N 2.82Å
168	T	45.2	Very low	52.8	Low	117 Å²	117	120 Å²	120	72%	0.718	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-58.3	136.6	170.5	49.3	0	0	0	0	109.5	L166	L166-T168 PolarHBondContact O-N 2.73Å
169	P	53.6	Low	51.2	Low	111 Å²	111	124.2 Å²	124.2	72%	0.721	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-59.4	145.3	172.6	24.6	-31	0	0	0	109.5	E171	P169-E171 PolarHBondContact O-N 3.24Å
170	P	48.7	Very low	50.2	Low	125 Å²	125	128.4 Å²	128.4	81%	0.812	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-61.2	127	179.4	25	-31.5	0	0	0	109.5
171	E	40	Very low	49	Very low	174 Å²	174	136.7 Å²	136.7	81%	0.813	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-60.7	137.5	172.6	-94.4	-176.1	147.7	0	0	109.8	P169	P169-E171 PolarHBondContact O-N 3.24Å
172	P	46.4	Very low	48.1	Very low	106 Å²	106	143.2 Å²	143.2	69%	0.688	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-64.4	145.7	168.7	28.5	-32.1	0	0	0	109.3	T174	P172-T174 PolarHBondContact O-N 2.74Å; P172-T174 VanDerWaalsContact O-N 3.12Å
173	P	41.8	Very low	46.2	Very low	130 Å²	130	148.8 Å²	148.8	84%	0.844	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-62.8	119.1	-173.8	24.3	-32.1	0	0	0	110.7
174	T	36.5	Very low	44.8	Very low	119 Å²	119	147.2 Å²	147.2	73%	0.73	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-72.7	133.1	172.1	5.4	0	0	0	0	109.6	P172 L176	P172-T174 PolarHBondContact O-N 2.74Å; P172-T174 VanDerWaalsContact O-N 3.12Å; T174-L176 PolarHBondContact O-N 3.2Å
175	P	41.3	Very low	43.4	Very low	119 Å²	119	147 Å²	147	77%	0.773	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-70.6	127.6	175.4	26.6	-28.6	0	0	0	109.7
176	L	36.6	Very low	42.1	Very low	167 Å²	167	144.5 Å²	144.5	87%	0.874	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-67.2	139.4	-179.9	-71.3	165.6	0	0	0	111.5	T174	T174-L176 PolarHBondContact O-N 3.2Å
177	P	39.5	Very low	40.7	Very low	95 Å²	95	149.6 Å²	149.6	62%	0.617	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-76.3	155.9	167	32.5	-30.8	0	0	0	110.6	E179	P177-E179 PolarHBondContact O-N 2.84Å
178	P	46.9	Very low	39.8	Very low	125 Å²	125	146.8 Å²	146.8	81%	0.812	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-84.9	117.3	-179.3	33	-27.2	0	0	0	109.1
179	E	34.8	Very low	39.2	Very low	175 Å²	175	147.3 Å²	147.3	82%	0.818	79%	0.788	S	S	*	*			trans	-138.3	109.3	162.9	-112.3	114.1	-164	0	0	112.3	P177 R181	P177-E179 PolarHBondContact O-N 2.84Å; E179-R181 PolarHBondContact O-N 3.18Å
180	D	39.8	Very low	38	Very low	164 Å²	164	146.7 Å²	146.7	88%	0.877	79%	0.786	S	S	*	*			trans	-45.7	119.5	152.4	-89	-48.3	0	0	0	111.6
181	R	35.3	Very low	37.3	Very low	243 Å²	243	149.4 Å²	149.4	92%	0.917	79%	0.786	S	S	*	*			trans	-160.1	113.8	136.4	-114.9	172.6	-175.7	177.5	2	112.1	E179 Q183	E179-R181 PolarHBondContact O-N 3.18Å; R181-Q183 PolarHBondContact O-N 3.29Å
182	R	43.8	Very low	36.8	Very low	245 Å²	245	146.3 Å²	146.3	93%	0.925	78%	0.779	S	S	*	*			trans	-34.7	116.9	166.1	-69.2	173.5	176.7	-142.5	-2.1	113.9
183	Q	30.1	Very low	36.2	Very low	186 Å²	186	148 Å²	148	87%	0.869	77%	0.772	S	S	*	*			trans	-138.5	100	135.3	-92.4	-175.4	-13.9	0	0	107	R181 V185	R181-Q183 PolarHBondContact O-N 3.29Å; Q183-V185 VanDerWaalsContact C-N 3.31Å; Q183-V185 PolarHBondContact O-N 3.33Å
184	S	36.1	Very low	35.7	Very low	124 Å²	124	146.8 Å²	146.8	87%	0.867	77%	0.767	S	S	*	*			trans	-74.6	83.3	177.8	50.7	0	0	0	0	109.8
185	V	31.5	Very low	35.3	Very low	127 Å²	127	149.9 Å²	149.9	77%	0.77	77%	0.774	S	S	*	*			trans	-100.3	98.4	156.1	-174.2	0	0	0	0	105.6	Q183 R187	Q183-V185 VanDerWaalsContact C-N 3.31Å; Q183-V185 PolarHBondContact O-N 3.33Å; V185-R187 PolarHBondContact O-N 3.48Å
186	S	37.2	Very low	34.7	Very low	84 Å²	84	152.5 Å²	152.5	59%	0.587	77%	0.768	S	S	*	*			trans	-60.3	103.7	175.7	153	0	0	0	0	108.6	Q188	S186-Q188 PolarHBondContact O-N 3.36Å
187	R	32.6	Very low	34.4	Very low	238 Å²	238	153.5 Å²	153.5	90%	0.898	77%	0.771	S	S	*	*			trans	-58.1	106.3	161.1	-70.2	-177	172.4	-176.4	-3	107.6	V185	V185-R187 PolarHBondContact O-N 3.48Å
188	Q	37.7	Very low	33.9	Very low	108 Å²	108	157.5 Å²	157.5	51%	0.505	78%	0.781	S	S	.	*			trans	-57.6	142.1	156.4	-70.2	-175.1	-17.6	0	0	107.3	S186 S190	S186-Q188 PolarHBondContact O-N 3.36Å; Q188-S190 VanDerWaalsContact C-N 3.33Å; Q188-S190 PolarHBondContact O-N 3.26Å
189	P	32	Very low	33.1	Very low	128 Å²	128	160.2 Å²	160.2	83%	0.831	78%	0.783	S	S	*	*			trans	-66.4	96.8	179	26.2	-31.3	0	0	0	108.9	F191	P189-F191 PolarHBondContact O-N 2.98Å; P189-F191 VanDerWaalsContact O-N 3.13Å
190	S	29.4	Very low	32.9	Very low	98 Å²	98	159.2 Å²	159.2	69%	0.685	78%	0.776	S	S	*	*			trans	-64.9	106.6	161	54.3	0	0	0	0	106.5	Q188 T192	Q188-S190 VanDerWaalsContact C-N 3.33Å; Q188-S190 PolarHBondContact O-N 3.26Å; S190-T192 PolarHBondContact O-N 3.41Å
191	F	33.3	Very low	32.5	Very low	182 Å²	182	157.8 Å²	157.8	80%	0.798	77%	0.772	S	S	*	*			trans	-74.6	79.1	173.2	-157.8	-91.7	0	0	0	108.4	P189 Y193	P189-F191 PolarHBondContact O-N 2.98Å; P189-F191 VanDerWaalsContact O-N 3.13Å; F191-Y193 HydrophobicContact CE1-CD2 4.24Å; F191-Y193 PolarHBondContact O-N 3.23Å
192	T	30.3	Very low	32.4	Very low	110 Å²	110	153.4 Å²	153.4	68%	0.675	76%	0.763	S	S	*	*			trans	-72.1	114.4	157.8	39	0	0	0	0	107.1	S190 S194	S190-T192 PolarHBondContact O-N 3.41Å; T192-S194 PolarHBondContact O-N 2.91Å
193	Y	32.8	Very low	32	Very low	140 Å²	140	148.6 Å²	148.6	55%	0.549	76%	0.755	S	S	.	*			trans	-44	106.6	172.1	-134.9	-107.5	0	0	0	109.6	F191 W196	F191-Y193 HydrophobicContact CE1-CD2 4.24Å; F191-Y193 PolarHBondContact O-N 3.23Å; Y193-W196 AromaticContact CE1-NE1 3.34Å; Y193-W196 VanDerWaalsContact CE1-NE1 3.34Å; Y193-W196 AromaticContact CZ-NE1 3.99Å
194	S	31.4	Very low	32.1	Very low	105 Å²	105	147.9 Å²	147.9	73%	0.734	76%	0.757	S	S	*	*			trans	-79.2	131.8	166.7	-60.6	0	0	0	0	107.8	T192	T192-S194 PolarHBondContact O-N 2.91Å
195	E	28.9	Very low	31.9	Very low	185 Å²	185	150.5 Å²	150.5	86%	0.864	75%	0.754	S	S	*	*			trans	-41.7	134.1	178.3	-80.6	165.5	134.2	0	0	112.6	M197	E195-M197 PolarHBondContact O-N 2.99Å; E195-M197 VanDerWaalsContact O-N 3.17Å
196	W	29.4	Very low	32.1	Very low	174 Å²	174	150.8 Å²	150.8	66%	0.659	75%	0.75	S	S	*	*			trans	-53.3	115	165	-67.5	83.4	0	0	0	109.3	Y193 E198	Y193-W196 AromaticContact CE1-NE1 3.34Å; Y193-W196 VanDerWaalsContact CE1-NE1 3.34Å; Y193-W196 AromaticContact CZ-NE1 3.99Å; W196-E198 PolarHBondContact O-N 3.18Å; W196-E198 VanDerWaalsContact O-N 3.1Å
197	M	29.4	Very low	31.9	Very low	188 Å²	188	154.8 Å²	154.8	93%	0.926	77%	0.765	S	S	*	*			trans	-70.5	101.2	160.1	-78.4	-87.9	-75.1	0	0	107.1	E195 E199	E195-M197 PolarHBondContact O-N 2.99Å; E195-M197 VanDerWaalsContact O-N 3.17Å; M197-E199 PolarHBondContact O-N 3.24Å; M197-E199 VanDerWaalsContact O-N 3.14Å
198	E	29.5	Very low	32	Very low	179 Å²	179	150.9 Å²	150.9	84%	0.836	76%	0.761	S	S	*	*			trans	-67.3	94.5	167.7	-159.5	170.5	-144	0	0	107.7	W196 K200	W196-E198 PolarHBondContact O-N 3.18Å; W196-E198 VanDerWaalsContact O-N 3.1Å; E198-K200 PolarHBondContact O-N 3.23Å; E198-K200 VanDerWaalsContact O-N 3.16Å
199	E	29.7	Very low	31.7	Very low	181 Å²	181	153 Å²	153	85%	0.846	78%	0.776	S	S	*	*			trans	-79.4	96.2	168.8	-160.7	172.9	-162.1	0	0	107.8	M197 V201	M197-E199 PolarHBondContact O-N 3.24Å; M197-E199 VanDerWaalsContact O-N 3.14Å; E199-V201 PolarHBondContact O-N 3.39Å; E199-V201 VanDerWaalsContact O-N 3.11Å
200	K	30.3	Very low	32.1	Very low	155 Å²	155	152.4 Å²	152.4	67%	0.674	77%	0.772	S	S	*	*			trans	-55.8	110.5	166.3	-83.3	-176.9	167.1	-167.6	0	109.4	E198 E202	E198-K200 PolarHBondContact O-N 3.23Å; E198-K200 VanDerWaalsContact O-N 3.16Å; K200-E202 IonicContact NZ-OE1 3.86Å; K200-E202 PolarHBondContact O-N 2.95Å
201	V	31	Very low	32.4	Very low	133 Å²	133	154 Å²	154	81%	0.806	78%	0.777	S	S	*	*			trans	-75.6	99.5	156.9	179.6	0	0	0	0	106.4	E199	E199-V201 PolarHBondContact O-N 3.39Å; E199-V201 VanDerWaalsContact O-N 3.11Å
202	E	33.9	Very low	32.4	Very low	152 Å²	152	150.9 Å²	150.9	71%	0.71	78%	0.775	S	S	*	*			trans	-93.7	114.4	161.8	-76.2	-178	-177.2	0	0	107.6	K200	K200-E202 IonicContact NZ-OE1 3.86Å; K200-E202 PolarHBondContact O-N 2.95Å
203	D	34.6	Very low	32.4	Very low	143 Å²	143	154.6 Å²	154.6	77%	0.765	79%	0.785	S	S	*	*			trans	-58.1	127.1	161	-87.1	-40.4	0	0	0	109.3
204	D	33.3	Very low	32.4	Very low	172 Å²	172	154 Å²	154	92%	0.92	80%	0.796	S	S	*	*			trans	-154	137.3	142	-107.7	-19.3	0	0	0	111.8
205	F	30.9	Very low	32.5	Very low	179 Å²	179	154.2 Å²	154.2	79%	0.785	80%	0.795	S	S	*	*			trans	-78.8	146.7	-167.9	-112.7	-122.3	0	0	0	113.7
206	L	36.9	Very low	32.6	Very low	133 Å²	133	151.3 Å²	151.3	70%	0.696	79%	0.79	S	S	*	*			trans	56.7	117.3	149.9	-58.5	173.8	0	0	0	120.6
207	D	32.4	Very low	32.6	Very low	168 Å²	168	152.1 Å²	152.1	90%	0.898	80%	0.798	S	S	*	*				-164	137.5	106.6	-98.9	-23.5	0	0	0	112.3
208	L	35.7	Very low	32.6	Very low	156 Å²	156	150.1 Å²	150.1	82%	0.817	79%	0.791	S	S	*	*			trans	-77	142.8	179.6	-73.5	151	0	0	0	111.3
209	D	31.1	Very low	32.7	Very low	153 Å²	153	147.8 Å²	147.8	82%	0.818	79%	0.793	S	S	*	*				174.3	163.2	126.6	-100.3	-9.8	0	0	0	113.7
210	P	39.3	Very low	32.8	Very low	115 Å²	115	145.9 Å²	145.9	75%	0.747	79%	0.793	S	S	*	*				-112	169.1	-118.5	26.5	-8.1	0	0	0	117.1
211	V	35.6	Very low	32.9	Very low	130 Å²	130	145.5 Å²	145.5	79%	0.788	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-51.9	135.4	177.2	-179.3	0	0	0	0	113.8
212	P	33.5	Very low	32.8	Very low	118 Å²	118	147.1 Å²	147.1	77%	0.766	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-92.8	125.5	161.2	26.6	-15.8	0	0	0	111.8
213	E	31.5	Very low	32.9	Very low	187 Å²	187	146.4 Å²	146.4	87%	0.874	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-64.2	138.4	174.4	-61.2	180	158.2	0	0	112.3
214	T	31.4	Very low	32.6	Very low	129 Å²	129	149.2 Å²	149.2	79%	0.791	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-79.9	133.1	169.5	48.7	0	0	0	0	111
215	P	34.5	Very low	33	Very low	109 Å²	109	146.1 Å²	146.1	71%	0.708	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-83.2	131.5	175.1	31.4	-30	0	0	0	111.6	F217	P215-F217 HydrophobicContact CB-CE2 4.48Å
216	V	30.3	Very low	33	Very low	124 Å²	124	146.6 Å²	146.6	75%	0.752	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-76.2	130.9	167.1	174.8	0	0	0	0	109
217	F	30.2	Very low	32.7	Very low	190 Å²	190	144.9 Å²	144.9	83%	0.833	80%	0.804	S	S	*	*			trans	-136.1	108.1	161.4	-87.3	-79.8	0	0	0	110.2	P215	P215-F217 HydrophobicContact CB-CE2 4.48Å
218	D	28.8	Very low	32.6	Very low	146 Å²	146	144.1 Å²	144.1	78%	0.781	80%	0.8	S	S	*	*			trans	-70.8	130.6	159.2	-80.1	-41.7	0	0	0	109.3
219	C	31.9	Very low	33	Very low	130 Å²	130	141.6 Å²	141.6	88%	0.878	79%	0.793	S	S	*	*			trans	-146.3	120.3	159.7	-99.4	0	0	0	0	111.4
220	V	30.8	Very low	32.9	Very low	141 Å²	141	138.8 Å²	138.8	86%	0.855	79%	0.791	S	S	*	*			trans	-70.4	150	-178.2	178.5	0	0	0	0	111.1
221	M	32.2	Very low	32.7	Very low	147 Å²	147	138.8 Å²	138.8	72%	0.724	79%	0.794	S	S	*	*			trans	-57.5	137.6	171.9	-65.3	-168	72.5	0	0	112.5	I223	M221-I223 HydrophobicContact CE-CD1 3.67Å; M221-I223 HydrophobicContact CE-CG1 4.19Å
222	D	30.9	Very low	32.6	Very low	168 Å²	168	140.8 Å²	140.8	90%	0.898	80%	0.799	S	S	*	*			trans	-145.3	115.2	150.5	-105.4	-27.6	0	0	0	109.8
223	I	34.3	Very low	32.6	Very low	137 Å²	137	141.7 Å²	141.7	70%	0.703	80%	0.803	S	S	*	*			trans	-95.4	129.3	174.2	-66.2	166	0	0	0	107.2	M221	M221-I223 HydrophobicContact CE-CD1 3.67Å; M221-I223 HydrophobicContact CE-CG1 4.19Å
224	K	28.9	Very low	32.7	Very low	201 Å²	201	139.2 Å²	139.2	87%	0.874	80%	0.8	S	S	*	*			trans	-137.1	144.9	154.4	-112.3	-175.8	177.1	176.4	0	111.7
225	P	42.9	Very low	32.7	Very low	108 Å²	108	142.1 Å²	142.1	70%	0.701	80%	0.802	S	S	*	*			trans	-100.8	-173.5	-163	40.2	-31.2	0	0	0	112.8
226	E	29.3	Very low	32.8	Very low	189 Å²	189	141.9 Å²	141.9	88%	0.883	80%	0.803	S	S	*	*			trans	96.6	136.4	173.3	-56.8	-172.8	-177	0	0	115
227	A	31.2	Very low	33	Very low	97 Å²	97	144.2 Å²	144.2	80%	0.802	81%	0.808	S	S	*	*			cis	-164.2	159.6	-11.8	0	0	0	0	0	107.9
228	D	30.9	Very low	33.3	Very low	152 Å²	152	139.1 Å²	139.1	81%	0.813	81%	0.808	S	S	*	*			trans	-46.3	-173.9	175.7	-142.8	14.1	0	0	0	116.5
229	P	42.8	Very low	33.9	Very low	102 Å²	102	140.2 Å²	140.2	66%	0.662	81%	0.813	S	S	*	*			cis	-130.8	160.5	-28.8	14.9	8.9	0	0	0	112.6
230	A	29.8	Very low	34.2	Very low	95 Å²	95	142.2 Å²	142.2	79%	0.785	81%	0.81	S	S	*	*			trans	158.4	103.5	136.4	0	0	0	0	0	112.5
231	S	35.3	Very low	34.4	Very low	115 Å²	115	144.6 Å²	144.6	80%	0.804	81%	0.812	S	S	*	*			trans	153.9	70.4	131.8	56.3	0	0	0	0	111.2
232	L	32.5	Very low	35	Very low	171 Å²	171	149.1 Å²	149.1	90%	0.895	82%	0.821	S	S	*	*			trans	-94.3	104.8	158.7	-74.3	171.2	0	0	0	108.2
233	T	34.8	Very low	35.6	Very low	138 Å²	138	152.9 Å²	152.9	85%	0.847	82%	0.822	S	S	*	*			trans	-110.4	100.4	162.4	38.2	0	0	0	0	108.9
234	V	32.9	Very low	35.6	Very low	135 Å²	135	149.6 Å²	149.6	82%	0.818	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-78	123.3	171.2	173.8	0	0	0	0	108.5
235	K	31.2	Very low	36.2	Very low	189 Å²	189	144.7 Å²	144.7	82%	0.822	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-100.5	116.3	169.2	-148.3	179	-172.1	-179.7	0	108.7
236	S	36.6	Very low	36.3	Very low	104 Å²	104	147.7 Å²	147.7	73%	0.727	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-80.1	123.2	176.3	52.9	0	0	0	0	111.7
237	M	35.4	Very low	36.9	Very low	174 Å²	174	143.4 Å²	143.4	86%	0.857	81%	0.81	S	S	*	*			trans	-145	108	164.1	-70.9	-90.1	150.2	0	0	104.3
238	G	36.1	Very low	37.4	Very low	82 Å²	82	143.3 Å²	143.3	85%	0.845	80%	0.803	S	S	*	*				105	107.7	72.8	0	0	0	0	0	108.2
239	L	40.9	Very low	38.2	Very low	169 Å²	169	143.4 Å²	143.4	89%	0.885	80%	0.803	S	S	*	*			trans	-65.5	145.8	176.1	-88.4	156.2	0	0	0	111.3
240	Q	38.7	Very low	38.3	Very low	172 Å²	172	144 Å²	144	80%	0.804	81%	0.805	S	S	*	*			trans	80.2	99	160.6	-139.5	96.2	15.6	0	0	117.6
241	E	35.5	Very low	39	Very low	191 Å²	191	146.5 Å²	146.5	89%	0.893	80%	0.804	S	S	*	*				-179.1	146.1	109.7	-105.6	-177.7	157.5	0	0	113.4
242	R	45.1	Very low	39.3	Very low	242 Å²	242	146.5 Å²	146.5	91%	0.913	80%	0.795	S	S	*	*			trans	-63.1	133.1	-168.5	-65.6	168.9	162.7	156.7	-5.6	113.6
243	R	42	Very low	39.9	Very low	248 Å²	248	145.6 Å²	145.6	94%	0.936	79%	0.788	S	S	*	*			trans	-139.7	125.1	137	-88.1	-170.9	177.4	178.9	-1.6	109.3
244	G	36	Very low	40.5	Very low	67 Å²	67	144.4 Å²	144.4	69%	0.691	78%	0.784	S	S	*	*			trans	-59.6	140.1	-172.4	0	0	0	0	0	112.5	N246	G244-N246 PolarHBondContact O-N 3.5Å
245	S	40.8	Very low	41.1	Very low	99 Å²	99	142.4 Å²	142.4	69%	0.692	77%	0.773	S	S	*	*			trans	-61	123	164.4	-175.7	0	0	0	0	108.6	V247	S245-V247 PolarHBondContact O-N 2.91Å; S245-V247 VanDerWaalsContact OG-CG2 3.27Å; S245-V247 WeakPolarHBondContact OG-CG2 3.43Å
246	N	44.4	Very low	41.6	Very low	170 Å²	170	138.5 Å²	138.5	91%	0.909	77%	0.766	S	S	*	*			trans	-75.1	40.9	170.9	-68.8	-28.4	0	0	0	111.3	G244 S248	G244-N246 PolarHBondContact O-N 3.5Å; N246-S248 PolarHBondContact O-N 2.74Å
247	V	42.3	Very low	41.6	Very low	99 Å²	99	136.3 Å²	136.3	60%	0.6	76%	0.76	S	S	*	*			trans	-86.9	97.7	166.3	174.6	0	0	0	0	105.5	S245 L249	S245-V247 PolarHBondContact O-N 2.91Å; S245-V247 VanDerWaalsContact OG-CG2 3.27Å; S245-V247 WeakPolarHBondContact OG-CG2 3.43Å; V247-L249 VanDerWaalsContact C-N 3.32Å; V247-L249 PolarHBondContact O-N 3.01Å
248	S	41.6	Very low	41.8	Very low	96 Å²	96	134 Å²	134	67%	0.671	76%	0.759	S	S	*	*			trans	-54.8	104.5	156.6	170.6	0	0	0	0	106.7	N246 T250	N246-S248 PolarHBondContact O-N 2.74Å; S248-T250 PolarHBondContact O-N 2.57Å; S248-T250 PolarHBondContact OG-OG1 3.48Å; S248-T250 VanDerWaalsContact OG-OG1 3.11Å
249	L	46.8	Very low	41.8	Very low	154 Å²	154	137 Å²	137	81%	0.806	76%	0.756	S	S	*	*			trans	-68.2	83.7	161.4	-81.7	164.8	0	0	0	106.5	V247 L251	V247-L249 VanDerWaalsContact C-N 3.32Å; V247-L249 PolarHBondContact O-N 3.01Å; L249-L251 VanDerWaalsContact C-N 3.32Å; L249-L251 PolarHBondContact O-N 3.4Å
250	T	46.3	Very low	42	Very low	115 Å²	115	138.2 Å²	138.2	71%	0.706	76%	0.757	S	S	*	*			trans	-72.7	97.5	165	-42.7	0	0	0	0	105.7	S248 D252	S248-T250 PolarHBondContact O-N 2.57Å; S248-T250 PolarHBondContact OG-OG1 3.48Å; S248-T250 VanDerWaalsContact OG-OG1 3.11Å; T250-D252 PolarHBondContact O-N 3Å
251	L	43.8	Very low	42	Very low	146 Å²	146	138.4 Å²	138.4	76%	0.764	76%	0.758	S	S	*	*			trans	-64.7	104.1	166.8	-102.8	148.6	0	0	0	107.1	L249 M253	L249-L251 VanDerWaalsContact C-N 3.32Å; L249-L251 PolarHBondContact O-N 3.4Å; L251-M253 PolarHBondContact O-N 3.41Å; L251-M253 VanDerWaalsContact O-N 3.13Å
252	D	40.8	Very low	42.3	Very low	115 Å²	115	133.5 Å²	133.5	62%	0.615	76%	0.759	S	S	*	*			trans	-69.3	102.9	170.5	-169	-2.4	0	0	0	108.3	T250 C254	T250-D252 PolarHBondContact O-N 3Å; D252-C254 VanDerWaalsContact C-N 3.29Å; D252-C254 WeakPolarHBondContact OD1-CB 3.5Å; D252-C254 PolarHBondContact OD1-N 3.42Å; D252-C254 VanDerWaalsContact OD1-N 3.09Å
253	M	46	Very low	42.1	Very low	153 Å²	153	131.6 Å²	131.6	75%	0.754	76%	0.758	S	S	*	*			trans	-89.4	6	177.9	-73.9	-61.1	-46.2	0	0	112.3	L251	L251-M253 PolarHBondContact O-N 3.41Å; L251-M253 VanDerWaalsContact O-N 3.13Å
254	C	46.6	Very low	42.5	Very low	112 Å²	112	122.9 Å²	122.9	76%	0.757	75%	0.745	S	S	*	*	S	Bend	trans	-97	15	-174.7	-69.6	0	0	0	0	114.7	D252	D252-C254 VanDerWaalsContact C-N 3.29Å; D252-C254 WeakPolarHBondContact OD1-CB 3.5Å; D252-C254 PolarHBondContact OD1-N 3.42Å; D252-C254 VanDerWaalsContact OD1-N 3.09Å
255	T	46.5	Very low	43.9	Very low	94 Å²	94	127.4 Å²	127.4	58%	0.577	74%	0.743	S	S	*	*			trans	-142.3	96.5	168.5	-36.5	0	0	0	0	111.5	G257	T255-G257 PolarHBondContact O-N 3.25Å
256	P	41.7	Very low	45.2	Very low	107 Å²	107	129.5 Å²	129.5	70%	0.695	75%	0.745	S	S	*	*			trans	-70.8	98.6	157.3	-2.3	19.8	0	0	0	107.7
257	G	36.9	Very low	46.8	Very low	57 Å²	57	123.9 Å²	123.9	59%	0.588	71%	0.714	S	S	*	*			trans	46.4	89.7	154.1	0	0	0	0	0	118.5	T255 N259	T255-G257 PolarHBondContact O-N 3.25Å; G257-N259 PolarHBondContact O-N 2.95Å
258	C	39.3	Very low	48.9	Very low	125 Å²	125	121.3 Å²	121.3	85%	0.845	70%	0.7	S	S	*	*			trans	-72.3	79	142.9	-85.5	0	0	0	0	108.3
259	N	36.4	Very low	51.1	Low	146 Å²	146	121.7 Å²	121.7	78%	0.781	70%	0.701	S	S	*	*			trans	-108.9	129.4	150.6	-87.4	-3.9	0	0	0	106.4	G257 E261	G257-N259 PolarHBondContact O-N 2.95Å; N259-E261 VanDerWaalsContact C-N 3.34Å; N259-E261 PolarHBondContact O-N 3.49Å
260	E	44.8	Very low	53	Low	195 Å²	195	123 Å²	123	91%	0.911	70%	0.695	S	S	*	*	S	Bend	trans	-51.5	96.9	168.4	-63.6	175.1	155.8	0	0	108.7
261	E	37.7	Very low	54.9	Low	176 Å²	176	121 Å²	121	82%	0.822	68%	0.678	S	S	*	*	S	Bend	trans	162.4	103	155.4	-90.7	169	-164.1	0	0	110.1	N259 F263	N259-E261 VanDerWaalsContact C-N 3.34Å; N259-E261 PolarHBondContact O-N 3.49Å; E261-F263 PolarHBondContact O-N 2.89Å
262	G	42.5	Very low	57.1	Low	88 Å²	88	119.2 Å²	119.2	91%	0.907	67%	0.665	S	S	*	*			trans	67.4	13.6	140.3	0	0	0	0	0	120.8
263	F	40.8	Very low	59.6	Low	201 Å²	201	117.3 Å²	117.3	88%	0.882	66%	0.661	S	S	*	*			trans	-86.6	112.6	165.9	-82	-88.6	0	0	0	109.8	E261	E261-F263 PolarHBondContact O-N 2.89Å
264	G	51	Low	61.8	Low	66 Å²	66	111.3 Å²	111.3	68%	0.68	64%	0.636	S	S	*	*			trans	-54.5	147	174.2	0	0	0	0	0	111.3	L266	G264-L266 PolarHBondContact O-N 3.38Å
265	Y	63.8	Low	64.1	Low	162 Å²	162	113.3 Å²	113.3	64%	0.635	63%	0.627	S	S	*	*			trans	-47.2	108.9	177.2	175.2	-101.8	0	0	0	110.5	M267 E271	Y265-M267 HydrophobicContact CD1-CG 4.04Å; Y265-M267 HydrophobicContact CE1-CG 3.7Å; Y265-E271 PolarHBondContact OH-OE1 3.29Å; Y265-E271 VanDerWaalsContact OH-OE1 3.09Å; Y265-E271 PolarHBondContact OH-OE2 3.09Å
266	L	69.5	Low	66.4	Low	142 Å²	142	115 Å²	115	74%	0.743	63%	0.629	S	S	*	*			trans	-86.2	111.4	177.7	-164.8	87.5	0	0	0	107.5	G264	G264-L266 PolarHBondContact O-N 3.38Å
267	M	78.4	Confident	69.1	Low	53 Å²	53	112.5 Å²	112.5	26%	0.261	61%	0.606	S	S	.	*			trans	-61.8	138.6	177.3	-71.2	-162.7	57.7	0	0	110.7	Y265 E271 E272	Y265-M267 HydrophobicContact CD1-CG 4.04Å; Y265-M267 HydrophobicContact CE1-CG 3.7Å; M267-E271 VanDerWaalsContact CE-C 3.45Å; M267-E271 HydrophobicContact CE-CB 3.29Å; M267-E272 HydrophobicContact CB-CG 3.78Å
268	S	85.5	Confident	72	Confident	44 Å²	44	110 Å²	110	31%	0.308	58%	0.579	S	S	.	*			trans	-69.6	151.8	172.2	68.8	0	0	0	0	110.3	R270 E271 E272	S268-R270 PolarHBondContact O-N 3.25Å; S268-E271 WeakPolarHBondContact CB-OE2 3.32Å; S268-E271 PolarHBondContact N-OE2 3.42Å; S268-E271 PolarHBondContact O-N 2.95Å; S268-E271 WeakPolarHBondContact OG-CG 3.44Å; S268-E271 PolarHBondContact OG-N 2.66Å; S268-E271 PolarHBondContact OG-OE2 3.12Å; S268-E272 PolarHBondContact O-N 3.37Å
269	P	86.9	Confident	74.7	Confident	104 Å²	104	109.1 Å²	109.1	68%	0.675	57%	0.565	S	S	*	*	H	α-helix	trans	-54.9	-28.2	177.2	-28.1	35.1	0	0	0	113.8	S273	P269-S273 WeakPolarHBondContact O-CB 3.34Å; P269-S273 PolarHBondContact O-N 3.34Å
270	R	86.9	Confident	77.6	Confident	181 Å²	181	106 Å²	106	68%	0.683	56%	0.555	S	S	*	*	H	α-helix	trans	-71.8	-42.9	176.2	-175.3	179.9	179.8	-177.9	-0	111.7	S268 E272 A274	S268-R270 PolarHBondContact O-N 3.25Å; R270-E272 VanDerWaalsContact C-N 3.34Å; R270-A274 WeakPolarHBondContact O-CB 3.25Å; R270-A274 PolarHBondContact O-N 3.05Å
271	E	86	Confident	80.1	Confident	75 Å²	75	97.4 Å²	97.4	35%	0.35	52%	0.517	S	S	.	.	H	α-helix	trans	-70	-35.8	177.3	-64.1	156.6	156.2	0	0	110.8	Y265 M267 S268 A274 R275	Y265-E271 PolarHBondContact OH-OE1 3.29Å; Y265-E271 VanDerWaalsContact OH-OE1 3.09Å; Y265-E271 PolarHBondContact OH-OE2 3.09Å; M267-E271 VanDerWaalsContact CE-C 3.45Å; M267-E271 HydrophobicContact CE-CB 3.29Å; S268-E271 WeakPolarHBondContact CB-OE2 3.32Å; S268-E271 PolarHBondContact N-OE2 3.42Å; S268-E271 PolarHBondContact O-N 2.95Å; S268-E271 WeakPolarHBondContact OG-CG 3.44Å; S268-E271 PolarHBondContact OG-N 2.66Å; S268-E271 PolarHBondContact OG-OE2 3.12Å; E271-A274 PolarHBondContact O-N 3.08Å; E271-R275 VanDerWaalsContact O-CB 3.28Å; E271-R275 WeakPolarHBondContact O-CB 3.43Å; E271-R275 PolarHBondContact O-N 3.27Å
272	E	90.3	Very high	83	Confident	108 Å²	108	92 Å²	92	51%	0.505	50%	0.499	S	S	.	.	H	α-helix	trans	-60.6	-50.2	172.6	-70.4	-179.2	166.9	0	0	111.4	M267 S268 R270 A274 R275 E276	M267-E272 HydrophobicContact CB-CG 3.78Å; S268-E272 PolarHBondContact O-N 3.37Å; R270-E272 VanDerWaalsContact C-N 3.34Å; E272-A274 VanDerWaalsContact C-N 3.34Å; E272-A274 PolarHBondContact O-N 3.5Å; E272-R275 PolarHBondContact O-N 2.93Å; E272-E276 WeakPolarHBondContact O-CB 3.42Å; E272-E276 PolarHBondContact O-N 3.25Å
273	S	93	Very high	85.6	Confident	74 Å²	74	93.7 Å²	93.7	52%	0.517	48%	0.478	S	S	.	.	H	α-helix	trans	-62	-40	177.2	176	0	0	0	0	112.3	P269 E276 Y277	P269-S273 WeakPolarHBondContact O-CB 3.34Å; P269-S273 PolarHBondContact O-N 3.34Å; S273-E276 PolarHBondContact O-N 3.17Å; S273-Y277 WeakPolarHBondContact O-CB 3.18Å; S273-Y277 PolarHBondContact O-N 2.82Å
274	A	93.3	Very high	88.3	Confident	27 Å²	27	87.4 Å²	87.4	22%	0.223	46%	0.456	C	S	.	.	H	α-helix	trans	-63.7	-43.1	175.3	0	0	0	0	0	111.9	R270 E271 E272 Y277 L278 P308	R270-A274 WeakPolarHBondContact O-CB 3.25Å; R270-A274 PolarHBondContact O-N 3.05Å; E271-A274 PolarHBondContact O-N 3.08Å; E272-A274 VanDerWaalsContact C-N 3.34Å; E272-A274 PolarHBondContact O-N 3.5Å; A274-Y277 PolarHBondContact O-N 3.27Å; A274-L278 WeakPolarHBondContact O-CG 3.47Å; A274-L278 PolarHBondContact O-N 2.86Å; A274-P308 HydrophobicContact CB-CB 3.81Å; A274-P308 HydrophobicContact CB-CG 3.84Å
275	R	93.8	Very high	90.6	Very high	154 Å²	154	84.5 Å²	84.5	58%	0.581	42%	0.424	S	S	*	.	H	α-helix	trans	-64	-44.6	176.3	-177.7	-177.4	173.5	102.8	3.1	111.2	E271 E272 L278 L279	E271-R275 VanDerWaalsContact O-CB 3.28Å; E271-R275 WeakPolarHBondContact O-CB 3.43Å; E271-R275 PolarHBondContact O-N 3.27Å; E272-R275 PolarHBondContact O-N 2.93Å; R275-L278 PolarHBondContact O-N 2.89Å; R275-L279 HydrophobicContact CG-CD1 4.01Å; R275-L279 VanDerWaalsContact O-CG 3.28Å; R275-L279 WeakPolarHBondContact O-CG 3.49Å; R275-L279 PolarHBondContact O-N 3.44Å
276	E	96.1	Very high	92.2	Very high	131 Å²	131	81.9 Å²	81.9	61%	0.612	42%	0.418	S	S	*	.	H	α-helix	trans	-61.7	-43.4	176.9	-174.2	177.9	-169.7	0	0	111.6	E272 S273 L278 L279 S280	E272-E276 WeakPolarHBondContact O-CB 3.42Å; E272-E276 PolarHBondContact O-N 3.25Å; S273-E276 PolarHBondContact O-N 3.17Å; E276-L278 PolarHBondContact O-N 2.93Å; E276-L279 PolarHBondContact O-N 3.45Å; E276-S280 WeakPolarHBondContact O-CB 3.2Å; E276-S280 PolarHBondContact O-N 3.25Å; E276-S280 PolarHBondContact O-OG 3.24Å
277	Y	97.9	Very high	93.4	Very high	53 Å²	53	76.5 Å²	76.5	21%	0.208	39%	0.394	C	S	.	.	H	α-helix	trans	-57.6	-51.3	174.1	-175.7	-79	0	0	0	110.8	S273 A274 L279 S280 A281 E306 I307 P308	S273-Y277 WeakPolarHBondContact O-CB 3.18Å; S273-Y277 PolarHBondContact O-N 2.82Å; A274-Y277 PolarHBondContact O-N 3.27Å; Y277-L279 PolarHBondContact O-N 2.97Å; Y277-S280 PolarHBondContact O-N 3.33Å; Y277-A281 HydrophobicContact CD1-CB 3.78Å; Y277-A281 HydrophobicContact CD2-CB 4.46Å; Y277-A281 HydrophobicContact CE1-CB 3.51Å; Y277-A281 HydrophobicContact CE2-CB 4.24Å; Y277-A281 HydrophobicContact CG-CB 4.26Å; Y277-A281 WeakPolarHBondContact O-CB 3.41Å; Y277-A281 PolarHBondContact O-N 3.06Å; Y277-E306 HydrophobicContact CE2-CB 4.28Å; Y277-I307 HydrophobicContact CE1-CB 4.3Å; Y277-I307 HydrophobicContact CE1-CG1 4.25Å; Y277-I307 HydrophobicContact CE1-CG2 4.35Å; Y277-P308 HydrophobicContact CD1-CG 4.03Å; Y277-P308 HydrophobicContact CG-CG 4.26Å
278	L	97.8	Very high	94.2	Very high	6 Å²	6	80.8 Å²	80.8	3%	0.031	41%	0.413	C	S	.	.	H	α-helix	trans	-61.7	-29.8	-179	-69.7	172.4	0	0	0	112.8	A274 R275 E276 I307 P308 N310 C529 R532 Q533	A274-L278 WeakPolarHBondContact O-CG 3.47Å; A274-L278 PolarHBondContact O-N 2.86Å; R275-L278 PolarHBondContact O-N 2.89Å; E276-L278 PolarHBondContact O-N 2.93Å; L278-I307 HydrophobicContact CD2-CG2 4.07Å; L278-P308 HydrophobicContact CD1-CB 4.37Å; L278-P308 HydrophobicContact CG-CB 4.33Å; L278-P308 HydrophobicContact CG-CG 4.24Å; L278-N310 HydrophobicContact CD1-CB 3.84Å; L278-C529 HydrophobicContact CD2-CB 3.95Å; L278-C529 WeakPolarHBondContact O-CB 3.23Å; L278-R532 HydrophobicContact CD2-CB 4.01Å; L278-Q533 VanDerWaalsContact C-NE2 3.3Å; L278-Q533 HydrophobicContact CB-CG 3.78Å; L278-Q533 HydrophobicContact CD1-CG 4.33Å; L278-Q533 PolarHBondContact O-NE2 2.96Å
279	L	96.4	Very high	94.8	Very high	105 Å²	105	82.3 Å²	82.3	55%	0.55	42%	0.416	S	S	.	.	H	α-helix	trans	-80.6	-27.9	178.8	-72.1	168.9	0	0	0	113.7	R275 E276 Y277	R275-L279 HydrophobicContact CG-CD1 4.01Å; R275-L279 VanDerWaalsContact O-CG 3.28Å; R275-L279 WeakPolarHBondContact O-CG 3.49Å; R275-L279 PolarHBondContact O-N 3.44Å; E276-L279 PolarHBondContact O-N 3.45Å; Y277-L279 PolarHBondContact O-N 2.97Å
280	S	96.4	Very high	95.3	Very high	81 Å²	81	77.4 Å²	77.4	57%	0.566	38%	0.384	S	S	*	.	H	α-helix	trans	-114.5	-24.6	-168.5	62.2	0	0	0	0	114.8	E276 Y277 S282	E276-S280 WeakPolarHBondContact O-CB 3.2Å; E276-S280 PolarHBondContact O-N 3.25Å; E276-S280 PolarHBondContact O-OG 3.24Å; Y277-S280 PolarHBondContact O-N 3.33Å; S280-S282 PolarHBondContact O-N 2.92Å
281	A	97.9	Very high	95.8	Very high	14 Å²	14	70.9 Å²	70.9	12%	0.116	36%	0.361	C	S	.	.			trans	-62.2	129.5	-178	0	0	0	0	0	111.1	Y277 L525	Y277-A281 HydrophobicContact CD1-CB 3.78Å; Y277-A281 HydrophobicContact CD2-CB 4.46Å; Y277-A281 HydrophobicContact CE1-CB 3.51Å; Y277-A281 HydrophobicContact CE2-CB 4.24Å; Y277-A281 HydrophobicContact CG-CB 4.26Å; Y277-A281 WeakPolarHBondContact O-CB 3.41Å; Y277-A281 PolarHBondContact O-N 3.06Å; A281-L525 HydrophobicContact CB-CD2 4.26Å; A281-L525 HydrophobicContact CB-CG 4.29Å
282	S	98.1	Very high	96.3	Very high	62 Å²	62	73.4 Å²	73.4	43%	0.434	37%	0.373	S	S	.	.			trans	-156	137.6	-174.9	169.9	0	0	0	0	109.5	S280 D523	S280-S282 PolarHBondContact O-N 2.92Å; S282-D523 WeakPolarHBondContact CA-OD2 3.49Å; S282-D523 VanDerWaalsContact CB-OD2 3.3Å; S282-D523 WeakPolarHBondContact CB-OD2 3.38Å; S282-D523 PolarHBondContact OG-OD2 2.88Å
283	R	97.9	Very high	96.6	Very high	124 Å²	124	68.9 Å²	68.9	47%	0.468	35%	0.351	S	S	.	.			trans	-143.3	86.7	172.9	-174.1	72.2	-168.3	-168.4	3.5	108.5	L285 D523 L525	R283-L285 HydrophobicContact CG-CD2 3.93Å; R283-D523 VanDerWaalsContact N-CG 3.32Å; R283-D523 PolarHBondContact N-OD1 3.02Å; R283-D523 PolarHBondContact N-OD2 3.03Å; R283-L525 HydrophobicContact CB-CB 3.99Å; R283-L525 HydrophobicContact CB-CD2 3.87Å
284	V	98.4	Very high	96.7	Very high	70 Å²	70	65.3 Å²	65.3	42%	0.424	33%	0.327	S	S	.	.			trans	-67.7	130.1	173.9	-174.7	0	0	0	0	109.3	V521 D523	V284-V521 HydrophobicContact CG1-CB 3.76Å; V284-V521 HydrophobicContact CG1-CG1 4.13Å; V284-V521 HydrophobicContact CG1-CG2 3.82Å; V284-D523 HydrophobicContact CG2-CB 4.38Å
285	L	98.3	Very high	96.8	Very high	4 Å²	4	70.7 Å²	70.7	2%	0.021	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-119.8	126.4	-179.2	-56	170.8	0	0	0	109.6	R283 E289 L290 K293 V521 V522	R283-L285 HydrophobicContact CG-CD2 3.93Å; L285-E289 HydrophobicContact CB-CB 4.45Å; L285-E289 HydrophobicContact CD2-CB 4.16Å; L285-L290 HydrophobicContact CB-CB 4.21Å; L285-L290 HydrophobicContact CD1-CD1 4.13Å; L285-K293 HydrophobicContact CD1-CD 3.68Å; L285-K293 HydrophobicContact CD2-CD 3.76Å; L285-K293 HydrophobicContact CG-CD 4.37Å; L285-V521 WeakPolarHBondContact O-CA 3.33Å; L285-V522 HydrophobicContact CB-CG2 4.12Å; L285-V522 PolarHBondContact N-O 3.21Å; L285-V522 PolarHBondContact O-N 3.41Å; L285-V522 VanDerWaalsContact O-N 3.11Å
286	Q	97.1	Very high	96.9	Very high	108 Å²	108	66.4 Å²	66.4	51%	0.505	34%	0.339	S	S	.	.			trans	-75.8	170.5	163	-63.4	-68.3	-17	0	0	110.4	E288 E289 L290	Q286-E288 PolarHBondContact O-N 3.44Å; Q286-E289 PolarHBondContact N-OE2 3.26Å; Q286-E289 VanDerWaalsContact N-OE2 3.12Å; Q286-E289 PolarHBondContact O-N 3.47Å; Q286-L290 VanDerWaalsContact O-CB 3.3Å; Q286-L290 WeakPolarHBondContact O-CB 3.41Å; Q286-L290 PolarHBondContact O-N 3.21Å
287	A	95.3	Very high	96.8	Very high	29 Å²	29	62.6 Å²	62.6	24%	0.24	33%	0.326	C	S	.	.	H	α-helix	trans	-52.5	-50.2	-178.8	0	0	0	0	0	113.7	L290 H291 E556	A287-L290 WeakPolarHBondContact O-CB 3.48Å; A287-L290 PolarHBondContact O-N 3.31Å; A287-H291 PolarHBondContact O-CD2 3.22Å; A287-H291 VanDerWaalsContact O-CG 3.28Å; A287-H291 PolarHBondContact O-N 3Å; A287-H291 VanDerWaalsContact O-N 3.08Å; A287-E556 HydrophobicContact CB-CG 3.88Å; A287-E556 VanDerWaalsContact CB-OE1 3.28Å; A287-E556 WeakPolarHBondContact CB-OE1 3.3Å
288	E	95.8	Very high	96.7	Very high	142 Å²	142	67.7 Å²	67.7	66%	0.664	35%	0.35	S	S	*	.	H	α-helix	trans	-61.7	-49.4	179.7	-173.6	172.6	-158.1	0	0	111.6	Q286 L290 H291 E292	Q286-E288 PolarHBondContact O-N 3.44Å; E288-L290 VanDerWaalsContact C-N 3.3Å; E288-L290 PolarHBondContact O-N 3.39Å; E288-H291 PolarHBondContact O-N 3.04Å; E288-H291 VanDerWaalsContact O-N 3.16Å; E288-E292 WeakPolarHBondContact O-CG 3.45Å; E288-E292 PolarHBondContact O-N 2.88Å
289	E	97.4	Very high	96.6	Very high	77 Å²	77	71.6 Å²	71.6	36%	0.36	37%	0.37	S	S	.	.	H	α-helix	trans	-61.7	-37.4	178.2	-62.9	-179.1	123.5	0	0	112.2	L285 Q286 K293	L285-E289 HydrophobicContact CB-CB 4.45Å; L285-E289 HydrophobicContact CD2-CB 4.16Å; Q286-E289 PolarHBondContact N-OE2 3.26Å; Q286-E289 VanDerWaalsContact N-OE2 3.12Å; Q286-E289 PolarHBondContact O-N 3.47Å; E289-K293 WeakPolarHBondContact O-CB 3.35Å; E289-K293 PolarHBondContact O-N 2.86Å
290	L	97.7	Very high	96.7	Very high	1 Å²	1	66.6 Å²	66.6	1%	0.005	34%	0.344	C	S	.	.	H	α-helix	trans	-62.4	-44.3	176	173.4	62.2	0	0	0	111	L285 Q286 A287 E288 A294 V522 I524 M552 E556	L285-L290 HydrophobicContact CB-CB 4.21Å; L285-L290 HydrophobicContact CD1-CD1 4.13Å; Q286-L290 VanDerWaalsContact O-CB 3.3Å; Q286-L290 WeakPolarHBondContact O-CB 3.41Å; Q286-L290 PolarHBondContact O-N 3.21Å; A287-L290 WeakPolarHBondContact O-CB 3.48Å; A287-L290 PolarHBondContact O-N 3.31Å; E288-L290 VanDerWaalsContact C-N 3.3Å; E288-L290 PolarHBondContact O-N 3.39Å; L290-A294 WeakPolarHBondContact O-CB 3.16Å; L290-A294 PolarHBondContact O-N 2.86Å; L290-V522 HydrophobicContact CD1-CG2 3.91Å; L290-V522 HydrophobicContact CD2-CG2 3.87Å; L290-V522 HydrophobicContact CG-CG2 4.33Å; L290-I524 HydrophobicContact CD1-CD1 3.98Å; L290-M552 HydrophobicContact CD1-CB 4.1Å; L290-M552 HydrophobicContact CD2-CB 4.17Å; L290-E556 HydrophobicContact CD2-CB 4.1Å; L290-E556 HydrophobicContact CD2-CG 4.46Å
291	H	96.8	Very high	96.7	Very high	43 Å²	43	66.7 Å²	66.7	20%	0.199	34%	0.335	C	S	.	.	H	α-helix	trans	-67.3	-44.5	178.6	-61.4	-36.1	0	0	0	112.4	A287 E288 L295 S553 E556	A287-H291 PolarHBondContact O-CD2 3.22Å; A287-H291 VanDerWaalsContact O-CG 3.28Å; A287-H291 PolarHBondContact O-N 3Å; A287-H291 VanDerWaalsContact O-N 3.08Å; E288-H291 PolarHBondContact O-N 3.04Å; E288-H291 VanDerWaalsContact O-N 3.16Å; H291-L295 WeakPolarHBondContact O-CG 3.28Å; H291-L295 PolarHBondContact O-N 2.84Å; H291-S553 PolarHBondContact CE1-O 2.83Å; H291-S553 PolarHBondContact ND1-OG 3.43Å; H291-E556 IonicContact CE1-OE2 3.09Å; H291-E556 PolarHBondContact CE1-OE2 2.93Å; H291-E556 IonicContact NE2-OE2 3.04Å; H291-E556 PolarHBondContact NE2-OE2 3.44Å
292	E	97.1	Very high	96.7	Very high	128 Å²	128	68.5 Å²	68.5	60%	0.598	35%	0.35	S	S	*	.	H	α-helix	trans	-63	-49.7	177.4	-70.5	-170.5	156.8	0	0	111.1	E288 A294 L295 D296	E288-E292 WeakPolarHBondContact O-CG 3.45Å; E288-E292 PolarHBondContact O-N 2.88Å; E292-A294 VanDerWaalsContact C-N 3.31Å; E292-A294 PolarHBondContact O-N 2.58Å; E292-L295 PolarHBondContact O-N 3.32Å; E292-D296 PolarHBondContact O-N 3.03Å
293	K	96.2	Very high	96.7	Very high	13 Å²	13	66.6 Å²	66.6	6%	0.057	34%	0.335	C	S	.	.	H	α-helix	trans	-62.8	-37.8	-179.4	-168.6	-178.2	179.8	82.3	0	111.8	L285 E289 L295 D296 L299 L300 E303	L285-K293 HydrophobicContact CD1-CD 3.68Å; L285-K293 HydrophobicContact CD2-CD 3.76Å; L285-K293 HydrophobicContact CG-CD 4.37Å; E289-K293 WeakPolarHBondContact O-CB 3.35Å; E289-K293 PolarHBondContact O-N 2.86Å; K293-L295 PolarHBondContact O-N 3.42Å; K293-D296 PolarHBondContact O-N 2.97Å; K293-D296 VanDerWaalsContact O-N 3.12Å; K293-L299 HydrophobicContact CG-CD2 4.24Å; K293-L300 HydrophobicContact CD-CD2 4.27Å; K293-L300 HydrophobicContact CG-CD2 3.93Å; K293-L300 HydrophobicContact CG-CG 4.3Å; K293-L300 VanDerWaalsContact O-CD1 3.23Å; K293-L300 WeakPolarHBondContact O-CD1 3.34Å; K293-E303 VanDerWaalsContact CE-OE1 3.3Å; K293-E303 WeakPolarHBondContact CE-OE1 3.23Å; K293-E303 WeakPolarHBondContact CE-OE2 3.27Å; K293-E303 IonicContact NZ-OE1 3Å; K293-E303 PolarHBondContact NZ-OE1 3.45Å; K293-E303 IonicContact NZ-OE2 3.89Å; K293-E303 PolarHBondContact NZ-OE2 3.49Å
294	A	94.8	Very high	96.7	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-59.7	-28	174.9	0	0	0	0	0	112.4	L290 E292 H549 H550	L290-A294 WeakPolarHBondContact O-CB 3.16Å; L290-A294 PolarHBondContact O-N 2.86Å; E292-A294 VanDerWaalsContact C-N 3.31Å; E292-A294 PolarHBondContact O-N 2.58Å; A294-H549 HydrophobicContact CB-CB 4.04Å; A294-H550 PolarHBondContact O-CE1 2.88Å; A294-H550 PolarHBondContact O-ND1 2.85Å
295	L	95.1	Very high	96.7	Very high	139 Å²	139	62.7 Å²	62.7	73%	0.728	32%	0.316	S	S	*	.	H	α-helix	trans	-90.7	-5.6	179.3	-63.2	173.9	0	0	0	113.8	H291 E292 K293 P297	H291-L295 WeakPolarHBondContact O-CG 3.28Å; H291-L295 PolarHBondContact O-N 2.84Å; E292-L295 PolarHBondContact O-N 3.32Å; K293-L295 PolarHBondContact O-N 3.42Å; L295-P297 WeakPolarHBondContact O-CD 3.49Å
296	D	96.1	Very high	96.6	Very high	64 Å²	64	68.7 Å²	68.7	34%	0.342	34%	0.344	S	S	.	.			trans	-104.8	89.6	178.7	-170	-17.6	0	0	0	111.6	E292 K293 F298 L299 L300	E292-D296 PolarHBondContact O-N 3.03Å; K293-D296 PolarHBondContact O-N 2.97Å; K293-D296 VanDerWaalsContact O-N 3.12Å; D296-F298 VanDerWaalsContact C-N 3.26Å; D296-F298 PolarHBondContact O-N 3.21Å; D296-F298 PolarHBondContact OD1-N 3.12Å; D296-F298 VanDerWaalsContact OD1-N 3.08Å; D296-L299 HydrophobicContact CB-CB 4.16Å; D296-L299 PolarHBondContact OD1-N 2.96Å; D296-L300 WeakPolarHBondContact O-CG 3.47Å; D296-L300 PolarHBondContact O-N 3.48Å
297	P	94.1	Very high	96.7	Very high	52 Å²	52	63.8 Å²	63.8	34%	0.338	32%	0.321	S	S	.	.	H	α-helix	trans	-66.6	-26.9	-179.6	27.5	-35.4	0	0	0	112.9	L295 Q301	L295-P297 WeakPolarHBondContact O-CD 3.49Å; P297-Q301 WeakPolarHBondContact O-CB 3.37Å; P297-Q301 PolarHBondContact O-N 2.73Å
298	F	96.3	Very high	96.8	Very high	159 Å²	159	63.6 Å²	63.6	70%	0.697	32%	0.317	S	S	*	.	H	α-helix	trans	-73.3	-42.6	-177.3	-66	-72.8	0	0	0	111.1	D296 Q301 A302	D296-F298 VanDerWaalsContact C-N 3.26Å; D296-F298 PolarHBondContact O-N 3.21Å; D296-F298 PolarHBondContact OD1-N 3.12Å; D296-F298 VanDerWaalsContact OD1-N 3.08Å; F298-Q301 PolarHBondContact O-N 2.87Å; F298-A302 PolarHBondContact O-N 3.13Å
299	L	96.3	Very high	96.9	Very high	88 Å²	88	59.4 Å²	59.4	46%	0.461	30%	0.298	S	S	.	.	H	α-helix	trans	-64.8	-43.6	175.8	-173.1	71.5	0	0	0	111.3	K293 D296 Q301 A302 E303	K293-L299 HydrophobicContact CG-CD2 4.24Å; D296-L299 HydrophobicContact CB-CB 4.16Å; D296-L299 PolarHBondContact OD1-N 2.96Å; L299-Q301 VanDerWaalsContact C-N 3.32Å; L299-Q301 PolarHBondContact O-N 3.14Å; L299-A302 PolarHBondContact O-N 2.78Å; L299-E303 WeakPolarHBondContact O-CB 3.34Å; L299-E303 PolarHBondContact O-N 2.83Å
300	L	97.6	Very high	96.9	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-63	-39.7	176.9	-74.3	172	0	0	0	112.4	K293 D296 F304 Y545 Q546 H549	K293-L300 HydrophobicContact CD-CD2 4.27Å; K293-L300 HydrophobicContact CG-CD2 3.93Å; K293-L300 HydrophobicContact CG-CG 4.3Å; K293-L300 VanDerWaalsContact O-CD1 3.23Å; K293-L300 WeakPolarHBondContact O-CD1 3.34Å; D296-L300 WeakPolarHBondContact O-CG 3.47Å; D296-L300 PolarHBondContact O-N 3.48Å; L300-F304 VanDerWaalsContact O-CB 3.26Å; L300-F304 WeakPolarHBondContact O-CB 3.5Å; L300-F304 PolarHBondContact O-N 2.98Å; L300-Y545 HydrophobicContact CD2-CD1 4.11Å; L300-Y545 HydrophobicContact CD2-CE1 3.84Å; L300-Q546 HydrophobicContact CD1-CB 4.04Å; L300-Q546 HydrophobicContact CD1-CG 3.86Å; L300-H549 HydrophobicContact CD1-CB 4.35Å; L300-H549 WeakPolarHBondContact CD2-CE1 3.45Å; L300-H549 WeakPolarHBondContact CD2-NE2 3.28Å
301	Q	96.9	Very high	96.8	Very high	83 Å²	83	62.6 Å²	62.6	39%	0.388	31%	0.314	S	S	.	.	H	α-helix	trans	-64.8	-46.3	176.7	-175.5	175.7	52.5	0	0	112	P297 F298 L299 F304 F305 C542	P297-Q301 WeakPolarHBondContact O-CB 3.37Å; P297-Q301 PolarHBondContact O-N 2.73Å; F298-Q301 PolarHBondContact O-N 2.87Å; L299-Q301 VanDerWaalsContact C-N 3.32Å; L299-Q301 PolarHBondContact O-N 3.14Å; Q301-F304 PolarHBondContact O-N 3Å; Q301-F305 HydrophobicContact CG-CD2 3.66Å; Q301-F305 HydrophobicContact CG-CE2 3.37Å; Q301-F305 WeakPolarHBondContact O-CD2 3.41Å; Q301-F305 PolarHBondContact O-N 3.37Å; Q301-C542 WeakPolarHBondContact CA-SG 3.36Å; Q301-C542 VanDerWaalsContact CB-SG 3.57Å
302	A	97.6	Very high	96.7	Very high	52 Å²	52	61 Å²	61	43%	0.43	31%	0.307	S	S	.	.	H	α-helix	trans	-58.9	-49.7	176.6	0	0	0	0	0	111.1	F298 L299 F304 F305 E306	F298-A302 PolarHBondContact O-N 3.13Å; L299-A302 PolarHBondContact O-N 2.78Å; A302-F304 PolarHBondContact O-N 2.86Å; A302-F305 PolarHBondContact O-N 2.77Å; A302-E306 PolarHBondContact O-N 2.97Å
303	E	98.1	Very high	96.4	Very high	22 Å²	22	58.5 Å²	58.5	10%	0.103	30%	0.297	C	S	.	.	H	α-helix	trans	-60.2	-44.5	178.2	-175.4	176.7	88.9	0	0	112	K293 L299 F305 E306 I307 L525 Y545	K293-E303 VanDerWaalsContact CE-OE1 3.3Å; K293-E303 WeakPolarHBondContact CE-OE1 3.23Å; K293-E303 WeakPolarHBondContact CE-OE2 3.27Å; K293-E303 IonicContact NZ-OE1 3Å; K293-E303 PolarHBondContact NZ-OE1 3.45Å; K293-E303 IonicContact NZ-OE2 3.89Å; K293-E303 PolarHBondContact NZ-OE2 3.49Å; L299-E303 WeakPolarHBondContact O-CB 3.34Å; L299-E303 PolarHBondContact O-N 2.83Å; E303-F305 PolarHBondContact O-N 2.92Å; E303-E306 PolarHBondContact O-N 2.82Å; E303-I307 WeakPolarHBondContact O-CG1 3.41Å; E303-L525 HydrophobicContact CG-CD1 4.11Å; E303-L525 HydrophobicContact CG-CD2 4.3Å; E303-Y545 WeakPolarHBondContact OE1-CE1 3.48Å; E303-Y545 PolarHBondContact OE1-OH 3.5Å
304	F	98.3	Very high	96.1	Very high	8 Å²	8	61.2 Å²	61.2	4%	0.035	32%	0.317	C	S	.	.	H	α-helix	trans	-61.2	-40.9	-178.6	178.1	-100.6	0	0	0	113.1	L300 Q301 A302 E306 I307 R532 I539 T541 C542 Y545	L300-F304 VanDerWaalsContact O-CB 3.26Å; L300-F304 WeakPolarHBondContact O-CB 3.5Å; L300-F304 PolarHBondContact O-N 2.98Å; Q301-F304 PolarHBondContact O-N 3Å; A302-F304 PolarHBondContact O-N 2.86Å; F304-E306 VanDerWaalsContact C-N 3.27Å; F304-E306 PolarHBondContact O-N 3.24Å; F304-I307 PolarHBondContact O-N 3.42Å; F304-R532 VanDerWaalsContact CZ-NH2 3.31Å; F304-I539 HydrophobicContact CE2-CG2 4.01Å; F304-I539 WeakPolarHBondContact CE2-O 3.12Å; F304-T541 VanDerWaalsContact CZ-C 3.44Å; F304-C542 HydrophobicContact CD1-CB 3.93Å; F304-C542 HydrophobicContact CE1-CB 4.42Å; F304-C542 HydrophobicContact CG-CB 4.4Å; F304-Y545 HydrophobicContact CB-CD1 3.92Å; F304-Y545 HydrophobicContact CB-CE1 4.43Å; F304-Y545 HydrophobicContact CB-CG 4.31Å; F304-Y545 HydrophobicContact CD2-CD1 4.16Å; F304-Y545 HydrophobicContact CD2-CD2 4.08Å; F304-Y545 AromaticContact CD2-CG 3.68Å; F304-Y545 HydrophobicContact CD2-CG 3.68Å; F304-Y545 HydrophobicContact CE2-CG 4.49Å; F304-Y545 HydrophobicContact CG-CD1 4.47Å; F304-Y545 HydrophobicContact CG-CG 4.38Å
305	F	97.4	Very high	95.8	Very high	105 Å²	105	69.6 Å²	69.6	46%	0.461	35%	0.353	S	S	.	.	H	α-helix	trans	-74.8	-15.4	-178.7	-74.8	-57.9	0	0	0	113.9	Q301 A302 E303	Q301-F305 HydrophobicContact CG-CD2 3.66Å; Q301-F305 HydrophobicContact CG-CE2 3.37Å; Q301-F305 WeakPolarHBondContact O-CD2 3.41Å; Q301-F305 PolarHBondContact O-N 3.37Å; A302-F305 PolarHBondContact O-N 2.77Å; E303-F305 PolarHBondContact O-N 2.92Å
306	E	97.3	Very high	95.4	Very high	130 Å²	130	67.8 Å²	67.8	61%	0.607	34%	0.341	S	S	*	.	H	α-helix	trans	-76.1	-26.5	170.5	-69.5	-177.8	177.5	0	0	112.1	Y277 A302 E303 F304 P308	Y277-E306 HydrophobicContact CE2-CB 4.28Å; A302-E306 PolarHBondContact O-N 2.97Å; E303-E306 PolarHBondContact O-N 2.82Å; F304-E306 VanDerWaalsContact C-N 3.27Å; F304-E306 PolarHBondContact O-N 3.24Å; E306-P308 VanDerWaalsContact O-CD 3.27Å; E306-P308 WeakPolarHBondContact O-CD 3.35Å
307	I	98.4	Very high	95.1	Very high	4 Å²	4	66 Å²	66	2%	0.021	33%	0.33	C	S	.	.	S	Bend	trans	-68.8	120.7	-178.2	-47	174.9	0	0	0	109.9	Y277 L278 E303 F304 L525 T528 R532 Y545	Y277-I307 HydrophobicContact CE1-CB 4.3Å; Y277-I307 HydrophobicContact CE1-CG1 4.25Å; Y277-I307 HydrophobicContact CE1-CG2 4.35Å; L278-I307 HydrophobicContact CD2-CG2 4.07Å; E303-I307 WeakPolarHBondContact O-CG1 3.41Å; F304-I307 PolarHBondContact O-N 3.42Å; I307-L525 HydrophobicContact CD1-CD1 3.62Å; I307-L525 HydrophobicContact CG1-CD1 3.71Å; I307-T528 HydrophobicContact CD1-CG2 3.91Å; I307-R532 VanDerWaalsContact CG2-NH1 3.31Å; I307-R532 PolarHBondContact O-NH1 3.27Å; I307-Y545 HydrophobicContact CD1-CE2 4.22Å
308	P	98.2	Very high	94.9	Very high	25 Å²	25	70.8 Å²	70.8	16%	0.162	35%	0.352	C	S	.	.			trans	-61.6	141.3	174.5	-22.8	34.1	0	0	0	111.8	A274 Y277 L278 E306 R532	A274-P308 HydrophobicContact CB-CB 3.81Å; A274-P308 HydrophobicContact CB-CG 3.84Å; Y277-P308 HydrophobicContact CD1-CG 4.03Å; Y277-P308 HydrophobicContact CG-CG 4.26Å; L278-P308 HydrophobicContact CD1-CB 4.37Å; L278-P308 HydrophobicContact CG-CB 4.33Å; L278-P308 HydrophobicContact CG-CG 4.24Å; E306-P308 VanDerWaalsContact O-CD 3.27Å; E306-P308 WeakPolarHBondContact O-CD 3.35Å; P308-R532 WeakPolarHBondContact O-CD 3.4Å; P308-R532 PolarHBondContact O-NH1 3.38Å
309	M	97.3	Very high	94.7	Very high	55 Å²	55	64.8 Å²	64.8	27%	0.271	33%	0.327	S	S	.	.			trans	-76	-24.1	179.5	-68.6	-63.2	-75.9	0	0	113.4	F311 R532 G536 G537	M309-F311 HydrophobicContact CB-CD2 3.59Å; M309-F311 HydrophobicContact CB-CE2 3.64Å; M309-F311 HydrophobicContact CB-CG 4.33Å; M309-F311 HydrophobicContact CB-CZ 4.4Å; M309-F311 HydrophobicContact CE-CE1 4.44Å; M309-F311 HydrophobicContact CE-CE2 3.48Å; M309-F311 VanDerWaalsContact CE-CE2 3.48Å; M309-F311 HydrophobicContact CE-CZ 3.4Å; M309-F311 HydrophobicContact CG-CD2 4.33Å; M309-F311 HydrophobicContact CG-CE2 3.95Å; M309-F311 PolarHBondContact O-N 3.18Å; M309-R532 PolarHBondContact SD-NH1 2.93Å; M309-R532 VanDerWaalsContact SD-NH1 3.37Å; M309-R532 PolarHBondContact SD-NH2 3.42Å; M309-G536 CarbonylContact O-C 3.56Å; M309-G536 VanDerWaalsContact O-CA 3.3Å; M309-G536 WeakPolarHBondContact O-CA 3.29Å; M309-G537 PolarHBondContact O-N 2.86Å
310	N	97.3	Very high	94.5	Very high	57 Å²	57	65.8 Å²	65.8	31%	0.305	34%	0.339	S	S	.	.			trans	53.1	34.6	-178.8	-159.8	41.4	0	0	0	114.8	L278 N334 R532 G536	L278-N310 HydrophobicContact CD1-CB 3.84Å; N310-N334 PolarHBondContact ND2-ND2 3.42Å; N310-N334 PolarHBondContact O-ND2 2.73Å; N310-N334 VanDerWaalsContact O-ND2 3.13Å; N310-R532 WeakPolarHBondContact CB-O 3.5Å; N310-R532 PolarHBondContact ND2-O 2.96Å; N310-G536 WeakPolarHBondContact O-CA 3.49Å
311	F	96.8	Very high	94.1	Very high	88 Å²	88	67.5 Å²	67.5	39%	0.386	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-67.3	144.4	171.5	-70.3	-55.4	0	0	0	110.6	M309 I500	M309-F311 HydrophobicContact CB-CD2 3.59Å; M309-F311 HydrophobicContact CB-CE2 3.64Å; M309-F311 HydrophobicContact CB-CG 4.33Å; M309-F311 HydrophobicContact CB-CZ 4.4Å; M309-F311 HydrophobicContact CE-CE1 4.44Å; M309-F311 HydrophobicContact CE-CE2 3.48Å; M309-F311 VanDerWaalsContact CE-CE2 3.48Å; M309-F311 HydrophobicContact CE-CZ 3.4Å; M309-F311 HydrophobicContact CG-CD2 4.33Å; M309-F311 HydrophobicContact CG-CE2 3.95Å; M309-F311 PolarHBondContact O-N 3.18Å; F311-I500 HydrophobicContact CE1-CD1 4.02Å; F311-I500 HydrophobicContact CZ-CD1 4.27Å
312	V	94.6	Very high	93.9	Very high	9 Å²	9	64.1 Å²	64.1	6%	0.055	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-77.9	139.6	175.7	-172.5	0	0	0	0	109.6	P314 E316 Y317 L332 N334	V312-P314 WeakPolarHBondContact O-CD 3.27Å; V312-E316 HydrophobicContact CG1-CB 3.85Å; V312-E316 VanDerWaalsContact CG1-CD 3.46Å; V312-E316 HydrophobicContact CG1-CG 4.14Å; V312-E316 WeakPolarHBondContact CG1-OE1 3.28Å; V312-Y317 HydrophobicContact CG1-CD2 4.12Å; V312-Y317 HydrophobicContact CG1-CE2 3.95Å; V312-L332 HydrophobicContact CB-CB 4.23Å; V312-N334 HydrophobicContact CG2-CB 4.19Å; V312-N334 WeakPolarHBondContact CG2-ND2 3.3Å
313	D	90.8	Very high	93.6	Very high	75 Å²	75	66.1 Å²	66.1	40%	0.401	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-69.1	126.6	169.5	-172.8	-30.2	0	0	0	108.5	K315 E316	D313-K315 PolarHBondContact O-N 3.41Å; D313-K315 WeakPolarHBondContact OD1-CB 3.43Å; D313-K315 WeakPolarHBondContact OD1-CG 3.42Å; D313-K315 PolarHBondContact OD1-N 3.45Å; D313-E316 HydrophobicContact CB-CG 4.38Å; D313-E316 PolarHBondContact N-OE1 3Å; D313-E316 WeakPolarHBondContact O-CB 3.38Å; D313-E316 PolarHBondContact O-N 3.22Å
314	P	89.9	Confident	93.5	Very high	71 Å²	71	74.2 Å²	74.2	46%	0.461	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-51	-24.1	174.9	-28.7	36.1	0	0	0	115.1	V312 E316 Y317 L332	V312-P314 WeakPolarHBondContact O-CD 3.27Å; P314-E316 PolarHBondContact O-N 2.8Å; P314-Y317 PolarHBondContact O-N 3.31Å; P314-Y317 VanDerWaalsContact O-N 3.15Å; P314-L332 HydrophobicContact CB-CD1 4.06Å; P314-L332 HydrophobicContact CG-CD1 4.13Å
315	K	88.1	Confident	93.4	Very high	176 Å²	176	74.9 Å²	74.9	77%	0.765	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-65.4	-21.6	174.2	-65.4	173.9	-175	172.9	0	114	D313 Y317	D313-K315 PolarHBondContact O-N 3.41Å; D313-K315 WeakPolarHBondContact OD1-CB 3.43Å; D313-K315 WeakPolarHBondContact OD1-CG 3.42Å; D313-K315 PolarHBondContact OD1-N 3.45Å; K315-Y317 PolarHBondContact O-N 2.85Å
316	E	87.1	Confident	93.4	Very high	101 Å²	101	70.7 Å²	70.7	47%	0.472	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-69.3	-17.8	174.1	-65.5	179.1	-126.9	0	0	112.1	V312 D313 P314	V312-E316 HydrophobicContact CG1-CB 3.85Å; V312-E316 VanDerWaalsContact CG1-CD 3.46Å; V312-E316 HydrophobicContact CG1-CG 4.14Å; V312-E316 WeakPolarHBondContact CG1-OE1 3.28Å; D313-E316 HydrophobicContact CB-CG 4.38Å; D313-E316 PolarHBondContact N-OE1 3Å; D313-E316 WeakPolarHBondContact O-CB 3.38Å; D313-E316 PolarHBondContact O-N 3.22Å; P314-E316 PolarHBondContact O-N 2.8Å
317	Y	89.1	Confident	93.4	Very high	27 Å²	27	66.6 Å²	66.6	11%	0.106	34%	0.342	C	S	.	.			trans	-110.9	84.6	177.8	-80.3	-76.8	0	0	0	111.5	V312 P314 K315 I319 L322 L332 P333 P335 Y353	V312-Y317 HydrophobicContact CG1-CD2 4.12Å; V312-Y317 HydrophobicContact CG1-CE2 3.95Å; P314-Y317 PolarHBondContact O-N 3.31Å; P314-Y317 VanDerWaalsContact O-N 3.15Å; K315-Y317 PolarHBondContact O-N 2.85Å; Y317-I319 HydrophobicContact CD1-CD1 4.04Å; Y317-I319 PolarHBondContact O-N 2.67Å; Y317-L322 HydrophobicContact CD1-CD2 3.92Å; Y317-L322 HydrophobicContact CG-CD2 3.95Å; Y317-L332 HydrophobicContact CD2-CB 4.16Å; Y317-L332 HydrophobicContact CD2-CD1 3.91Å; Y317-L332 HydrophobicContact CE2-CB 4.06Å; Y317-P333 VanDerWaalsContact CE2-O 3.24Å; Y317-P333 WeakPolarHBondContact CE2-O 3.27Å; Y317-P333 VanDerWaalsContact CZ-O 3.31Å; Y317-P333 WeakPolarHBondContact OH-CG 3.34Å; Y317-P333 PolarHBondContact OH-O 2.9Å; Y317-P335 HydrophobicContact CE2-CG 4.4Å; Y317-Y353 HydrophobicContact CD1-CE2 4.09Å; Y317-Y353 HydrophobicContact CE1-CD2 4.15Å; Y317-Y353 AromaticContact CE1-CE2 3.71Å; Y317-Y353 HydrophobicContact CE1-CE2 3.71Å
318	D	90.4	Very high	93.2	Very high	152 Å²	152	70.4 Å²	70.4	81%	0.813	36%	0.356	S	S	*	.			trans	-92.6	67.4	170.8	-168.1	20.4	0	0	0	111.3
319	I	91.2	Very high	93	Very high	33 Å²	33	77 Å²	77	17%	0.169	38%	0.382	C	S	.	.			trans	-116.5	113.8	178.9	-57.2	173.2	0	0	0	109.1	Y317 G321 L322 P349 L350 Y353	Y317-I319 HydrophobicContact CD1-CD1 4.04Å; Y317-I319 PolarHBondContact O-N 2.67Å; I319-G321 PolarHBondContact O-N 3.33Å; I319-L322 HydrophobicContact CB-CB 4.08Å; I319-L322 HydrophobicContact CB-CD1 4.2Å; I319-L322 HydrophobicContact CB-CD2 4.27Å; I319-L322 HydrophobicContact CB-CG 4.43Å; I319-L322 HydrophobicContact CD1-CD1 4.22Å; I319-L322 HydrophobicContact CG2-CB 4.38Å; I319-L322 HydrophobicContact CG2-CD1 4.26Å; I319-L322 WeakPolarHBondContact O-CB 3.35Å; I319-L322 PolarHBondContact O-N 3.31Å; I319-P349 HydrophobicContact CD1-CB 3.98Å; I319-P349 HydrophobicContact CG1-CB 3.98Å; I319-P349 HydrophobicContact CG2-CB 4.07Å; I319-L350 HydrophobicContact CG2-CB 4.04Å; I319-L350 HydrophobicContact CG2-CD1 4.17Å; I319-Y353 HydrophobicContact CD1-CD2 4.41Å
320	P	91.4	Very high	92.9	Very high	109 Å²	109	79.1 Å²	79.1	71%	0.708	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	132.6	174.8	-27.2	35.7	0	0	0	112.1	L322	P320-L322 VanDerWaalsContact C-N 3.3Å; P320-L322 PolarHBondContact O-N 3.34Å
321	G	90.4	Very high	92.9	Very high	36 Å²	36	77 Å²	77	37%	0.371	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.9	-4.9	178.9	0	0	0	0	0	115.6	I319 V323 R324	I319-G321 PolarHBondContact O-N 3.33Å; G321-V323 PolarHBondContact O-N 3.45Å; G321-V323 VanDerWaalsContact O-N 3.1Å; G321-R324 WeakPolarHBondContact O-CB 3.28Å; G321-R324 PolarHBondContact O-N 3.29Å
322	L	92.8	Very high	93	Very high	12 Å²	12	73.2 Å²	73.2	6%	0.063	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-56.8	-30.2	-177.2	-165.2	68.2	0	0	0	114.3	Y317 I319 P320 R324 K325 L350 Y353	Y317-L322 HydrophobicContact CD1-CD2 3.92Å; Y317-L322 HydrophobicContact CG-CD2 3.95Å; I319-L322 HydrophobicContact CB-CB 4.08Å; I319-L322 HydrophobicContact CB-CD1 4.2Å; I319-L322 HydrophobicContact CB-CD2 4.27Å; I319-L322 HydrophobicContact CB-CG 4.43Å; I319-L322 HydrophobicContact CD1-CD1 4.22Å; I319-L322 HydrophobicContact CG2-CB 4.38Å; I319-L322 HydrophobicContact CG2-CD1 4.26Å; I319-L322 WeakPolarHBondContact O-CB 3.35Å; I319-L322 PolarHBondContact O-N 3.31Å; P320-L322 VanDerWaalsContact C-N 3.3Å; P320-L322 PolarHBondContact O-N 3.34Å; L322-R324 PolarHBondContact O-N 3.18Å; L322-K325 PolarHBondContact O-N 2.94Å; L322-L350 HydrophobicContact CD1-CD1 4.44Å; L322-Y353 HydrophobicContact CD1-CD1 3.36Å; L322-Y353 HydrophobicContact CD1-CD2 3.55Å; L322-Y353 HydrophobicContact CD1-CE1 3.47Å; L322-Y353 VanDerWaalsContact CD1-CE1 3.47Å; L322-Y353 HydrophobicContact CD1-CE2 3.66Å; L322-Y353 HydrophobicContact CD1-CG 3.38Å; L322-Y353 HydrophobicContact CD2-CE2 4.31Å; L322-Y353 HydrophobicContact CG-CE1 4.26Å; L322-Y353 HydrophobicContact CG-CE2 4.43Å
323	V	91.6	Very high	93.1	Very high	94 Å²	94	72.8 Å²	72.8	57%	0.57	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-53.6	-27.5	176.4	70.2	0	0	0	0	112.6	G321 K325	G321-V323 PolarHBondContact O-N 3.45Å; G321-V323 VanDerWaalsContact O-N 3.1Å; V323-K325 VanDerWaalsContact C-N 3.32Å
324	R	94.4	Very high	93.5	Very high	192 Å²	192	69.7 Å²	69.7	73%	0.725	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-79.8	-11	178.7	-61.9	-177.1	177.4	178.3	-0.5	113.9	G321 L322 I376 S378	G321-R324 WeakPolarHBondContact O-CB 3.28Å; G321-R324 PolarHBondContact O-N 3.29Å; L322-R324 PolarHBondContact O-N 3.18Å; R324-I376 VanDerWaalsContact O-CD1 3.25Å; R324-I376 WeakPolarHBondContact O-CD1 3.45Å; R324-S378 PolarHBondContact O-OG 2.73Å
325	K	97.3	Very high	93.8	Very high	22 Å²	22	69 Å²	69	10%	0.096	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-4.9	179.4	-64.8	-161.8	170.9	-157.9	0	113.4	L322 V323 L350 Y353 Q373 T379 D382	L322-K325 PolarHBondContact O-N 2.94Å; V323-K325 VanDerWaalsContact C-N 3.32Å; K325-L350 HydrophobicContact CD-CD1 3.96Å; K325-L350 WeakPolarHBondContact CE-O 3.16Å; K325-L350 HydrophobicContact CG-CD1 4.33Å; K325-L350 PolarHBondContact NZ-O 3.41Å; K325-Y353 HydrophobicContact CB-CD1 3.81Å; K325-Y353 HydrophobicContact CB-CE1 3.85Å; K325-Y353 HydrophobicContact CD-CD1 3.82Å; K325-Y353 HydrophobicContact CG-CD1 4.44Å; K325-Y353 PolarHBondContact NZ-O 3.39Å; K325-Q373 PolarHBondContact O-NE2 2.97Å; K325-T379 HydrophobicContact CB-CG2 4Å; K325-T379 HydrophobicContact CG-CG2 4.12Å; K325-D382 WeakPolarHBondContact CD-OD2 3.36Å; K325-D382 WeakPolarHBondContact CE-OD2 3.49Å; K325-D382 IonicContact NZ-OD1 3.79Å; K325-D382 IonicContact NZ-OD2 3.91Å; K325-D382 PolarHBondContact NZ-OD2 3.34Å
326	N	97.1	Very high	94.2	Very high	16 Å²	16	67 Å²	67	9%	0.086	34%	0.34	C	S	.	.			trans	-113.6	120.6	-179.2	-67.7	-37.5	0	0	0	110.9	Y328 L332 Y353 N355	N326-Y328 VanDerWaalsContact C-N 3.26Å; N326-Y328 PolarHBondContact O-N 3.34Å; N326-L332 VanDerWaalsContact ND2-CD2 3.27Å; N326-L332 WeakPolarHBondContact ND2-CD2 3.36Å; N326-Y353 VanDerWaalsContact CG-OH 3.32Å; N326-Y353 PolarHBondContact ND2-OH 2.65Å; N326-Y353 WeakPolarHBondContact OD1-CE1 3.4Å; N326-Y353 PolarHBondContact OD1-OH 2.86Å; N326-N355 WeakPolarHBondContact OD1-CB 3.41Å; N326-N355 PolarHBondContact OD1-ND2 2.86Å
327	R	96.3	Very high	94.8	Very high	45 Å²	45	62.9 Å²	62.9	17%	0.17	32%	0.323	C	S	.	.	S	Bend	trans	-64.4	-35.4	173.1	-175	177.4	-73.9	-84.1	0.9	111.2	G374 P375 I376 E406 K407 S497	R327-G374 PolarHBondContact NE-O 3.14Å; R327-G374 PolarHBondContact NH2-O 3.21Å; R327-P375 PolarHBondContact NH2-O 2.71Å; R327-I376 HydrophobicContact CB-CG2 4.05Å; R327-I376 HydrophobicContact CG-CG2 4.18Å; R327-E406 PolarHBondContact NH1-O 2.83Å; R327-E406 VanDerWaalsContact NH1-O 3.16Å; R327-E406 IonicContact NH2-OE1 2.77Å; R327-K407 VanDerWaalsContact CZ-O 3.23Å; R327-K407 PolarHBondContact NE-O 2.82Å; R327-S497 WeakPolarHBondContact CD-OG 3.34Å
328	Y	95.3	Very high	95.2	Very high	83 Å²	83	65.2 Å²	65.2	33%	0.325	33%	0.331	S	S	.	.	S	Bend	trans	-127	126.2	178.4	-58.6	-78.1	0	0	0	110.7	N326 T330 I331 S497 A498	N326-Y328 VanDerWaalsContact C-N 3.26Å; N326-Y328 PolarHBondContact O-N 3.34Å; Y328-T330 VanDerWaalsContact C-N 3.25Å; Y328-T330 PolarHBondContact O-N 2.99Å; Y328-I331 HydrophobicContact CD2-CD1 4.16Å; Y328-I331 HydrophobicContact CG-CD1 4.09Å; Y328-I331 PolarHBondContact O-N 3.39Å; Y328-S497 PolarHBondContact OH-OG 3.4Å; Y328-S497 VanDerWaalsContact OH-OG 3.13Å; Y328-A498 HydrophobicContact CD2-CB 3.7Å; Y328-A498 HydrophobicContact CE2-CB 3.63Å
329	K	94.2	Very high	95.6	Very high	163 Å²	163	58 Å²	58	71%	0.709	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-27.8	-174.4	-64.7	-178.5	-179.9	178.4	0	114.2
330	T	94.4	Very high	95.9	Very high	100 Å²	100	58.8 Å²	58.8	61%	0.613	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	-1.6	-174.8	54.5	0	0	0	0	113.6	Y328	Y328-T330 VanDerWaalsContact C-N 3.25Å; Y328-T330 PolarHBondContact O-N 2.99Å
331	I	97.4	Very high	96.2	Very high	13 Å²	13	53.6 Å²	53.6	7%	0.067	27%	0.267	C	S	.	.			trans	-112.7	93.2	-179.9	-56	176	0	0	0	106.9	Y328 N355 A498 I500	Y328-I331 HydrophobicContact CD2-CD1 4.16Å; Y328-I331 HydrophobicContact CG-CD1 4.09Å; Y328-I331 PolarHBondContact O-N 3.39Å; I331-N355 PolarHBondContact O-ND2 3.35Å; I331-A498 HydrophobicContact CD1-CB 3.6Å; I331-I500 HydrophobicContact CD1-CD1 3.74Å; I331-I500 HydrophobicContact CD1-CG1 4.44Å; I331-I500 HydrophobicContact CG1-CD1 4.2Å; I331-I500 HydrophobicContact CG2-CD1 4.05Å; I331-I500 HydrophobicContact CG2-CG1 4.49Å; I331-I500 HydrophobicContact CG2-CG2 3.95Å
332	L	98.2	Very high	96.4	Very high	9 Å²	9	56 Å²	56	5%	0.047	27%	0.274	C	S	.	.			trans	-115.4	151	-175	-58.4	175.4	0	0	0	109.8	V312 P314 Y317 N326	V312-L332 HydrophobicContact CB-CB 4.23Å; P314-L332 HydrophobicContact CB-CD1 4.06Å; P314-L332 HydrophobicContact CG-CD1 4.13Å; Y317-L332 HydrophobicContact CD2-CB 4.16Å; Y317-L332 HydrophobicContact CD2-CD1 3.91Å; Y317-L332 HydrophobicContact CE2-CB 4.06Å; N326-L332 VanDerWaalsContact ND2-CD2 3.27Å; N326-L332 WeakPolarHBondContact ND2-CD2 3.36Å
333	P	98.4	Very high	96.3	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.296	C	S	.	.			trans	-72.3	136.3	178.4	28.4	-30.8	0	0	0	110.8	Y317 R338 Y353 N357	Y317-P333 VanDerWaalsContact CE2-O 3.24Å; Y317-P333 WeakPolarHBondContact CE2-O 3.27Å; Y317-P333 VanDerWaalsContact CZ-O 3.31Å; Y317-P333 WeakPolarHBondContact OH-CG 3.34Å; Y317-P333 PolarHBondContact OH-O 2.9Å; P333-R338 HydrophobicContact CB-CB 4.09Å; P333-R338 HydrophobicContact CG-CB 4.46Å; P333-Y353 WeakPolarHBondContact CD-OH 3.2Å; P333-Y353 HydrophobicContact CG-CE2 3.86Å; P333-N357 WeakPolarHBondContact CA-OD1 3.38Å; P333-N357 WeakPolarHBondContact CB-OD1 3.45Å
334	N	98.1	Very high	96.1	Very high	9 Å²	9	59 Å²	59	5%	0.048	30%	0.298	C	S	.	.			trans	-62.4	131.3	174	-64.5	80.1	0	0	0	110.8	N310 V312 H336 S337 R338 N357 R535 G536	N310-N334 PolarHBondContact ND2-ND2 3.42Å; N310-N334 PolarHBondContact O-ND2 2.73Å; N310-N334 VanDerWaalsContact O-ND2 3.13Å; V312-N334 HydrophobicContact CG2-CB 4.19Å; V312-N334 WeakPolarHBondContact CG2-ND2 3.3Å; N334-H336 VanDerWaalsContact C-N 3.31Å; N334-H336 VanDerWaalsContact CB-CE1 3.45Å; N334-H336 WeakPolarHBondContact CB-CE1 3.4Å; N334-H336 PolarHBondContact O-N 2.78Å; N334-S337 PolarHBondContact O-N 3.02Å; N334-S337 PolarHBondContact O-OG 3.02Å; N334-R338 PolarHBondContact O-N 3.26Å; N334-R338 VanDerWaalsContact O-N 3.09Å; N334-N357 PolarHBondContact N-ND2 2.93Å; N334-N357 VanDerWaalsContact N-ND2 3.14Å; N334-N357 PolarHBondContact O-ND2 3.04Å; N334-R535 WeakPolarHBondContact OD1-CA 3.38Å; N334-G536 PolarHBondContact OD1-N 3.12Å
335	P	96.6	Very high	95.9	Very high	56 Å²	56	53.2 Å²	53.2	36%	0.364	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-35	-171.4	-28.9	35.8	0	0	0	115.3	Y317 S337 R338	Y317-P335 HydrophobicContact CE2-CG 4.4Å; P335-S337 VanDerWaalsContact C-N 3.31Å; P335-S337 PolarHBondContact O-N 3.16Å; P335-R338 WeakPolarHBondContact O-CG 3.03Å
336	H	96.9	Very high	95.5	Very high	136 Å²	136	55.6 Å²	55.6	63%	0.63	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-22.6	-174.8	63.1	-81.2	0	0	0	114.2	N334 Q533	N334-H336 VanDerWaalsContact C-N 3.31Å; N334-H336 VanDerWaalsContact CB-CE1 3.45Å; N334-H336 WeakPolarHBondContact CB-CE1 3.4Å; N334-H336 PolarHBondContact O-N 2.78Å; H336-Q533 PolarHBondContact CE1-O 2.9Å; H336-Q533 PolarHBondContact NE2-O 3.34Å
337	S	98.4	Very high	95.2	Very high	14 Å²	14	61.8 Å²	61.8	10%	0.098	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	3.9	-176.5	57.8	0	0	0	0	112.5	N334 P335 N357 Y358 D534	N334-S337 PolarHBondContact O-N 3.02Å; N334-S337 PolarHBondContact O-OG 3.02Å; P335-S337 VanDerWaalsContact C-N 3.31Å; P335-S337 PolarHBondContact O-N 3.16Å; S337-N357 CarbonylContact O-C 3.53Å; S337-N357 VanDerWaalsContact O-CA 3.28Å; S337-N357 WeakPolarHBondContact O-CA 3.45Å; S337-N357 PolarHBondContact OG-ND2 3.47Å; S337-Y358 PolarHBondContact O-N 3.4Å; S337-D534 PolarHBondContact OG-O 3.03Å
338	R	98.2	Very high	95.1	Very high	75 Å²	75	62.2 Å²	62.2	28%	0.283	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	145.9	-177.3	76.2	-177.6	-179.1	89.9	-2.7	111.2	P333 N334 P335 C340 A356 N357	P333-R338 HydrophobicContact CB-CB 4.09Å; P333-R338 HydrophobicContact CG-CB 4.46Å; N334-R338 PolarHBondContact O-N 3.26Å; N334-R338 VanDerWaalsContact O-N 3.09Å; P335-R338 WeakPolarHBondContact O-CG 3.03Å; R338-C340 PolarHBondContact NH1-SG 3.15Å; R338-A356 WeakPolarHBondContact CA-O 3.45Å; R338-N357 PolarHBondContact N-ND2 3.37Å
339	V	98.7	Very high	94.9	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	129.6	168.8	-174.7	0	0	0	0	108.7	I354 A356 Y358 I370 M386	V339-I354 HydrophobicContact CB-CG2 4.09Å; V339-I354 HydrophobicContact CG1-CG2 4.32Å; V339-A356 HydrophobicContact CB-CB 4.13Å; V339-A356 HydrophobicContact CG2-CB 3.92Å; V339-A356 PolarHBondContact N-O 3Å; V339-Y358 HydrophobicContact CB-CE2 4.41Å; V339-Y358 HydrophobicContact CG2-CD1 4.33Å; V339-Y358 HydrophobicContact CG2-CD2 4.1Å; V339-Y358 HydrophobicContact CG2-CE1 4.21Å; V339-Y358 HydrophobicContact CG2-CE2 3.99Å; V339-Y358 HydrophobicContact CG2-CG 4.29Å; V339-I370 HydrophobicContact CG2-CD1 4.21Å; V339-I370 HydrophobicContact CG2-CG1 4.17Å; V339-I370 HydrophobicContact CG2-CG2 3.99Å; V339-M386 HydrophobicContact CB-SD 4.25Å; V339-M386 HydrophobicContact CG1-CG 4.01Å; V339-M386 HydrophobicContact CG1-SD 4.01Å; V339-M386 HydrophobicContact CG2-SD 4.31Å
340	C	98.1	Very high	95	Very high	50 Å²	50	56.2 Å²	56.2	34%	0.338	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	120.8	177.6	-57.6	0	0	0	0	109	R338 T342 Q389	R338-C340 PolarHBondContact NH1-SG 3.15Å; C340-T342 PolarHBondContact O-N 3.15Å; C340-Q389 PolarHBondContact O-NE2 3.5Å
341	L	97.6	Very high	94.9	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	31%	0.305	C	S	.	.			trans	-73.5	124.4	172	-56.7	179.6	0	0	0	109	S352 I354 D382 R385 M386	L341-S352 PolarHBondContact N-O 2.86Å; L341-S352 VanDerWaalsContact O-CA 3.25Å; L341-S352 WeakPolarHBondContact O-CA 3.36Å; L341-S352 VanDerWaalsContact O-CB 3.25Å; L341-S352 WeakPolarHBondContact O-CB 3.07Å; L341-I354 HydrophobicContact CD1-CB 4.19Å; L341-I354 HydrophobicContact CD1-CG2 4.49Å; L341-I354 HydrophobicContact CD2-CG2 4.13Å; L341-I354 HydrophobicContact CG-CB 4.28Å; L341-I354 HydrophobicContact CG-CG2 4.05Å; L341-D382 HydrophobicContact CD1-CB 3.92Å; L341-R385 HydrophobicContact CD1-CB 4.47Å; L341-R385 HydrophobicContact CD2-CB 4.38Å; L341-M386 HydrophobicContact CD2-CB 3.84Å
342	T	95.3	Very high	94.9	Very high	85 Å²	85	52.9 Å²	52.9	52%	0.521	31%	0.305	S	S	.	.			trans	-91.7	-16.1	-174.6	58	0	0	0	0	113.5	C340 P346 Q389	C340-T342 PolarHBondContact O-N 3.15Å; T342-P346 WeakPolarHBondContact O-CD 3.4Å; T342-Q389 PolarHBondContact OG1-OE1 2.78Å
343	S	90.8	Very high	94.9	Very high	74 Å²	74	52.5 Å²	52.5	52%	0.517	30%	0.303	S	S	.	.	S	Bend	trans	-127.3	142.3	-179.8	174.6	0	0	0	0	109.4	R385	S343-R385 PolarHBondContact O-NH1 3.03Å
344	P	86	Confident	94.9	Very high	96 Å²	96	52.9 Å²	52.9	62%	0.623	31%	0.305	S	S	*	.	S	Bend	cis	-83.8	-25.7	6.4	32.6	-35.4	0	0	0	114.6	R385	P344-R385 VanDerWaalsContact CD-NH1 3.34Å
345	D	90	Very high	94.9	Very high	71 Å²	71	52.6 Å²	52.6	38%	0.38	30%	0.303	S	S	.	.			trans	-133.7	106.2	-177.2	-172.2	-10.6	0	0	0	109.4	D347 D348	D345-D347 VanDerWaalsContact C-N 3.28Å; D345-D347 WeakPolarHBondContact OD1-CB 3.45Å; D345-D347 PolarHBondContact OD1-N 3.26Å; D345-D348 HydrophobicContact CB-CB 4.21Å; D345-D348 PolarHBondContact OD1-N 3.31Å
346	P	88.9	Confident	95	Very high	72 Å²	72	49.9 Å²	49.9	47%	0.468	29%	0.286	S	S	.	.	S	Bend	trans	-74.1	-19.9	178.4	30.7	-33.6	0	0	0	112.7	T342	T342-P346 WeakPolarHBondContact O-CD 3.4Å
347	D	90.7	Very high	95.1	Very high	146 Å²	146	43.4 Å²	43.4	78%	0.781	26%	0.256	S	S	*	.	S	Bend	trans	-83.7	-23.7	-177.4	-65.5	-34.9	0	0	0	111.5	D345 P349	D345-D347 VanDerWaalsContact C-N 3.28Å; D345-D347 WeakPolarHBondContact OD1-CB 3.45Å; D345-D347 PolarHBondContact OD1-N 3.26Å; D347-P349 VanDerWaalsContact O-CD 3.26Å; D347-P349 WeakPolarHBondContact O-CD 3.12Å
348	D	93.9	Very high	95.1	Very high	54 Å²	54	44.4 Å²	44.4	29%	0.289	26%	0.258	S	S	.	.	S	Bend	trans	-74.5	115.1	170.1	176.9	40.9	0	0	0	111.2	D345 L350 S351 S352	D345-D348 HydrophobicContact CB-CB 4.21Å; D345-D348 PolarHBondContact OD1-N 3.31Å; D348-L350 PolarHBondContact O-N 3.26Å; D348-S351 PolarHBondContact O-N 2.87Å; D348-S351 WeakPolarHBondContact OD2-CA 3.43Å; D348-S351 WeakPolarHBondContact OD2-CB 3.35Å; D348-S351 PolarHBondContact OD2-N 3.38Å; D348-S351 PolarHBondContact OD2-OG 2.82Å; D348-S352 WeakPolarHBondContact O-CB 3.29Å; D348-S352 PolarHBondContact O-N 2.8Å; D348-S352 PolarHBondContact O-OG 2.85Å
349	P	92.9	Very high	95.2	Very high	68 Å²	68	40.9 Å²	40.9	44%	0.442	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-30.4	-177.8	-24.1	35.6	0	0	0	113.4	I319 D347 S352 Y353	I319-P349 HydrophobicContact CD1-CB 3.98Å; I319-P349 HydrophobicContact CG1-CB 3.98Å; I319-P349 HydrophobicContact CG2-CB 4.07Å; D347-P349 VanDerWaalsContact O-CD 3.26Å; D347-P349 WeakPolarHBondContact O-CD 3.12Å; P349-S352 WeakPolarHBondContact CA-OG 3.26Å; P349-S352 PolarHBondContact O-OG 2.88Å; P349-Y353 WeakPolarHBondContact O-CB 3.33Å; P349-Y353 PolarHBondContact O-N 2.8Å
350	L	94.6	Very high	95.2	Very high	51 Å²	51	43.2 Å²	43.2	27%	0.267	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-43.7	-179.5	-174.8	65.2	0	0	0	111.5	I319 L322 K325 D348 S352 Y353	I319-L350 HydrophobicContact CG2-CB 4.04Å; I319-L350 HydrophobicContact CG2-CD1 4.17Å; L322-L350 HydrophobicContact CD1-CD1 4.44Å; K325-L350 HydrophobicContact CD-CD1 3.96Å; K325-L350 WeakPolarHBondContact CE-O 3.16Å; K325-L350 HydrophobicContact CG-CD1 4.33Å; K325-L350 PolarHBondContact NZ-O 3.41Å; D348-L350 PolarHBondContact O-N 3.26Å; L350-S352 VanDerWaalsContact C-N 3.33Å; L350-Y353 PolarHBondContact O-N 2.81Å
351	S	94.3	Very high	95.1	Very high	35 Å²	35	40.9 Å²	40.9	25%	0.245	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-33.3	178.7	-65	0	0	0	0	113	D348 Y353 R385	D348-S351 PolarHBondContact O-N 2.87Å; D348-S351 WeakPolarHBondContact OD2-CA 3.43Å; D348-S351 WeakPolarHBondContact OD2-CB 3.35Å; D348-S351 PolarHBondContact OD2-N 3.38Å; D348-S351 PolarHBondContact OD2-OG 2.82Å; S351-Y353 VanDerWaalsContact C-N 3.31Å; S351-R385 PolarHBondContact O-NH1 3.35Å; S351-R385 VanDerWaalsContact O-NH1 3.16Å
352	S	95.9	Very high	95.1	Very high	8 Å²	8	42.7 Å²	42.7	6%	0.056	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-8.7	175.4	62.9	0	0	0	0	114.2	L341 D348 P349 L350	L341-S352 PolarHBondContact N-O 2.86Å; L341-S352 VanDerWaalsContact O-CA 3.25Å; L341-S352 WeakPolarHBondContact O-CA 3.36Å; L341-S352 VanDerWaalsContact O-CB 3.25Å; L341-S352 WeakPolarHBondContact O-CB 3.07Å; D348-S352 WeakPolarHBondContact O-CB 3.29Å; D348-S352 PolarHBondContact O-N 2.8Å; D348-S352 PolarHBondContact O-OG 2.85Å; P349-S352 WeakPolarHBondContact CA-OG 3.26Å; P349-S352 PolarHBondContact O-OG 2.88Å; L350-S352 VanDerWaalsContact C-N 3.33Å
353	Y	97.9	Very high	95.1	Very high	1 Å²	1	42.2 Å²	42.2	0%	0.004	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	133.6	-178.8	-177.5	-89.6	0	0	0	113.3	Y317 I319 L322 K325 N326 P333 P349 L350 S351 N355	Y317-Y353 HydrophobicContact CD1-CE2 4.09Å; Y317-Y353 HydrophobicContact CE1-CD2 4.15Å; Y317-Y353 AromaticContact CE1-CE2 3.71Å; Y317-Y353 HydrophobicContact CE1-CE2 3.71Å; I319-Y353 HydrophobicContact CD1-CD2 4.41Å; L322-Y353 HydrophobicContact CD1-CD1 3.36Å; L322-Y353 HydrophobicContact CD1-CD2 3.55Å; L322-Y353 HydrophobicContact CD1-CE1 3.47Å; L322-Y353 VanDerWaalsContact CD1-CE1 3.47Å; L322-Y353 HydrophobicContact CD1-CE2 3.66Å; L322-Y353 HydrophobicContact CD1-CG 3.38Å; L322-Y353 HydrophobicContact CD2-CE2 4.31Å; L322-Y353 HydrophobicContact CG-CE1 4.26Å; L322-Y353 HydrophobicContact CG-CE2 4.43Å; K325-Y353 HydrophobicContact CB-CD1 3.81Å; K325-Y353 HydrophobicContact CB-CE1 3.85Å; K325-Y353 HydrophobicContact CD-CD1 3.82Å; K325-Y353 HydrophobicContact CG-CD1 4.44Å; K325-Y353 PolarHBondContact NZ-O 3.39Å; N326-Y353 VanDerWaalsContact CG-OH 3.32Å; N326-Y353 PolarHBondContact ND2-OH 2.65Å; N326-Y353 WeakPolarHBondContact OD1-CE1 3.4Å; N326-Y353 PolarHBondContact OD1-OH 2.86Å; P333-Y353 WeakPolarHBondContact CD-OH 3.2Å; P333-Y353 HydrophobicContact CG-CE2 3.86Å; P349-Y353 WeakPolarHBondContact O-CB 3.33Å; P349-Y353 PolarHBondContact O-N 2.8Å; L350-Y353 PolarHBondContact O-N 2.81Å; S351-Y353 VanDerWaalsContact C-N 3.31Å; Y353-N355 HydrophobicContact CE1-CB 4.24Å
354	I	98.6	Very high	95.3	Very high	9 Å²	9	39.9 Å²	39.9	5%	0.046	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	145.2	159.8	-173.6	162.7	0	0	0	108.9	V339 L341 A356 D382 M386	V339-I354 HydrophobicContact CB-CG2 4.09Å; V339-I354 HydrophobicContact CG1-CG2 4.32Å; L341-I354 HydrophobicContact CD1-CB 4.19Å; L341-I354 HydrophobicContact CD1-CG2 4.49Å; L341-I354 HydrophobicContact CD2-CG2 4.13Å; L341-I354 HydrophobicContact CG-CB 4.28Å; L341-I354 HydrophobicContact CG-CG2 4.05Å; I354-A356 HydrophobicContact CG1-CB 4.45Å; I354-A356 HydrophobicContact CG2-CB 4.14Å; I354-A356 PolarHBondContact O-N 2.82Å; I354-D382 HydrophobicContact CD1-CB 4.19Å; I354-M386 HydrophobicContact CD1-CB 3.97Å; I354-M386 HydrophobicContact CD1-CE 3.93Å; I354-M386 HydrophobicContact CD1-SD 3.84Å; I354-M386 HydrophobicContact CG2-SD 4.13Å
355	N	98.6	Very high	95.8	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.011	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	74.6	177.2	-167.3	-34	0	0	0	111.1	N326 I331 Y353 T372 Q373 R535	N326-N355 WeakPolarHBondContact OD1-CB 3.41Å; N326-N355 PolarHBondContact OD1-ND2 2.86Å; I331-N355 PolarHBondContact O-ND2 3.35Å; Y353-N355 HydrophobicContact CE1-CB 4.24Å; N355-T372 WeakPolarHBondContact O-CA 3.44Å; N355-T372 PolarHBondContact O-OG1 3.09Å; N355-T372 VanDerWaalsContact O-OG1 3.08Å; N355-Q373 HydrophobicContact CB-CG 4.16Å; N355-Q373 PolarHBondContact O-N 3.36Å; N355-R535 PolarHBondContact OD1-NH1 3.1Å; N355-R535 PolarHBondContact OD1-NH2 3.05Å
356	A	98.9	Very high	96.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	151.4	-178.7	0	0	0	0	0	111.6	R338 V339 I354 I370 A371 M386	R338-A356 WeakPolarHBondContact CA-O 3.45Å; V339-A356 HydrophobicContact CB-CB 4.13Å; V339-A356 HydrophobicContact CG2-CB 3.92Å; V339-A356 PolarHBondContact N-O 3Å; I354-A356 HydrophobicContact CG1-CB 4.45Å; I354-A356 HydrophobicContact CG2-CB 4.14Å; I354-A356 PolarHBondContact O-N 2.82Å; A356-I370 HydrophobicContact CB-CG2 3.89Å; A356-A371 CarbonylContact C-O 3.57Å; A356-A371 VanDerWaalsContact CA-O 3.28Å; A356-A371 WeakPolarHBondContact CA-O 3.47Å; A356-M386 HydrophobicContact CB-CE 4.31Å; A356-M386 HydrophobicContact CB-SD 3.63Å
357	N	98.9	Very high	96.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	143.2	174.1	-66.8	92.8	0	0	0	110.7	P333 N334 S337 R338 I359 I370 A371 R535	P333-N357 WeakPolarHBondContact CA-OD1 3.38Å; P333-N357 WeakPolarHBondContact CB-OD1 3.45Å; N334-N357 PolarHBondContact N-ND2 2.93Å; N334-N357 VanDerWaalsContact N-ND2 3.14Å; N334-N357 PolarHBondContact O-ND2 3.04Å; S337-N357 CarbonylContact O-C 3.53Å; S337-N357 VanDerWaalsContact O-CA 3.28Å; S337-N357 WeakPolarHBondContact O-CA 3.45Å; S337-N357 PolarHBondContact OG-ND2 3.47Å; R338-N357 PolarHBondContact N-ND2 3.37Å; N357-I359 HydrophobicContact CB-CD1 4.2Å; N357-I370 CarbonylContact O-C 3.56Å; N357-I370 VanDerWaalsContact O-CA 3.3Å; N357-I370 WeakPolarHBondContact O-CA 3.49Å; N357-A371 PolarHBondContact N-O 2.77Å; N357-A371 PolarHBondContact O-N 2.88Å; N357-R535 HydrophobicContact CB-CB 3.99Å; N357-R535 HydrophobicContact CB-CG 4.34Å; N357-R535 WeakPolarHBondContact OD1-CG 3.26Å; N357-R535 PolarHBondContact OD1-NH1 3.5Å
358	Y	98.9	Very high	96.9	Very high	35 Å²	35	39 Å²	39	14%	0.137	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	137.7	160.6	-63.5	-71.7	0	0	0	109.8	S337 V339 K367 I370 E390 P491	S337-Y358 PolarHBondContact O-N 3.4Å; V339-Y358 HydrophobicContact CB-CE2 4.41Å; V339-Y358 HydrophobicContact CG2-CD1 4.33Å; V339-Y358 HydrophobicContact CG2-CD2 4.1Å; V339-Y358 HydrophobicContact CG2-CE1 4.21Å; V339-Y358 HydrophobicContact CG2-CE2 3.99Å; V339-Y358 HydrophobicContact CG2-CG 4.29Å; Y358-K367 HydrophobicContact CD1-CB 3.94Å; Y358-K367 HydrophobicContact CD1-CD 3.81Å; Y358-K367 HydrophobicContact CD1-CG 3.67Å; Y358-K367 HydrophobicContact CE1-CB 4.49Å; Y358-K367 HydrophobicContact CE1-CD 3.79Å; Y358-K367 HydrophobicContact CE1-CG 4.19Å; Y358-K367 HydrophobicContact CG-CD 4.23Å; Y358-K367 HydrophobicContact CG-CG 3.92Å; Y358-I370 HydrophobicContact CD1-CD1 4.21Å; Y358-I370 HydrophobicContact CD1-CG1 3.79Å; Y358-I370 HydrophobicContact CE1-CD1 3.95Å; Y358-I370 HydrophobicContact CE1-CG1 4.07Å; Y358-E390 WeakPolarHBondContact CE1-OE2 3.43Å; Y358-E390 PolarHBondContact OH-OE1 3.36Å; Y358-E390 PolarHBondContact OH-OE2 2.82Å; Y358-P491 HydrophobicContact CE1-CG 4.39Å
359	I	98.9	Very high	97.2	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	134.4	-179.5	-51.6	-62.8	0	0	0	108.7	N357 V368 Y369 A371 I507 L531 D534 R535	N357-I359 HydrophobicContact CB-CD1 4.2Å; I359-V368 PolarHBondContact O-N 3Å; I359-Y369 PolarHBondContact N-O 2.83Å; I359-Y369 PolarHBondContact O-N 3.17Å; I359-A371 HydrophobicContact CD1-CB 3.87Å; I359-A371 HydrophobicContact CG1-CB 3.62Å; I359-I507 HydrophobicContact CG1-CD1 4.37Å; I359-I507 HydrophobicContact CG2-CD1 4.41Å; I359-I507 HydrophobicContact CG2-CG2 4.12Å; I359-L531 HydrophobicContact CG2-CD2 3.38Å; I359-D534 HydrophobicContact CD1-CB 3.61Å; I359-D534 HydrophobicContact CG2-CB 4.45Å; I359-R535 HydrophobicContact CD1-CB 3.73Å
360	R	98.6	Very high	97.4	Very high	49 Å²	49	33.5 Å²	33.5	19%	0.185	19%	0.185	C	C	.	.			trans	-74.9	145.1	176.6	-67	171.4	-68.3	171.4	-7.2	111.2	E365 E366 Q530 Q533 D534	R360-E365 CarbonylContact C-O 3.47Å; R360-E365 WeakPolarHBondContact CA-O 3.48Å; R360-E366 VanDerWaalsContact CD-OE1 3.25Å; R360-E366 WeakPolarHBondContact CD-OE1 3.46Å; R360-Q530 HydrophobicContact CB-CG 4.5Å; R360-Q530 PolarHBondContact O-NE2 2.94Å; R360-Q533 VanDerWaalsContact NH2-OE1 3.11Å; R360-D534 WeakPolarHBondContact CB-OD2 3.32Å; R360-D534 IonicContact CZ-OD1 3.62Å; R360-D534 PolarHBondContact N-OD2 2.67Å; R360-D534 IonicContact NE-OD1 2.71Å; R360-D534 PolarHBondContact NE-OD1 3.41Å; R360-D534 IonicContact NE-OD2 3.43Å; R360-D534 PolarHBondContact NE-OD2 2.95Å; R360-D534 IonicContact NH2-OD1 2.61Å; R360-D534 PolarHBondContact NH2-OD1 2.95Å; R360-D534 IonicContact NH2-OD2 2.69Å
361	G	97.6	Very high	97.7	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.172	C	C	.	.			trans	-89.4	-158.9	176.5	0	0	0	0	0	114	G364 E365 Q530	G361-G364 PolarHBondContact O-N 3.43Å; G361-E365 PolarHBondContact N-O 3.28Å; G361-Q530 PolarHBondContact O-NE2 3.42Å
362	Y	97.1	Very high	97.9	Very high	40 Å²	40	29.5 Å²	29.5	16%	0.157	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-61.1	144.2	173.1	172.2	-102.4	0	0	0	110.6	G364 E365 Q514 Q515 Q518 E519	Y362-G364 PolarHBondContact O-N 2.77Å; Y362-G364 VanDerWaalsContact O-N 3.08Å; Y362-E365 PolarHBondContact O-N 2.76Å; Y362-Q514 HydrophobicContact CD1-CB 4.35Å; Y362-Q514 HydrophobicContact CD2-CB 4.24Å; Y362-Q514 HydrophobicContact CG-CB 3.9Å; Y362-Q515 HydrophobicContact CD2-CB 3.92Å; Y362-Q515 VanDerWaalsContact CE2-CA 3.47Å; Y362-Q515 HydrophobicContact CE2-CB 3.65Å; Y362-Q515 HydrophobicContact CE2-CG 3.87Å; Y362-Q518 HydrophobicContact CE1-CG 4.49Å; Y362-Q518 VanDerWaalsContact CE1-NE2 3.27Å; Y362-E519 WeakPolarHBondContact CE2-OE1 3.45Å; Y362-E519 PolarHBondContact OH-OE1 3.09Å
363	G	95.5	Very high	98	Very high	75 Å²	75	29.5 Å²	29.5	77%	0.773	16%	0.16	S	C	*	.	G	3₁₀ helix	trans	65.3	7.7	-175.6	0	0	0	0	0	115.2
364	G	95.3	Very high	98	Very high	24 Å²	24	29.4 Å²	29.4	25%	0.247	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	77	21.1	-175.3	0	0	0	0	0	113.7	G361 Y362 E366	G361-G364 PolarHBondContact O-N 3.43Å; Y362-G364 PolarHBondContact O-N 2.77Å; Y362-G364 VanDerWaalsContact O-N 3.08Å; G364-E366 PolarHBondContact O-N 2.93Å
365	E	96.6	Very high	98	Very high	118 Å²	118	29.1 Å²	29.1	55%	0.551	16%	0.158	S	C	*	.			trans	-57.1	127.9	175	-175	178.6	-170.3	0	0	110.8	R360 G361 Y362 V368	R360-E365 CarbonylContact C-O 3.47Å; R360-E365 WeakPolarHBondContact CA-O 3.48Å; G361-E365 PolarHBondContact N-O 3.28Å; Y362-E365 PolarHBondContact O-N 2.76Å; E365-V368 HydrophobicContact CB-CG2 3.68Å; E365-V368 HydrophobicContact CG-CG2 3.53Å
366	E	97.2	Very high	97.9	Very high	131 Å²	131	30.2 Å²	30.2	61%	0.612	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.3	141.6	-174	-70.7	-64.4	146.5	0	0	111.9	R360 G364 V368	R360-E366 VanDerWaalsContact CD-OE1 3.25Å; R360-E366 WeakPolarHBondContact CD-OE1 3.46Å; G364-E366 PolarHBondContact O-N 2.93Å; E366-V368 VanDerWaalsContact C-N 3.28Å; E366-V368 PolarHBondContact O-N 3Å
367	K	97.2	Very high	97.8	Very high	95 Å²	95	35.6 Å²	35.6	41%	0.413	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	33.5	172.1	-52.2	-172.7	172.7	-166.9	0	115.4	Y358 Y369 P491	Y358-K367 HydrophobicContact CD1-CB 3.94Å; Y358-K367 HydrophobicContact CD1-CD 3.81Å; Y358-K367 HydrophobicContact CD1-CG 3.67Å; Y358-K367 HydrophobicContact CE1-CB 4.49Å; Y358-K367 HydrophobicContact CE1-CD 3.79Å; Y358-K367 HydrophobicContact CE1-CG 4.19Å; Y358-K367 HydrophobicContact CG-CD 4.23Å; Y358-K367 HydrophobicContact CG-CG 3.92Å; K367-Y369 VanDerWaalsContact C-N 3.3Å; K367-Y369 PolarHBondContact O-N 3.23Å; K367-P491 HydrophobicContact CB-CG 4.18Å; K367-P491 WeakPolarHBondContact O-CA 3.35Å; K367-P491 VanDerWaalsContact O-CB 3.23Å; K367-P491 WeakPolarHBondContact O-CB 3.45Å; K367-P491 VanDerWaalsContact O-CG 3.25Å; K367-P491 WeakPolarHBondContact O-CG 3.47Å
368	V	98.1	Very high	97.7	Very high	24 Å²	24	38.9 Å²	38.9	15%	0.145	22%	0.22	C	C	.	.	S	Bend	trans	-67.1	-35.8	173.7	-179.5	0	0	0	0	111.2	I359 E365 E366 P491 I492	I359-V368 PolarHBondContact O-N 3Å; E365-V368 HydrophobicContact CB-CG2 3.68Å; E365-V368 HydrophobicContact CG-CG2 3.53Å; E366-V368 VanDerWaalsContact C-N 3.28Å; E366-V368 PolarHBondContact O-N 3Å; V368-P491 WeakPolarHBondContact O-CA 3.44Å; V368-I492 PolarHBondContact O-N 3.4Å
369	Y	98.8	Very high	97.6	Very high	5 Å²	5	37.6 Å²	37.6	2%	0.02	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	162	177.8	-42.7	-92.2	0	0	0	112.3	I359 K367 I492 V494 I507 S510 I511	I359-Y369 PolarHBondContact N-O 2.83Å; I359-Y369 PolarHBondContact O-N 3.17Å; K367-Y369 VanDerWaalsContact C-N 3.3Å; K367-Y369 PolarHBondContact O-N 3.23Å; Y369-I492 CarbonylContact C-O 3.58Å; Y369-I492 WeakPolarHBondContact CA-O 3.32Å; Y369-I492 WeakPolarHBondContact CB-O 3.3Å; Y369-I492 HydrophobicContact CD1-CB 3.93Å; Y369-I492 HydrophobicContact CD1-CD1 4.36Å; Y369-I492 HydrophobicContact CD1-CG2 4.38Å; Y369-I492 HydrophobicContact CE1-CB 4.5Å; Y369-I492 HydrophobicContact CE1-CD1 4.1Å; Y369-V494 HydrophobicContact CD1-CG2 4.11Å; Y369-I507 HydrophobicContact CD1-CG1 4.3Å; Y369-I507 HydrophobicContact CD2-CG2 3.71Å; Y369-I507 HydrophobicContact CE2-CG2 3.79Å; Y369-I507 HydrophobicContact CG-CD1 4.15Å; Y369-I507 HydrophobicContact CG-CG1 4.22Å; Y369-I507 HydrophobicContact CG-CG2 4.22Å; Y369-S510 PolarHBondContact OH-OG 3.31Å; Y369-S510 VanDerWaalsContact OH-OG 3.1Å; Y369-I511 HydrophobicContact CE2-CG1 4.39Å
370	I	98.9	Very high	97.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	119.8	161.8	-70	168	0	0	0	107.8	V339 A356 N357 Y358 M386 E390 P491 I492 I493 V494	V339-I370 HydrophobicContact CG2-CD1 4.21Å; V339-I370 HydrophobicContact CG2-CG1 4.17Å; V339-I370 HydrophobicContact CG2-CG2 3.99Å; A356-I370 HydrophobicContact CB-CG2 3.89Å; N357-I370 CarbonylContact O-C 3.56Å; N357-I370 VanDerWaalsContact O-CA 3.3Å; N357-I370 WeakPolarHBondContact O-CA 3.49Å; Y358-I370 HydrophobicContact CD1-CD1 4.21Å; Y358-I370 HydrophobicContact CD1-CG1 3.79Å; Y358-I370 HydrophobicContact CE1-CD1 3.95Å; Y358-I370 HydrophobicContact CE1-CG1 4.07Å; I370-M386 HydrophobicContact CG2-CE 4.12Å; I370-M386 HydrophobicContact CG2-SD 3.86Å; I370-E390 HydrophobicContact CD1-CB 4.01Å; I370-E390 HydrophobicContact CD1-CG 3.68Å; I370-P491 HydrophobicContact CD1-CB 3.79Å; I370-P491 HydrophobicContact CD1-CG 4.23Å; I370-P491 HydrophobicContact CG1-CB 3.77Å; I370-I492 PolarHBondContact N-O 2.85Å; I370-I493 HydrophobicContact CB-CG1 3.94Å; I370-I493 HydrophobicContact CD1-CG1 4.29Å; I370-I493 HydrophobicContact CG2-CG1 4.22Å; I370-I493 WeakPolarHBondContact O-CA 3.39Å; I370-V494 PolarHBondContact O-N 3.44Å
371	A	98.9	Very high	97.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	123.1	171.2	0	0	0	0	0	109.7	A356 N357 I359 V494 T503 I507 M538	A356-A371 CarbonylContact C-O 3.57Å; A356-A371 VanDerWaalsContact CA-O 3.28Å; A356-A371 WeakPolarHBondContact CA-O 3.47Å; N357-A371 PolarHBondContact N-O 2.77Å; N357-A371 PolarHBondContact O-N 2.88Å; I359-A371 HydrophobicContact CD1-CB 3.87Å; I359-A371 HydrophobicContact CG1-CB 3.62Å; A371-V494 WeakPolarHBondContact CA-O 3.37Å; A371-T503 HydrophobicContact CB-CG2 3.7Å; A371-I507 HydrophobicContact CB-CD1 4.39Å; A371-M538 HydrophobicContact CB-CE 4.28Å; A371-M538 HydrophobicContact CB-SD 4.34Å
372	T	98.9	Very high	97.5	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.018	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	157.4	-177.6	-176.5	0	0	0	0	111.9	N355 F383 M386 I493 V494 H495 G499	N355-T372 WeakPolarHBondContact O-CA 3.44Å; N355-T372 PolarHBondContact O-OG1 3.09Å; N355-T372 VanDerWaalsContact O-OG1 3.08Å; T372-F383 HydrophobicContact CG2-CD2 4.42Å; T372-F383 HydrophobicContact CG2-CE2 3.95Å; T372-M386 HydrophobicContact CG2-CE 4.04Å; T372-I493 HydrophobicContact CG2-CG2 3.82Å; T372-V494 PolarHBondContact N-O 3.18Å; T372-H495 HydrophobicContact CG2-CB 3.63Å; T372-H495 WeakPolarHBondContact O-CA 3.25Å; T372-H495 WeakPolarHBondContact O-CB 3.44Å; T372-G499 WeakPolarHBondContact O-CA 3.49Å
373	Q	98.4	Very high	97.6	Very high	7 Å²	7	35.6 Å²	35.6	3%	0.033	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-65.5	157.6	168.3	76.2	178.9	21.8	0	0	111	K325 N355 S497	K325-Q373 PolarHBondContact O-NE2 2.97Å; N355-Q373 HydrophobicContact CB-CG 4.16Å; N355-Q373 PolarHBondContact O-N 3.36Å; Q373-S497 WeakPolarHBondContact CA-O 3.44Å; Q373-S497 WeakPolarHBondContact CB-O 3.22Å
374	G	98.3	Very high	97.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-64.8	126.6	168.9	0	0	0	0	0	109.7	R327 I376 C496 S497	R327-G374 PolarHBondContact NE-O 3.14Å; R327-G374 PolarHBondContact NH2-O 3.21Å; G374-I376 PolarHBondContact O-N 2.97Å; G374-C496 WeakPolarHBondContact CA-O 3.45Å; G374-C496 PolarHBondContact N-O 2.71Å; G374-S497 PolarHBondContact N-O 3.13Å
375	P	98.3	Very high	97.8	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.013	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-48.8	138.1	-178.2	-31.3	37.6	0	0	0	112	R327 V380 F383 T409 Y411	R327-P375 PolarHBondContact NH2-O 2.71Å; P375-V380 HydrophobicContact CB-CG2 4.29Å; P375-F383 HydrophobicContact CB-CB 4.5Å; P375-F383 HydrophobicContact CG-CB 3.95Å; P375-F383 HydrophobicContact CG-CD1 4.16Å; P375-F383 HydrophobicContact CG-CD2 3.55Å; P375-F383 HydrophobicContact CG-CE2 4.02Å; P375-F383 HydrophobicContact CG-CG 3.62Å; P375-T409 WeakPolarHBondContact O-CB 3.3Å; P375-T409 PolarHBondContact O-N 2.97Å; P375-T409 PolarHBondContact O-OG1 2.8Å; P375-Y411 HydrophobicContact CB-CD1 4.14Å; P375-Y411 HydrophobicContact CB-CG 4.38Å; P375-Y411 HydrophobicContact CG-CD1 3.65Å; P375-Y411 HydrophobicContact CG-CE1 4.1Å; P375-Y411 HydrophobicContact CG-CG 3.98Å
376	I	97.1	Very high	97.9	Very high	25 Å²	25	26.9 Å²	26.9	13%	0.128	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-100.1	163.3	165.1	50.6	176.7	0	0	0	107.9	R324 R327 G374 S378 T379 V380 T409	R324-I376 VanDerWaalsContact O-CD1 3.25Å; R324-I376 WeakPolarHBondContact O-CD1 3.45Å; R327-I376 HydrophobicContact CB-CG2 4.05Å; R327-I376 HydrophobicContact CG-CG2 4.18Å; G374-I376 PolarHBondContact O-N 2.97Å; I376-S378 VanDerWaalsContact CD1-OG 3.23Å; I376-S378 WeakPolarHBondContact CD1-OG 3.19Å; I376-S378 WeakPolarHBondContact CG1-OG 3.34Å; I376-S378 PolarHBondContact O-N 2.95Å; I376-T379 HydrophobicContact CD1-CG2 3.97Å; I376-T379 HydrophobicContact CG1-CG2 3.64Å; I376-T379 WeakPolarHBondContact CG1-OG1 3.36Å; I376-T379 PolarHBondContact N-OG1 3.27Å; I376-T379 VanDerWaalsContact N-OG1 3.13Å; I376-T379 PolarHBondContact O-N 3.46Å; I376-T379 PolarHBondContact O-OG1 3.49Å; I376-V380 PolarHBondContact O-N 2.92Å; I376-T409 WeakPolarHBondContact CA-OG1 3.34Å
377	V	96.4	Very high	98	Very high	114 Å²	114	20.7 Å²	20.7	69%	0.691	12%	0.117	S	C	*	.	G	3₁₀ helix	trans	-45.3	-43.6	179.5	-179.9	0	0	0	0	112.9	T379 T409	V377-T379 VanDerWaalsContact C-N 3.32Å; V377-T379 PolarHBondContact O-N 2.86Å; V377-T409 HydrophobicContact CG2-CG2 4.03Å; V377-T409 PolarHBondContact N-OG1 3.42Å
378	S	96.6	Very high	98	Very high	69 Å²	69	18.3 Å²	18.3	48%	0.483	11%	0.106	S	C	.	.	G	3₁₀ helix	trans	-74.6	-12.2	-179	48.7	0	0	0	0	115.3	R324 I376	R324-S378 PolarHBondContact O-OG 2.73Å; I376-S378 VanDerWaalsContact CD1-OG 3.23Å; I376-S378 WeakPolarHBondContact CD1-OG 3.19Å; I376-S378 WeakPolarHBondContact CG1-OG 3.34Å; I376-S378 PolarHBondContact O-N 2.95Å
379	T	97.8	Very high	98	Very high	7 Å²	7	19.3 Å²	19.3	4%	0.043	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-120.5	10	-174.8	68.9	0	0	0	0	113.3	K325 I376 V377 D382 F383	K325-T379 HydrophobicContact CB-CG2 4Å; K325-T379 HydrophobicContact CG-CG2 4.12Å; I376-T379 HydrophobicContact CD1-CG2 3.97Å; I376-T379 HydrophobicContact CG1-CG2 3.64Å; I376-T379 WeakPolarHBondContact CG1-OG1 3.36Å; I376-T379 PolarHBondContact N-OG1 3.27Å; I376-T379 VanDerWaalsContact N-OG1 3.13Å; I376-T379 PolarHBondContact O-N 3.46Å; I376-T379 PolarHBondContact O-OG1 3.49Å; V377-T379 VanDerWaalsContact C-N 3.32Å; V377-T379 PolarHBondContact O-N 2.86Å; T379-D382 PolarHBondContact O-N 2.96Å; T379-F383 WeakPolarHBondContact O-CB 3.5Å; T379-F383 PolarHBondContact O-N 3.25Å
380	V	98.1	Very high	97.9	Very high	8 Å²	8	20.3 Å²	20.3	5%	0.048	11%	0.114	C	C	.	.	H	α-helix	trans	-62.4	-45	177.5	173.2	0	0	0	0	110.9	P375 I376 F383 W384 T409 Y419	P375-V380 HydrophobicContact CB-CG2 4.29Å; I376-V380 PolarHBondContact O-N 2.92Å; V380-F383 WeakPolarHBondContact O-CB 3.22Å; V380-F383 PolarHBondContact O-N 2.94Å; V380-W384 VanDerWaalsContact O-CD1 3.29Å; V380-W384 PolarHBondContact O-N 3Å; V380-W384 VanDerWaalsContact O-N 3.13Å; V380-T409 HydrophobicContact CG2-CG2 4.41Å; V380-Y419 HydrophobicContact CG1-CD2 4.32Å; V380-Y419 HydrophobicContact CG1-CE1 3.94Å; V380-Y419 HydrophobicContact CG1-CE2 3.65Å; V380-Y419 VanDerWaalsContact CG1-CZ 3.45Å
381	A	96.8	Very high	97.9	Very high	27 Å²	27	25.3 Å²	25.3	22%	0.223	14%	0.137	C	C	.	.	H	α-helix	trans	-62.3	-46.2	175.9	0	0	0	0	0	111.6	F383 W384 R385 Y419	A381-F383 VanDerWaalsContact C-N 3.26Å; A381-F383 PolarHBondContact O-N 3.05Å; A381-W384 PolarHBondContact O-N 3.35Å; A381-R385 WeakPolarHBondContact O-CG 3.13Å; A381-R385 PolarHBondContact O-N 3.06Å; A381-Y419 HydrophobicContact CB-CD1 4.26Å
382	D	97.7	Very high	97.8	Very high	11 Å²	11	25.4 Å²	25.4	6%	0.059	14%	0.138	C	C	.	.	H	α-helix	trans	-55	-41.4	174.9	-60.2	0.5	0	0	0	112.2	K325 L341 I354 T379 R385 M386	K325-D382 WeakPolarHBondContact CD-OD2 3.36Å; K325-D382 WeakPolarHBondContact CE-OD2 3.49Å; K325-D382 IonicContact NZ-OD1 3.79Å; K325-D382 IonicContact NZ-OD2 3.91Å; K325-D382 PolarHBondContact NZ-OD2 3.34Å; L341-D382 HydrophobicContact CD1-CB 3.92Å; I354-D382 HydrophobicContact CD1-CB 4.19Å; T379-D382 PolarHBondContact O-N 2.96Å; D382-R385 PolarHBondContact O-N 2.9Å; D382-R385 IonicContact OD1-CZ 3.73Å; D382-R385 IonicContact OD1-NE 3.35Å; D382-R385 IonicContact OD1-NH2 2.73Å; D382-R385 PolarHBondContact OD1-NH2 3.23Å; D382-M386 PolarHBondContact O-N 3.34Å
383	F	98.6	Very high	97.8	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.009	14%	0.14	C	C	.	.	H	α-helix	trans	-64.2	-46.5	178.4	-179.6	-91.9	0	0	0	111.7	T372 P375 T379 V380 A381 R385 M386 V387 I395 Y411 I493	T372-F383 HydrophobicContact CG2-CD2 4.42Å; T372-F383 HydrophobicContact CG2-CE2 3.95Å; P375-F383 HydrophobicContact CB-CB 4.5Å; P375-F383 HydrophobicContact CG-CB 3.95Å; P375-F383 HydrophobicContact CG-CD1 4.16Å; P375-F383 HydrophobicContact CG-CD2 3.55Å; P375-F383 HydrophobicContact CG-CE2 4.02Å; P375-F383 HydrophobicContact CG-CG 3.62Å; T379-F383 WeakPolarHBondContact O-CB 3.5Å; T379-F383 PolarHBondContact O-N 3.25Å; V380-F383 WeakPolarHBondContact O-CB 3.22Å; V380-F383 PolarHBondContact O-N 2.94Å; A381-F383 VanDerWaalsContact C-N 3.26Å; A381-F383 PolarHBondContact O-N 3.05Å; F383-R385 VanDerWaalsContact C-N 3.35Å; F383-M386 HydrophobicContact CD2-CE 4.02Å; F383-M386 HydrophobicContact CE2-CE 4.21Å; F383-M386 WeakPolarHBondContact O-CB 3.42Å; F383-M386 PolarHBondContact O-N 2.76Å; F383-V387 HydrophobicContact CD1-CG2 4.05Å; F383-V387 HydrophobicContact CE1-CG2 3.74Å; F383-V387 HydrophobicContact CZ-CG2 4.19Å; F383-V387 VanDerWaalsContact O-CG2 3.31Å; F383-V387 WeakPolarHBondContact O-CG2 3.24Å; F383-V387 PolarHBondContact O-N 3.42Å; F383-I395 HydrophobicContact CE1-CD1 3.89Å; F383-I395 HydrophobicContact CZ-CD1 3.96Å; F383-I395 HydrophobicContact CZ-CG2 4.33Å; F383-Y411 AromaticContact CD1-CD2 3.94Å; F383-Y411 HydrophobicContact CD1-CD2 3.94Å; F383-Y411 HydrophobicContact CD1-CE2 4.1Å; F383-Y411 AromaticContact CE1-CD2 3.69Å; F383-Y411 HydrophobicContact CE1-CD2 3.69Å; F383-Y411 AromaticContact CE1-CE2 3.36Å; F383-Y411 HydrophobicContact CE1-CE2 3.36Å; F383-Y411 HydrophobicContact CE1-CG 4.48Å; F383-Y411 AromaticContact CE1-CZ 3.89Å; F383-Y411 AromaticContact CZ-CE2 3.91Å; F383-Y411 HydrophobicContact CZ-CE2 3.91Å; F383-Y411 AromaticContact CZ-CZ 3.96Å; F383-I493 HydrophobicContact CE2-CG2 3.98Å; F383-I493 HydrophobicContact CZ-CG2 4.11Å
384	W	98.2	Very high	97.8	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.008	14%	0.138	C	C	.	.	H	α-helix	trans	-68.3	-33.3	176.6	-72.7	115.4	0	0	0	112.9	V380 A381 M386 V387 W388 I395 Y411 W412 Y419 I424 I440 L442 L451	V380-W384 VanDerWaalsContact O-CD1 3.29Å; V380-W384 PolarHBondContact O-N 3Å; V380-W384 VanDerWaalsContact O-N 3.13Å; A381-W384 PolarHBondContact O-N 3.35Å; W384-M386 VanDerWaalsContact C-N 3.33Å; W384-M386 PolarHBondContact O-N 3.49Å; W384-V387 HydrophobicContact CE3-CB 4.07Å; W384-V387 HydrophobicContact CE3-CG1 4.09Å; W384-V387 HydrophobicContact CE3-CG2 4.12Å; W384-V387 HydrophobicContact CZ3-CG1 4.12Å; W384-V387 HydrophobicContact CZ3-CG2 4.4Å; W384-V387 PolarHBondContact O-N 2.85Å; W384-W388 WeakPolarHBondContact O-CB 3.28Å; W384-W388 PolarHBondContact O-N 2.89Å; W384-I395 HydrophobicContact CZ3-CD1 4.49Å; W384-Y411 AromaticContact CZ2-CD2 3.75Å; W384-Y411 HydrophobicContact CZ2-CD2 3.75Å; W384-Y411 HydrophobicContact CZ2-CE2 4.17Å; W384-Y411 PolarHBondContact NE1-O 2.83Å; W384-W412 HydrophobicContact CZ2-CB 4.45Å; W384-Y419 AromaticContact CD1-CD2 3.31Å; W384-Y419 AromaticContact CD1-CE2 3.7Å; W384-Y419 HydrophobicContact CG-CD2 4.11Å; W384-Y419 AromaticContact NE1-CD2 3.79Å; W384-Y419 AromaticContact NE1-CE2 3.78Å; W384-I424 HydrophobicContact CB-CD1 4.42Å; W384-I424 HydrophobicContact CD2-CD1 3.84Å; W384-I424 HydrophobicContact CD2-CG1 3.93Å; W384-I424 HydrophobicContact CE3-CD1 4.32Å; W384-I424 HydrophobicContact CE3-CG1 3.94Å; W384-I424 HydrophobicContact CG-CD1 3.87Å; W384-I424 HydrophobicContact CG-CG1 4.46Å; W384-I424 HydrophobicContact CH2-CG1 4.41Å; W384-I424 HydrophobicContact CH2-CG2 3.78Å; W384-I424 HydrophobicContact CZ2-CG1 4.39Å; W384-I424 HydrophobicContact CZ2-CG2 3.91Å; W384-I424 HydrophobicContact CZ3-CG1 4.19Å; W384-I424 HydrophobicContact CZ3-CG2 4.24Å; W384-I440 HydrophobicContact CH2-CD1 4.33Å; W384-L442 HydrophobicContact CE3-CD2 4.03Å; W384-L442 HydrophobicContact CZ3-CD2 3.68Å; W384-L451 HydrophobicContact CH2-CD2 4.09Å; W384-L451 HydrophobicContact CZ3-CD2 3.71Å
385	R	97.2	Very high	97.8	Very high	33 Å²	33	25.4 Å²	25.4	13%	0.125	14%	0.138	C	C	.	.	H	α-helix	trans	-59.3	-43.2	169.1	-74.9	-167.8	-73.8	139.5	-3.9	111.6	L341 S343 P344 S351 A381 D382 F383 W388 Q389 D420	L341-R385 HydrophobicContact CD1-CB 4.47Å; L341-R385 HydrophobicContact CD2-CB 4.38Å; S343-R385 PolarHBondContact O-NH1 3.03Å; P344-R385 VanDerWaalsContact CD-NH1 3.34Å; S351-R385 PolarHBondContact O-NH1 3.35Å; S351-R385 VanDerWaalsContact O-NH1 3.16Å; A381-R385 WeakPolarHBondContact O-CG 3.13Å; A381-R385 PolarHBondContact O-N 3.06Å; D382-R385 PolarHBondContact O-N 2.9Å; D382-R385 IonicContact OD1-CZ 3.73Å; D382-R385 IonicContact OD1-NE 3.35Å; D382-R385 IonicContact OD1-NH2 2.73Å; D382-R385 PolarHBondContact OD1-NH2 3.23Å; F383-R385 VanDerWaalsContact C-N 3.35Å; R385-W388 PolarHBondContact O-N 2.84Å; R385-Q389 VanDerWaalsContact O-CB 3.24Å; R385-Q389 WeakPolarHBondContact O-CB 3.4Å; R385-Q389 PolarHBondContact O-N 2.92Å; R385-D420 VanDerWaalsContact CD-OD2 3.26Å; R385-D420 WeakPolarHBondContact CD-OD2 3.11Å; R385-D420 HydrophobicContact CG-CB 4.2Å; R385-D420 IonicContact NE-OD2 3.82Å; R385-D420 PolarHBondContact NE-OD2 2.98Å
386	M	98.5	Very high	97.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-62.4	-49.1	174.6	-176.4	174.1	66.7	0	0	112	V339 L341 I354 A356 I370 T372 D382 F383 W384 W388 Q389 E390 I493	V339-M386 HydrophobicContact CB-SD 4.25Å; V339-M386 HydrophobicContact CG1-CG 4.01Å; V339-M386 HydrophobicContact CG1-SD 4.01Å; V339-M386 HydrophobicContact CG2-SD 4.31Å; L341-M386 HydrophobicContact CD2-CB 3.84Å; I354-M386 HydrophobicContact CD1-CB 3.97Å; I354-M386 HydrophobicContact CD1-CE 3.93Å; I354-M386 HydrophobicContact CD1-SD 3.84Å; I354-M386 HydrophobicContact CG2-SD 4.13Å; A356-M386 HydrophobicContact CB-CE 4.31Å; A356-M386 HydrophobicContact CB-SD 3.63Å; I370-M386 HydrophobicContact CG2-CE 4.12Å; I370-M386 HydrophobicContact CG2-SD 3.86Å; T372-M386 HydrophobicContact CG2-CE 4.04Å; D382-M386 PolarHBondContact O-N 3.34Å; F383-M386 HydrophobicContact CD2-CE 4.02Å; F383-M386 HydrophobicContact CE2-CE 4.21Å; F383-M386 WeakPolarHBondContact O-CB 3.42Å; F383-M386 PolarHBondContact O-N 2.76Å; W384-M386 VanDerWaalsContact C-N 3.33Å; W384-M386 PolarHBondContact O-N 3.49Å; M386-W388 VanDerWaalsContact C-N 3.28Å; M386-W388 PolarHBondContact O-N 3.38Å; M386-Q389 PolarHBondContact O-N 2.82Å; M386-E390 HydrophobicContact CG-CG 4.25Å; M386-E390 WeakPolarHBondContact O-CB 3.3Å; M386-E390 WeakPolarHBondContact O-CG 3.09Å; M386-E390 PolarHBondContact O-N 3.28Å; M386-I493 HydrophobicContact CE-CD1 3.75Å; M386-I493 HydrophobicContact CE-CG1 4.26Å; M386-I493 HydrophobicContact CG-CD1 4.49Å
387	V	98.6	Very high	97.9	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.006	13%	0.131	C	C	.	.	H	α-helix	trans	-56.2	-45.1	178.7	172.9	0	0	0	0	110.6	F383 W384 H391 T392 I395 L442 L451 I493	F383-V387 HydrophobicContact CD1-CG2 4.05Å; F383-V387 HydrophobicContact CE1-CG2 3.74Å; F383-V387 HydrophobicContact CZ-CG2 4.19Å; F383-V387 VanDerWaalsContact O-CG2 3.31Å; F383-V387 WeakPolarHBondContact O-CG2 3.24Å; F383-V387 PolarHBondContact O-N 3.42Å; W384-V387 HydrophobicContact CE3-CB 4.07Å; W384-V387 HydrophobicContact CE3-CG1 4.09Å; W384-V387 HydrophobicContact CE3-CG2 4.12Å; W384-V387 HydrophobicContact CZ3-CG1 4.12Å; W384-V387 HydrophobicContact CZ3-CG2 4.4Å; W384-V387 PolarHBondContact O-N 2.85Å; V387-H391 PolarHBondContact O-N 3.36Å; V387-T392 PolarHBondContact O-N 3.01Å; V387-T392 VanDerWaalsContact O-N 3.16Å; V387-I395 HydrophobicContact CG2-CD1 3.89Å; V387-L442 HydrophobicContact CG1-CD1 3.61Å; V387-L451 HydrophobicContact CG1-CD2 4.23Å; V387-I493 HydrophobicContact CB-CD1 4.39Å; V387-I493 HydrophobicContact CG2-CD1 3.58Å
388	W	98	Very high	97.8	Very high	45 Å²	45	18.7 Å²	18.7	17%	0.17	10%	0.099	C	C	.	.	H	α-helix	trans	-67.8	-48	177.6	-174.5	-97.6	0	0	0	112.1	W384 R385 M386 E390 H391 V422 L442 E447 R449	W384-W388 WeakPolarHBondContact O-CB 3.28Å; W384-W388 PolarHBondContact O-N 2.89Å; R385-W388 PolarHBondContact O-N 2.84Å; M386-W388 VanDerWaalsContact C-N 3.28Å; M386-W388 PolarHBondContact O-N 3.38Å; W388-E390 VanDerWaalsContact C-N 3.34Å; W388-E390 PolarHBondContact O-N 2.89Å; W388-H391 PolarHBondContact O-CD2 2.81Å; W388-H391 PolarHBondContact O-N 3.43Å; W388-V422 HydrophobicContact CB-CG2 4.05Å; W388-V422 HydrophobicContact CD2-CG1 4.33Å; W388-V422 HydrophobicContact CD2-CG2 3.95Å; W388-V422 HydrophobicContact CE3-CG1 3.77Å; W388-V422 HydrophobicContact CE3-CG2 4.24Å; W388-V422 HydrophobicContact CG-CG2 3.85Å; W388-V422 HydrophobicContact CZ3-CG1 4.36Å; W388-L442 HydrophobicContact CE3-CB 4.03Å; W388-L442 HydrophobicContact CZ3-CB 3.9Å; W388-E447 HydrophobicContact CH2-CB 3.99Å; W388-E447 HydrophobicContact CH2-CG 4.01Å; W388-E447 HydrophobicContact CZ2-CB 4.21Å; W388-E447 HydrophobicContact CZ2-CG 4.32Å; W388-R449 HydrophobicContact CH2-CG 4.43Å; W388-R449 HydrophobicContact CZ3-CG 4.24Å; W388-R449 PolarHBondContact O-NH1 2.8Å
389	Q	97.4	Very high	97.5	Very high	45 Å²	45	15.5 Å²	15.5	21%	0.21	8%	0.076	C	C	.	.	H	α-helix	trans	-59.7	-43.2	-179.1	178	179.7	-72	0	0	112.6	C340 T342 R385 M386 H391	C340-Q389 PolarHBondContact O-NE2 3.5Å; T342-Q389 PolarHBondContact OG1-OE1 2.78Å; R385-Q389 VanDerWaalsContact O-CB 3.24Å; R385-Q389 WeakPolarHBondContact O-CB 3.4Å; R385-Q389 PolarHBondContact O-N 2.92Å; M386-Q389 PolarHBondContact O-N 2.82Å; Q389-H391 VanDerWaalsContact C-N 3.27Å; Q389-H391 PolarHBondContact O-CD2 2.82Å; Q389-H391 PolarHBondContact O-N 2.83Å
390	E	98	Very high	97	Very high	26 Å²	26	17.3 Å²	17.3	12%	0.121	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	1.3	-174.2	-59	-59.6	137.5	0	0	112.8	Y358 I370 M386 W388 T392 A490	Y358-E390 WeakPolarHBondContact CE1-OE2 3.43Å; Y358-E390 PolarHBondContact OH-OE1 3.36Å; Y358-E390 PolarHBondContact OH-OE2 2.82Å; I370-E390 HydrophobicContact CD1-CB 4.01Å; I370-E390 HydrophobicContact CD1-CG 3.68Å; M386-E390 HydrophobicContact CG-CG 4.25Å; M386-E390 WeakPolarHBondContact O-CB 3.3Å; M386-E390 WeakPolarHBondContact O-CG 3.09Å; M386-E390 PolarHBondContact O-N 3.28Å; W388-E390 VanDerWaalsContact C-N 3.34Å; W388-E390 PolarHBondContact O-N 2.89Å; E390-T392 PolarHBondContact O-N 2.85Å; E390-A490 WeakPolarHBondContact O-CB 3.42Å
391	H	97.5	Very high	96.5	Very high	104 Å²	104	18.9 Å²	18.9	48%	0.481	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	34.1	-177.4	-65.7	-145.9	0	0	0	111.8	V387 W388 Q389 P393 R449 A490	V387-H391 PolarHBondContact O-N 3.36Å; W388-H391 PolarHBondContact O-CD2 2.81Å; W388-H391 PolarHBondContact O-N 3.43Å; Q389-H391 VanDerWaalsContact C-N 3.27Å; Q389-H391 PolarHBondContact O-CD2 2.82Å; Q389-H391 PolarHBondContact O-N 2.83Å; H391-P393 WeakPolarHBondContact O-CD 3.48Å; H391-R449 PolarHBondContact CD2-NH1 2.76Å; H391-R449 VanDerWaalsContact CD2-NH1 3.31Å; H391-R449 PolarHBondContact CE1-NH2 3.42Å; H391-R449 PolarHBondContact NE2-NH2 2.77Å; H391-A490 HydrophobicContact CB-CB 4.14Å; H391-A490 WeakPolarHBondContact O-CB 3.45Å
392	T	98.4	Very high	95.8	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.018	12%	0.115	C	C	.	.			trans	-60.2	122	-173.5	-67.7	0	0	0	0	110.7	V387 E390 I394 I395 L451 P491 I493	V387-T392 PolarHBondContact O-N 3.01Å; V387-T392 VanDerWaalsContact O-N 3.16Å; E390-T392 PolarHBondContact O-N 2.85Å; T392-I394 WeakPolarHBondContact CG2-O 3.21Å; T392-I395 HydrophobicContact CG2-CG1 4.22Å; T392-L451 HydrophobicContact CG2-CD1 4.38Å; T392-L451 VanDerWaalsContact O-CD1 3.29Å; T392-L451 WeakPolarHBondContact O-CD1 3.37Å; T392-P491 WeakPolarHBondContact CG2-O 3.45Å; T392-P491 PolarHBondContact OG1-O 3.35Å; T392-P491 VanDerWaalsContact OG1-O 3.12Å; T392-I493 HydrophobicContact CG2-CB 4.01Å; T392-I493 HydrophobicContact CG2-CD1 3.72Å; T392-I493 HydrophobicContact CG2-CG1 3.73Å; T392-I493 WeakPolarHBondContact OG1-CD1 3.05Å
393	P	97.8	Very high	95	Very high	10 Å²	10	26.1 Å²	26.1	7%	0.065	12%	0.122	C	C	.	.			trans	-89.4	-21.7	179.2	33.2	-32.2	0	0	0	112.8	H391 L451 K452 E485	H391-P393 WeakPolarHBondContact O-CD 3.48Å; P393-L451 WeakPolarHBondContact O-CA 3.47Å; P393-L451 WeakPolarHBondContact O-CD1 3.49Å; P393-K452 PolarHBondContact O-N 2.96Å; P393-E485 HydrophobicContact CB-CG 3.97Å; P393-E485 HydrophobicContact CG-CG 4.15Å
394	I	98.8	Very high	94	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	131.9	-174.3	-55.7	171.7	0	0	0	110.7	T392 V396 K452 Y454 V478 A481 I492 I493	T392-I394 WeakPolarHBondContact CG2-O 3.21Å; I394-V396 HydrophobicContact CG2-CG2 4.07Å; I394-K452 CarbonylContact C-O 3.51Å; I394-K452 WeakPolarHBondContact CA-O 3.41Å; I394-K452 HydrophobicContact CG1-CB 4.35Å; I394-K452 HydrophobicContact CG1-CD 4.49Å; I394-Y454 HydrophobicContact CG2-CD2 3.81Å; I394-Y454 HydrophobicContact CG2-CE2 3.9Å; I394-V478 HydrophobicContact CG2-CG1 4.38Å; I394-A481 HydrophobicContact CD1-CB 3.76Å; I394-I492 HydrophobicContact CB-CG1 4.34Å; I394-I492 HydrophobicContact CB-CG2 4.05Å; I394-I492 HydrophobicContact CG2-CG2 4.03Å; I394-I493 PolarHBondContact O-N 3.29Å
395	I	98.9	Very high	93.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	130	167.7	-61.7	171.2	0	0	0	108.9	F383 W384 V387 T392 Y411 L451 K452 Y454 I493	F383-I395 HydrophobicContact CE1-CD1 3.89Å; F383-I395 HydrophobicContact CZ-CD1 3.96Å; F383-I395 HydrophobicContact CZ-CG2 4.33Å; W384-I395 HydrophobicContact CZ3-CD1 4.49Å; V387-I395 HydrophobicContact CG2-CD1 3.89Å; T392-I395 HydrophobicContact CG2-CG1 4.22Å; I395-Y411 WeakPolarHBondContact CG2-OH 3.48Å; I395-L451 HydrophobicContact CD1-CD1 4.06Å; I395-L451 HydrophobicContact CD1-CD2 3.71Å; I395-L451 HydrophobicContact CD1-CG 4.39Å; I395-L451 HydrophobicContact CG1-CD1 3.85Å; I395-L451 HydrophobicContact CG1-CD2 4.42Å; I395-K452 PolarHBondContact N-O 2.88Å; I395-Y454 PolarHBondContact O-N 3.37Å; I395-I493 CarbonylContact C-O 3.48Å; I395-I493 WeakPolarHBondContact CA-O 3.47Å; I395-I493 HydrophobicContact CG1-CB 4.17Å; I395-I493 HydrophobicContact CG1-CG2 4.49Å; I395-I493 HydrophobicContact CG2-CG2 4.31Å
396	V	98.8	Very high	92.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	108.4	174.4	-173.4	0	0	0	0	109.4	I394 I398 L474 V478 I492 I493 V494 H495 F506	I394-V396 HydrophobicContact CG2-CG2 4.07Å; V396-I398 HydrophobicContact CG1-CD1 4Å; V396-I398 HydrophobicContact CG1-CG1 3.82Å; V396-L474 HydrophobicContact CG1-CD2 4.04Å; V396-V478 HydrophobicContact CG2-CG1 4.22Å; V396-V478 HydrophobicContact CG2-CG2 3.79Å; V396-I492 HydrophobicContact CG2-CG2 4.1Å; V396-I493 PolarHBondContact N-O 3.43Å; V396-V494 HydrophobicContact CB-CG1 4.23Å; V396-V494 HydrophobicContact CB-CG2 4.26Å; V396-V494 HydrophobicContact CG1-CG1 4.47Å; V396-V494 WeakPolarHBondContact O-CA 3.39Å; V396-H495 PolarHBondContact O-N 3.26Å; V396-F506 HydrophobicContact CB-CE1 4.4Å; V396-F506 HydrophobicContact CB-CZ 4.46Å; V396-F506 HydrophobicContact CG1-CD1 4.47Å; V396-F506 HydrophobicContact CG1-CD2 4.31Å; V396-F506 HydrophobicContact CG1-CE1 4.19Å; V396-F506 HydrophobicContact CG1-CE2 4.03Å; V396-F506 HydrophobicContact CG1-CZ 3.97Å; V396-F506 HydrophobicContact CG2-CE1 4.15Å; V396-F506 HydrophobicContact CG2-CZ 4.02Å
397	M	98.4	Very high	92.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	116.5	177.4	173.8	172.4	179.4	0	0	110.2	T399 I401 C408 Y411 W412 Y454 W455 F456 H495	M397-T399 HydrophobicContact CE-CG2 3.92Å; M397-T399 VanDerWaalsContact CE-O 3.27Å; M397-T399 WeakPolarHBondContact CE-O 3.39Å; M397-T399 HydrophobicContact CG-CG2 4.27Å; M397-I401 HydrophobicContact CE-CG1 4.34Å; M397-C408 HydrophobicContact CE-CB 4.12Å; M397-Y411 HydrophobicContact SD-CE1 4.21Å; M397-W412 HydrophobicContact CE-CH2 3.84Å; M397-W412 HydrophobicContact CE-CZ3 3.9Å; M397-W412 HydrophobicContact SD-CE3 4.49Å; M397-W412 HydrophobicContact SD-CH2 3.72Å; M397-W412 HydrophobicContact SD-CZ3 3.4Å; M397-W412 WeakPolarHBondContact SD-CZ3 3.34Å; M397-Y454 PolarHBondContact N-O 3.18Å; M397-W455 HydrophobicContact CG-CG 4.42Å; M397-W455 HydrophobicContact SD-CG 4.1Å; M397-F456 PolarHBondContact O-N 3.5Å; M397-H495 WeakPolarHBondContact CB-NE2 3.37Å; M397-H495 VanDerWaalsContact CG-CE1 3.43Å; M397-H495 WeakPolarHBondContact CG-CE1 3.34Å
398	I	95.1	Very high	92.2	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.187	C	C	.	.			trans	-116.5	46	-174.8	-41	-179	0	0	0	110.6	V396 F456 W459 V494 H495 R502 F506	V396-I398 HydrophobicContact CG1-CD1 4Å; V396-I398 HydrophobicContact CG1-CG1 3.82Å; I398-F456 HydrophobicContact CG2-CD1 3.84Å; I398-W459 HydrophobicContact CG2-CB 4.25Å; I398-W459 HydrophobicContact CG2-CD2 4.08Å; I398-W459 HydrophobicContact CG2-CE3 3.51Å; I398-W459 HydrophobicContact CG2-CG 4.39Å; I398-W459 HydrophobicContact CG2-CZ3 4.23Å; I398-V494 HydrophobicContact CD1-CG1 4.06Å; I398-H495 PolarHBondContact N-O 3.13Å; I398-R502 HydrophobicContact CB-CB 4.29Å; I398-R502 HydrophobicContact CG2-CB 4.04Å; I398-R502 WeakPolarHBondContact O-CD 3.11Å; I398-R502 PolarHBondContact O-NH1 2.87Å; I398-F506 HydrophobicContact CD1-CB 3.27Å; I398-F506 HydrophobicContact CD1-CD1 4.36Å; I398-F506 HydrophobicContact CD1-CD2 3.84Å; I398-F506 HydrophobicContact CD1-CG 3.56Å
399	T	90.2	Very high	92.1	Very high	1 Å²	1	38 Å²	38	1%	0.006	19%	0.186	C	C	.	.	S	Bend	trans	-151.2	149.7	177.6	-169.4	0	0	0	0	110.4	M397 K407 C408 W455 R502	M397-T399 HydrophobicContact CE-CG2 3.92Å; M397-T399 VanDerWaalsContact CE-O 3.27Å; M397-T399 WeakPolarHBondContact CE-O 3.39Å; M397-T399 HydrophobicContact CG-CG2 4.27Å; T399-K407 WeakPolarHBondContact OG1-CB 3.4Å; T399-C408 HydrophobicContact CG2-CB 3.84Å; T399-W455 PolarHBondContact O-NE1 2.96Å; T399-R502 PolarHBondContact OG1-NH1 3Å
400	N	87.2	Confident	92	Very high	46 Å²	46	40.5 Å²	40.5	25%	0.246	20%	0.198	C	C	.	.			trans	-77.1	159.4	161.5	-69.3	-43.3	0	0	0	109.5	E403 K407 T457	N400-E403 HydrophobicContact CB-CG 3.92Å; N400-K407 WeakPolarHBondContact O-CB 3.38Å; N400-T457 PolarHBondContact ND2-O 3.03Å
401	I	86.4	Confident	92	Very high	41 Å²	41	39.3 Å²	39.3	21%	0.21	19%	0.192	C	C	.	.	S	Bend	trans	-63.9	-53.6	178.8	-71.3	162.8	0	0	0	109.2	M397 K407 C408 E410 W412 W455	M397-I401 HydrophobicContact CE-CG1 4.34Å; I401-K407 PolarHBondContact O-N 2.95Å; I401-C408 WeakPolarHBondContact CG2-O 3.05Å; I401-C408 PolarHBondContact O-N 2.98Å; I401-E410 HydrophobicContact CD1-CB 4.05Å; I401-E410 HydrophobicContact CD1-CG 4.4Å; I401-W412 HydrophobicContact CD1-CH2 4.06Å; I401-W412 HydrophobicContact CD1-CZ2 4.16Å; I401-W412 HydrophobicContact CG1-CH2 4.27Å; I401-W455 HydrophobicContact CD1-CH2 3.91Å; I401-W455 HydrophobicContact CD1-CZ2 4.14Å; I401-W455 HydrophobicContact CG1-CZ2 4.24Å
402	E	82.8	Confident	92	Very high	144 Å²	144	34.8 Å²	34.8	67%	0.673	17%	0.171	S	C	*	.	B	Isolated β-bridge	trans	-119.1	140.1	172.1	-71	179.9	175	0	0	109.5
403	E	79.4	Confident	91.8	Very high	45 Å²	45	35.3 Å²	35.3	21%	0.21	17%	0.174	C	C	.	.	S	Bend	trans	-123.6	-104.6	169.9	-66.1	174.4	174.8	0	0	106.8	N400 N405 K407 D461 R502	N400-E403 HydrophobicContact CB-CG 3.92Å; E403-N405 PolarHBondContact N-O 3.35Å; E403-K407 HydrophobicContact CB-CG 4.12Å; E403-K407 HydrophobicContact CG-CG 4Å; E403-K407 WeakPolarHBondContact OE2-CE 3.45Å; E403-K407 IonicContact OE2-NZ 3.96Å; E403-D461 HydrophobicContact CB-CB 3.72Å; E403-D461 VanDerWaalsContact CB-OD2 3.25Å; E403-D461 WeakPolarHBondContact CB-OD2 3.44Å; E403-D461 HydrophobicContact CG-CB 4.02Å; E403-D461 VanDerWaalsContact OE2-CB 3.23Å; E403-D461 WeakPolarHBondContact OE2-CB 3.43Å; E403-R502 VanDerWaalsContact CD-NH2 3.33Å; E403-R502 IonicContact OE1-CZ 3.24Å; E403-R502 IonicContact OE1-NH1 2.8Å; E403-R502 PolarHBondContact OE1-NH1 2.88Å; E403-R502 IonicContact OE1-NH2 3.15Å; E403-R502 PolarHBondContact OE1-NH2 3.28Å; E403-R502 IonicContact OE2-CZ 3.98Å; E403-R502 IonicContact OE2-NH1 2.85Å; E403-R502 IonicContact OE2-NH2 2.86Å; E403-R502 PolarHBondContact OE2-NH2 3.06Å
404	M	77.6	Confident	91.5	Very high	102 Å²	102	43.5 Å²	43.5	50%	0.502	21%	0.211	S	C	.	.	S	Bend	trans	-79.9	-29.8	164.3	-164.3	175.8	79.1	0	0	112.8	D461	M404-D461 PolarHBondContact N-OD2 3.47Å
405	N	81.4	Confident	91.3	Very high	84 Å²	84	50.9 Å²	50.9	45%	0.449	25%	0.246	S	C	.	.	S	Bend	trans	-138.3	168.6	179.4	-69.2	-42.5	0	0	0	108.8	E403 K407	E403-N405 PolarHBondContact N-O 3.35Å; N405-K407 PolarHBondContact O-N 3.25Å; N405-K407 VanDerWaalsContact O-N 3.14Å
406	E	87.4	Confident	91.2	Very high	92 Å²	92	56 Å²	56	43%	0.43	27%	0.27	S	S	.	.	B	Isolated β-bridge	trans	-60	116.3	172.3	-168.8	-165.3	164.2	0	0	110.6	R327 T409	R327-E406 PolarHBondContact NH1-O 2.83Å; R327-E406 VanDerWaalsContact NH1-O 3.16Å; R327-E406 IonicContact NH2-OE1 2.77Å; E406-T409 PolarHBondContact OE1-OG1 3.24Å
407	K	91.4	Very high	91.1	Very high	32 Å²	32	58 Å²	58	14%	0.139	28%	0.282	C	S	.	.			trans	-100.7	-30.2	179	-63.5	-61.8	-176.1	157.3	0	112.4	R327 T399 N400 I401 E403 N405 D461 S497	R327-K407 VanDerWaalsContact CZ-O 3.23Å; R327-K407 PolarHBondContact NE-O 2.82Å; T399-K407 WeakPolarHBondContact OG1-CB 3.4Å; N400-K407 WeakPolarHBondContact O-CB 3.38Å; I401-K407 PolarHBondContact O-N 2.95Å; E403-K407 HydrophobicContact CB-CG 4.12Å; E403-K407 HydrophobicContact CG-CG 4Å; E403-K407 WeakPolarHBondContact OE2-CE 3.45Å; E403-K407 IonicContact OE2-NZ 3.96Å; N405-K407 PolarHBondContact O-N 3.25Å; N405-K407 VanDerWaalsContact O-N 3.14Å; K407-D461 IonicContact NZ-OD1 3.61Å; K407-D461 PolarHBondContact NZ-OD1 3.2Å; K407-D461 VanDerWaalsContact NZ-OD1 3.09Å; K407-D461 IonicContact NZ-OD2 3.09Å; K407-S497 WeakPolarHBondContact CA-OG 3.34Å; K407-S497 WeakPolarHBondContact O-CA 3.09Å; K407-S497 WeakPolarHBondContact O-CB 3.5Å; K407-S497 PolarHBondContact O-OG 2.85Å
408	C	95.3	Very high	91	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.307	C	S	.	.			trans	-155.2	137.2	-178.7	-170.3	0	0	0	0	109.4	M397 T399 I401	M397-C408 HydrophobicContact CE-CB 4.12Å; T399-C408 HydrophobicContact CG2-CB 3.84Å; I401-C408 WeakPolarHBondContact CG2-O 3.05Å; I401-C408 PolarHBondContact O-N 2.98Å
409	T	95.8	Very high	90.9	Very high	24 Å²	24	65.5 Å²	65.5	15%	0.147	32%	0.32	C	S	.	.			trans	-75.3	142.5	168.3	-53.7	0	0	0	0	108.9	P375 I376 V377 V380 E406 Y411	P375-T409 WeakPolarHBondContact O-CB 3.3Å; P375-T409 PolarHBondContact O-N 2.97Å; P375-T409 PolarHBondContact O-OG1 2.8Å; I376-T409 WeakPolarHBondContact CA-OG1 3.34Å; V377-T409 HydrophobicContact CG2-CG2 4.03Å; V377-T409 PolarHBondContact N-OG1 3.42Å; V380-T409 HydrophobicContact CG2-CG2 4.41Å; E406-T409 PolarHBondContact OE1-OG1 3.24Å; T409-Y411 WeakPolarHBondContact O-CD1 3.34Å; T409-Y411 PolarHBondContact O-N 3.4Å; T409-Y411 VanDerWaalsContact O-N 3.11Å
410	E	96.5	Very high	90.7	Very high	96 Å²	96	69.8 Å²	69.8	45%	0.449	34%	0.343	S	S	.	.			trans	-67.3	107.9	170	-175.9	163.5	-147.8	0	0	109	I401 W412	I401-E410 HydrophobicContact CD1-CB 4.05Å; I401-E410 HydrophobicContact CD1-CG 4.4Å; E410-W412 HydrophobicContact CG-CD2 4.06Å; E410-W412 HydrophobicContact CG-CE3 4.47Å; E410-W412 HydrophobicContact CG-CH2 4.23Å; E410-W412 HydrophobicContact CG-CZ2 3.76Å; E410-W412 VanDerWaalsContact OE1-CE2 3.24Å; E410-W412 WeakPolarHBondContact OE1-CZ2 3.31Å; E410-W412 PolarHBondContact OE1-NE1 2.88Å
411	Y	97.4	Very high	90.9	Very high	1 Å²	1	74.1 Å²	74.1	0%	0.004	37%	0.366	C	S	.	.			trans	-104.8	-5.2	-172	62	-97.8	0	0	0	113.5	P375 F383 W384 I395 M397 T409 H453 H495	P375-Y411 HydrophobicContact CB-CD1 4.14Å; P375-Y411 HydrophobicContact CB-CG 4.38Å; P375-Y411 HydrophobicContact CG-CD1 3.65Å; P375-Y411 HydrophobicContact CG-CE1 4.1Å; P375-Y411 HydrophobicContact CG-CG 3.98Å; F383-Y411 AromaticContact CD1-CD2 3.94Å; F383-Y411 HydrophobicContact CD1-CD2 3.94Å; F383-Y411 HydrophobicContact CD1-CE2 4.1Å; F383-Y411 AromaticContact CE1-CD2 3.69Å; F383-Y411 HydrophobicContact CE1-CD2 3.69Å; F383-Y411 AromaticContact CE1-CE2 3.36Å; F383-Y411 HydrophobicContact CE1-CE2 3.36Å; F383-Y411 HydrophobicContact CE1-CG 4.48Å; F383-Y411 AromaticContact CE1-CZ 3.89Å; F383-Y411 AromaticContact CZ-CE2 3.91Å; F383-Y411 HydrophobicContact CZ-CE2 3.91Å; F383-Y411 AromaticContact CZ-CZ 3.96Å; W384-Y411 AromaticContact CZ2-CD2 3.75Å; W384-Y411 HydrophobicContact CZ2-CD2 3.75Å; W384-Y411 HydrophobicContact CZ2-CE2 4.17Å; W384-Y411 PolarHBondContact NE1-O 2.83Å; I395-Y411 WeakPolarHBondContact CG2-OH 3.48Å; M397-Y411 HydrophobicContact SD-CE1 4.21Å; T409-Y411 WeakPolarHBondContact O-CD1 3.34Å; T409-Y411 PolarHBondContact O-N 3.4Å; T409-Y411 VanDerWaalsContact O-N 3.11Å; Y411-H453 AromaticContact CE2-NE2 3.95Å; Y411-H453 AromaticContact CZ-NE2 3.53Å; Y411-H453 PolarHBondContact OH-CD2 2.93Å; Y411-H453 PolarHBondContact OH-NE2 2.94Å; Y411-H495 AromaticContact CE1-CE1 3.67Å; Y411-H495 AromaticContact CE1-NE2 3.41Å; Y411-H495 WeakPolarHBondContact CE1-NE2 3.48Å; Y411-H495 AromaticContact CZ-NE2 3.48Å; Y411-H495 PolarHBondContact OH-NE2 3.28Å
412	W	96.8	Very high	91.3	Very high	10 Å²	10	72.5 Å²	72.5	4%	0.038	36%	0.358	C	S	.	.	S	Bend	trans	-100.7	150.6	174.2	62.5	80.3	0	0	0	109.8	W384 M397 I401 E410 R438 H453 W455	W384-W412 HydrophobicContact CZ2-CB 4.45Å; M397-W412 HydrophobicContact CE-CH2 3.84Å; M397-W412 HydrophobicContact CE-CZ3 3.9Å; M397-W412 HydrophobicContact SD-CE3 4.49Å; M397-W412 HydrophobicContact SD-CH2 3.72Å; M397-W412 HydrophobicContact SD-CZ3 3.4Å; M397-W412 WeakPolarHBondContact SD-CZ3 3.34Å; I401-W412 HydrophobicContact CD1-CH2 4.06Å; I401-W412 HydrophobicContact CD1-CZ2 4.16Å; I401-W412 HydrophobicContact CG1-CH2 4.27Å; E410-W412 HydrophobicContact CG-CD2 4.06Å; E410-W412 HydrophobicContact CG-CE3 4.47Å; E410-W412 HydrophobicContact CG-CH2 4.23Å; E410-W412 HydrophobicContact CG-CZ2 3.76Å; E410-W412 VanDerWaalsContact OE1-CE2 3.24Å; E410-W412 WeakPolarHBondContact OE1-CZ2 3.31Å; E410-W412 PolarHBondContact OE1-NE1 2.88Å; W412-R438 VanDerWaalsContact CE2-CZ 3.48Å; W412-R438 VanDerWaalsContact NE1-CZ 3.31Å; W412-H453 AromaticContact CE3-CE1 3.73Å; W412-H453 AromaticContact CE3-NE2 3.89Å; W412-H453 AromaticContact CZ3-CE1 3.94Å; W412-W455 HydrophobicContact CH2-CD2 4.3Å; W412-W455 HydrophobicContact CH2-CE3 4.21Å; W412-W455 HydrophobicContact CH2-CH2 4.46Å; W412-W455 HydrophobicContact CH2-CZ3 4.27Å; W412-W455 HydrophobicContact CZ2-CD2 4.48Å; W412-W455 AromaticContact CZ2-CE3 3.93Å; W412-W455 HydrophobicContact CZ2-CE3 3.93Å; W412-W455 HydrophobicContact CZ2-CH2 4.23Å; W412-W455 AromaticContact CZ2-CZ3 3.76Å; W412-W455 HydrophobicContact CZ2-CZ3 3.76Å
413	P	95.2	Very high	92	Very high	14 Å²	14	68.4 Å²	68.4	9%	0.091	34%	0.339	C	S	.	.			trans	-79	162.3	176.6	34	-35.9	0	0	0	112	Q416 V417 I424 V426	P413-Q416 VanDerWaalsContact CB-C 3.48Å; P413-V417 HydrophobicContact CB-CB 3.9Å; P413-V417 HydrophobicContact CB-CG1 3.74Å; P413-V417 HydrophobicContact CG-CB 4.34Å; P413-V417 HydrophobicContact CG-CG1 3.76Å; P413-I424 HydrophobicContact CG-CG2 4.2Å; P413-V426 HydrophobicContact CG-CG2 4.17Å; P413-V426 WeakPolarHBondContact O-CG2 3.31Å
414	E	91.8	Very high	92.9	Very high	181 Å²	181	66.2 Å²	66.2	85%	0.846	33%	0.329	S	S	*	.	S	Bend	trans	-65.4	-45.4	165.3	-67.3	-174.5	170.9	0	0	111
415	E	93.1	Very high	93.9	Very high	156 Å²	156	63.1 Å²	63.1	73%	0.729	32%	0.316	S	S	*	.	S	Bend	trans	-123.5	-62.3	176.3	-65.7	-173.1	171	0	0	111.2	T425 V426	E415-T425 CarbonylContact O-C 3.45Å; E415-T425 WeakPolarHBondContact O-CA 3.35Å; E415-V426 PolarHBondContact O-N 3.21Å
416	Q	96.4	Very high	94.7	Very high	108 Å²	108	60.1 Å²	60.1	51%	0.505	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	144.5	-173.6	-178.6	171.6	79.8	0	0	113.1	P413 E423 I424 T425	P413-Q416 VanDerWaalsContact CB-C 3.48Å; Q416-E423 HydrophobicContact CG-CG 4.27Å; Q416-E423 PolarHBondContact NE2-OE1 2.82Å; Q416-I424 VanDerWaalsContact CA-O 3.29Å; Q416-I424 WeakPolarHBondContact CA-O 3.41Å; Q416-T425 PolarHBondContact NE2-OG1 2.8Å
417	V	97.3	Very high	95.2	Very high	40 Å²	40	61.7 Å²	61.7	24%	0.242	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	156	170.7	67.7	0	0	0	0	110.4	P413 Y419 I424	P413-V417 HydrophobicContact CB-CB 3.9Å; P413-V417 HydrophobicContact CB-CG1 3.74Å; P413-V417 HydrophobicContact CG-CB 4.34Å; P413-V417 HydrophobicContact CG-CG1 3.76Å; V417-Y419 HydrophobicContact CB-CE2 4.35Å; V417-Y419 HydrophobicContact CG1-CD2 3.96Å; V417-Y419 HydrophobicContact CG1-CE2 3.53Å; V417-Y419 HydrophobicContact CG2-CD2 4.34Å; V417-Y419 HydrophobicContact CG2-CE2 3.81Å; V417-I424 HydrophobicContact CG1-CB 4.23Å; V417-I424 HydrophobicContact CG1-CD1 4.14Å; V417-I424 PolarHBondContact N-O 2.83Å; V417-I424 PolarHBondContact O-N 2.82Å
418	V	96.3	Very high	95.5	Very high	88 Å²	88	65.9 Å²	65.9	53%	0.533	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	128.3	174.5	-177.1	0	0	0	0	109.5	V422 E423	V418-V422 WeakPolarHBondContact CA-O 3.43Å; V418-E423 HydrophobicContact CG2-CB 4.19Å; V418-E423 HydrophobicContact CG2-CG 4.31Å
419	Y	93.3	Very high	95.7	Very high	71 Å²	71	68.7 Å²	68.7	28%	0.278	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	125.3	169.5	-68	-70.9	0	0	0	109.1	V380 A381 W384 V417 D421 V422 I424	V380-Y419 HydrophobicContact CG1-CD2 4.32Å; V380-Y419 HydrophobicContact CG1-CE1 3.94Å; V380-Y419 HydrophobicContact CG1-CE2 3.65Å; V380-Y419 VanDerWaalsContact CG1-CZ 3.45Å; A381-Y419 HydrophobicContact CB-CD1 4.26Å; W384-Y419 AromaticContact CD1-CD2 3.31Å; W384-Y419 AromaticContact CD1-CE2 3.7Å; W384-Y419 HydrophobicContact CG-CD2 4.11Å; W384-Y419 AromaticContact NE1-CD2 3.79Å; W384-Y419 AromaticContact NE1-CE2 3.78Å; V417-Y419 HydrophobicContact CB-CE2 4.35Å; V417-Y419 HydrophobicContact CG1-CD2 3.96Å; V417-Y419 HydrophobicContact CG1-CE2 3.53Å; V417-Y419 HydrophobicContact CG2-CD2 4.34Å; V417-Y419 HydrophobicContact CG2-CE2 3.81Å; Y419-D421 VanDerWaalsContact C-N 3.33Å; Y419-D421 PolarHBondContact O-N 2.6Å; Y419-V422 PolarHBondContact N-O 2.9Å; Y419-V422 WeakPolarHBondContact O-CB 3.36Å; Y419-V422 PolarHBondContact O-N 2.7Å; Y419-I424 HydrophobicContact CD2-CD1 3.68Å
420	D	86.6	Confident	95.8	Very high	91 Å²	91	70.3 Å²	70.3	49%	0.487	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	43.8	53.1	174.8	-58.5	-23.3	0	0	0	113.8	R385 V422	R385-D420 VanDerWaalsContact CD-OD2 3.26Å; R385-D420 WeakPolarHBondContact CD-OD2 3.11Å; R385-D420 HydrophobicContact CG-CB 4.2Å; R385-D420 IonicContact NE-OD2 3.82Å; R385-D420 PolarHBondContact NE-OD2 2.98Å; D420-V422 PolarHBondContact O-N 3.02Å
421	D	90	Very high	95.7	Very high	137 Å²	137	72.1 Å²	72.1	73%	0.733	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	8.3	-179	-53.9	-44.1	0	0	0	116.4	Y419 S444	Y419-D421 VanDerWaalsContact C-N 3.33Å; Y419-D421 PolarHBondContact O-N 2.6Å; D421-S444 WeakPolarHBondContact O-CB 3.48Å; D421-S444 PolarHBondContact O-OG 2.78Å
422	V	95.8	Very high	95.6	Very high	7 Å²	7	74.6 Å²	74.6	4%	0.042	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	111.7	171.2	-172.3	0	0	0	0	109.1	W388 V418 Y419 D420 I424 L442	W388-V422 HydrophobicContact CB-CG2 4.05Å; W388-V422 HydrophobicContact CD2-CG1 4.33Å; W388-V422 HydrophobicContact CD2-CG2 3.95Å; W388-V422 HydrophobicContact CE3-CG1 3.77Å; W388-V422 HydrophobicContact CE3-CG2 4.24Å; W388-V422 HydrophobicContact CG-CG2 3.85Å; W388-V422 HydrophobicContact CZ3-CG1 4.36Å; V418-V422 WeakPolarHBondContact CA-O 3.43Å; Y419-V422 PolarHBondContact N-O 2.9Å; Y419-V422 WeakPolarHBondContact O-CB 3.36Å; Y419-V422 PolarHBondContact O-N 2.7Å; D420-V422 PolarHBondContact O-N 3.02Å; V422-I424 HydrophobicContact CG1-CG1 4.35Å; V422-I424 WeakPolarHBondContact O-CD1 3.16Å; V422-L442 HydrophobicContact CG1-CB 4.33Å
423	E	97.9	Very high	95.3	Very high	57 Å²	57	82.5 Å²	82.5	27%	0.266	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	118.6	172.2	-178.9	-176.8	176.7	0	0	109.1	Q416 V418 L442 K443	Q416-E423 HydrophobicContact CG-CG 4.27Å; Q416-E423 PolarHBondContact NE2-OE1 2.82Å; V418-E423 HydrophobicContact CG2-CB 4.19Å; V418-E423 HydrophobicContact CG2-CG 4.31Å; E423-L442 CarbonylContact O-C 3.6Å; E423-L442 WeakPolarHBondContact O-CA 3.45Å; E423-K443 HydrophobicContact CB-CB 4.28Å; E423-K443 PolarHBondContact N-O 2.78Å; E423-K443 PolarHBondContact O-N 3.32Å
424	I	98.5	Very high	95.1	Very high	0 Å²	0	83.2 Å²	83.2	0%	0	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	121.7	178.9	-58.8	112.1	0	0	0	108.2	W384 P413 Q416 V417 Y419 V422 I440 L442	W384-I424 HydrophobicContact CB-CD1 4.42Å; W384-I424 HydrophobicContact CD2-CD1 3.84Å; W384-I424 HydrophobicContact CD2-CG1 3.93Å; W384-I424 HydrophobicContact CE3-CD1 4.32Å; W384-I424 HydrophobicContact CE3-CG1 3.94Å; W384-I424 HydrophobicContact CG-CD1 3.87Å; W384-I424 HydrophobicContact CG-CG1 4.46Å; W384-I424 HydrophobicContact CH2-CG1 4.41Å; W384-I424 HydrophobicContact CH2-CG2 3.78Å; W384-I424 HydrophobicContact CZ2-CG1 4.39Å; W384-I424 HydrophobicContact CZ2-CG2 3.91Å; W384-I424 HydrophobicContact CZ3-CG1 4.19Å; W384-I424 HydrophobicContact CZ3-CG2 4.24Å; P413-I424 HydrophobicContact CG-CG2 4.2Å; Q416-I424 VanDerWaalsContact CA-O 3.29Å; Q416-I424 WeakPolarHBondContact CA-O 3.41Å; V417-I424 HydrophobicContact CG1-CB 4.23Å; V417-I424 HydrophobicContact CG1-CD1 4.14Å; V417-I424 PolarHBondContact N-O 2.83Å; V417-I424 PolarHBondContact O-N 2.82Å; Y419-I424 HydrophobicContact CD2-CD1 3.68Å; V422-I424 HydrophobicContact CG1-CG1 4.35Å; V422-I424 WeakPolarHBondContact O-CD1 3.16Å; I424-I440 HydrophobicContact CG2-CG2 3.58Å; I424-L442 HydrophobicContact CB-CD2 4.19Å; I424-L442 HydrophobicContact CG1-CD2 3.58Å; I424-L442 HydrophobicContact CG2-CD2 4.04Å
425	T	98.4	Very high	95.3	Very high	37 Å²	37	75.1 Å²	75.1	23%	0.227	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	124.2	-178.4	-53	0	0	0	0	110.5	E415 Q416 Q427 I440 S441	E415-T425 CarbonylContact O-C 3.45Å; E415-T425 WeakPolarHBondContact O-CA 3.35Å; Q416-T425 PolarHBondContact NE2-OG1 2.8Å; T425-Q427 PolarHBondContact O-N 3.13Å; T425-I440 CarbonylContact O-C 3.56Å; T425-I440 WeakPolarHBondContact O-CA 3.5Å; T425-S441 PolarHBondContact N-O 3.17Å; T425-S441 PolarHBondContact O-N 3.08Å
426	V	98.5	Very high	95.4	Very high	20 Å²	20	72 Å²	72	12%	0.121	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	108.6	173.3	178.1	0	0	0	0	108.6	P413 E415 V429 R438 I440	P413-V426 HydrophobicContact CG-CG2 4.17Å; P413-V426 WeakPolarHBondContact O-CG2 3.31Å; E415-V426 PolarHBondContact O-N 3.21Å; V426-V429 HydrophobicContact CG1-CG2 3.76Å; V426-R438 HydrophobicContact CG1-CB 4.39Å; V426-I440 HydrophobicContact CG2-CG1 4.27Å
427	Q	97.9	Very high	95.5	Very high	126 Å²	126	67.8 Å²	67.8	59%	0.589	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.6	-37.5	-178.4	-62.2	-175.3	-25.9	0	0	112.3	T425 L439 S441	T425-Q427 PolarHBondContact O-N 3.13Å; Q427-L439 WeakPolarHBondContact CB-O 3.24Å; Q427-L439 PolarHBondContact N-O 3.18Å; Q427-S441 VanDerWaalsContact NE2-CB 3.28Å
428	K	97.9	Very high	95.5	Very high	120 Å²	120	66.9 Å²	66.9	52%	0.522	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	143	-176.1	-170.4	177.6	-179	-177	0	110.9	I430 R438 L439	K428-I430 HydrophobicContact CD-CD1 4.3Å; K428-I430 HydrophobicContact CD-CG1 4.16Å; K428-I430 HydrophobicContact CG-CG1 4.23Å; K428-R438 CarbonylContact O-C 3.53Å; K428-R438 VanDerWaalsContact O-CA 3.31Å; K428-R438 WeakPolarHBondContact O-CA 3.25Å; K428-L439 HydrophobicContact CB-CB 4.23Å; K428-L439 HydrophobicContact CB-CD1 4.23Å; K428-L439 HydrophobicContact CB-CG 4.35Å; K428-L439 HydrophobicContact CD-CD1 4.24Å; K428-L439 PolarHBondContact N-O 3.31Å; K428-L439 PolarHBondContact O-N 2.95Å
429	V	98.1	Very high	95.6	Very high	59 Å²	59	65.2 Å²	65.2	36%	0.358	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	126.7	169.7	-170.9	0	0	0	0	109	V426 L437 R438	V426-V429 HydrophobicContact CG1-CG2 3.76Å; V429-L437 CarbonylContact C-O 3.53Å; V429-R438 HydrophobicContact CG1-CG 4.28Å; V429-R438 HydrophobicContact CG2-CG 4.14Å
430	I	97.7	Very high	95.9	Very high	58 Å²	58	62 Å²	62	30%	0.297	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	121.7	177.3	-57.9	169.2	0	0	0	107.3	K428 R436 L437	K428-I430 HydrophobicContact CD-CD1 4.3Å; K428-I430 HydrophobicContact CD-CG1 4.16Å; K428-I430 HydrophobicContact CG-CG1 4.23Å; I430-R436 WeakPolarHBondContact O-CA 3.26Å; I430-L437 HydrophobicContact CB-CB 4.29Å; I430-L437 HydrophobicContact CD1-CD2 4.14Å; I430-L437 PolarHBondContact N-O 3.19Å; I430-L437 PolarHBondContact O-N 3.28Å
431	H	95.9	Very high	96.5	Very high	133 Å²	133	58 Å²	58	62%	0.616	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.8	123.7	179	-67.5	-96.6	0	0	0	109.6
432	T	94	Very high	96.9	Very high	54 Å²	54	51.7 Å²	51.7	33%	0.331	25%	0.251	S	S	.	.			trans	-113.2	-178.9	168.1	75.7	0	0	0	0	109.4	Y435	T432-Y435 HydrophobicContact CG2-CD2 4.19Å; T432-Y435 HydrophobicContact CG2-CE1 4.13Å; T432-Y435 HydrophobicContact CG2-CE2 3.62Å; T432-Y435 PolarHBondContact N-O 3.41Å; T432-Y435 WeakPolarHBondContact OG1-CD1 3.25Å; T432-Y435 WeakPolarHBondContact OG1-CE1 3.4Å; T432-Y435 VanDerWaalsContact OG1-CG 3.28Å; T432-Y435 PolarHBondContact OG1-N 3.48Å; T432-Y435 PolarHBondContact OG1-O 2.88Å
433	E	90.1	Very high	96.9	Very high	176 Å²	176	55.4 Å²	55.4	82%	0.822	27%	0.267	S	S	*	.	S	Bend	trans	-65.2	-44.9	179.7	-173.8	174.3	179.2	0	0	111.9
434	D	91.7	Very high	96.9	Very high	28 Å²	28	54.2 Å²	54.2	15%	0.15	27%	0.265	C	S	.	.	S	Bend	trans	-108.4	-15.1	-170.4	-68.3	-59.2	0	0	0	114.9	F456 T457 S458 P470	D434-F456 HydrophobicContact CB-CD2 4.35Å; D434-F456 HydrophobicContact CB-CE2 3.84Å; D434-F456 WeakPolarHBondContact O-CD2 3.04Å; D434-T457 PolarHBondContact O-N 3.43Å; D434-T457 PolarHBondContact O-OG1 3.47Å; D434-S458 WeakPolarHBondContact CA-OG 3.49Å; D434-S458 VanDerWaalsContact OD1-CB 3.3Å; D434-S458 WeakPolarHBondContact OD1-CB 3.34Å; D434-S458 PolarHBondContact OD1-OG 2.96Å; D434-P470 HydrophobicContact CB-CB 4.11Å; D434-P470 WeakPolarHBondContact OD2-CB 3.37Å
435	Y	94.9	Very high	96.6	Very high	12 Å²	12	57.5 Å²	57.5	5%	0.047	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	164.4	-179.7	70.2	-98.9	0	0	0	113.1	T432 L437 Y454 W455 H473 L474 E477	T432-Y435 HydrophobicContact CG2-CD2 4.19Å; T432-Y435 HydrophobicContact CG2-CE1 4.13Å; T432-Y435 HydrophobicContact CG2-CE2 3.62Å; T432-Y435 PolarHBondContact N-O 3.41Å; T432-Y435 WeakPolarHBondContact OG1-CD1 3.25Å; T432-Y435 WeakPolarHBondContact OG1-CE1 3.4Å; T432-Y435 VanDerWaalsContact OG1-CG 3.28Å; T432-Y435 PolarHBondContact OG1-N 3.48Å; T432-Y435 PolarHBondContact OG1-O 2.88Å; Y435-L437 HydrophobicContact CD2-CB 4.22Å; Y435-L437 HydrophobicContact CE2-CB 3.9Å; Y435-Y454 AromaticContact CD2-CD1 3.92Å; Y435-Y454 HydrophobicContact CD2-CD1 3.92Å; Y435-Y454 AromaticContact CE2-CD1 3.87Å; Y435-Y454 HydrophobicContact CE2-CD1 3.87Å; Y435-Y454 HydrophobicContact CE2-CE1 4.01Å; Y435-W455 CarbonylContact C-O 3.59Å; Y435-W455 WeakPolarHBondContact CA-O 3.45Å; Y435-W455 WeakPolarHBondContact CB-O 3.46Å; Y435-H473 AromaticContact CE1-ND1 3.99Å; Y435-L474 HydrophobicContact CD1-CD1 4.17Å; Y435-L474 HydrophobicContact CG-CD1 4.29Å; Y435-E477 HydrophobicContact CE1-CG 4.25Å; Y435-E477 PolarHBondContact OH-OE2 3.36Å
436	R	96.3	Very high	96.4	Very high	91 Å²	91	63 Å²	63	34%	0.343	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	124.1	169.9	-59.5	173.1	-175.3	175.9	-2	108.1	I430 W455	I430-R436 WeakPolarHBondContact O-CA 3.26Å; R436-W455 HydrophobicContact CB-CB 4.38Å; R436-W455 HydrophobicContact CB-CE3 4.5Å; R436-W455 PolarHBondContact N-O 3.35Å; R436-W455 PolarHBondContact O-N 3.28Å
437	L	98.1	Very high	96.4	Very high	18 Å²	18	65.9 Å²	65.9	9%	0.094	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	120.4	176.1	169.4	61.5	0	0	0	109.3	V429 I430 Y435 L439 K452 H453 Y454	V429-L437 CarbonylContact C-O 3.53Å; I430-L437 HydrophobicContact CB-CB 4.29Å; I430-L437 HydrophobicContact CD1-CD2 4.14Å; I430-L437 PolarHBondContact N-O 3.19Å; I430-L437 PolarHBondContact O-N 3.28Å; Y435-L437 HydrophobicContact CD2-CB 4.22Å; Y435-L437 HydrophobicContact CE2-CB 3.9Å; L437-L439 HydrophobicContact CD1-CD2 4.32Å; L437-L439 HydrophobicContact CD2-CD2 4.39Å; L437-L439 HydrophobicContact CG-CD2 4.27Å; L437-K452 HydrophobicContact CD1-CB 4.02Å; L437-H453 CarbonylContact C-O 3.57Å; L437-H453 WeakPolarHBondContact CA-O 3.41Å; L437-Y454 HydrophobicContact CD1-CD1 4.19Å; L437-Y454 HydrophobicContact CD1-CD2 4.11Å; L437-Y454 HydrophobicContact CD1-CE1 4.01Å; L437-Y454 HydrophobicContact CD1-CE2 3.91Å; L437-Y454 HydrophobicContact CD1-CG 4.24Å; L437-Y454 HydrophobicContact CD2-CE1 4.29Å
438	R	98.6	Very high	96.4	Very high	22 Å²	22	65.7 Å²	65.7	8%	0.083	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	132.5	168.3	-54.1	-176.2	173.7	81.4	-6	110	W412 V426 K428 V429 I440 H453	W412-R438 VanDerWaalsContact CE2-CZ 3.48Å; W412-R438 VanDerWaalsContact NE1-CZ 3.31Å; V426-R438 HydrophobicContact CG1-CB 4.39Å; K428-R438 CarbonylContact O-C 3.53Å; K428-R438 VanDerWaalsContact O-CA 3.31Å; K428-R438 WeakPolarHBondContact O-CA 3.25Å; V429-R438 HydrophobicContact CG1-CG 4.28Å; V429-R438 HydrophobicContact CG2-CG 4.14Å; R438-I440 HydrophobicContact CB-CD1 4.31Å; R438-I440 HydrophobicContact CB-CG1 4.03Å; R438-H453 HydrophobicContact CB-CB 4.17Å; R438-H453 PolarHBondContact N-O 2.8Å; R438-H453 PolarHBondContact NH1-ND1 3.48Å; R438-H453 PolarHBondContact O-N 3.02Å
439	L	98.4	Very high	96.3	Very high	53 Å²	53	61.7 Å²	61.7	28%	0.277	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	114.9	165.9	-55	-176.4	0	0	0	107.1	Q427 K428 L437 K452	Q427-L439 WeakPolarHBondContact CB-O 3.24Å; Q427-L439 PolarHBondContact N-O 3.18Å; K428-L439 HydrophobicContact CB-CB 4.23Å; K428-L439 HydrophobicContact CB-CD1 4.23Å; K428-L439 HydrophobicContact CB-CG 4.35Å; K428-L439 HydrophobicContact CD-CD1 4.24Å; K428-L439 PolarHBondContact N-O 3.31Å; K428-L439 PolarHBondContact O-N 2.95Å; L437-L439 HydrophobicContact CD1-CD2 4.32Å; L437-L439 HydrophobicContact CD2-CD2 4.39Å; L437-L439 HydrophobicContact CG-CD2 4.27Å; L439-K452 HydrophobicContact CD2-CG 4.07Å
440	I	98.6	Very high	96.3	Very high	2 Å²	2	61.8 Å²	61.8	1%	0.01	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	138	-174.3	-61.7	179	0	0	0	108.1	W384 I424 T425 V426 R438 L442 L451 H453	W384-I440 HydrophobicContact CH2-CD1 4.33Å; I424-I440 HydrophobicContact CG2-CG2 3.58Å; T425-I440 CarbonylContact O-C 3.56Å; T425-I440 WeakPolarHBondContact O-CA 3.5Å; V426-I440 HydrophobicContact CG2-CG1 4.27Å; R438-I440 HydrophobicContact CB-CD1 4.31Å; R438-I440 HydrophobicContact CB-CG1 4.03Å; I440-L442 HydrophobicContact CG2-CD2 3.9Å; I440-L442 HydrophobicContact CG2-CG 4.49Å; I440-L451 HydrophobicContact CB-CB 4.1Å; I440-L451 HydrophobicContact CB-CD2 4.17Å; I440-L451 HydrophobicContact CB-CG 4.39Å; I440-L451 HydrophobicContact CD1-CD2 4.2Å; I440-L451 HydrophobicContact CG2-CB 4.48Å; I440-L451 HydrophobicContact CG2-CD2 4.16Å; I440-L451 PolarHBondContact N-O 2.63Å; I440-L451 PolarHBondContact O-N 3Å; I440-H453 HydrophobicContact CD1-CB 3.74Å
441	S	98.3	Very high	96.3	Very high	8 Å²	8	59.1 Å²	59.1	6%	0.056	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	130.9	165.5	171	0	0	0	0	109.4	T425 Q427 E448 R449	T425-S441 PolarHBondContact N-O 3.17Å; T425-S441 PolarHBondContact O-N 3.08Å; Q427-S441 VanDerWaalsContact NE2-CB 3.28Å; S441-E448 VanDerWaalsContact OG-CG 3.26Å; S441-E448 WeakPolarHBondContact OG-CG 3.47Å; S441-E448 PolarHBondContact OG-OE1 3.13Å; S441-R449 WeakPolarHBondContact CA-O 3.31Å
442	L	98.3	Very high	96.4	Very high	4 Å²	4	54.5 Å²	54.5	2%	0.021	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	126	173.1	-54.8	176.7	0	0	0	108	W384 V387 W388 V422 E423 I424 I440 E448 R449 L451	W384-L442 HydrophobicContact CE3-CD2 4.03Å; W384-L442 HydrophobicContact CZ3-CD2 3.68Å; V387-L442 HydrophobicContact CG1-CD1 3.61Å; W388-L442 HydrophobicContact CE3-CB 4.03Å; W388-L442 HydrophobicContact CZ3-CB 3.9Å; V422-L442 HydrophobicContact CG1-CB 4.33Å; E423-L442 CarbonylContact O-C 3.6Å; E423-L442 WeakPolarHBondContact O-CA 3.45Å; I424-L442 HydrophobicContact CB-CD2 4.19Å; I424-L442 HydrophobicContact CG1-CD2 3.58Å; I424-L442 HydrophobicContact CG2-CD2 4.04Å; I440-L442 HydrophobicContact CG2-CD2 3.9Å; I440-L442 HydrophobicContact CG2-CG 4.49Å; L442-E448 CarbonylContact O-C 3.42Å; L442-E448 WeakPolarHBondContact O-CA 3.26Å; L442-R449 HydrophobicContact CB-CB 4.47Å; L442-R449 PolarHBondContact N-O 2.95Å; L442-R449 PolarHBondContact O-N 2.91Å; L442-L451 HydrophobicContact CD1-CB 4.26Å; L442-L451 HydrophobicContact CD1-CD2 4.2Å; L442-L451 HydrophobicContact CD2-CD2 4.37Å; L442-L451 HydrophobicContact CG-CB 4.35Å; L442-L451 HydrophobicContact CG-CD2 4.46Å
443	K	97.8	Very high	96.7	Very high	86 Å²	86	51.9 Å²	51.9	37%	0.374	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	129.8	-178.6	-176.7	-178.5	173.5	-166.3	0	111	E423 E447	E423-K443 HydrophobicContact CB-CB 4.28Å; E423-K443 PolarHBondContact N-O 2.78Å; E423-K443 PolarHBondContact O-N 3.32Å; K443-E447 WeakPolarHBondContact CA-O 3.21Å
444	S	96.1	Very high	97.1	Very high	31 Å²	31	44 Å²	44	22%	0.217	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	120.5	170.9	-166.4	0	0	0	0	109.6	D421 T446 E447	D421-S444 WeakPolarHBondContact O-CB 3.48Å; D421-S444 PolarHBondContact O-OG 2.78Å; S444-T446 PolarHBondContact O-N 3.01Å; S444-E447 PolarHBondContact N-O 3.21Å; S444-E447 PolarHBondContact O-N 2.88Å
445	G	93.5	Very high	97.3	Very high	69 Å²	69	43.4 Å²	43.4	71%	0.711	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	-111.6	-172.4	0	0	0	0	0	112.2
446	T	94.8	Very high	97.4	Very high	152 Å²	152	42.9 Å²	42.9	93%	0.933	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101	-7.5	-179.4	54.1	0	0	0	0	114.1	S444	S444-T446 PolarHBondContact O-N 3.01Å
447	E	97.3	Very high	97	Very high	82 Å²	82	40.2 Å²	40.2	38%	0.383	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	133	-177.6	-171.4	174	-173.4	0	0	110.1	W388 K443 S444 R449	W388-E447 HydrophobicContact CH2-CB 3.99Å; W388-E447 HydrophobicContact CH2-CG 4.01Å; W388-E447 HydrophobicContact CZ2-CB 4.21Å; W388-E447 HydrophobicContact CZ2-CG 4.32Å; K443-E447 WeakPolarHBondContact CA-O 3.21Å; S444-E447 PolarHBondContact N-O 3.21Å; S444-E447 PolarHBondContact O-N 2.88Å; E447-R449 HydrophobicContact CG-CG 4.26Å; E447-R449 IonicContact OE1-CZ 3.99Å; E447-R449 IonicContact OE1-NE 2.82Å; E447-R449 PolarHBondContact OE1-NE 2.83Å; E447-R449 IonicContact OE1-NH2 2.73Å; E447-R449 PolarHBondContact OE1-NH2 3.04Å; E447-R449 IonicContact OE2-CZ 3.7Å; E447-R449 IonicContact OE2-NE 3.29Å; E447-R449 IonicContact OE2-NH2 3.16Å; E447-R449 PolarHBondContact OE2-NH2 2.75Å
448	E	97.2	Very high	96.4	Very high	122 Å²	122	41.4 Å²	41.4	57%	0.57	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-128.2	135.2	175.6	-173.8	174.9	-178.3	0	0	109.3	S441 L442	S441-E448 VanDerWaalsContact OG-CG 3.26Å; S441-E448 WeakPolarHBondContact OG-CG 3.47Å; S441-E448 PolarHBondContact OG-OE1 3.13Å; L442-E448 CarbonylContact O-C 3.42Å; L442-E448 WeakPolarHBondContact O-CA 3.26Å
449	R	96.9	Very high	95.7	Very high	36 Å²	36	40.5 Å²	40.5	14%	0.136	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	138.7	-175.9	-56.2	176.2	-172.5	166.9	-0.2	110.3	W388 H391 S441 L442 E447	W388-R449 HydrophobicContact CH2-CG 4.43Å; W388-R449 HydrophobicContact CZ3-CG 4.24Å; W388-R449 PolarHBondContact O-NH1 2.8Å; H391-R449 PolarHBondContact CD2-NH1 2.76Å; H391-R449 VanDerWaalsContact CD2-NH1 3.31Å; H391-R449 PolarHBondContact CE1-NH2 3.42Å; H391-R449 PolarHBondContact NE2-NH2 2.77Å; S441-R449 WeakPolarHBondContact CA-O 3.31Å; L442-R449 HydrophobicContact CB-CB 4.47Å; L442-R449 PolarHBondContact N-O 2.95Å; L442-R449 PolarHBondContact O-N 2.91Å; E447-R449 HydrophobicContact CG-CG 4.26Å; E447-R449 IonicContact OE1-CZ 3.99Å; E447-R449 IonicContact OE1-NE 2.82Å; E447-R449 PolarHBondContact OE1-NE 2.83Å; E447-R449 IonicContact OE1-NH2 2.73Å; E447-R449 PolarHBondContact OE1-NH2 3.04Å; E447-R449 IonicContact OE2-CZ 3.7Å; E447-R449 IonicContact OE2-NE 3.29Å; E447-R449 IonicContact OE2-NH2 3.16Å; E447-R449 PolarHBondContact OE2-NH2 2.75Å
450	G	97.2	Very high	94.5	Very high	60 Å²	60	39.9 Å²	39.9	62%	0.619	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-83.6	143.6	171.9	0	0	0	0	0	111.5
451	L	98.4	Very high	92.5	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.016	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	130.5	177.2	171.2	71.9	0	0	0	110.1	W384 V387 T392 P393 I395 I440 L442	W384-L451 HydrophobicContact CH2-CD2 4.09Å; W384-L451 HydrophobicContact CZ3-CD2 3.71Å; V387-L451 HydrophobicContact CG1-CD2 4.23Å; T392-L451 HydrophobicContact CG2-CD1 4.38Å; T392-L451 VanDerWaalsContact O-CD1 3.29Å; T392-L451 WeakPolarHBondContact O-CD1 3.37Å; P393-L451 WeakPolarHBondContact O-CA 3.47Å; P393-L451 WeakPolarHBondContact O-CD1 3.49Å; I395-L451 HydrophobicContact CD1-CD1 4.06Å; I395-L451 HydrophobicContact CD1-CD2 3.71Å; I395-L451 HydrophobicContact CD1-CG 4.39Å; I395-L451 HydrophobicContact CG1-CD1 3.85Å; I395-L451 HydrophobicContact CG1-CD2 4.42Å; I440-L451 HydrophobicContact CB-CB 4.1Å; I440-L451 HydrophobicContact CB-CD2 4.17Å; I440-L451 HydrophobicContact CB-CG 4.39Å; I440-L451 HydrophobicContact CD1-CD2 4.2Å; I440-L451 HydrophobicContact CG2-CB 4.48Å; I440-L451 HydrophobicContact CG2-CD2 4.16Å; I440-L451 PolarHBondContact N-O 2.63Å; I440-L451 PolarHBondContact O-N 3Å; L442-L451 HydrophobicContact CD1-CB 4.26Å; L442-L451 HydrophobicContact CD1-CD2 4.2Å; L442-L451 HydrophobicContact CD2-CD2 4.37Å; L442-L451 HydrophobicContact CG-CB 4.35Å; L442-L451 HydrophobicContact CG-CD2 4.46Å
452	K	98.6	Very high	90.4	Very high	35 Å²	35	47.6 Å²	47.6	15%	0.152	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	115.8	172.9	-65.4	166.6	-176	152.6	0	109.3	P393 I394 I395 L437 L439 Y454 A481 E485	P393-K452 PolarHBondContact O-N 2.96Å; I394-K452 CarbonylContact C-O 3.51Å; I394-K452 WeakPolarHBondContact CA-O 3.41Å; I394-K452 HydrophobicContact CG1-CB 4.35Å; I394-K452 HydrophobicContact CG1-CD 4.49Å; I395-K452 PolarHBondContact N-O 2.88Å; L437-K452 HydrophobicContact CD1-CB 4.02Å; L439-K452 HydrophobicContact CD2-CG 4.07Å; K452-Y454 HydrophobicContact CB-CD2 4.43Å; K452-Y454 HydrophobicContact CB-CE2 3.85Å; K452-A481 HydrophobicContact CD-CB 4.02Å; K452-E485 IonicContact NZ-OE1 3.7Å; K452-E485 PolarHBondContact NZ-OE1 2.71Å
453	H	98.7	Very high	89	Confident	0 Å²	0	54 Å²	54	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	108	177.7	176.6	-95.9	0	0	0	110.3	Y411 W412 L437 R438 I440	Y411-H453 AromaticContact CE2-NE2 3.95Å; Y411-H453 AromaticContact CZ-NE2 3.53Å; Y411-H453 PolarHBondContact OH-CD2 2.93Å; Y411-H453 PolarHBondContact OH-NE2 2.94Å; W412-H453 AromaticContact CE3-CE1 3.73Å; W412-H453 AromaticContact CE3-NE2 3.89Å; W412-H453 AromaticContact CZ3-CE1 3.94Å; L437-H453 CarbonylContact C-O 3.57Å; L437-H453 WeakPolarHBondContact CA-O 3.41Å; R438-H453 HydrophobicContact CB-CB 4.17Å; R438-H453 PolarHBondContact N-O 2.8Å; R438-H453 PolarHBondContact NH1-ND1 3.48Å; R438-H453 PolarHBondContact O-N 3.02Å; I440-H453 HydrophobicContact CD1-CB 3.74Å
454	Y	98.6	Very high	87.9	Confident	9 Å²	9	51.5 Å²	51.5	4%	0.035	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	114.6	175.5	-67.7	-96.6	0	0	0	109.7	I394 I395 M397 Y435 L437 K452 L474 E477 V478	I394-Y454 HydrophobicContact CG2-CD2 3.81Å; I394-Y454 HydrophobicContact CG2-CE2 3.9Å; I395-Y454 PolarHBondContact O-N 3.37Å; M397-Y454 PolarHBondContact N-O 3.18Å; Y435-Y454 AromaticContact CD2-CD1 3.92Å; Y435-Y454 HydrophobicContact CD2-CD1 3.92Å; Y435-Y454 AromaticContact CE2-CD1 3.87Å; Y435-Y454 HydrophobicContact CE2-CD1 3.87Å; Y435-Y454 HydrophobicContact CE2-CE1 4.01Å; L437-Y454 HydrophobicContact CD1-CD1 4.19Å; L437-Y454 HydrophobicContact CD1-CD2 4.11Å; L437-Y454 HydrophobicContact CD1-CE1 4.01Å; L437-Y454 HydrophobicContact CD1-CE2 3.91Å; L437-Y454 HydrophobicContact CD1-CG 4.24Å; L437-Y454 HydrophobicContact CD2-CE1 4.29Å; K452-Y454 HydrophobicContact CB-CD2 4.43Å; K452-Y454 HydrophobicContact CB-CE2 3.85Å; Y454-L474 HydrophobicContact CD1-CD1 3.91Å; Y454-L474 HydrophobicContact CG-CD1 4.31Å; Y454-E477 HydrophobicContact CE1-CB 4.34Å; Y454-V478 HydrophobicContact CD2-CG2 4.2Å; Y454-V478 HydrophobicContact CE2-CG2 4.29Å; Y454-V478 HydrophobicContact CG-CG2 4.35Å
455	W	97.8	Very high	86.9	Confident	17 Å²	17	50.4 Å²	50.4	6%	0.064	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	100.6	172.1	179.1	19	0	0	0	110.4	M397 T399 I401 W412 Y435 R436 T457	M397-W455 HydrophobicContact CG-CG 4.42Å; M397-W455 HydrophobicContact SD-CG 4.1Å; T399-W455 PolarHBondContact O-NE1 2.96Å; I401-W455 HydrophobicContact CD1-CH2 3.91Å; I401-W455 HydrophobicContact CD1-CZ2 4.14Å; I401-W455 HydrophobicContact CG1-CZ2 4.24Å; W412-W455 HydrophobicContact CH2-CD2 4.3Å; W412-W455 HydrophobicContact CH2-CE3 4.21Å; W412-W455 HydrophobicContact CH2-CH2 4.46Å; W412-W455 HydrophobicContact CH2-CZ3 4.27Å; W412-W455 HydrophobicContact CZ2-CD2 4.48Å; W412-W455 AromaticContact CZ2-CE3 3.93Å; W412-W455 HydrophobicContact CZ2-CE3 3.93Å; W412-W455 HydrophobicContact CZ2-CH2 4.23Å; W412-W455 AromaticContact CZ2-CZ3 3.76Å; W412-W455 HydrophobicContact CZ2-CZ3 3.76Å; Y435-W455 CarbonylContact C-O 3.59Å; Y435-W455 WeakPolarHBondContact CA-O 3.45Å; Y435-W455 WeakPolarHBondContact CB-O 3.46Å; R436-W455 HydrophobicContact CB-CB 4.38Å; R436-W455 HydrophobicContact CB-CE3 4.5Å; R436-W455 PolarHBondContact N-O 3.35Å; R436-W455 PolarHBondContact O-N 3.28Å; W455-T457 HydrophobicContact CD2-CG2 3.99Å; W455-T457 HydrophobicContact CG-CG2 4.18Å; W455-T457 HydrophobicContact CZ2-CG2 4.22Å
456	F	95.2	Very high	85.6	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	116.9	176.9	-173.5	-101	0	0	0	110.8	M397 I398 D434 W459 P470 L474	M397-F456 PolarHBondContact O-N 3.5Å; I398-F456 HydrophobicContact CG2-CD1 3.84Å; D434-F456 HydrophobicContact CB-CD2 4.35Å; D434-F456 HydrophobicContact CB-CE2 3.84Å; D434-F456 WeakPolarHBondContact O-CD2 3.04Å; F456-W459 HydrophobicContact CD1-CB 4Å; F456-W459 HydrophobicContact CE1-CB 3.87Å; F456-W459 HydrophobicContact CE1-CE3 4.2Å; F456-P470 HydrophobicContact CE2-CB 3.89Å; F456-P470 HydrophobicContact CZ-CB 3.76Å; F456-L474 HydrophobicContact CB-CD2 3.81Å; F456-L474 HydrophobicContact CD2-CB 4.29Å; F456-L474 HydrophobicContact CD2-CD2 3.76Å; F456-L474 HydrophobicContact CD2-CG 4.43Å; F456-L474 HydrophobicContact CE2-CB 4.5Å; F456-L474 HydrophobicContact CG-CD2 3.87Å
457	T	89.6	Confident	84.6	Confident	36 Å²	36	55.8 Å²	55.8	22%	0.221	28%	0.283	C	S	.	.			trans	-103.8	-14	-171.7	48.8	0	0	0	0	113.6	N400 D434 W455 W459	N400-T457 PolarHBondContact ND2-O 3.03Å; D434-T457 PolarHBondContact O-N 3.43Å; D434-T457 PolarHBondContact O-OG1 3.47Å; W455-T457 HydrophobicContact CD2-CG2 3.99Å; W455-T457 HydrophobicContact CG-CG2 4.18Å; W455-T457 HydrophobicContact CZ2-CG2 4.22Å; T457-W459 VanDerWaalsContact C-N 3.3Å; T457-W459 PolarHBondContact O-N 3.31Å
458	S	85.5	Confident	83.9	Confident	43 Å²	43	52.5 Å²	52.5	30%	0.301	27%	0.27	S	S	.	.			trans	-85.1	10.8	-174.9	-61.9	0	0	0	0	114.7	D434 P460	D434-S458 WeakPolarHBondContact CA-OG 3.49Å; D434-S458 VanDerWaalsContact OD1-CB 3.3Å; D434-S458 WeakPolarHBondContact OD1-CB 3.34Å; D434-S458 PolarHBondContact OD1-OG 2.96Å; S458-P460 WeakPolarHBondContact O-CD 3.36Å
459	W	83.2	Confident	83.4	Confident	3 Å²	3	49.9 Å²	49.9	1%	0.011	26%	0.264	C	S	.	.			trans	-89.5	114.5	173.8	-159.3	-60.4	0	0	0	110.7	I398 F456 T457 K463 P465 L471 R502 C505 F547	I398-W459 HydrophobicContact CG2-CB 4.25Å; I398-W459 HydrophobicContact CG2-CD2 4.08Å; I398-W459 HydrophobicContact CG2-CE3 3.51Å; I398-W459 HydrophobicContact CG2-CG 4.39Å; I398-W459 HydrophobicContact CG2-CZ3 4.23Å; F456-W459 HydrophobicContact CD1-CB 4Å; F456-W459 HydrophobicContact CE1-CB 3.87Å; F456-W459 HydrophobicContact CE1-CE3 4.2Å; T457-W459 VanDerWaalsContact C-N 3.3Å; T457-W459 PolarHBondContact O-N 3.31Å; W459-K463 PolarHBondContact NE1-O 2.93Å; W459-P465 HydrophobicContact CD2-CG 3.61Å; W459-P465 VanDerWaalsContact CE2-CD 3.47Å; W459-P465 HydrophobicContact CE3-CG 3.67Å; W459-P465 HydrophobicContact CG-CG 4.09Å; W459-P465 HydrophobicContact CH2-CG 4.26Å; W459-P465 HydrophobicContact CZ2-CG 4.22Å; W459-P465 HydrophobicContact CZ3-CG 4.01Å; W459-L471 HydrophobicContact CH2-CD2 4.46Å; W459-L471 HydrophobicContact CZ3-CD1 4.04Å; W459-L471 HydrophobicContact CZ3-CD2 3.98Å; W459-R502 HydrophobicContact CD2-CB 4.27Å; W459-R502 HydrophobicContact CD2-CG 3.96Å; W459-R502 HydrophobicContact CE3-CB 4.42Å; W459-R502 HydrophobicContact CG-CG 4.26Å; W459-R502 HydrophobicContact CH2-CB 4.43Å; W459-R502 HydrophobicContact CZ2-CB 4.26Å; W459-R502 HydrophobicContact CZ2-CG 3.97Å; W459-R502 HydrophobicContact CZ3-CB 4.48Å; W459-C505 HydrophobicContact CH2-CB 3.62Å; W459-C505 HydrophobicContact CZ2-CB 4.5Å; W459-C505 HydrophobicContact CZ3-CB 4.34Å; W459-F547 HydrophobicContact CH2-CD1 4.09Å; W459-F547 AromaticContact CH2-CE1 3.95Å; W459-F547 HydrophobicContact CH2-CE1 3.95Å; W459-F547 HydrophobicContact CZ3-CE1 4.28Å
460	P	72.1	Confident	83.2	Confident	39 Å²	39	49 Å²	49	25%	0.253	26%	0.263	S	S	.	.			trans	-71.4	148.1	-177.4	28.1	-34	0	0	0	113.2	S458 K463 T464	S458-P460 WeakPolarHBondContact O-CD 3.36Å; P460-K463 HydrophobicContact CB-CB 4.44Å; P460-K463 HydrophobicContact CG-CB 4.01Å; P460-T464 WeakPolarHBondContact CG-O 3.41Å
461	D	57.3	Low	82.9	Confident	40 Å²	40	46.1 Å²	46.1	21%	0.214	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	140	173.3	-164.6	7	0	0	0	110.5	E403 M404 K407 K463 R502	E403-D461 HydrophobicContact CB-CB 3.72Å; E403-D461 VanDerWaalsContact CB-OD2 3.25Å; E403-D461 WeakPolarHBondContact CB-OD2 3.44Å; E403-D461 HydrophobicContact CG-CB 4.02Å; E403-D461 VanDerWaalsContact OE2-CB 3.23Å; E403-D461 WeakPolarHBondContact OE2-CB 3.43Å; M404-D461 PolarHBondContact N-OD2 3.47Å; K407-D461 IonicContact NZ-OD1 3.61Å; K407-D461 PolarHBondContact NZ-OD1 3.2Å; K407-D461 VanDerWaalsContact NZ-OD1 3.09Å; K407-D461 IonicContact NZ-OD2 3.09Å; D461-K463 PolarHBondContact O-N 2.91Å; D461-R502 IonicContact OD1-NH2 3.63Å
462	Q	54.5	Low	82.7	Confident	132 Å²	132	46.1 Å²	46.1	62%	0.617	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.7	12	176.6	-51	177.3	23.4	0	0	116.4
463	K	69.1	Low	82.4	Confident	140 Å²	140	48.6 Å²	48.6	61%	0.609	25%	0.245	S	C	*	.	S	Bend	trans	-136.6	171	179.4	-64.1	-175.9	-175.9	178.7	0	111.9	W459 P460 D461	W459-K463 PolarHBondContact NE1-O 2.93Å; P460-K463 HydrophobicContact CB-CB 4.44Å; P460-K463 HydrophobicContact CG-CB 4.01Å; D461-K463 PolarHBondContact O-N 2.91Å
464	T	74.1	Confident	82.3	Confident	33 Å²	33	48.6 Å²	48.6	20%	0.202	25%	0.245	C	C	.	.			trans	-81.3	153.8	161.5	51.9	0	0	0	0	109.1	P460 D466 E543 Q544 F547	P460-T464 WeakPolarHBondContact CG-O 3.41Å; T464-D466 PolarHBondContact O-N 3.36Å; T464-E543 HydrophobicContact CG2-CB 4.1Å; T464-E543 WeakPolarHBondContact CG2-O 3.23Å; T464-Q544 HydrophobicContact CG2-CG 4.22Å; T464-F547 HydrophobicContact CG2-CB 3.5Å; T464-F547 HydrophobicContact CG2-CD1 4.48Å; T464-F547 HydrophobicContact CG2-CD2 4.49Å; T464-F547 HydrophobicContact CG2-CG 3.94Å
465	P	74.5	Confident	82.2	Confident	8 Å²	8	48.2 Å²	48.2	5%	0.052	24%	0.244	C	C	.	.			trans	-52.9	134.9	171.5	-23.3	33.6	0	0	0	110	W459 R467 F547	W459-P465 HydrophobicContact CD2-CG 3.61Å; W459-P465 VanDerWaalsContact CE2-CD 3.47Å; W459-P465 HydrophobicContact CE3-CG 3.67Å; W459-P465 HydrophobicContact CG-CG 4.09Å; W459-P465 HydrophobicContact CH2-CG 4.26Å; W459-P465 HydrophobicContact CZ2-CG 4.22Å; W459-P465 HydrophobicContact CZ3-CG 4.01Å; P465-R467 WeakPolarHBondContact CB-O 3.45Å; P465-R467 PolarHBondContact O-N 3.38Å; P465-F547 HydrophobicContact CB-CE1 4.46Å; P465-F547 HydrophobicContact CB-CE2 4.05Å; P465-F547 HydrophobicContact CB-CZ 3.69Å; P465-F547 VanDerWaalsContact CD-CZ 3.48Å; P465-F547 HydrophobicContact CG-CE1 3.82Å; P465-F547 HydrophobicContact CG-CE2 4.24Å; P465-F547 HydrophobicContact CG-CZ 3.54Å; P465-F547 VanDerWaalsContact O-CE2 3.25Å; P465-F547 WeakPolarHBondContact O-CE2 3.5Å
466	D	66.7	Low	82.1	Confident	149 Å²	149	50.4 Å²	50.4	80%	0.797	25%	0.252	S	S	*	.	S	Bend	trans	-62.5	-16.4	177.4	-63.9	-33.1	0	0	0	111.8	T464	T464-D466 PolarHBondContact O-N 3.36Å
467	R	74.3	Confident	82.1	Confident	184 Å²	184	52.8 Å²	52.8	69%	0.694	26%	0.263	S	S	*	.			trans	-134.2	128.9	-177.3	-61.9	-172.5	-178.4	176.7	1.5	110	P465 P469 P470	P465-R467 WeakPolarHBondContact CB-O 3.45Å; P465-R467 PolarHBondContact O-N 3.38Å; R467-P469 VanDerWaalsContact C-CD 3.49Å; R467-P470 HydrophobicContact CB-CG 4.48Å; R467-P470 WeakPolarHBondContact O-CD 3.27Å
468	A	81.6	Confident	82.5	Confident	14 Å²	14	51.2 Å²	51.2	12%	0.116	25%	0.254	C	S	.	.	S	Bend	trans	-68.7	-35	172.6	0	0	0	0	0	115.8	L471 L472 F547 V551 L554	A468-L471 PolarHBondContact O-N 3.02Å; A468-L472 PolarHBondContact O-N 3.35Å; A468-F547 HydrophobicContact CB-CE2 4.34Å; A468-V551 HydrophobicContact CB-CB 4.35Å; A468-V551 HydrophobicContact CB-CG2 3.64Å; A468-L554 HydrophobicContact CB-CD2 3.73Å
469	P	88.4	Confident	82.9	Confident	67 Å²	67	50 Å²	50	44%	0.435	24%	0.243	S	C	.	.	H	α-helix	trans	-54.8	-42.4	-174.9	-23.9	28.8	0	0	0	116.3	R467 L471 L472 H473 L554	R467-P469 VanDerWaalsContact C-CD 3.49Å; P469-L471 PolarHBondContact O-N 3.05Å; P469-L472 PolarHBondContact O-N 3.4Å; P469-H473 WeakPolarHBondContact O-CB 3.4Å; P469-H473 PolarHBondContact O-N 3.47Å; P469-L554 HydrophobicContact CB-CD2 4.4Å; P469-L554 HydrophobicContact CG-CD2 3.77Å
470	P	91.4	Very high	83.4	Confident	17 Å²	17	54.8 Å²	54.8	11%	0.11	27%	0.265	C	S	.	.	H	α-helix	trans	-56.7	-44.4	178.7	-32.5	40.5	0	0	0	114.4	D434 F456 R467 H473 L474	D434-P470 HydrophobicContact CB-CB 4.11Å; D434-P470 WeakPolarHBondContact OD2-CB 3.37Å; F456-P470 HydrophobicContact CE2-CB 3.89Å; F456-P470 HydrophobicContact CZ-CB 3.76Å; R467-P470 HydrophobicContact CB-CG 4.48Å; R467-P470 WeakPolarHBondContact O-CD 3.27Å; P470-H473 PolarHBondContact O-N 3.35Å; P470-L474 PolarHBondContact O-N 2.96Å
471	L	92.3	Very high	84.5	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-66.1	-44	177.7	179.7	66.3	0	0	0	110.6	W459 A468 P469 H473 L474 V475 F506 F547 V551	W459-L471 HydrophobicContact CH2-CD2 4.46Å; W459-L471 HydrophobicContact CZ3-CD1 4.04Å; W459-L471 HydrophobicContact CZ3-CD2 3.98Å; A468-L471 PolarHBondContact O-N 3.02Å; P469-L471 PolarHBondContact O-N 3.05Å; L471-H473 VanDerWaalsContact C-N 3.3Å; L471-H473 PolarHBondContact O-N 2.97Å; L471-L474 WeakPolarHBondContact O-CB 3.21Å; L471-L474 PolarHBondContact O-N 3.47Å; L471-V475 WeakPolarHBondContact O-CG2 3.23Å; L471-V475 PolarHBondContact O-N 3.16Å; L471-F506 HydrophobicContact CD1-CB 4.47Å; L471-F506 HydrophobicContact CD1-CD2 3.89Å; L471-F547 HydrophobicContact CD2-CD1 4.47Å; L471-F547 HydrophobicContact CD2-CE1 3.64Å; L471-F547 HydrophobicContact CD2-CZ 4.43Å; L471-V551 HydrophobicContact CD2-CG2 4.27Å
472	L	92.6	Very high	86.3	Confident	3 Å²	3	52.7 Å²	52.7	2%	0.016	25%	0.254	C	S	.	.	H	α-helix	trans	-63.5	-38.4	-179.8	-176.7	59	0	0	0	112	A468 P469 V475 R476 V551 L554 Y555	A468-L472 PolarHBondContact O-N 3.35Å; P469-L472 PolarHBondContact O-N 3.4Å; L472-V475 PolarHBondContact O-N 2.99Å; L472-R476 WeakPolarHBondContact O-CG 3.4Å; L472-R476 PolarHBondContact O-N 3Å; L472-R476 VanDerWaalsContact O-N 3.08Å; L472-V551 HydrophobicContact CB-CG1 4.24Å; L472-V551 HydrophobicContact CD1-CG1 4.38Å; L472-L554 HydrophobicContact CD2-CD2 4.24Å; L472-L554 HydrophobicContact CD2-CG 4.32Å; L472-Y555 HydrophobicContact CD1-CD2 3.62Å; L472-Y555 HydrophobicContact CD1-CE2 4.38Å; L472-Y555 HydrophobicContact CD1-CG 3.94Å; L472-Y555 HydrophobicContact CD2-CD2 3.95Å; L472-Y555 HydrophobicContact CD2-CG 4.42Å; L472-Y555 HydrophobicContact CG-CD2 4.25Å
473	H	93.7	Very high	88	Confident	87 Å²	87	53.3 Å²	53.3	40%	0.403	26%	0.257	S	S	.	.	H	α-helix	trans	-61.9	-48.9	173.4	-175	-111.6	0	0	0	110.8	Y435 P469 P470 L471 V475 R476 E477	Y435-H473 AromaticContact CE1-ND1 3.99Å; P469-H473 WeakPolarHBondContact O-CB 3.4Å; P469-H473 PolarHBondContact O-N 3.47Å; P470-H473 PolarHBondContact O-N 3.35Å; L471-H473 VanDerWaalsContact C-N 3.3Å; L471-H473 PolarHBondContact O-N 2.97Å; H473-V475 VanDerWaalsContact C-N 3.31Å; H473-V475 PolarHBondContact O-N 3.39Å; H473-R476 PolarHBondContact O-N 3.07Å; H473-R476 VanDerWaalsContact O-N 3.15Å; H473-E477 IonicContact CE1-OE1 3.73Å; H473-E477 IonicContact NE2-OE1 2.75Å; H473-E477 VanDerWaalsContact O-CG 3.27Å; H473-E477 WeakPolarHBondContact O-CG 3.49Å; H473-E477 PolarHBondContact O-N 3.13Å
474	L	95.8	Very high	89.1	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-56.8	-42.8	175.4	-179	71.2	0	0	0	112.4	V396 Y435 Y454 F456 P470 L471 R476 E477 V478 F506	V396-L474 HydrophobicContact CG1-CD2 4.04Å; Y435-L474 HydrophobicContact CD1-CD1 4.17Å; Y435-L474 HydrophobicContact CG-CD1 4.29Å; Y454-L474 HydrophobicContact CD1-CD1 3.91Å; Y454-L474 HydrophobicContact CG-CD1 4.31Å; F456-L474 HydrophobicContact CB-CD2 3.81Å; F456-L474 HydrophobicContact CD2-CB 4.29Å; F456-L474 HydrophobicContact CD2-CD2 3.76Å; F456-L474 HydrophobicContact CD2-CG 4.43Å; F456-L474 HydrophobicContact CE2-CB 4.5Å; F456-L474 HydrophobicContact CG-CD2 3.87Å; P470-L474 PolarHBondContact O-N 2.96Å; L471-L474 WeakPolarHBondContact O-CB 3.21Å; L471-L474 PolarHBondContact O-N 3.47Å; L474-R476 PolarHBondContact O-N 3.07Å; L474-E477 PolarHBondContact O-N 3.07Å; L474-V478 HydrophobicContact CD1-CG2 4.37Å; L474-V478 HydrophobicContact CG-CG2 4.49Å; L474-V478 WeakPolarHBondContact O-CG2 3.29Å; L474-V478 PolarHBondContact O-N 3.4Å; L474-F506 HydrophobicContact CD2-CD2 4.05Å; L474-F506 HydrophobicContact CD2-CE2 3.84Å; L474-F506 HydrophobicContact CG-CE2 3.94Å
475	V	96.6	Very high	89.9	Confident	0 Å²	0	56 Å²	56	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-59.5	-46.4	177.2	167.6	0	0	0	0	110.8	L471 L472 H473 V478 E479 F506 T509	L471-V475 WeakPolarHBondContact O-CG2 3.23Å; L471-V475 PolarHBondContact O-N 3.16Å; L472-V475 PolarHBondContact O-N 2.99Å; H473-V475 VanDerWaalsContact C-N 3.31Å; H473-V475 PolarHBondContact O-N 3.39Å; V475-V478 PolarHBondContact O-N 2.86Å; V475-E479 HydrophobicContact CG1-CG 4.4Å; V475-E479 WeakPolarHBondContact O-CB 3.34Å; V475-E479 VanDerWaalsContact O-CG 3.28Å; V475-E479 WeakPolarHBondContact O-CG 3.36Å; V475-E479 PolarHBondContact O-N 3.3Å; V475-F506 HydrophobicContact CB-CE2 4.48Å; V475-F506 HydrophobicContact CG2-CD2 3.81Å; V475-F506 HydrophobicContact CG2-CE2 3.63Å; V475-F506 HydrophobicContact CG2-CZ 4.39Å; V475-T509 HydrophobicContact CG2-CG2 3.97Å
476	R	94.8	Very high	90.4	Very high	63 Å²	63	57 Å²	57	24%	0.238	28%	0.281	C	S	.	.	H	α-helix	trans	-62.5	-44.8	177.3	-71.5	179	177.4	170.9	0.8	112.4	L472 H473 L474 V478 E479 E480 Y555 Q558	L472-R476 WeakPolarHBondContact O-CG 3.4Å; L472-R476 PolarHBondContact O-N 3Å; L472-R476 VanDerWaalsContact O-N 3.08Å; H473-R476 PolarHBondContact O-N 3.07Å; H473-R476 VanDerWaalsContact O-N 3.15Å; L474-R476 PolarHBondContact O-N 3.07Å; R476-V478 VanDerWaalsContact C-N 3.32Å; R476-V478 PolarHBondContact O-N 3.09Å; R476-E479 PolarHBondContact O-N 3.15Å; R476-E480 WeakPolarHBondContact O-CG 3.33Å; R476-E480 PolarHBondContact O-N 3.36Å; R476-Y555 VanDerWaalsContact NH2-CD2 3.34Å; R476-Q558 VanDerWaalsContact CZ-OE1 3.27Å
477	E	96.5	Very high	90.6	Very high	50 Å²	50	55.7 Å²	55.7	23%	0.234	28%	0.281	C	S	.	.	H	α-helix	trans	-59.6	-41.9	177.6	-68.4	-72	127.8	0	0	112.1	Y435 Y454 H473 L474 A481	Y435-E477 HydrophobicContact CE1-CG 4.25Å; Y435-E477 PolarHBondContact OH-OE2 3.36Å; Y454-E477 HydrophobicContact CE1-CB 4.34Å; H473-E477 IonicContact CE1-OE1 3.73Å; H473-E477 IonicContact NE2-OE1 2.75Å; H473-E477 VanDerWaalsContact O-CG 3.27Å; H473-E477 WeakPolarHBondContact O-CG 3.49Å; H473-E477 PolarHBondContact O-N 3.13Å; L474-E477 PolarHBondContact O-N 3.07Å; E477-A481 WeakPolarHBondContact O-CB 3.47Å; E477-A481 PolarHBondContact O-N 2.87Å
478	V	97.1	Very high	90.8	Very high	4 Å²	4	55.6 Å²	55.6	2%	0.024	29%	0.288	C	S	.	.	H	α-helix	trans	-70.5	-39.6	176.9	172.8	0	0	0	0	111.1	I394 V396 Y454 L474 V475 R476 A481 T482 I492 F506	I394-V478 HydrophobicContact CG2-CG1 4.38Å; V396-V478 HydrophobicContact CG2-CG1 4.22Å; V396-V478 HydrophobicContact CG2-CG2 3.79Å; Y454-V478 HydrophobicContact CD2-CG2 4.2Å; Y454-V478 HydrophobicContact CE2-CG2 4.29Å; Y454-V478 HydrophobicContact CG-CG2 4.35Å; L474-V478 HydrophobicContact CD1-CG2 4.37Å; L474-V478 HydrophobicContact CG-CG2 4.49Å; L474-V478 WeakPolarHBondContact O-CG2 3.29Å; L474-V478 PolarHBondContact O-N 3.4Å; V475-V478 PolarHBondContact O-N 2.86Å; R476-V478 VanDerWaalsContact C-N 3.32Å; R476-V478 PolarHBondContact O-N 3.09Å; V478-A481 PolarHBondContact O-N 3.32Å; V478-T482 WeakPolarHBondContact O-CB 3.38Å; V478-T482 PolarHBondContact O-N 2.95Å; V478-T482 PolarHBondContact O-OG1 3.05Å; V478-I492 HydrophobicContact CG1-CD1 4.19Å; V478-F506 HydrophobicContact CB-CZ 4.08Å; V478-F506 HydrophobicContact CG1-CZ 4.09Å; V478-F506 HydrophobicContact CG2-CZ 4.01Å
479	E	93.9	Very high	91.1	Very high	17 Å²	17	57 Å²	57	8%	0.079	30%	0.296	C	S	.	.	H	α-helix	trans	-60.8	-45.6	175	-75.7	-179.7	155.6	0	0	111.7	V475 R476 T482 Q483 S510 R517	V475-E479 HydrophobicContact CG1-CG 4.4Å; V475-E479 WeakPolarHBondContact O-CB 3.34Å; V475-E479 VanDerWaalsContact O-CG 3.28Å; V475-E479 WeakPolarHBondContact O-CG 3.36Å; V475-E479 PolarHBondContact O-N 3.3Å; R476-E479 PolarHBondContact O-N 3.15Å; E479-T482 WeakPolarHBondContact O-CB 3.47Å; E479-T482 PolarHBondContact O-N 2.9Å; E479-Q483 WeakPolarHBondContact O-CG 3.45Å; E479-Q483 PolarHBondContact O-N 2.81Å; E479-S510 PolarHBondContact OE1-OG 3.49Å; E479-R517 IonicContact OE1-CZ 3.73Å; E479-R517 IonicContact OE1-NH1 3.65Å; E479-R517 IonicContact OE1-NH2 2.83Å; E479-R517 PolarHBondContact OE1-NH2 2.92Å; E479-R517 IonicContact OE2-CZ 3.29Å; E479-R517 VanDerWaalsContact OE2-CZ 3.29Å; E479-R517 IonicContact OE2-NH1 2.82Å; E479-R517 PolarHBondContact OE2-NH1 2.97Å; E479-R517 IonicContact OE2-NH2 2.92Å; E479-R517 PolarHBondContact OE2-NH2 2.89Å
480	E	94.7	Very high	91.5	Very high	103 Å²	103	55 Å²	55	48%	0.481	29%	0.285	S	S	.	.	H	α-helix	trans	-62.5	-44.5	175.5	-73	179.4	-162.2	0	0	111.6	R476 T482 Q483 Q484	R476-E480 WeakPolarHBondContact O-CG 3.33Å; R476-E480 PolarHBondContact O-N 3.36Å; E480-T482 VanDerWaalsContact C-N 3.28Å; E480-T482 PolarHBondContact O-N 2.56Å; E480-Q483 PolarHBondContact O-N 3.36Å; E480-Q484 WeakPolarHBondContact O-CG 3.43Å; E480-Q484 PolarHBondContact O-N 2.75Å
481	A	95.4	Very high	91.8	Very high	4 Å²	4	54.8 Å²	54.8	3%	0.033	28%	0.284	C	S	.	.	H	α-helix	trans	-61.6	-37.6	175.8	0	0	0	0	0	112.2	I394 K452 E477 V478 Q484	I394-A481 HydrophobicContact CD1-CB 3.76Å; K452-A481 HydrophobicContact CD-CB 4.02Å; E477-A481 WeakPolarHBondContact O-CB 3.47Å; E477-A481 PolarHBondContact O-N 2.87Å; V478-A481 PolarHBondContact O-N 3.32Å; A481-Q484 WeakPolarHBondContact O-CB 3.44Å; A481-Q484 PolarHBondContact O-N 3.22Å
482	T	93.8	Very high	92.1	Very high	32 Å²	32	54.9 Å²	54.9	20%	0.196	29%	0.285	C	S	.	.	H	α-helix	trans	-66.9	-42.8	178.2	-55.3	0	0	0	0	111.2	V478 E479 E480 Q484 E485 C489 I492	V478-T482 WeakPolarHBondContact O-CB 3.38Å; V478-T482 PolarHBondContact O-N 2.95Å; V478-T482 PolarHBondContact O-OG1 3.05Å; E479-T482 WeakPolarHBondContact O-CB 3.47Å; E479-T482 PolarHBondContact O-N 2.9Å; E480-T482 VanDerWaalsContact C-N 3.28Å; E480-T482 PolarHBondContact O-N 2.56Å; T482-Q484 PolarHBondContact O-N 3.16Å; T482-E485 PolarHBondContact O-N 2.61Å; T482-E485 VanDerWaalsContact O-N 3.11Å; T482-C489 HydrophobicContact CG2-CB 4.14Å; T482-I492 HydrophobicContact CG2-CD1 4.05Å; T482-I492 VanDerWaalsContact OG1-CD1 3.23Å; T482-I492 WeakPolarHBondContact OG1-CD1 3.26Å
483	Q	91	Very high	92.4	Very high	145 Å²	145	54.8 Å²	54.8	68%	0.678	28%	0.284	S	S	*	.	H	α-helix	trans	-61.8	-31.5	177.4	-71.1	169	18	0	0	112.5	E479 E480 E485 G486	E479-Q483 WeakPolarHBondContact O-CG 3.45Å; E479-Q483 PolarHBondContact O-N 2.81Å; E480-Q483 PolarHBondContact O-N 3.36Å; Q483-E485 VanDerWaalsContact C-N 3.32Å; Q483-G486 PolarHBondContact O-N 3.24Å
484	Q	92	Very high	92.7	Very high	142 Å²	142	50.6 Å²	50.6	66%	0.664	27%	0.265	S	S	*	.	H	α-helix	trans	-69.7	-25.7	176.4	-68.2	170.3	3.7	0	0	113.5	E480 A481 T482 G486	E480-Q484 WeakPolarHBondContact O-CG 3.43Å; E480-Q484 PolarHBondContact O-N 2.75Å; A481-Q484 WeakPolarHBondContact O-CB 3.44Å; A481-Q484 PolarHBondContact O-N 3.22Å; T482-Q484 PolarHBondContact O-N 3.16Å; Q484-G486 VanDerWaalsContact C-N 3.29Å
485	E	90.5	Very high	92.8	Very high	87 Å²	87	50.6 Å²	50.6	41%	0.407	27%	0.265	S	S	.	.	H	α-helix	trans	-74.9	-20.3	177.9	-55	-55.7	137	0	0	112.2	P393 K452 T482 Q483 C489	P393-E485 HydrophobicContact CB-CG 3.97Å; P393-E485 HydrophobicContact CG-CG 4.15Å; K452-E485 IonicContact NZ-OE1 3.7Å; K452-E485 PolarHBondContact NZ-OE1 2.71Å; T482-E485 PolarHBondContact O-N 2.61Å; T482-E485 VanDerWaalsContact O-N 3.11Å; Q483-E485 VanDerWaalsContact C-N 3.32Å; E485-C489 HydrophobicContact CB-CB 4.38Å
486	G	84.3	Confident	92.8	Very high	29 Å²	29	50.9 Å²	50.9	30%	0.299	27%	0.267	S	S	.	.			trans	100.1	-173.5	174.1	0	0	0	0	0	115.4	Q483 Q484 H488 C489	Q483-G486 PolarHBondContact O-N 3.24Å; Q484-G486 VanDerWaalsContact C-N 3.29Å; G486-H488 VanDerWaalsContact C-N 3.26Å; G486-H488 PolarHBondContact O-N 2.62Å; G486-H488 VanDerWaalsContact O-N 3.15Å; G486-C489 PolarHBondContact O-N 3.32Å
487	P	72.6	Confident	92.8	Very high	121 Å²	121	48.4 Å²	48.4	79%	0.786	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-6.9	-164.8	25.7	-33.4	0	0	0	116.2
488	H	76.9	Confident	92.8	Very high	183 Å²	183	46.5 Å²	46.5	85%	0.847	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.1	54.1	176.6	-63.4	-47.2	0	0	0	109.8	G486 A490	G486-H488 VanDerWaalsContact C-N 3.26Å; G486-H488 PolarHBondContact O-N 2.62Å; G486-H488 VanDerWaalsContact O-N 3.15Å; H488-A490 PolarHBondContact O-N 3.22Å
489	C	89.3	Confident	92.8	Very high	42 Å²	42	46.3 Å²	46.3	28%	0.284	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-61	129.1	177.5	-173.3	0	0	0	0	109.8	T482 E485 G486	T482-C489 HydrophobicContact CG2-CB 4.14Å; E485-C489 HydrophobicContact CB-CB 4.38Å; G486-C489 PolarHBondContact O-N 3.32Å
490	A	96.4	Very high	93.1	Very high	26 Å²	26	45.5 Å²	45.5	22%	0.215	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-64.4	161.9	170.9	0	0	0	0	0	111.3	E390 H391 H488 I492	E390-A490 WeakPolarHBondContact O-CB 3.42Å; H391-A490 HydrophobicContact CB-CB 4.14Å; H391-A490 WeakPolarHBondContact O-CB 3.45Å; H488-A490 PolarHBondContact O-N 3.22Å; A490-I492 PolarHBondContact O-N 3.23Å
491	P	98.1	Very high	93.1	Very high	12 Å²	12	40.8 Å²	40.8	8%	0.078	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-60.4	134.1	-173	-19	28.5	0	0	0	112.6	Y358 K367 V368 I370 T392	Y358-P491 HydrophobicContact CE1-CG 4.39Å; K367-P491 HydrophobicContact CB-CG 4.18Å; K367-P491 WeakPolarHBondContact O-CA 3.35Å; K367-P491 VanDerWaalsContact O-CB 3.23Å; K367-P491 WeakPolarHBondContact O-CB 3.45Å; K367-P491 VanDerWaalsContact O-CG 3.25Å; K367-P491 WeakPolarHBondContact O-CG 3.47Å; V368-P491 WeakPolarHBondContact O-CA 3.44Å; I370-P491 HydrophobicContact CD1-CB 3.79Å; I370-P491 HydrophobicContact CD1-CG 4.23Å; I370-P491 HydrophobicContact CG1-CB 3.77Å; T392-P491 WeakPolarHBondContact CG2-O 3.45Å; T392-P491 PolarHBondContact OG1-O 3.35Å; T392-P491 VanDerWaalsContact OG1-O 3.12Å
492	I	98.7	Very high	93.1	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.015	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	123.1	173.7	-58.7	168.1	0	0	0	108.9	V368 Y369 I370 I394 V396 V478 T482 A490 V494	V368-I492 PolarHBondContact O-N 3.4Å; Y369-I492 CarbonylContact C-O 3.58Å; Y369-I492 WeakPolarHBondContact CA-O 3.32Å; Y369-I492 WeakPolarHBondContact CB-O 3.3Å; Y369-I492 HydrophobicContact CD1-CB 3.93Å; Y369-I492 HydrophobicContact CD1-CD1 4.36Å; Y369-I492 HydrophobicContact CD1-CG2 4.38Å; Y369-I492 HydrophobicContact CE1-CB 4.5Å; Y369-I492 HydrophobicContact CE1-CD1 4.1Å; I370-I492 PolarHBondContact N-O 2.85Å; I394-I492 HydrophobicContact CB-CG1 4.34Å; I394-I492 HydrophobicContact CB-CG2 4.05Å; I394-I492 HydrophobicContact CG2-CG2 4.03Å; V396-I492 HydrophobicContact CG2-CG2 4.1Å; V478-I492 HydrophobicContact CG1-CD1 4.19Å; T482-I492 HydrophobicContact CG2-CD1 4.05Å; T482-I492 VanDerWaalsContact OG1-CD1 3.23Å; T482-I492 WeakPolarHBondContact OG1-CD1 3.26Å; A490-I492 PolarHBondContact O-N 3.23Å; I492-V494 HydrophobicContact CG2-CG2 4.15Å
493	I	98.9	Very high	93.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	125.4	175.8	-72.4	168.2	0	0	0	109	I370 T372 F383 M386 V387 T392 I394 I395 V396	I370-I493 HydrophobicContact CB-CG1 3.94Å; I370-I493 HydrophobicContact CD1-CG1 4.29Å; I370-I493 HydrophobicContact CG2-CG1 4.22Å; I370-I493 WeakPolarHBondContact O-CA 3.39Å; T372-I493 HydrophobicContact CG2-CG2 3.82Å; F383-I493 HydrophobicContact CE2-CG2 3.98Å; F383-I493 HydrophobicContact CZ-CG2 4.11Å; M386-I493 HydrophobicContact CE-CD1 3.75Å; M386-I493 HydrophobicContact CE-CG1 4.26Å; M386-I493 HydrophobicContact CG-CD1 4.49Å; V387-I493 HydrophobicContact CB-CD1 4.39Å; V387-I493 HydrophobicContact CG2-CD1 3.58Å; T392-I493 HydrophobicContact CG2-CB 4.01Å; T392-I493 HydrophobicContact CG2-CD1 3.72Å; T392-I493 HydrophobicContact CG2-CG1 3.73Å; T392-I493 WeakPolarHBondContact OG1-CD1 3.05Å; I394-I493 PolarHBondContact O-N 3.29Å; I395-I493 CarbonylContact C-O 3.48Å; I395-I493 WeakPolarHBondContact CA-O 3.47Å; I395-I493 HydrophobicContact CG1-CB 4.17Å; I395-I493 HydrophobicContact CG1-CG2 4.49Å; I395-I493 HydrophobicContact CG2-CG2 4.31Å; V396-I493 PolarHBondContact N-O 3.43Å
494	V	98.9	Very high	93.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	126.1	174.3	-171.1	0	0	0	0	108.9	Y369 I370 A371 T372 V396 I398 I492 T503 F506 I507	Y369-V494 HydrophobicContact CD1-CG2 4.11Å; I370-V494 PolarHBondContact O-N 3.44Å; A371-V494 WeakPolarHBondContact CA-O 3.37Å; T372-V494 PolarHBondContact N-O 3.18Å; V396-V494 HydrophobicContact CB-CG1 4.23Å; V396-V494 HydrophobicContact CB-CG2 4.26Å; V396-V494 HydrophobicContact CG1-CG1 4.47Å; V396-V494 WeakPolarHBondContact O-CA 3.39Å; I398-V494 HydrophobicContact CD1-CG1 4.06Å; I492-V494 HydrophobicContact CG2-CG2 4.15Å; V494-T503 HydrophobicContact CB-CG2 3.99Å; V494-T503 HydrophobicContact CG1-CG2 3.82Å; V494-T503 WeakPolarHBondContact O-CG2 3.33Å; V494-F506 HydrophobicContact CG1-CB 4.44Å; V494-F506 HydrophobicContact CG1-CD1 3.73Å; V494-F506 HydrophobicContact CG1-CE1 4.41Å; V494-F506 HydrophobicContact CG1-CG 4.32Å; V494-F506 HydrophobicContact CG2-CD1 3.94Å; V494-F506 HydrophobicContact CG2-CE1 3.96Å; V494-I507 HydrophobicContact CB-CD1 4.15Å; V494-I507 HydrophobicContact CB-CG1 4.3Å; V494-I507 HydrophobicContact CG1-CG1 4.41Å; V494-I507 HydrophobicContact CG2-CD1 4.18Å; V494-I507 HydrophobicContact CG2-CG1 4.04Å
495	H	98.7	Very high	94	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	154.2	179.7	83.5	87.8	0	0	0	113	T372 V396 M397 I398 Y411	T372-H495 HydrophobicContact CG2-CB 3.63Å; T372-H495 WeakPolarHBondContact O-CA 3.25Å; T372-H495 WeakPolarHBondContact O-CB 3.44Å; V396-H495 PolarHBondContact O-N 3.26Å; M397-H495 WeakPolarHBondContact CB-NE2 3.37Å; M397-H495 VanDerWaalsContact CG-CE1 3.43Å; M397-H495 WeakPolarHBondContact CG-CE1 3.34Å; I398-H495 PolarHBondContact N-O 3.13Å; Y411-H495 AromaticContact CE1-CE1 3.67Å; Y411-H495 AromaticContact CE1-NE2 3.41Å; Y411-H495 WeakPolarHBondContact CE1-NE2 3.48Å; Y411-H495 AromaticContact CZ-NE2 3.48Å; Y411-H495 PolarHBondContact OH-NE2 3.28Å
496	C	95.8	Very high	94.4	Very high	6 Å²	6	22.3 Å²	22.3	4%	0.041	14%	0.136	C	C	.	.			trans	-129.7	-133.1	166.7	64.9	0	0	0	0	107.9	G374 G499 R502 T503	G374-C496 WeakPolarHBondContact CA-O 3.45Å; G374-C496 PolarHBondContact N-O 2.71Å; C496-G499 PolarHBondContact SG-N 2.88Å; C496-R502 HydrophobicContact CB-CB 3.94Å; C496-R502 HydrophobicContact CB-CG 4.43Å; C496-T503 PolarHBondContact N-OG1 2.84Å; C496-T503 PolarHBondContact SG-OG1 3.34Å; C496-T503 VanDerWaalsContact SG-OG1 3.35Å
497	S	95.6	Very high	95.1	Very high	10 Å²	10	21 Å²	21	7%	0.07	12%	0.121	C	C	.	.	S	Bend	trans	-83.3	-61.1	171.3	-167.3	0	0	0	0	111.8	R327 Y328 Q373 G374 K407	R327-S497 WeakPolarHBondContact CD-OG 3.34Å; Y328-S497 PolarHBondContact OH-OG 3.4Å; Y328-S497 VanDerWaalsContact OH-OG 3.13Å; Q373-S497 WeakPolarHBondContact CA-O 3.44Å; Q373-S497 WeakPolarHBondContact CB-O 3.22Å; G374-S497 PolarHBondContact N-O 3.13Å; K407-S497 WeakPolarHBondContact CA-OG 3.34Å; K407-S497 WeakPolarHBondContact O-CA 3.09Å; K407-S497 WeakPolarHBondContact O-CB 3.5Å; K407-S497 PolarHBondContact O-OG 2.85Å
498	A	96.6	Very high	96.3	Very high	10 Å²	10	15.2 Å²	15.2	8%	0.083	8%	0.084	C	C	.	.	S	Bend	trans	-85.9	-15.4	178.5	0	0	0	0	0	114.3	Y328 I331 I500 R535	Y328-A498 HydrophobicContact CD2-CB 3.7Å; Y328-A498 HydrophobicContact CE2-CB 3.63Å; I331-A498 HydrophobicContact CD1-CB 3.6Å; A498-I500 HydrophobicContact CB-CG1 4.03Å; A498-R535 PolarHBondContact O-NH2 3.27Å
499	G	97.6	Very high	97.3	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.044	C	C	.	.	S	Bend	trans	73.2	27	-177.9	0	0	0	0	0	114.8	T372 C496 R535	T372-G499 WeakPolarHBondContact O-CA 3.49Å; C496-G499 PolarHBondContact SG-N 2.88Å; G499-R535 PolarHBondContact O-NE 2.94Å
500	I	98.3	Very high	97.8	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.031	C	C	.	.	S	Bend	trans	-134.5	-44.7	-178.8	62	170.6	0	0	0	114.2	F311 I331 A498 G504 R535 G536 M538 I539 Q540	F311-I500 HydrophobicContact CE1-CD1 4.02Å; F311-I500 HydrophobicContact CZ-CD1 4.27Å; I331-I500 HydrophobicContact CD1-CD1 3.74Å; I331-I500 HydrophobicContact CD1-CG1 4.44Å; I331-I500 HydrophobicContact CG1-CD1 4.2Å; I331-I500 HydrophobicContact CG2-CD1 4.05Å; I331-I500 HydrophobicContact CG2-CG1 4.49Å; I331-I500 HydrophobicContact CG2-CG2 3.95Å; A498-I500 HydrophobicContact CB-CG1 4.03Å; I500-G504 WeakPolarHBondContact O-CA 3.27Å; I500-G504 PolarHBondContact O-N 3.45Å; I500-R535 HydrophobicContact CG2-CG 4.15Å; I500-G536 WeakPolarHBondContact CG2-O 3.42Å; I500-M538 HydrophobicContact CB-SD 4.43Å; I500-M538 WeakPolarHBondContact O-CA 3.4Å; I500-I539 PolarHBondContact O-N 3.37Å; I500-Q540 HydrophobicContact CD1-CG 4.38Å
501	G	96.3	Very high	97.9	Very high	4 Å²	4	3.7 Å²	3.7	4%	0.041	2%	0.023	C	C	.	.	H	α-helix	trans	-72.3	-82.7	-176.2	0	0	0	0	0	112.9	T503 G504 C505 Q544	G501-T503 VanDerWaalsContact C-N 3.28Å; G501-T503 PolarHBondContact O-N 3.4Å; G501-G504 WeakPolarHBondContact O-CA 3.13Å; G501-G504 PolarHBondContact O-N 2.93Å; G501-C505 PolarHBondContact O-N 3.5Å; G501-C505 PolarHBondContact O-SG 3.26Å; G501-C505 VanDerWaalsContact O-SG 3.37Å; G501-Q544 VanDerWaalsContact CA-OE1 3.3Å
502	R	95.8	Very high	97.9	Very high	22 Å²	22	3.1 Å²	3.1	8%	0.083	2%	0.019	C	C	.	.	H	α-helix	trans	-59.5	-38.3	179.3	-50.1	176.8	-165.4	170.4	7.6	112.5	I398 T399 E403 W459 D461 C496 G504 C505 F506	I398-R502 HydrophobicContact CB-CB 4.29Å; I398-R502 HydrophobicContact CG2-CB 4.04Å; I398-R502 WeakPolarHBondContact O-CD 3.11Å; I398-R502 PolarHBondContact O-NH1 2.87Å; T399-R502 PolarHBondContact OG1-NH1 3Å; E403-R502 VanDerWaalsContact CD-NH2 3.33Å; E403-R502 IonicContact OE1-CZ 3.24Å; E403-R502 IonicContact OE1-NH1 2.8Å; E403-R502 PolarHBondContact OE1-NH1 2.88Å; E403-R502 IonicContact OE1-NH2 3.15Å; E403-R502 PolarHBondContact OE1-NH2 3.28Å; E403-R502 IonicContact OE2-CZ 3.98Å; E403-R502 IonicContact OE2-NH1 2.85Å; E403-R502 IonicContact OE2-NH2 2.86Å; E403-R502 PolarHBondContact OE2-NH2 3.06Å; W459-R502 HydrophobicContact CD2-CB 4.27Å; W459-R502 HydrophobicContact CD2-CG 3.96Å; W459-R502 HydrophobicContact CE3-CB 4.42Å; W459-R502 HydrophobicContact CG-CG 4.26Å; W459-R502 HydrophobicContact CH2-CB 4.43Å; W459-R502 HydrophobicContact CZ2-CB 4.26Å; W459-R502 HydrophobicContact CZ2-CG 3.97Å; W459-R502 HydrophobicContact CZ3-CB 4.48Å; D461-R502 IonicContact OD1-NH2 3.63Å; C496-R502 HydrophobicContact CB-CB 3.94Å; C496-R502 HydrophobicContact CB-CG 4.43Å; R502-G504 VanDerWaalsContact C-N 3.35Å; R502-C505 PolarHBondContact O-N 3.39Å; R502-F506 PolarHBondContact O-N 2.78Å
503	T	98.4	Very high	97.9	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-55.8	-48.2	171.6	-60	0	0	0	0	111.3	A371 V494 C496 G501 F506 I507 M538	A371-T503 HydrophobicContact CB-CG2 3.7Å; V494-T503 HydrophobicContact CB-CG2 3.99Å; V494-T503 HydrophobicContact CG1-CG2 3.82Å; V494-T503 WeakPolarHBondContact O-CG2 3.33Å; C496-T503 PolarHBondContact N-OG1 2.84Å; C496-T503 PolarHBondContact SG-OG1 3.34Å; C496-T503 VanDerWaalsContact SG-OG1 3.35Å; G501-T503 VanDerWaalsContact C-N 3.28Å; G501-T503 PolarHBondContact O-N 3.4Å; T503-F506 PolarHBondContact O-N 3.13Å; T503-I507 HydrophobicContact CG2-CD1 4.02Å; T503-I507 WeakPolarHBondContact O-CG1 3.43Å; T503-I507 PolarHBondContact O-N 3.19Å; T503-I507 VanDerWaalsContact O-N 3.09Å; T503-M538 HydrophobicContact CG2-CE 4.34Å
504	G	98.4	Very high	97.8	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-62.2	-42.1	176	0	0	0	0	0	112.9	I500 G501 R502 F506 A508 M538	I500-G504 WeakPolarHBondContact O-CA 3.27Å; I500-G504 PolarHBondContact O-N 3.45Å; G501-G504 WeakPolarHBondContact O-CA 3.13Å; G501-G504 PolarHBondContact O-N 2.93Å; R502-G504 VanDerWaalsContact C-N 3.35Å; G504-F506 PolarHBondContact O-N 3.16Å; G504-A508 WeakPolarHBondContact O-CB 3.32Å; G504-A508 PolarHBondContact O-N 3.14Å; G504-M538 VanDerWaalsContact CA-CE 3.47Å
505	C	97.9	Very high	97.7	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-60.1	-46.6	176.6	-60.6	0	0	0	0	112.5	W459 G501 R502 T509 Q544 V548	W459-C505 HydrophobicContact CH2-CB 3.62Å; W459-C505 HydrophobicContact CZ2-CB 4.5Å; W459-C505 HydrophobicContact CZ3-CB 4.34Å; G501-C505 PolarHBondContact O-N 3.5Å; G501-C505 PolarHBondContact O-SG 3.26Å; G501-C505 VanDerWaalsContact O-SG 3.37Å; R502-C505 PolarHBondContact O-N 3.39Å; C505-T509 VanDerWaalsContact O-CB 3.28Å; C505-T509 WeakPolarHBondContact O-CB 3.47Å; C505-T509 PolarHBondContact O-N 3.09Å; C505-T509 PolarHBondContact O-OG1 3.24Å; C505-Q544 VanDerWaalsContact SG-CB 3.56Å; C505-V548 HydrophobicContact CB-CG2 4.05Å
506	F	98.4	Very high	97.6	Very high	1 Å²	1	6.3 Å²	6.3	0%	0.004	3%	0.034	C	C	.	.	H	α-helix	trans	-61.9	-51.2	179	175.8	-92.1	0	0	0	112.3	V396 I398 L471 L474 V475 V478 V494 R502 T503 G504 A508 T509 S510	V396-F506 HydrophobicContact CB-CE1 4.4Å; V396-F506 HydrophobicContact CB-CZ 4.46Å; V396-F506 HydrophobicContact CG1-CD1 4.47Å; V396-F506 HydrophobicContact CG1-CD2 4.31Å; V396-F506 HydrophobicContact CG1-CE1 4.19Å; V396-F506 HydrophobicContact CG1-CE2 4.03Å; V396-F506 HydrophobicContact CG1-CZ 3.97Å; V396-F506 HydrophobicContact CG2-CE1 4.15Å; V396-F506 HydrophobicContact CG2-CZ 4.02Å; I398-F506 HydrophobicContact CD1-CB 3.27Å; I398-F506 HydrophobicContact CD1-CD1 4.36Å; I398-F506 HydrophobicContact CD1-CD2 3.84Å; I398-F506 HydrophobicContact CD1-CG 3.56Å; L471-F506 HydrophobicContact CD1-CB 4.47Å; L471-F506 HydrophobicContact CD1-CD2 3.89Å; L474-F506 HydrophobicContact CD2-CD2 4.05Å; L474-F506 HydrophobicContact CD2-CE2 3.84Å; L474-F506 HydrophobicContact CG-CE2 3.94Å; V475-F506 HydrophobicContact CB-CE2 4.48Å; V475-F506 HydrophobicContact CG2-CD2 3.81Å; V475-F506 HydrophobicContact CG2-CE2 3.63Å; V475-F506 HydrophobicContact CG2-CZ 4.39Å; V478-F506 HydrophobicContact CB-CZ 4.08Å; V478-F506 HydrophobicContact CG1-CZ 4.09Å; V478-F506 HydrophobicContact CG2-CZ 4.01Å; V494-F506 HydrophobicContact CG1-CB 4.44Å; V494-F506 HydrophobicContact CG1-CD1 3.73Å; V494-F506 HydrophobicContact CG1-CE1 4.41Å; V494-F506 HydrophobicContact CG1-CG 4.32Å; V494-F506 HydrophobicContact CG2-CD1 3.94Å; V494-F506 HydrophobicContact CG2-CE1 3.96Å; R502-F506 PolarHBondContact O-N 2.78Å; T503-F506 PolarHBondContact O-N 3.13Å; G504-F506 PolarHBondContact O-N 3.16Å; F506-A508 PolarHBondContact O-N 3.27Å; F506-T509 PolarHBondContact O-N 3.11Å; F506-S510 PolarHBondContact O-N 2.7Å
507	I	98.8	Very high	97.6	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-64.1	-44.5	-179	-62.7	175.5	0	0	0	110.4	I359 Y369 A371 V494 T503 T509 S510 I511 L531 M538	I359-I507 HydrophobicContact CG1-CD1 4.37Å; I359-I507 HydrophobicContact CG2-CD1 4.41Å; I359-I507 HydrophobicContact CG2-CG2 4.12Å; Y369-I507 HydrophobicContact CD1-CG1 4.3Å; Y369-I507 HydrophobicContact CD2-CG2 3.71Å; Y369-I507 HydrophobicContact CE2-CG2 3.79Å; Y369-I507 HydrophobicContact CG-CD1 4.15Å; Y369-I507 HydrophobicContact CG-CG1 4.22Å; Y369-I507 HydrophobicContact CG-CG2 4.22Å; A371-I507 HydrophobicContact CB-CD1 4.39Å; V494-I507 HydrophobicContact CB-CD1 4.15Å; V494-I507 HydrophobicContact CB-CG1 4.3Å; V494-I507 HydrophobicContact CG1-CG1 4.41Å; V494-I507 HydrophobicContact CG2-CD1 4.18Å; V494-I507 HydrophobicContact CG2-CG1 4.04Å; T503-I507 HydrophobicContact CG2-CD1 4.02Å; T503-I507 WeakPolarHBondContact O-CG1 3.43Å; T503-I507 PolarHBondContact O-N 3.19Å; T503-I507 VanDerWaalsContact O-N 3.09Å; I507-T509 VanDerWaalsContact C-N 3.29Å; I507-T509 PolarHBondContact O-N 2.85Å; I507-S510 PolarHBondContact O-N 3.28Å; I507-I511 HydrophobicContact CG2-CD1 3.82Å; I507-I511 HydrophobicContact CG2-CG1 4.38Å; I507-I511 WeakPolarHBondContact O-CG1 3.44Å; I507-I511 PolarHBondContact O-N 3.19Å; I507-L531 HydrophobicContact CB-CD2 4.38Å; I507-L531 HydrophobicContact CG2-CD2 3.61Å; I507-M538 HydrophobicContact CD1-CE 3.95Å
508	A	98.8	Very high	97.6	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-59.3	-42.4	176.7	0	0	0	0	0	111.8	G504 F506 I511 C512 T527 L531 I539 V548	G504-A508 WeakPolarHBondContact O-CB 3.32Å; G504-A508 PolarHBondContact O-N 3.14Å; F506-A508 PolarHBondContact O-N 3.27Å; A508-I511 PolarHBondContact O-N 2.9Å; A508-C512 VanDerWaalsContact O-CB 3.3Å; A508-C512 WeakPolarHBondContact O-CB 3.42Å; A508-C512 PolarHBondContact O-N 3.44Å; A508-C512 PolarHBondContact O-SG 3.38Å; A508-T527 HydrophobicContact CB-CG2 4.13Å; A508-L531 HydrophobicContact CB-CD1 3.71Å; A508-I539 HydrophobicContact CB-CD1 3.87Å; A508-V548 HydrophobicContact CB-CG1 4.39Å
509	T	98.5	Very high	97.6	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-63.2	-46.5	178.1	-57.8	0	0	0	0	110.4	V475 C505 F506 I507 C512 C513 V551 M552	V475-T509 HydrophobicContact CG2-CG2 3.97Å; C505-T509 VanDerWaalsContact O-CB 3.28Å; C505-T509 WeakPolarHBondContact O-CB 3.47Å; C505-T509 PolarHBondContact O-N 3.09Å; C505-T509 PolarHBondContact O-OG1 3.24Å; F506-T509 PolarHBondContact O-N 3.11Å; I507-T509 VanDerWaalsContact C-N 3.29Å; I507-T509 PolarHBondContact O-N 2.85Å; T509-C512 PolarHBondContact O-N 2.96Å; T509-C513 WeakPolarHBondContact O-CB 3.42Å; T509-C513 PolarHBondContact O-N 2.9Å; T509-C513 PolarHBondContact O-SG 3.28Å; T509-V551 HydrophobicContact CG2-CB 4.48Å; T509-V551 HydrophobicContact CG2-CG1 3.51Å; T509-M552 HydrophobicContact CG2-SD 4.2Å
510	S	98.4	Very high	97.6	Very high	4 Å²	4	22 Å²	22	3%	0.028	11%	0.111	C	C	.	.	H	α-helix	trans	-61.4	-45.9	177.6	-178.3	0	0	0	0	112.5	Y369 E479 F506 I507 C512 C513 Q514	Y369-S510 PolarHBondContact OH-OG 3.31Å; Y369-S510 VanDerWaalsContact OH-OG 3.1Å; E479-S510 PolarHBondContact OE1-OG 3.49Å; F506-S510 PolarHBondContact O-N 2.7Å; I507-S510 PolarHBondContact O-N 3.28Å; S510-C512 PolarHBondContact O-N 2.97Å; S510-C513 PolarHBondContact O-N 3.48Å; S510-Q514 WeakPolarHBondContact O-CG 3.47Å; S510-Q514 PolarHBondContact O-N 3.48Å
511	I	98.6	Very high	97.5	Very high	6 Å²	6	22.8 Å²	22.8	3%	0.031	12%	0.116	C	C	.	.	H	α-helix	trans	-60.5	-46.2	176.6	-67.4	171.6	0	0	0	110.9	Y369 I507 A508 C513 Q514 Q515 T527 L531	Y369-I511 HydrophobicContact CE2-CG1 4.39Å; I507-I511 HydrophobicContact CG2-CD1 3.82Å; I507-I511 HydrophobicContact CG2-CG1 4.38Å; I507-I511 WeakPolarHBondContact O-CG1 3.44Å; I507-I511 PolarHBondContact O-N 3.19Å; A508-I511 PolarHBondContact O-N 2.9Å; I511-C513 PolarHBondContact O-N 3.45Å; I511-Q514 PolarHBondContact O-N 2.9Å; I511-Q515 PolarHBondContact O-N 3.35Å; I511-T527 HydrophobicContact CB-CG2 4Å; I511-T527 HydrophobicContact CD1-CG2 4.24Å; I511-T527 HydrophobicContact CG2-CG2 3.82Å; I511-L531 HydrophobicContact CD1-CD2 4.14Å
512	C	98.6	Very high	97.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-69.1	-33	-179.6	-65.7	0	0	0	0	112	A508 T509 S510 Q515 L516 V522 M552	A508-C512 VanDerWaalsContact O-CB 3.3Å; A508-C512 WeakPolarHBondContact O-CB 3.42Å; A508-C512 PolarHBondContact O-N 3.44Å; A508-C512 PolarHBondContact O-SG 3.38Å; T509-C512 PolarHBondContact O-N 2.96Å; S510-C512 PolarHBondContact O-N 2.97Å; C512-Q515 PolarHBondContact O-N 3.45Å; C512-L516 WeakPolarHBondContact O-CB 3.48Å; C512-L516 PolarHBondContact O-N 2.9Å; C512-V522 HydrophobicContact CB-CG1 4.3Å; C512-M552 HydrophobicContact CB-CE 3.56Å; C512-M552 HydrophobicContact CB-CG 3.89Å; C512-M552 HydrophobicContact CB-SD 3.46Å; C512-M552 WeakPolarHBondContact CB-SD 3.43Å; C512-M552 WeakPolarHBondContact O-CE 3.42Å
513	C	97.9	Very high	97.8	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.007	11%	0.11	C	C	.	.	H	α-helix	trans	-61.9	-43.4	172.2	-79.1	0	0	0	0	111.3	T509 S510 I511 R517 Y555	T509-C513 WeakPolarHBondContact O-CB 3.42Å; T509-C513 PolarHBondContact O-N 2.9Å; T509-C513 PolarHBondContact O-SG 3.28Å; S510-C513 PolarHBondContact O-N 3.48Å; I511-C513 PolarHBondContact O-N 3.45Å; C513-R517 WeakPolarHBondContact O-CG 3.25Å; C513-R517 PolarHBondContact O-N 3.25Å; C513-R517 VanDerWaalsContact O-N 3.15Å; C513-Y555 HydrophobicContact CB-CD1 4.11Å; C513-Y555 HydrophobicContact CB-CE1 3.76Å; C513-Y555 VanDerWaalsContact SG-CD1 3.51Å
514	Q	96.8	Very high	97.8	Very high	40 Å²	40	21.6 Å²	21.6	19%	0.187	11%	0.11	C	C	.	.	H	α-helix	trans	-63.6	-45.4	174	-68.5	179	42.7	0	0	111.8	Y362 S510 I511 L516 R517 Q518	Y362-Q514 HydrophobicContact CD1-CB 4.35Å; Y362-Q514 HydrophobicContact CD2-CB 4.24Å; Y362-Q514 HydrophobicContact CG-CB 3.9Å; S510-Q514 WeakPolarHBondContact O-CG 3.47Å; S510-Q514 PolarHBondContact O-N 3.48Å; I511-Q514 PolarHBondContact O-N 2.9Å; Q514-L516 PolarHBondContact O-N 3.24Å; Q514-R517 VanDerWaalsContact CG-NH2 3.25Å; Q514-R517 PolarHBondContact O-N 3.42Å; Q514-Q518 WeakPolarHBondContact O-CB 3.46Å; Q514-Q518 WeakPolarHBondContact O-CG 3.4Å; Q514-Q518 PolarHBondContact O-N 2.99Å
515	Q	98	Very high	97.8	Very high	21 Å²	21	22.2 Å²	22.2	10%	0.098	11%	0.113	C	C	.	.	H	α-helix	trans	-59.8	-47.8	178	-169.4	-179.8	18.6	0	0	111.7	Y362 I511 C512 R517 Q518 E519 V521	Y362-Q515 HydrophobicContact CD2-CB 3.92Å; Y362-Q515 VanDerWaalsContact CE2-CA 3.47Å; Y362-Q515 HydrophobicContact CE2-CB 3.65Å; Y362-Q515 HydrophobicContact CE2-CG 3.87Å; I511-Q515 PolarHBondContact O-N 3.35Å; C512-Q515 PolarHBondContact O-N 3.45Å; Q515-R517 VanDerWaalsContact C-N 3.32Å; Q515-R517 PolarHBondContact O-N 3Å; Q515-Q518 PolarHBondContact O-N 2.95Å; Q515-E519 HydrophobicContact CG-CB 4.46Å; Q515-E519 HydrophobicContact CG-CG 4.38Å; Q515-E519 PolarHBondContact NE2-OE2 3.11Å; Q515-E519 VanDerWaalsContact NE2-OE2 3.17Å; Q515-E519 WeakPolarHBondContact O-CB 3.31Å; Q515-E519 PolarHBondContact O-N 2.88Å; Q515-V521 CarbonylContact C-O 3.46Å; Q515-V521 WeakPolarHBondContact CG-O 3.34Å
516	L	97.1	Very high	97.8	Very high	7 Å²	7	27.8 Å²	27.8	4%	0.037	14%	0.138	C	C	.	.	H	α-helix	trans	-62.4	-40.3	-179.3	-168.9	66.2	0	0	0	111.9	C512 Q514 G520 V521 V522 M552 Y555 E556	C512-L516 WeakPolarHBondContact O-CB 3.48Å; C512-L516 PolarHBondContact O-N 2.9Å; Q514-L516 PolarHBondContact O-N 3.24Å; L516-G520 VanDerWaalsContact O-CA 3.24Å; L516-G520 WeakPolarHBondContact O-CA 3.46Å; L516-G520 PolarHBondContact O-N 3.49Å; L516-V521 WeakPolarHBondContact CA-O 3.43Å; L516-V521 PolarHBondContact N-O 3.36Å; L516-V522 HydrophobicContact CB-CG1 3.61Å; L516-V522 HydrophobicContact CD1-CG1 3.82Å; L516-V522 HydrophobicContact CG-CG1 4.16Å; L516-M552 HydrophobicContact CB-CE 4.4Å; L516-M552 HydrophobicContact CD2-CE 4.34Å; L516-Y555 HydrophobicContact CB-CE1 4.41Å; L516-Y555 HydrophobicContact CD2-CD1 3.71Å; L516-Y555 HydrophobicContact CD2-CE1 4.19Å; L516-E556 HydrophobicContact CD1-CG 4.37Å; L516-E556 HydrophobicContact CD2-CB 3.67Å; L516-E556 HydrophobicContact CD2-CG 4.05Å
517	R	95.3	Very high	97.9	Very high	91 Å²	91	28.1 Å²	28.1	34%	0.343	14%	0.14	S	C	.	.	H	α-helix	trans	-65.5	-37.5	176.6	-76.1	-171.7	-64	-100.8	6.5	113.2	E479 C513 Q514 Q515 Y555 L559	E479-R517 IonicContact OE1-CZ 3.73Å; E479-R517 IonicContact OE1-NH1 3.65Å; E479-R517 IonicContact OE1-NH2 2.83Å; E479-R517 PolarHBondContact OE1-NH2 2.92Å; E479-R517 IonicContact OE2-CZ 3.29Å; E479-R517 VanDerWaalsContact OE2-CZ 3.29Å; E479-R517 IonicContact OE2-NH1 2.82Å; E479-R517 PolarHBondContact OE2-NH1 2.97Å; E479-R517 IonicContact OE2-NH2 2.92Å; E479-R517 PolarHBondContact OE2-NH2 2.89Å; C513-R517 WeakPolarHBondContact O-CG 3.25Å; C513-R517 PolarHBondContact O-N 3.25Å; C513-R517 VanDerWaalsContact O-N 3.15Å; Q514-R517 VanDerWaalsContact CG-NH2 3.25Å; Q514-R517 PolarHBondContact O-N 3.42Å; Q515-R517 VanDerWaalsContact C-N 3.32Å; Q515-R517 PolarHBondContact O-N 3Å; R517-Y555 WeakPolarHBondContact CD-OH 3.38Å; R517-Y555 HydrophobicContact CG-CE1 4.18Å; R517-Y555 WeakPolarHBondContact CG-OH 3.28Å; R517-Y555 PolarHBondContact NH1-OH 2.8Å; R517-L559 HydrophobicContact CG-CD1 3.95Å
518	Q	95.8	Very high	97.9	Very high	124 Å²	124	28.1 Å²	28.1	58%	0.579	14%	0.14	S	C	*	.	H	α-helix	trans	-89.8	-36.3	-172.5	-68.3	-176	52.2	0	0	113	Y362 Q514 Q515	Y362-Q518 HydrophobicContact CE1-CG 4.49Å; Y362-Q518 VanDerWaalsContact CE1-NE2 3.27Å; Q514-Q518 WeakPolarHBondContact O-CB 3.46Å; Q514-Q518 WeakPolarHBondContact O-CG 3.4Å; Q514-Q518 PolarHBondContact O-N 2.99Å; Q515-Q518 PolarHBondContact O-N 2.95Å
519	E	96.9	Very high	97.9	Very high	98 Å²	98	28.2 Å²	28.2	46%	0.458	14%	0.14	S	C	.	.	H	α-helix	trans	-113.2	-13.9	-171.6	-59.1	173.7	-152.9	0	0	113.1	Y362 Q515 V521	Y362-E519 WeakPolarHBondContact CE2-OE1 3.45Å; Y362-E519 PolarHBondContact OH-OE1 3.09Å; Q515-E519 HydrophobicContact CG-CB 4.46Å; Q515-E519 HydrophobicContact CG-CG 4.38Å; Q515-E519 PolarHBondContact NE2-OE2 3.11Å; Q515-E519 VanDerWaalsContact NE2-OE2 3.17Å; Q515-E519 WeakPolarHBondContact O-CB 3.31Å; Q515-E519 PolarHBondContact O-N 2.88Å; E519-V521 HydrophobicContact CB-CG2 3.77Å; E519-V521 PolarHBondContact O-N 3.35Å
520	G	96.3	Very high	97.9	Very high	42 Å²	42	29.6 Å²	29.6	43%	0.433	15%	0.147	S	C	.	.	S	Bend	trans	71.1	7.4	-174.2	0	0	0	0	0	114.3	L516	L516-G520 VanDerWaalsContact O-CA 3.24Å; L516-G520 WeakPolarHBondContact O-CA 3.46Å; L516-G520 PolarHBondContact O-N 3.49Å
521	V	97.8	Very high	97.9	Very high	17 Å²	17	29.4 Å²	29.4	10%	0.103	15%	0.146	C	C	.	.			trans	-134.2	165.4	179.9	-62.8	0	0	0	0	110.6	V284 L285 Q515 L516 E519	V284-V521 HydrophobicContact CG1-CB 3.76Å; V284-V521 HydrophobicContact CG1-CG1 4.13Å; V284-V521 HydrophobicContact CG1-CG2 3.82Å; L285-V521 WeakPolarHBondContact O-CA 3.33Å; Q515-V521 CarbonylContact C-O 3.46Å; Q515-V521 WeakPolarHBondContact CG-O 3.34Å; L516-V521 WeakPolarHBondContact CA-O 3.43Å; L516-V521 PolarHBondContact N-O 3.36Å; E519-V521 HydrophobicContact CB-CG2 3.77Å; E519-V521 PolarHBondContact O-N 3.35Å
522	V	98.3	Very high	97.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-134	143.6	172.2	-68.2	0	0	0	0	111.6	L285 L290 C512 L516 I524 M552	L285-V522 HydrophobicContact CB-CG2 4.12Å; L285-V522 PolarHBondContact N-O 3.21Å; L285-V522 PolarHBondContact O-N 3.41Å; L285-V522 VanDerWaalsContact O-N 3.11Å; L290-V522 HydrophobicContact CD1-CG2 3.91Å; L290-V522 HydrophobicContact CD2-CG2 3.87Å; L290-V522 HydrophobicContact CG-CG2 4.33Å; C512-V522 HydrophobicContact CB-CG1 4.3Å; L516-V522 HydrophobicContact CB-CG1 3.61Å; L516-V522 HydrophobicContact CD1-CG1 3.82Å; L516-V522 HydrophobicContact CG-CG1 4.16Å; V522-I524 HydrophobicContact CG2-CD1 4.44Å; V522-I524 HydrophobicContact CG2-CG1 4.45Å; V522-M552 HydrophobicContact CG1-CE 3.95Å
523	D	98.6	Very high	97.9	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.011	15%	0.152	C	C	.	.			trans	-125.3	83.3	172	-167.8	-18.6	0	0	0	110.1	S282 R283 V284 L525 K526 T527	S282-D523 WeakPolarHBondContact CA-OD2 3.49Å; S282-D523 VanDerWaalsContact CB-OD2 3.3Å; S282-D523 WeakPolarHBondContact CB-OD2 3.38Å; S282-D523 PolarHBondContact OG-OD2 2.88Å; R283-D523 VanDerWaalsContact N-CG 3.32Å; R283-D523 PolarHBondContact N-OD1 3.02Å; R283-D523 PolarHBondContact N-OD2 3.03Å; V284-D523 HydrophobicContact CG2-CB 4.38Å; D523-L525 VanDerWaalsContact C-N 3.29Å; D523-L525 PolarHBondContact O-N 2.67Å; D523-L525 PolarHBondContact OD1-N 3.1Å; D523-K526 HydrophobicContact CB-CB 4.05Å; D523-K526 PolarHBondContact O-N 3.24Å; D523-K526 VanDerWaalsContact OD1-CB 3.26Å; D523-K526 WeakPolarHBondContact OD1-CB 3.45Å; D523-K526 PolarHBondContact OD1-N 2.78Å; D523-K526 VanDerWaalsContact OD2-CB 3.25Å; D523-K526 WeakPolarHBondContact OD2-CB 3.35Å; D523-T527 WeakPolarHBondContact O-CB 3.23Å; D523-T527 PolarHBondContact O-N 3.4Å; D523-T527 PolarHBondContact O-OG1 3.49Å
524	I	98.8	Very high	97.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-68.3	-32.9	-176.7	-60	166.3	0	0	0	110.6	L290 V522 T528 Y545 V548 H549 M552	L290-I524 HydrophobicContact CD1-CD1 3.98Å; V522-I524 HydrophobicContact CG2-CD1 4.44Å; V522-I524 HydrophobicContact CG2-CG1 4.45Å; I524-T528 WeakPolarHBondContact O-CB 3.19Å; I524-T528 PolarHBondContact O-N 3.41Å; I524-T528 PolarHBondContact O-OG1 3.3Å; I524-Y545 HydrophobicContact CG2-CD2 4.4Å; I524-Y545 HydrophobicContact CG2-CE2 3.78Å; I524-V548 HydrophobicContact CG2-CG1 3.87Å; I524-H549 HydrophobicContact CD1-CB 4.34Å; I524-H549 VanDerWaalsContact CD1-CD2 3.47Å; I524-H549 WeakPolarHBondContact CD1-CD2 3.38Å; I524-H549 VanDerWaalsContact CG2-CE1 3.47Å; I524-H549 WeakPolarHBondContact CG2-CE1 3.37Å; I524-M552 HydrophobicContact CD1-CB 4.15Å; I524-M552 HydrophobicContact CD1-CG 3.99Å; I524-M552 HydrophobicContact CG1-CG 4.41Å
525	L	98.8	Very high	98	Very high	12 Å²	12	29.3 Å²	29.3	6%	0.063	15%	0.145	C	C	.	.	H	α-helix	trans	-64.2	-52.6	176.3	174.3	58.2	0	0	0	110.8	A281 R283 E303 I307 D523 T527 T528 C529 Y545	A281-L525 HydrophobicContact CB-CD2 4.26Å; A281-L525 HydrophobicContact CB-CG 4.29Å; R283-L525 HydrophobicContact CB-CB 3.99Å; R283-L525 HydrophobicContact CB-CD2 3.87Å; E303-L525 HydrophobicContact CG-CD1 4.11Å; E303-L525 HydrophobicContact CG-CD2 4.3Å; I307-L525 HydrophobicContact CD1-CD1 3.62Å; I307-L525 HydrophobicContact CG1-CD1 3.71Å; D523-L525 VanDerWaalsContact C-N 3.29Å; D523-L525 PolarHBondContact O-N 2.67Å; D523-L525 PolarHBondContact OD1-N 3.1Å; L525-T527 VanDerWaalsContact C-N 3.33Å; L525-T527 PolarHBondContact O-N 3.18Å; L525-T528 PolarHBondContact O-N 2.99Å; L525-C529 PolarHBondContact O-N 2.89Å; L525-C529 PolarHBondContact O-SG 3.19Å; L525-Y545 WeakPolarHBondContact CA-OH 3.19Å
526	K	98.7	Very high	98.1	Very high	117 Å²	117	28.4 Å²	28.4	51%	0.509	14%	0.142	S	C	.	.	H	α-helix	trans	-63.1	-40.8	178.7	-173.7	177	-179.1	-178.5	0	111.7	D523 T528 C529 Q530	D523-K526 HydrophobicContact CB-CB 4.05Å; D523-K526 PolarHBondContact O-N 3.24Å; D523-K526 VanDerWaalsContact OD1-CB 3.26Å; D523-K526 WeakPolarHBondContact OD1-CB 3.45Å; D523-K526 PolarHBondContact OD1-N 2.78Å; D523-K526 VanDerWaalsContact OD2-CB 3.25Å; D523-K526 WeakPolarHBondContact OD2-CB 3.35Å; K526-T528 PolarHBondContact O-N 3.22Å; K526-C529 PolarHBondContact O-N 3.41Å; K526-Q530 PolarHBondContact O-N 3.5Å
527	T	98.8	Very high	98.1	Very high	9 Å²	9	28.1 Å²	28.1	6%	0.055	14%	0.14	C	C	.	.	H	α-helix	trans	-59.4	-47.3	174.9	-60.2	0	0	0	0	110.7	A508 I511 D523 L525 C529 Q530 L531	A508-T527 HydrophobicContact CB-CG2 4.13Å; I511-T527 HydrophobicContact CB-CG2 4Å; I511-T527 HydrophobicContact CD1-CG2 4.24Å; I511-T527 HydrophobicContact CG2-CG2 3.82Å; D523-T527 WeakPolarHBondContact O-CB 3.23Å; D523-T527 PolarHBondContact O-N 3.4Å; D523-T527 PolarHBondContact O-OG1 3.49Å; L525-T527 VanDerWaalsContact C-N 3.33Å; L525-T527 PolarHBondContact O-N 3.18Å; T527-C529 VanDerWaalsContact C-N 3.32Å; T527-C529 PolarHBondContact O-N 3.2Å; T527-Q530 WeakPolarHBondContact O-CB 3.37Å; T527-Q530 PolarHBondContact O-N 3.42Å; T527-L531 HydrophobicContact CG2-CD1 4.43Å; T527-L531 VanDerWaalsContact O-CG 3.32Å; T527-L531 WeakPolarHBondContact O-CG 3.25Å; T527-L531 PolarHBondContact O-N 2.97Å
528	T	98.8	Very high	98.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62.4	-40.4	177.5	-56.8	0	0	0	0	111.7	I307 I524 L525 K526 L531 R532 I539 Y545	I307-T528 HydrophobicContact CD1-CG2 3.91Å; I524-T528 WeakPolarHBondContact O-CB 3.19Å; I524-T528 PolarHBondContact O-N 3.41Å; I524-T528 PolarHBondContact O-OG1 3.3Å; L525-T528 PolarHBondContact O-N 2.99Å; K526-T528 PolarHBondContact O-N 3.22Å; T528-L531 PolarHBondContact O-N 3.14Å; T528-R532 WeakPolarHBondContact O-CG 3.28Å; T528-R532 PolarHBondContact O-N 2.89Å; T528-I539 HydrophobicContact CG2-CB 4.42Å; T528-I539 HydrophobicContact CG2-CD1 4.11Å; T528-Y545 HydrophobicContact CG2-CE2 4.38Å; T528-Y545 WeakPolarHBondContact OG1-CE2 3.31Å
529	C	98.8	Very high	98.4	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.007	10%	0.096	C	C	.	.	H	α-helix	trans	-63	-44.6	175.8	-67	0	0	0	0	112	L278 L525 K526 T527 L531 R532 Q533	L278-C529 HydrophobicContact CD2-CB 3.95Å; L278-C529 WeakPolarHBondContact O-CB 3.23Å; L525-C529 PolarHBondContact O-N 2.89Å; L525-C529 PolarHBondContact O-SG 3.19Å; K526-C529 PolarHBondContact O-N 3.41Å; T527-C529 VanDerWaalsContact C-N 3.32Å; T527-C529 PolarHBondContact O-N 3.2Å; C529-L531 PolarHBondContact O-N 3.44Å; C529-R532 PolarHBondContact O-N 3.44Å; C529-Q533 WeakPolarHBondContact O-CG 3.27Å; C529-Q533 PolarHBondContact O-N 3.17Å
530	Q	98.8	Very high	98.4	Very high	30 Å²	30	17.1 Å²	17.1	14%	0.14	9%	0.093	C	C	.	.	H	α-helix	trans	-57	-48.7	173.8	179.6	-178.9	-59.2	0	0	111.2	R360 G361 K526 T527 R532 Q533 D534	R360-Q530 HydrophobicContact CB-CG 4.5Å; R360-Q530 PolarHBondContact O-NE2 2.94Å; G361-Q530 PolarHBondContact O-NE2 3.42Å; K526-Q530 PolarHBondContact O-N 3.5Å; T527-Q530 WeakPolarHBondContact O-CB 3.37Å; T527-Q530 PolarHBondContact O-N 3.42Å; Q530-R532 VanDerWaalsContact C-N 3.28Å; Q530-R532 PolarHBondContact O-N 3.31Å; Q530-Q533 WeakPolarHBondContact O-CB 3.19Å; Q530-Q533 PolarHBondContact O-N 2.94Å; Q530-Q533 VanDerWaalsContact O-N 3.14Å; Q530-D534 PolarHBondContact O-N 3.49Å; Q530-D534 VanDerWaalsContact O-N 3.12Å
531	L	98.9	Very high	98.3	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-60.3	-39	178.7	-65.3	178	0	0	0	112	I359 I507 A508 I511 T527 T528 C529 D534 R535 M538	I359-L531 HydrophobicContact CG2-CD2 3.38Å; I507-L531 HydrophobicContact CB-CD2 4.38Å; I507-L531 HydrophobicContact CG2-CD2 3.61Å; A508-L531 HydrophobicContact CB-CD1 3.71Å; I511-L531 HydrophobicContact CD1-CD2 4.14Å; T527-L531 HydrophobicContact CG2-CD1 4.43Å; T527-L531 VanDerWaalsContact O-CG 3.32Å; T527-L531 WeakPolarHBondContact O-CG 3.25Å; T527-L531 PolarHBondContact O-N 2.97Å; T528-L531 PolarHBondContact O-N 3.14Å; C529-L531 PolarHBondContact O-N 3.44Å; L531-D534 PolarHBondContact O-N 2.97Å; L531-R535 PolarHBondContact O-N 2.79Å; L531-R535 VanDerWaalsContact O-O 3.1Å; L531-M538 HydrophobicContact CB-CB 3.68Å; L531-M538 HydrophobicContact CB-CE 4.29Å; L531-M538 HydrophobicContact CB-CG 4.09Å; L531-M538 HydrophobicContact CD1-CE 4.33Å; L531-M538 HydrophobicContact CD2-CE 4.17Å
532	R	98.8	Very high	98.2	Very high	1 Å²	1	16.9 Å²	16.9	0%	0.004	8%	0.083	C	C	.	.	H	α-helix	trans	-72.7	-27.5	177.5	-70.9	-167.8	-175.6	176.6	3.5	113.7	L278 F304 I307 P308 M309 N310 T528 C529 Q530 D534 R535 M538 I539	L278-R532 HydrophobicContact CD2-CB 4.01Å; F304-R532 VanDerWaalsContact CZ-NH2 3.31Å; I307-R532 VanDerWaalsContact CG2-NH1 3.31Å; I307-R532 PolarHBondContact O-NH1 3.27Å; P308-R532 WeakPolarHBondContact O-CD 3.4Å; P308-R532 PolarHBondContact O-NH1 3.38Å; M309-R532 PolarHBondContact SD-NH1 2.93Å; M309-R532 VanDerWaalsContact SD-NH1 3.37Å; M309-R532 PolarHBondContact SD-NH2 3.42Å; N310-R532 WeakPolarHBondContact CB-O 3.5Å; N310-R532 PolarHBondContact ND2-O 2.96Å; T528-R532 WeakPolarHBondContact O-CG 3.28Å; T528-R532 PolarHBondContact O-N 2.89Å; C529-R532 PolarHBondContact O-N 3.44Å; Q530-R532 VanDerWaalsContact C-N 3.28Å; Q530-R532 PolarHBondContact O-N 3.31Å; R532-D534 VanDerWaalsContact C-N 3.29Å; R532-R535 WeakPolarHBondContact CA-O 3.47Å; R532-M538 HydrophobicContact CG-CB 4.17Å; R532-M538 PolarHBondContact NE-O 3.4Å; R532-I539 PolarHBondContact NH2-O 3.1Å
533	Q	98.5	Very high	98.1	Very high	36 Å²	36	21.9 Å²	21.9	17%	0.168	11%	0.106	C	C	.	.	H	α-helix	trans	-64.7	-37.5	167.8	-67.5	175.9	37.5	0	0	111.3	L278 H336 R360 C529 Q530	L278-Q533 VanDerWaalsContact C-NE2 3.3Å; L278-Q533 HydrophobicContact CB-CG 3.78Å; L278-Q533 HydrophobicContact CD1-CG 4.33Å; L278-Q533 PolarHBondContact O-NE2 2.96Å; H336-Q533 PolarHBondContact CE1-O 2.9Å; H336-Q533 PolarHBondContact NE2-O 3.34Å; R360-Q533 VanDerWaalsContact NH2-OE1 3.11Å; C529-Q533 WeakPolarHBondContact O-CG 3.27Å; C529-Q533 PolarHBondContact O-N 3.17Å; Q530-Q533 WeakPolarHBondContact O-CB 3.19Å; Q530-Q533 PolarHBondContact O-N 2.94Å; Q530-Q533 VanDerWaalsContact O-N 3.14Å
534	D	98.8	Very high	97.9	Very high	8 Å²	8	22.7 Å²	22.7	4%	0.043	11%	0.11	C	C	.	.	H	α-helix	trans	-80.5	-40.4	-176.7	-61.6	-9.8	0	0	0	111.8	S337 I359 R360 Q530 L531 R532	S337-D534 PolarHBondContact OG-O 3.03Å; I359-D534 HydrophobicContact CD1-CB 3.61Å; I359-D534 HydrophobicContact CG2-CB 4.45Å; R360-D534 WeakPolarHBondContact CB-OD2 3.32Å; R360-D534 IonicContact CZ-OD1 3.62Å; R360-D534 PolarHBondContact N-OD2 2.67Å; R360-D534 IonicContact NE-OD1 2.71Å; R360-D534 PolarHBondContact NE-OD1 3.41Å; R360-D534 IonicContact NE-OD2 3.43Å; R360-D534 PolarHBondContact NE-OD2 2.95Å; R360-D534 IonicContact NH2-OD1 2.61Å; R360-D534 PolarHBondContact NH2-OD1 2.95Å; R360-D534 IonicContact NH2-OD2 2.69Å; Q530-D534 PolarHBondContact O-N 3.49Å; Q530-D534 VanDerWaalsContact O-N 3.12Å; L531-D534 PolarHBondContact O-N 2.97Å; R532-D534 VanDerWaalsContact C-N 3.29Å
535	R	98.8	Very high	97.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	-146.8	124.8	174.6	-176.9	171.5	173.7	81.8	-1	111.3	N334 N355 N357 I359 A498 G499 I500 L531 R532 G537 M538	N334-R535 WeakPolarHBondContact OD1-CA 3.38Å; N355-R535 PolarHBondContact OD1-NH1 3.1Å; N355-R535 PolarHBondContact OD1-NH2 3.05Å; N357-R535 HydrophobicContact CB-CB 3.99Å; N357-R535 HydrophobicContact CB-CG 4.34Å; N357-R535 WeakPolarHBondContact OD1-CG 3.26Å; N357-R535 PolarHBondContact OD1-NH1 3.5Å; I359-R535 HydrophobicContact CD1-CB 3.73Å; A498-R535 PolarHBondContact O-NH2 3.27Å; G499-R535 PolarHBondContact O-NE 2.94Å; I500-R535 HydrophobicContact CG2-CG 4.15Å; L531-R535 PolarHBondContact O-N 2.79Å; L531-R535 VanDerWaalsContact O-O 3.1Å; R532-R535 WeakPolarHBondContact CA-O 3.47Å; R535-G537 PolarHBondContact O-N 3.36Å; R535-M538 HydrophobicContact CB-CG 3.91Å; R535-M538 HydrophobicContact CB-SD 4.41Å; R535-M538 HydrophobicContact CG-CG 4.39Å; R535-M538 WeakPolarHBondContact O-CG 3.28Å; R535-M538 PolarHBondContact O-N 3.42Å
536	G	98.5	Very high	97.8	Very high	2 Å²	2	24.3 Å²	24.3	2%	0.021	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	131.8	-177.8	0	0	0	0	0	112.5	M309 N310 N334 I500	M309-G536 CarbonylContact O-C 3.56Å; M309-G536 VanDerWaalsContact O-CA 3.3Å; M309-G536 WeakPolarHBondContact O-CA 3.29Å; N310-G536 WeakPolarHBondContact O-CA 3.49Å; N334-G536 PolarHBondContact OD1-N 3.12Å; I500-G536 WeakPolarHBondContact CG2-O 3.42Å
537	G	98.1	Very high	97.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	11.7	173.9	0	0	0	0	0	115.8	M309 R535 I539	M309-G537 PolarHBondContact O-N 2.86Å; R535-G537 PolarHBondContact O-N 3.36Å; G537-I539 CarbonylContact O-C 3.58Å; G537-I539 PolarHBondContact O-N 2.99Å
538	M	98.7	Very high	97.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	-52.9	130	170.9	-71.3	-72	-83.4	0	0	110.8	A371 I500 T503 G504 I507 L531 R532 R535	A371-M538 HydrophobicContact CB-CE 4.28Å; A371-M538 HydrophobicContact CB-SD 4.34Å; I500-M538 HydrophobicContact CB-SD 4.43Å; I500-M538 WeakPolarHBondContact O-CA 3.4Å; T503-M538 HydrophobicContact CG2-CE 4.34Å; G504-M538 VanDerWaalsContact CA-CE 3.47Å; I507-M538 HydrophobicContact CD1-CE 3.95Å; L531-M538 HydrophobicContact CB-CB 3.68Å; L531-M538 HydrophobicContact CB-CE 4.29Å; L531-M538 HydrophobicContact CB-CG 4.09Å; L531-M538 HydrophobicContact CD1-CE 4.33Å; L531-M538 HydrophobicContact CD2-CE 4.17Å; R532-M538 HydrophobicContact CG-CB 4.17Å; R532-M538 PolarHBondContact NE-O 3.4Å; R535-M538 HydrophobicContact CB-CG 3.91Å; R535-M538 HydrophobicContact CB-SD 4.41Å; R535-M538 HydrophobicContact CG-CG 4.39Å; R535-M538 WeakPolarHBondContact O-CG 3.28Å; R535-M538 PolarHBondContact O-N 3.42Å
539	I	98.1	Very high	97.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.093	C	C	.	.	S	Bend	trans	57	99.7	-163.1	-53.1	179	0	0	0	110.3	F304 I500 A508 T528 R532 G537 Q544 Y545 V548	F304-I539 HydrophobicContact CE2-CG2 4.01Å; F304-I539 WeakPolarHBondContact CE2-O 3.12Å; I500-I539 PolarHBondContact O-N 3.37Å; A508-I539 HydrophobicContact CB-CD1 3.87Å; T528-I539 HydrophobicContact CG2-CB 4.42Å; T528-I539 HydrophobicContact CG2-CD1 4.11Å; R532-I539 PolarHBondContact NH2-O 3.1Å; G537-I539 CarbonylContact O-C 3.58Å; G537-I539 PolarHBondContact O-N 2.99Å; I539-Q544 HydrophobicContact CG2-CB 3.88Å; I539-Y545 HydrophobicContact CD1-CD2 4.46Å; I539-Y545 HydrophobicContact CG2-CD2 4.39Å; I539-V548 HydrophobicContact CD1-CG2 4.24Å
540	Q	96.2	Very high	97.4	Very high	83 Å²	83	22 Å²	22	39%	0.388	11%	0.107	S	C	.	.			trans	-90.3	-29.7	-163.5	-169	176	25.9	0	0	113.4	I500	I500-Q540 HydrophobicContact CD1-CG 4.38Å
541	T	96.1	Very high	97.3	Very high	46 Å²	46	20.6 Å²	20.6	28%	0.282	10%	0.101	S	C	.	.	S	Bend	trans	-125.6	159	-176.7	84.6	0	0	0	0	112.3	F304 E543 Q544 Y545	F304-T541 VanDerWaalsContact CZ-C 3.44Å; T541-E543 VanDerWaalsContact C-N 3.27Å; T541-E543 WeakPolarHBondContact CB-OE2 3.41Å; T541-E543 PolarHBondContact O-N 3.29Å; T541-E543 PolarHBondContact OG1-N 3.12Å; T541-E543 PolarHBondContact OG1-OE2 3.38Å; T541-Q544 WeakPolarHBondContact O-CB 3.25Å; T541-Q544 PolarHBondContact O-N 3.36Å; T541-Q544 PolarHBondContact OG1-N 2.93Å; T541-Y545 PolarHBondContact O-N 2.94Å; T541-Y545 VanDerWaalsContact O-N 3.15Å
542	C	95.7	Very high	97.2	Very high	8 Å²	8	20.6 Å²	20.6	5%	0.054	10%	0.101	C	C	.	.	H	α-helix	trans	-62.2	-37.9	176.8	178.1	0	0	0	0	111.5	Q301 F304 Q544 Y545 Q546	Q301-C542 WeakPolarHBondContact CA-SG 3.36Å; Q301-C542 VanDerWaalsContact CB-SG 3.57Å; F304-C542 HydrophobicContact CD1-CB 3.93Å; F304-C542 HydrophobicContact CE1-CB 4.42Å; F304-C542 HydrophobicContact CG-CB 4.4Å; C542-Q544 VanDerWaalsContact C-N 3.29Å; C542-Q544 PolarHBondContact O-N 2.89Å; C542-Y545 WeakPolarHBondContact O-CB 3.28Å; C542-Y545 PolarHBondContact O-N 3.45Å; C542-Y545 VanDerWaalsContact O-N 3.15Å; C542-Q546 PolarHBondContact O-N 2.78Å
543	E	94.8	Very high	97.1	Very high	104 Å²	104	21.1 Å²	21.1	49%	0.486	11%	0.105	S	C	.	.	H	α-helix	trans	-62.6	-40.9	178.9	-57.5	71.9	-155.8	0	0	110.1	T464 T541 Y545 Q546 F547	T464-E543 HydrophobicContact CG2-CB 4.1Å; T464-E543 WeakPolarHBondContact CG2-O 3.23Å; T541-E543 VanDerWaalsContact C-N 3.27Å; T541-E543 WeakPolarHBondContact CB-OE2 3.41Å; T541-E543 PolarHBondContact O-N 3.29Å; T541-E543 PolarHBondContact OG1-N 3.12Å; T541-E543 PolarHBondContact OG1-OE2 3.38Å; E543-Y545 PolarHBondContact O-N 2.94Å; E543-Q546 PolarHBondContact O-N 3.35Å; E543-F547 VanDerWaalsContact O-CB 3.3Å; E543-F547 WeakPolarHBondContact O-CB 3.4Å; E543-F547 PolarHBondContact O-N 2.88Å
544	Q	95.8	Very high	96.9	Very high	20 Å²	20	21.6 Å²	21.6	9%	0.093	11%	0.108	C	C	.	.	H	α-helix	trans	-61.2	-43.2	174	-75.8	173.1	6.1	0	0	112	T464 G501 C505 I539 T541 C542 F547 V548	T464-Q544 HydrophobicContact CG2-CG 4.22Å; G501-Q544 VanDerWaalsContact CA-OE1 3.3Å; C505-Q544 VanDerWaalsContact SG-CB 3.56Å; I539-Q544 HydrophobicContact CG2-CB 3.88Å; T541-Q544 WeakPolarHBondContact O-CB 3.25Å; T541-Q544 PolarHBondContact O-N 3.36Å; T541-Q544 PolarHBondContact OG1-N 2.93Å; C542-Q544 VanDerWaalsContact C-N 3.29Å; C542-Q544 PolarHBondContact O-N 2.89Å; Q544-F547 WeakPolarHBondContact O-CB 3.4Å; Q544-F547 PolarHBondContact O-N 3.35Å; Q544-V548 WeakPolarHBondContact O-CG2 3.3Å; Q544-V548 PolarHBondContact O-N 3.35Å
545	Y	97.8	Very high	96.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-64.2	-42.8	177	-171.6	-112.1	0	0	0	112.4	L300 E303 F304 I307 I524 L525 T528 I539 T541 C542 E543 F547 V548 H549	L300-Y545 HydrophobicContact CD2-CD1 4.11Å; L300-Y545 HydrophobicContact CD2-CE1 3.84Å; E303-Y545 WeakPolarHBondContact OE1-CE1 3.48Å; E303-Y545 PolarHBondContact OE1-OH 3.5Å; F304-Y545 HydrophobicContact CB-CD1 3.92Å; F304-Y545 HydrophobicContact CB-CE1 4.43Å; F304-Y545 HydrophobicContact CB-CG 4.31Å; F304-Y545 HydrophobicContact CD2-CD1 4.16Å; F304-Y545 HydrophobicContact CD2-CD2 4.08Å; F304-Y545 AromaticContact CD2-CG 3.68Å; F304-Y545 HydrophobicContact CD2-CG 3.68Å; F304-Y545 HydrophobicContact CE2-CG 4.49Å; F304-Y545 HydrophobicContact CG-CD1 4.47Å; F304-Y545 HydrophobicContact CG-CG 4.38Å; I307-Y545 HydrophobicContact CD1-CE2 4.22Å; I524-Y545 HydrophobicContact CG2-CD2 4.4Å; I524-Y545 HydrophobicContact CG2-CE2 3.78Å; L525-Y545 WeakPolarHBondContact CA-OH 3.19Å; T528-Y545 HydrophobicContact CG2-CE2 4.38Å; T528-Y545 WeakPolarHBondContact OG1-CE2 3.31Å; I539-Y545 HydrophobicContact CD1-CD2 4.46Å; I539-Y545 HydrophobicContact CG2-CD2 4.39Å; T541-Y545 PolarHBondContact O-N 2.94Å; T541-Y545 VanDerWaalsContact O-N 3.15Å; C542-Y545 WeakPolarHBondContact O-CB 3.28Å; C542-Y545 PolarHBondContact O-N 3.45Å; C542-Y545 VanDerWaalsContact O-N 3.15Å; E543-Y545 PolarHBondContact O-N 2.94Å; Y545-F547 VanDerWaalsContact C-N 3.32Å; Y545-F547 PolarHBondContact O-N 2.9Å; Y545-V548 PolarHBondContact O-N 3.1Å; Y545-H549 AromaticContact CE1-CE1 3.48Å; Y545-H549 VanDerWaalsContact CE1-CE1 3.48Å; Y545-H549 WeakPolarHBondContact CE1-CE1 3.17Å; Y545-H549 AromaticContact CZ-CE1 3.49Å; Y545-H549 VanDerWaalsContact CZ-CE1 3.49Å; Y545-H549 PolarHBondContact O-N 3.34Å; Y545-H549 PolarHBondContact O-ND1 3.01Å
546	Q	96.5	Very high	96.7	Very high	46 Å²	46	23 Å²	23	22%	0.215	11%	0.114	C	C	.	.	H	α-helix	trans	-62.8	-40	172.6	178.6	179.4	4.3	0	0	111.7	L300 C542 E543 V548 H549 H550	L300-Q546 HydrophobicContact CD1-CB 4.04Å; L300-Q546 HydrophobicContact CD1-CG 3.86Å; C542-Q546 PolarHBondContact O-N 2.78Å; E543-Q546 PolarHBondContact O-N 3.35Å; Q546-V548 VanDerWaalsContact C-N 3.34Å; Q546-V548 PolarHBondContact O-N 2.7Å; Q546-H549 WeakPolarHBondContact O-CB 3.43Å; Q546-H549 PolarHBondContact O-N 2.93Å; Q546-H549 VanDerWaalsContact O-N 3.12Å; Q546-H550 PolarHBondContact NE2-NE2 3.31Å; Q546-H550 PolarHBondContact O-N 2.85Å
547	F	95.9	Very high	96.5	Very high	9 Å²	9	27.7 Å²	27.7	4%	0.039	13%	0.134	C	C	.	.	H	α-helix	trans	-63.7	-39.2	177.9	-179.7	-106	0	0	0	112.3	W459 T464 P465 A468 L471 E543 Q544 Y545 H549 H550 V551	W459-F547 HydrophobicContact CH2-CD1 4.09Å; W459-F547 AromaticContact CH2-CE1 3.95Å; W459-F547 HydrophobicContact CH2-CE1 3.95Å; W459-F547 HydrophobicContact CZ3-CE1 4.28Å; T464-F547 HydrophobicContact CG2-CB 3.5Å; T464-F547 HydrophobicContact CG2-CD1 4.48Å; T464-F547 HydrophobicContact CG2-CD2 4.49Å; T464-F547 HydrophobicContact CG2-CG 3.94Å; P465-F547 HydrophobicContact CB-CE1 4.46Å; P465-F547 HydrophobicContact CB-CE2 4.05Å; P465-F547 HydrophobicContact CB-CZ 3.69Å; P465-F547 VanDerWaalsContact CD-CZ 3.48Å; P465-F547 HydrophobicContact CG-CE1 3.82Å; P465-F547 HydrophobicContact CG-CE2 4.24Å; P465-F547 HydrophobicContact CG-CZ 3.54Å; P465-F547 VanDerWaalsContact O-CE2 3.25Å; P465-F547 WeakPolarHBondContact O-CE2 3.5Å; A468-F547 HydrophobicContact CB-CE2 4.34Å; L471-F547 HydrophobicContact CD2-CD1 4.47Å; L471-F547 HydrophobicContact CD2-CE1 3.64Å; L471-F547 HydrophobicContact CD2-CZ 4.43Å; E543-F547 VanDerWaalsContact O-CB 3.3Å; E543-F547 WeakPolarHBondContact O-CB 3.4Å; E543-F547 PolarHBondContact O-N 2.88Å; Q544-F547 WeakPolarHBondContact O-CB 3.4Å; Q544-F547 PolarHBondContact O-N 3.35Å; Y545-F547 VanDerWaalsContact C-N 3.32Å; Y545-F547 PolarHBondContact O-N 2.9Å; F547-H549 VanDerWaalsContact C-N 3.3Å; F547-H549 PolarHBondContact O-N 3.25Å; F547-H550 WeakPolarHBondContact O-CB 3.47Å; F547-H550 PolarHBondContact O-N 3.22Å; F547-V551 HydrophobicContact CD1-CG2 4.06Å; F547-V551 HydrophobicContact CD2-CG2 4.43Å; F547-V551 HydrophobicContact CE1-CG2 3.65Å; F547-V551 HydrophobicContact CE2-CG2 4.05Å; F547-V551 HydrophobicContact CG-CG2 4.43Å; F547-V551 HydrophobicContact CZ-CG2 3.63Å; F547-V551 VanDerWaalsContact O-CG2 3.27Å; F547-V551 WeakPolarHBondContact O-CG2 3.44Å; F547-V551 PolarHBondContact O-N 3.4Å
548	V	97.6	Very high	96.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-58.4	-43.6	171.8	174.8	0	0	0	0	110.6	C505 A508 I524 I539 Q544 Y545 Q546 H550 V551 M552	C505-V548 HydrophobicContact CB-CG2 4.05Å; A508-V548 HydrophobicContact CB-CG1 4.39Å; I524-V548 HydrophobicContact CG2-CG1 3.87Å; I539-V548 HydrophobicContact CD1-CG2 4.24Å; Q544-V548 WeakPolarHBondContact O-CG2 3.3Å; Q544-V548 PolarHBondContact O-N 3.35Å; Y545-V548 PolarHBondContact O-N 3.1Å; Q546-V548 VanDerWaalsContact C-N 3.34Å; Q546-V548 PolarHBondContact O-N 2.7Å; V548-H550 PolarHBondContact O-N 3.48Å; V548-V551 PolarHBondContact O-N 3.05Å; V548-M552 HydrophobicContact CG1-CG 4.32Å; V548-M552 VanDerWaalsContact O-CG 3.31Å; V548-M552 WeakPolarHBondContact O-CG 3.49Å; V548-M552 PolarHBondContact O-N 3Å
549	H	97.8	Very high	95.8	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-61.2	-41.9	174.8	-74.1	74.1	0	0	0	112.7	A294 L300 I524 Y545 Q546 F547 M552 S553	A294-H549 HydrophobicContact CB-CB 4.04Å; L300-H549 HydrophobicContact CD1-CB 4.35Å; L300-H549 WeakPolarHBondContact CD2-CE1 3.45Å; L300-H549 WeakPolarHBondContact CD2-NE2 3.28Å; I524-H549 HydrophobicContact CD1-CB 4.34Å; I524-H549 VanDerWaalsContact CD1-CD2 3.47Å; I524-H549 WeakPolarHBondContact CD1-CD2 3.38Å; I524-H549 VanDerWaalsContact CG2-CE1 3.47Å; I524-H549 WeakPolarHBondContact CG2-CE1 3.37Å; Y545-H549 AromaticContact CE1-CE1 3.48Å; Y545-H549 VanDerWaalsContact CE1-CE1 3.48Å; Y545-H549 WeakPolarHBondContact CE1-CE1 3.17Å; Y545-H549 AromaticContact CZ-CE1 3.49Å; Y545-H549 VanDerWaalsContact CZ-CE1 3.49Å; Y545-H549 PolarHBondContact O-N 3.34Å; Y545-H549 PolarHBondContact O-ND1 3.01Å; Q546-H549 WeakPolarHBondContact O-CB 3.43Å; Q546-H549 PolarHBondContact O-N 2.93Å; Q546-H549 VanDerWaalsContact O-N 3.12Å; F547-H549 VanDerWaalsContact C-N 3.3Å; F547-H549 PolarHBondContact O-N 3.25Å; H549-M552 PolarHBondContact O-N 3.16Å; H549-S553 WeakPolarHBondContact O-CB 3.27Å; H549-S553 PolarHBondContact O-N 2.92Å
550	H	95.4	Very high	95.2	Very high	68 Å²	68	35.3 Å²	35.3	32%	0.315	18%	0.177	S	C	.	.	H	α-helix	trans	-62.8	-42.3	175.5	-70.4	-33.2	0	0	0	112.6	A294 Q546 F547 V548 S553 L554	A294-H550 PolarHBondContact O-CE1 2.88Å; A294-H550 PolarHBondContact O-ND1 2.85Å; Q546-H550 PolarHBondContact NE2-NE2 3.31Å; Q546-H550 PolarHBondContact O-N 2.85Å; F547-H550 WeakPolarHBondContact O-CB 3.47Å; F547-H550 PolarHBondContact O-N 3.22Å; V548-H550 PolarHBondContact O-N 3.48Å; H550-S553 PolarHBondContact O-N 3.06Å; H550-L554 WeakPolarHBondContact O-CB 3.29Å; H550-L554 PolarHBondContact O-N 3.23Å
551	V	96.1	Very high	94.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.9	-43.9	177	176.3	0	0	0	0	110.7	A468 L471 L472 T509 F547 V548 L554 Y555	A468-V551 HydrophobicContact CB-CB 4.35Å; A468-V551 HydrophobicContact CB-CG2 3.64Å; L471-V551 HydrophobicContact CD2-CG2 4.27Å; L472-V551 HydrophobicContact CB-CG1 4.24Å; L472-V551 HydrophobicContact CD1-CG1 4.38Å; T509-V551 HydrophobicContact CG2-CB 4.48Å; T509-V551 HydrophobicContact CG2-CG1 3.51Å; F547-V551 HydrophobicContact CD1-CG2 4.06Å; F547-V551 HydrophobicContact CD2-CG2 4.43Å; F547-V551 HydrophobicContact CE1-CG2 3.65Å; F547-V551 HydrophobicContact CE2-CG2 4.05Å; F547-V551 HydrophobicContact CG-CG2 4.43Å; F547-V551 HydrophobicContact CZ-CG2 3.63Å; F547-V551 VanDerWaalsContact O-CG2 3.27Å; F547-V551 WeakPolarHBondContact O-CG2 3.44Å; F547-V551 PolarHBondContact O-N 3.4Å; V548-V551 PolarHBondContact O-N 3.05Å; V551-L554 WeakPolarHBondContact O-CB 3.38Å; V551-L554 PolarHBondContact O-N 3.43Å; V551-Y555 WeakPolarHBondContact O-CB 3.5Å; V551-Y555 PolarHBondContact O-N 3.44Å
552	M	97.6	Very high	93.4	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-66.1	-40.9	177.7	-67.5	-42.3	-56	0	0	112.3	L290 T509 C512 L516 V522 I524 V548 H549 L554 Y555 E556	L290-M552 HydrophobicContact CD1-CB 4.1Å; L290-M552 HydrophobicContact CD2-CB 4.17Å; T509-M552 HydrophobicContact CG2-SD 4.2Å; C512-M552 HydrophobicContact CB-CE 3.56Å; C512-M552 HydrophobicContact CB-CG 3.89Å; C512-M552 HydrophobicContact CB-SD 3.46Å; C512-M552 WeakPolarHBondContact CB-SD 3.43Å; C512-M552 WeakPolarHBondContact O-CE 3.42Å; L516-M552 HydrophobicContact CB-CE 4.4Å; L516-M552 HydrophobicContact CD2-CE 4.34Å; V522-M552 HydrophobicContact CG1-CE 3.95Å; I524-M552 HydrophobicContact CD1-CB 4.15Å; I524-M552 HydrophobicContact CD1-CG 3.99Å; I524-M552 HydrophobicContact CG1-CG 4.41Å; V548-M552 HydrophobicContact CG1-CG 4.32Å; V548-M552 VanDerWaalsContact O-CG 3.31Å; V548-M552 WeakPolarHBondContact O-CG 3.49Å; V548-M552 PolarHBondContact O-N 3Å; H549-M552 PolarHBondContact O-N 3.16Å; M552-L554 VanDerWaalsContact C-N 3.31Å; M552-L554 PolarHBondContact O-N 2.92Å; M552-Y555 HydrophobicContact CE-CD1 3.89Å; M552-Y555 PolarHBondContact O-N 3.34Å; M552-E556 PolarHBondContact O-N 3.47Å
553	S	96.5	Very high	91.4	Very high	13 Å²	13	46.6 Å²	46.6	9%	0.091	24%	0.235	C	C	.	.	H	α-helix	trans	-61	-38.3	174	178	0	0	0	0	112	H291 H549 H550 K557	H291-S553 PolarHBondContact CE1-O 2.83Å; H291-S553 PolarHBondContact ND1-OG 3.43Å; H549-S553 WeakPolarHBondContact O-CB 3.27Å; H549-S553 PolarHBondContact O-N 2.92Å; H550-S553 PolarHBondContact O-N 3.06Å; S553-K557 WeakPolarHBondContact O-CG 3.48Å; S553-K557 PolarHBondContact O-N 3.12Å
554	L	94.9	Very high	89.1	Confident	45 Å²	45	47.2 Å²	47.2	24%	0.236	25%	0.248	C	C	.	.	H	α-helix	trans	-67.3	-43.4	172.3	175.3	66.2	0	0	0	111.9	A468 P469 L472 H550 V551 M552 K557 Q558	A468-L554 HydrophobicContact CB-CD2 3.73Å; P469-L554 HydrophobicContact CB-CD2 4.4Å; P469-L554 HydrophobicContact CG-CD2 3.77Å; L472-L554 HydrophobicContact CD2-CD2 4.24Å; L472-L554 HydrophobicContact CD2-CG 4.32Å; H550-L554 WeakPolarHBondContact O-CB 3.29Å; H550-L554 PolarHBondContact O-N 3.23Å; V551-L554 WeakPolarHBondContact O-CB 3.38Å; V551-L554 PolarHBondContact O-N 3.43Å; M552-L554 VanDerWaalsContact C-N 3.31Å; M552-L554 PolarHBondContact O-N 2.92Å; L554-K557 PolarHBondContact O-N 3.27Å; L554-Q558 WeakPolarHBondContact O-CG 3.48Å; L554-Q558 PolarHBondContact O-N 3.39Å; L554-Q558 VanDerWaalsContact O-N 3.14Å
555	Y	95.9	Very high	86.3	Confident	7 Å²	7	59 Å²	59	3%	0.027	30%	0.303	C	S	.	.	H	α-helix	trans	-63.6	-42.9	-178.4	-178.1	-121.4	0	0	0	112	L472 R476 C513 L516 R517 V551 M552 K557 Q558 L559	L472-Y555 HydrophobicContact CD1-CD2 3.62Å; L472-Y555 HydrophobicContact CD1-CE2 4.38Å; L472-Y555 HydrophobicContact CD1-CG 3.94Å; L472-Y555 HydrophobicContact CD2-CD2 3.95Å; L472-Y555 HydrophobicContact CD2-CG 4.42Å; L472-Y555 HydrophobicContact CG-CD2 4.25Å; R476-Y555 VanDerWaalsContact NH2-CD2 3.34Å; C513-Y555 HydrophobicContact CB-CD1 4.11Å; C513-Y555 HydrophobicContact CB-CE1 3.76Å; C513-Y555 VanDerWaalsContact SG-CD1 3.51Å; L516-Y555 HydrophobicContact CB-CE1 4.41Å; L516-Y555 HydrophobicContact CD2-CD1 3.71Å; L516-Y555 HydrophobicContact CD2-CE1 4.19Å; R517-Y555 WeakPolarHBondContact CD-OH 3.38Å; R517-Y555 HydrophobicContact CG-CE1 4.18Å; R517-Y555 WeakPolarHBondContact CG-OH 3.28Å; R517-Y555 PolarHBondContact NH1-OH 2.8Å; V551-Y555 WeakPolarHBondContact O-CB 3.5Å; V551-Y555 PolarHBondContact O-N 3.44Å; M552-Y555 HydrophobicContact CE-CD1 3.89Å; M552-Y555 PolarHBondContact O-N 3.34Å; Y555-K557 VanDerWaalsContact C-N 3.35Å; Y555-K557 PolarHBondContact O-N 3.47Å; Y555-Q558 PolarHBondContact O-N 2.99Å; Y555-Q558 VanDerWaalsContact O-N 3.15Å; Y555-L559 HydrophobicContact CE1-CD1 4.35Å; Y555-L559 HydrophobicContact CE2-CD1 4.39Å; Y555-L559 PolarHBondContact O-N 2.93Å
556	E	96.3	Very high	85.7	Confident	31 Å²	31	62 Å²	62	15%	0.145	32%	0.318	C	S	.	.	H	α-helix	trans	-55.2	-49.5	174	-167.9	-69.1	149.5	0	0	111	A287 L290 H291 L516 M552 Q558 L559 S560	A287-E556 HydrophobicContact CB-CG 3.88Å; A287-E556 VanDerWaalsContact CB-OE1 3.28Å; A287-E556 WeakPolarHBondContact CB-OE1 3.3Å; L290-E556 HydrophobicContact CD2-CB 4.1Å; L290-E556 HydrophobicContact CD2-CG 4.46Å; H291-E556 IonicContact CE1-OE2 3.09Å; H291-E556 PolarHBondContact CE1-OE2 2.93Å; H291-E556 IonicContact NE2-OE2 3.04Å; H291-E556 PolarHBondContact NE2-OE2 3.44Å; L516-E556 HydrophobicContact CD1-CG 4.37Å; L516-E556 HydrophobicContact CD2-CB 3.67Å; L516-E556 HydrophobicContact CD2-CG 4.05Å; M552-E556 PolarHBondContact O-N 3.47Å; E556-Q558 PolarHBondContact O-N 3.4Å; E556-L559 WeakPolarHBondContact O-CA 3.37Å; E556-L559 WeakPolarHBondContact O-CB 3.46Å; E556-L559 PolarHBondContact O-N 3.02Å; E556-S560 PolarHBondContact O-N 2.94Å; E556-S560 PolarHBondContact O-OG 2.82Å
557	K	94.1	Very high	85.1	Confident	101 Å²	101	62.8 Å²	62.8	44%	0.439	32%	0.324	S	S	.	.	H	α-helix	trans	-59.4	-36.1	178.7	-71.7	174.7	-177.6	178.3	0	112.5	S553 L554 Y555 S560 H561	S553-K557 WeakPolarHBondContact O-CG 3.48Å; S553-K557 PolarHBondContact O-N 3.12Å; L554-K557 PolarHBondContact O-N 3.27Å; Y555-K557 VanDerWaalsContact C-N 3.35Å; Y555-K557 PolarHBondContact O-N 3.47Å; K557-S560 WeakPolarHBondContact CA-OG 3.27Å; K557-S560 PolarHBondContact O-OG 2.94Å; K557-H561 PolarHBondContact O-CD2 2.99Å; K557-H561 PolarHBondContact O-N 3.14Å
558	Q	92.7	Very high	84.5	Confident	56 Å²	56	65.8 Å²	65.8	26%	0.262	34%	0.34	S	S	.	.	H	α-helix	trans	-70.7	-34.8	176.5	-68.7	-179.8	2.1	0	0	112	R476 L554 Y555 E556 Q562	R476-Q558 VanDerWaalsContact CZ-OE1 3.27Å; L554-Q558 WeakPolarHBondContact O-CG 3.48Å; L554-Q558 PolarHBondContact O-N 3.39Å; L554-Q558 VanDerWaalsContact O-N 3.14Å; Y555-Q558 PolarHBondContact O-N 2.99Å; Y555-Q558 VanDerWaalsContact O-N 3.15Å; E556-Q558 PolarHBondContact O-N 3.4Å; Q558-Q562 VanDerWaalsContact O-CG 3.32Å; Q558-Q562 WeakPolarHBondContact O-CG 3.41Å; Q558-Q562 PolarHBondContact O-N 3.11Å
559	L	90.6	Very high	83.7	Confident	44 Å²	44	69.7 Å²	69.7	23%	0.23	36%	0.36	C	S	.	.	H	α-helix	trans	-70.2	-41.6	178.7	-150	92.2	0	0	0	111.8	R517 Y555 E556 H561 Q562 S563	R517-L559 HydrophobicContact CG-CD1 3.95Å; Y555-L559 HydrophobicContact CE1-CD1 4.35Å; Y555-L559 HydrophobicContact CE2-CD1 4.39Å; Y555-L559 PolarHBondContact O-N 2.93Å; E556-L559 WeakPolarHBondContact O-CA 3.37Å; E556-L559 WeakPolarHBondContact O-CB 3.46Å; E556-L559 PolarHBondContact O-N 3.02Å; L559-H561 VanDerWaalsContact C-N 3.32Å; L559-H561 PolarHBondContact O-N 3.2Å; L559-Q562 PolarHBondContact O-N 2.87Å; L559-Q562 VanDerWaalsContact O-N 3.09Å; L559-S563 PolarHBondContact O-N 3.16Å; L559-S563 PolarHBondContact O-OG 3.27Å
560	S	85.9	Confident	82.9	Confident	60 Å²	60	74 Å²	74	42%	0.42	38%	0.382	S	S	.	.	H	α-helix	trans	-65.3	-33.9	178.7	55.4	0	0	0	0	112.5	E556 K557 Q562	E556-S560 PolarHBondContact O-N 2.94Å; E556-S560 PolarHBondContact O-OG 2.82Å; K557-S560 WeakPolarHBondContact CA-OG 3.27Å; K557-S560 PolarHBondContact O-OG 2.94Å; S560-Q562 VanDerWaalsContact C-N 3.32Å; S560-Q562 PolarHBondContact O-N 3.3Å
561	H	82.4	Confident	82	Confident	166 Å²	166	74.4 Å²	74.4	77%	0.769	39%	0.386	S	S	*	.	H	α-helix	trans	-70.9	-22.5	171.9	-75.7	-55.7	0	0	0	114.4	K557 L559	K557-H561 PolarHBondContact O-CD2 2.99Å; K557-H561 PolarHBondContact O-N 3.14Å; L559-H561 VanDerWaalsContact C-N 3.32Å; L559-H561 PolarHBondContact O-N 3.2Å
562	Q	70.6	Confident	81	Confident	125 Å²	125	79.7 Å²	79.7	58%	0.584	41%	0.414	S	S	*	.	H	α-helix	trans	-90.2	-7.2	-178.9	-74	176.5	0.1	0	0	113.8	Q558 L559 S560 P564	Q558-Q562 VanDerWaalsContact O-CG 3.32Å; Q558-Q562 WeakPolarHBondContact O-CG 3.41Å; Q558-Q562 PolarHBondContact O-N 3.11Å; L559-Q562 PolarHBondContact O-N 2.87Å; L559-Q562 VanDerWaalsContact O-N 3.09Å; S560-Q562 VanDerWaalsContact C-N 3.32Å; S560-Q562 PolarHBondContact O-N 3.3Å; Q562-P564 WeakPolarHBondContact O-CD 3.36Å
563	S	54.7	Low	79.7	Confident	83 Å²	83	85.8 Å²	85.8	58%	0.58	45%	0.446	S	S	*	.			trans	-97	90.2	176.6	-56.4	0	0	0	0	109.5	L559	L559-S563 PolarHBondContact O-N 3.16Å; L559-S563 PolarHBondContact O-OG 3.27Å
564	P	46.6	Very low	78.3	Confident	116 Å²	116	91.9 Å²	91.9	75%	0.753	48%	0.475	S	S	*	.			trans	-68.6	138.3	165.3	29.9	-31.9	0	0	0	108.9	Q562	Q562-P564 WeakPolarHBondContact O-CD 3.36Å
565	E	35.5	Very low	76.8	Confident	269 Å²	269	96.2 Å²	96.2	100%	1.257	50%	0.497	S	S	*	.			trans	-47.2	0	170	-70	-177.9	147.4	0	0	114

Retrieved 565 of 565 residues in 122.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).