X6R3Q3_HUMAN Loading...

Terminal uridylyl transferase 7

AlphaFold DB , UniProt , Accession X6R3Q3, Species HUMAN (Homo sapiens, Human), Gene TUT7, Length 784 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	32.3	Very low	33.1	Very low	247 Å²	247	139.1 Å²	139.1	100%	1.217	76%	0.757	S	S	*	*				0	133	0	-82.7	177.7	163.4	0	0	107.1
2	G	30.4	Very low	32.7	Very low	68 Å²	68	139.8 Å²	139.8	70%	0.701	76%	0.76	S	S	*	*			trans	77.1	140.5	-179.1	0	0	0	0	0	114.8
3	N	32.5	Very low	32.5	Very low	124 Å²	124	137.9 Å²	137.9	66%	0.663	76%	0.763	S	S	*	*			cis	-162.5	147.2	-29.2	-123.8	22.9	0	0	0	109.3
4	E	36.6	Very low	32.4	Very low	140 Å²	140	138.5 Å²	138.5	65%	0.654	76%	0.764	S	S	*	*			trans	56.4	147.8	136.7	-65.8	167.2	-176.4	0	0	120.6
5	H	35.8	Very low	32.1	Very low	142 Å²	142	136.7 Å²	136.7	66%	0.657	76%	0.764	S	S	*	*			cis	-164.8	154.7	-2.2	-119	-27.3	0	0	0	111.4
6	I	32.9	Very low	31.8	Very low	145 Å²	145	137.3 Å²	137.3	74%	0.744	76%	0.763	S	S	*	*			trans	62.7	131.6	143	-66.2	163.6	0	0	0	118.3
7	S	28.9	Very low	31.5	Very low	108 Å²	108	139.6 Å²	139.6	76%	0.755	77%	0.766	S	S	*	*			cis	-152.1	-129.3	-23.5	-159.6	0	0	0	0	107.7
8	V	26.9	Very low	31.5	Very low	127 Å²	127	136.5 Å²	136.5	77%	0.77	76%	0.762	S	S	*	*			cis	-146.4	145.1	3.6	-177.6	0	0	0	0	108.3
9	H	26.3	Very low	31.5	Very low	180 Å²	180	136.8 Å²	136.8	83%	0.833	76%	0.763	S	S	*	*			trans	-165.6	175.3	176.8	-110.5	-59.3	0	0	0	107.4
10	P	51.2	Low	31.5	Very low	92 Å²	92	135.7 Å²	135.7	60%	0.597	76%	0.759	S	S	*	*			cis	-142.1	-150.8	-13.6	32.1	-6.2	0	0	0	113.3
11	E	30.7	Very low	31.5	Very low	157 Å²	157	135.9 Å²	135.9	73%	0.734	76%	0.758	S	S	*	*			trans	92	108.2	137.1	-86.3	169.4	-142	0	0	124.6
12	N	28.2	Very low	31.5	Very low	148 Å²	148	128.6 Å²	128.6	79%	0.791	73%	0.731	S	S	*	*				62.9	144.5	111.9	-64.5	4.1	0	0	0	125.6
13	S	29.5	Very low	31.5	Very low	115 Å²	115	132.3 Å²	132.3	80%	0.804	74%	0.735	S	S	*	*			trans	109.8	136.8	136.2	-156.8	0	0	0	0	119.6
14	D	30.9	Very low	31.8	Very low	146 Å²	146	132.1 Å²	132.1	78%	0.781	74%	0.735	S	S	*	*			trans	-75.5	154.6	-179.2	-45.6	-88	0	0	0	114.9
15	C	27.8	Very low	31.7	Very low	112 Å²	112	133.3 Å²	133.3	76%	0.757	73%	0.734	S	S	*	*				-179.7	116.9	127.5	-96	0	0	0	0	115.9
16	I	28.6	Very low	31.5	Very low	145 Å²	145	134.8 Å²	134.8	74%	0.744	74%	0.739	S	S	*	*				52.8	137.9	119.8	-62.9	178.1	0	0	0	122.4
17	Q	26.6	Very low	31.3	Very low	177 Å²	177	131.3 Å²	131.3	83%	0.827	74%	0.739	S	S	*	*			trans	71.5	123.8	169.6	-77.1	171.7	-62.3	0	0	116.9
18	A	30.3	Very low	31.4	Very low	84 Å²	84	132.7 Å²	132.7	69%	0.694	74%	0.737	S	S	*	*				87.1	144.1	51.4	0	0	0	0	0	112.4
19	D	32.5	Very low	31.5	Very low	143 Å²	143	134.5 Å²	134.5	77%	0.765	74%	0.735	S	S	*	*			cis	-160.2	-174.4	27.3	-142.7	-29.4	0	0	0	114.1
20	V	30.9	Very low	31.8	Very low	114 Å²	114	131.9 Å²	131.9	69%	0.691	73%	0.731	S	S	*	*			trans	93.9	88.9	161	-163.5	0	0	0	0	120.5
21	N	32.3	Very low	30.6	Very low	140 Å²	140	138.2 Å²	138.2	75%	0.749	75%	0.745	S	S	*	*				57.1	157.2	124.9	-55.6	-4.1	0	0	0	122.4
22	S	31.7	Very low	30.8	Very low	93 Å²	93	139.1 Å²	139.1	65%	0.65	75%	0.749	S	S	*	*			cis	-149.4	155.9	13	-20.4	0	0	0	0	114.8
23	D	31.4	Very low	31.3	Very low	146 Å²	146	137.1 Å²	137.1	78%	0.781	74%	0.744	S	S	*	*			trans	62.8	143.3	141.3	-50.2	-12.7	0	0	0	123.2
24	D	37.6	Very low	31.2	Very low	121 Å²	121	139.6 Å²	139.6	65%	0.647	74%	0.743	S	S	*	*			cis	-160.9	156.4	-37.6	-141.8	3.1	0	0	0	114.4
25	Y	34.7	Very low	31	Very low	164 Å²	164	139.4 Å²	139.4	64%	0.643	75%	0.747	S	S	*	*			trans	63.1	114.5	153	-81.6	-162.3	0	0	0	125.8
26	K	31	Very low	30.9	Very low	174 Å²	174	137.5 Å²	137.5	76%	0.757	75%	0.746	S	S	*	*				64.4	145.5	124.5	-60.7	172.6	-174.4	167.4	0	121.2
27	G	29.3	Very low	31	Very low	72 Å²	72	141.3 Å²	141.3	74%	0.742	75%	0.751	S	S	*	*			cis	156.1	147.9	-11.4	0	0	0	0	0	116.2
28	D	31.5	Very low	31.1	Very low	136 Å²	136	140.3 Å²	140.3	73%	0.727	74%	0.744	S	S	*	*			trans	80.6	135.8	148.6	-113.7	4.6	0	0	0	124.1
29	K	29.2	Very low	31	Very low	166 Å²	166	142 Å²	142	72%	0.722	74%	0.742	S	S	*	*			trans	73.7	107.3	147.1	-69.1	176.4	174.9	94.7	0	123.6
30	V	31.4	Very low	30.8	Very low	125 Å²	125	141.1 Å²	141.1	76%	0.758	73%	0.733	S	S	*	*				13	125.1	119	-178.4	0	0	0	0	118.1
31	Y	26.1	Very low	30.7	Very low	224 Å²	224	144 Å²	144	88%	0.878	74%	0.736	S	S	*	*				-175.2	143.1	126.7	-104.3	-71.4	0	0	0	111.6
32	H	34.8	Very low	30.6	Very low	177 Å²	177	143.9 Å²	143.9	82%	0.819	73%	0.731	S	S	*	*			trans	-97.6	143.9	151	-94.7	-64.1	0	0	0	107.3
33	P	39.1	Very low	30.6	Very low	105 Å²	105	147.5 Å²	147.5	68%	0.682	74%	0.735	S	S	*	*				-153.4	159	97.9	40.3	-22.2	0	0	0	117.7
34	E	27.9	Very low	30.6	Very low	168 Å²	168	147.2 Å²	147.2	79%	0.785	74%	0.738	S	S	*	*			trans	50.5	133.8	133.9	-65	-169.2	143	0	0	126.4
35	T	27.4	Very low	30.1	Very low	141 Å²	141	144.5 Å²	144.5	87%	0.865	74%	0.739	S	S	*	*			trans	78.6	154.7	137.6	60.7	0	0	0	0	123.6
36	G	25.8	Very low	29.9	Very low	72 Å²	72	147.5 Å²	147.5	74%	0.742	75%	0.749	S	S	*	*			trans	94.8	68.9	160.8	0	0	0	0	0	116.8
37	R	29.3	Very low	29.8	Very low	225 Å²	225	148.1 Å²	148.1	85%	0.849	75%	0.752	S	S	*	*				64.3	120.1	65.6	-138.9	-161.6	-175.6	179.4	5.1	115.4
38	K	29.1	Very low	29.6	Very low	156 Å²	156	148 Å²	148	68%	0.678	75%	0.75	S	S	*	*			trans	91	127.4	155	-68.2	-168.3	175.6	-178.8	0	121.9
39	N	28	Very low	29.6	Very low	120 Å²	120	151.4 Å²	151.4	64%	0.642	76%	0.758	S	S	*	*			trans	72.2	149.9	133.9	-64.5	31.8	0	0	0	117.7
40	E	29.5	Very low	29.5	Very low	124 Å²	124	151.3 Å²	151.3	58%	0.579	76%	0.76	S	S	*	*			cis	-164.6	163.9	3.8	-128.4	166.9	-136	0	0	112.4
41	K	28.3	Very low	29.4	Very low	174 Å²	174	151.7 Å²	151.7	76%	0.757	76%	0.757	S	S	*	*			trans	68.6	156.9	153	-74	160.1	-178.3	154	0	116.8
42	E	29.7	Very low	29.6	Very low	139 Å²	139	147.9 Å²	147.9	65%	0.65	75%	0.751	S	S	*	*			cis	-130.6	161.3	7.3	-77.6	-159	118.7	0	0	114.8
43	K	31.7	Very low	29.3	Very low	168 Å²	168	144.9 Å²	144.9	73%	0.73	75%	0.746	S	S	*	*			trans	8.5	150.3	133.9	-36.4	159	-177.8	159.3	0	117.7
44	V	31.7	Very low	28.8	Very low	141 Å²	141	145.8 Å²	145.8	86%	0.855	75%	0.749	S	S	*	*			cis	-158.7	159.1	27.9	-176.7	0	0	0	0	107.9
45	G	27.3	Very low	28.9	Very low	63 Å²	63	143.8 Å²	143.8	65%	0.649	74%	0.743	S	S	*	*			cis	141.3	110.9	-12.5	0	0	0	0	0	116.9
46	R	30.9	Very low	29	Very low	227 Å²	227	143.3 Å²	143.3	86%	0.857	73%	0.731	S	S	*	*			trans	85.1	134.5	153.3	-125.7	-178.2	178.6	179.2	1.1	121.6
47	K	27.3	Very low	29	Very low	188 Å²	188	148.6 Å²	148.6	82%	0.817	73%	0.734	S	S	*	*			trans	73.1	145	160.9	-53.9	172.2	-179.7	175.3	0	117.5
48	G	26.7	Very low	28.9	Very low	68 Å²	68	148.5 Å²	148.5	70%	0.701	73%	0.734	S	S	*	*			cis	140	154.7	-11.4	0	0	0	0	0	114.9
49	K	30.9	Very low	28.7	Very low	209 Å²	209	144.3 Å²	144.3	91%	0.909	73%	0.734	S	S	*	*			trans	77	160.1	177.3	-65.8	-171.2	175.6	-169.5	0	117.5
50	H	27.4	Very low	28.6	Very low	163 Å²	163	146.3 Å²	146.3	76%	0.755	74%	0.74	S	S	*	*			cis	-173.2	121.9	-36.3	-156.3	-106.6	0	0	0	111.4
51	L	28.8	Very low	28.4	Very low	134 Å²	134	148.9 Å²	148.9	70%	0.702	75%	0.752	S	S	*	*			trans	57.3	153.6	144.4	-143.6	74.4	0	0	0	123.6
52	L	30.2	Very low	28.4	Very low	143 Å²	143	146.5 Å²	146.5	75%	0.749	75%	0.751	S	S	*	*			trans	78.8	148.9	163.8	-53	-179.5	0	0	0	117.4
53	T	28.1	Very low	28.2	Very low	115 Å²	115	145.5 Å²	145.5	71%	0.706	75%	0.754	S	S	*	*			cis	-156.9	141.7	6	-2.5	0	0	0	0	113.9
54	V	29.6	Very low	27.8	Very low	123 Å²	123	143.6 Å²	143.6	75%	0.745	76%	0.761	S	S	*	*			trans	67.9	130	133.7	166.4	0	0	0	0	124.2
55	D	28.6	Very low	27.4	Very low	126 Å²	126	139.6 Å²	139.6	67%	0.674	75%	0.748	S	S	*	*			trans	112.8	139.7	139.4	-108.6	-27.8	0	0	0	125.5
56	Q	29.3	Very low	27.5	Very low	131 Å²	131	142 Å²	142	61%	0.612	76%	0.755	S	S	*	*			trans	7	146.5	155.3	-77.5	162.6	66.6	0	0	121
57	K	27.2	Very low	27.4	Very low	183 Å²	183	137 Å²	137	80%	0.796	75%	0.75	S	S	*	*			cis	-166.4	-173.8	45.4	-134.7	146.6	-174	143	0	114.2
58	R	26	Very low	27.5	Very low	224 Å²	224	138.4 Å²	138.4	85%	0.845	75%	0.75	S	S	*	*			trans	-74.2	157.9	-178.1	-75.3	-175.7	172.6	-157.8	2.4	115.8
59	G	26.4	Very low	27.6	Very low	67 Å²	67	141 Å²	141	69%	0.691	75%	0.748	S	S	*	*			trans	176.6	101.3	152.2	0	0	0	0	0	108.2
60	E	26	Very low	27.4	Very low	162 Å²	162	135.7 Å²	135.7	76%	0.757	73%	0.729	S	S	*	*				50.2	105	86.6	-74.3	171.1	-161	0	0	113.2
61	H	25.5	Very low	27.6	Very low	179 Å²	179	136 Å²	136	83%	0.829	73%	0.731	S	S	*	*				72.7	147	72.1	-115.4	-90.5	0	0	0	115.2
62	V	26.8	Very low	27.5	Very low	124 Å²	124	135.2 Å²	135.2	75%	0.752	74%	0.737	S	S	*	*			trans	72.7	152.5	161.3	162.2	0	0	0	0	117.7
63	V	25.6	Very low	27.5	Very low	117 Å²	117	136.9 Å²	136.9	71%	0.709	74%	0.741	S	S	*	*			cis	-170	159.8	-46	100.5	0	0	0	0	108.9
64	C	23.3	Very low	27.5	Very low	128 Å²	128	136.6 Å²	136.6	87%	0.865	74%	0.743	S	S	*	*			trans	61.5	162.9	171.9	-78.4	0	0	0	0	117.6
65	G	24.1	Very low	27.5	Very low	57 Å²	57	136 Å²	136	59%	0.588	74%	0.74	S	S	*	*			cis	142	141.7	-12.4	0	0	0	0	0	114.2
66	S	29.2	Very low	27.5	Very low	114 Å²	114	137.8 Å²	137.8	80%	0.797	75%	0.749	S	S	*	*			trans	69.3	156.3	174.5	88.9	0	0	0	0	115.7
67	T	27.6	Very low	27.5	Very low	122 Å²	122	137.7 Å²	137.7	75%	0.748	75%	0.753	S	S	*	*			cis	-163.7	166.3	-20.2	16	0	0	0	0	110.3
68	R	29.7	Very low	27.7	Very low	217 Å²	217	135.9 Å²	135.9	82%	0.819	75%	0.751	S	S	*	*			trans	81.2	141	145.3	-92.5	-173.1	166.9	159.6	-3.3	121.9
69	N	28.9	Very low	28	Very low	123 Å²	123	132.1 Å²	132.1	66%	0.658	74%	0.743	S	S	*	*			trans	72.9	148	146.2	-66.2	24.6	0	0	0	118
70	N	28.1	Very low	28.2	Very low	97 Å²	97	132.2 Å²	132.2	52%	0.519	74%	0.743	S	S	.	*			cis	-158.4	154.9	-2.2	-120.5	21.3	0	0	0	111.8
71	E	30	Very low	28.3	Very low	170 Å²	170	131.4 Å²	131.4	79%	0.794	74%	0.738	S	S	*	*			trans	56	166.6	148.7	-68.5	142	-175.9	0	0	118.9
72	S	27.4	Very low	28.4	Very low	117 Å²	117	130 Å²	130	82%	0.818	73%	0.732	S	S	*	*			cis	-143.2	168.6	9	62.5	0	0	0	0	113.8
73	E	30.6	Very low	28.4	Very low	179 Å²	179	131 Å²	131	84%	0.836	73%	0.733	S	S	*	*			trans	-86.3	164.6	-174.7	-50.8	166.5	121.5	0	0	115.5
74	S	27.6	Very low	29.3	Very low	108 Å²	108	130.6 Å²	130.6	76%	0.755	73%	0.732	S	S	*	*				169	100.6	128.5	58.7	0	0	0	0	110.2
75	T	29.3	Very low	29.3	Very low	111 Å²	111	130.5 Å²	130.5	68%	0.681	73%	0.728	S	S	*	*				71.1	120.2	75.3	62.3	0	0	0	0	116.1
76	L	28.1	Very low	29.7	Very low	163 Å²	163	132.4 Å²	132.4	85%	0.853	74%	0.738	S	S	*	*			trans	164.4	157.1	132.7	-89.4	178	0	0	0	111
77	D	30.1	Very low	29.9	Very low	130 Å²	130	134.9 Å²	134.9	70%	0.695	73%	0.734	S	S	*	*				-162.3	-177.4	-75.3	-127.5	-50.6	0	0	0	110.8
78	L	32.5	Very low	30	Very low	144 Å²	144	135.7 Å²	135.7	75%	0.754	73%	0.73	S	S	*	*			trans	74.3	138.8	168.6	-56.8	125.9	0	0	0	117
79	E	31.4	Very low	29.9	Very low	146 Å²	146	130.8 Å²	130.8	68%	0.682	73%	0.728	S	S	*	*			cis	-163.9	148.2	-15.7	176.3	176.9	-104.5	0	0	106.9	F81	E79-F81 HydrophobicContact CG-CD1 4.43Å; E79-F81 HydrophobicContact CG-CD2 3.89Å; E79-F81 HydrophobicContact CG-CE1 4.17Å; E79-F81 HydrophobicContact CG-CE2 3.6Å; E79-F81 HydrophobicContact CG-CG 4.29Å; E79-F81 HydrophobicContact CG-CZ 3.74Å; E79-F81 WeakPolarHBondContact OE1-CZ 3.37Å; E79-F81 VanDerWaalsContact OE2-CE2 3.24Å; E79-F81 WeakPolarHBondContact OE2-CE2 3.26Å
80	G	29.8	Very low	29.7	Very low	68 Å²	68	134.5 Å²	134.5	70%	0.701	74%	0.741	S	S	*	*			cis	-141.3	-105	-5.6	0	0	0	0	0	108.6
81	F	29.1	Very low	29.6	Very low	145 Å²	145	133.3 Å²	133.3	64%	0.636	75%	0.751	S	S	*	*			cis	-176.3	156.1	-19.6	-109.6	-16.4	0	0	0	108	E79	E79-F81 HydrophobicContact CG-CD1 4.43Å; E79-F81 HydrophobicContact CG-CD2 3.89Å; E79-F81 HydrophobicContact CG-CE1 4.17Å; E79-F81 HydrophobicContact CG-CE2 3.6Å; E79-F81 HydrophobicContact CG-CG 4.29Å; E79-F81 HydrophobicContact CG-CZ 3.74Å; E79-F81 WeakPolarHBondContact OE1-CZ 3.37Å; E79-F81 VanDerWaalsContact OE2-CE2 3.24Å; E79-F81 WeakPolarHBondContact OE2-CE2 3.26Å
82	Q	27.2	Very low	29.5	Very low	150 Å²	150	133.6 Å²	133.6	70%	0.701	76%	0.757	S	S	*	*			cis	-141.3	-120.3	-7.9	-160.6	170.6	95.4	0	0	109.8
83	N	26.6	Very low	29.4	Very low	146 Å²	146	131.8 Å²	131.8	78%	0.781	75%	0.75	S	S	*	*			trans	-167.7	-175.4	-175.9	-116.8	-38.7	0	0	0	110.4
84	P	44.9	Very low	29.2	Very low	107 Å²	107	129.9 Å²	129.9	70%	0.695	75%	0.75	S	S	*	*			cis	-140	-167.4	29.1	40.4	-16.5	0	0	0	114.6
85	T	24.2	Very low	29.1	Very low	126 Å²	126	132 Å²	132	77%	0.773	75%	0.753	S	S	*	*			cis	-157.1	157.7	13.4	-26.7	0	0	0	0	111.5
86	A	32	Very low	28.9	Very low	97 Å²	97	133.5 Å²	133.5	80%	0.802	76%	0.756	S	S	*	*			trans	-151.4	143	162.3	0	0	0	0	0	112.9
87	K	32.5	Very low	29	Very low	166 Å²	166	132.2 Å²	132.2	72%	0.722	75%	0.75	S	S	*	*			trans	-168.3	156	176.8	-88	177.7	162.9	-82.7	0	107.1
88	E	29.6	Very low	29.2	Very low	140 Å²	140	134.7 Å²	134.7	65%	0.654	76%	0.755	S	S	*	*			cis	-161.8	139.1	-9.3	-113.6	162.5	168.2	0	0	111.3
89	C	27.3	Very low	29.3	Very low	114 Å²	114	131.4 Å²	131.4	77%	0.77	75%	0.748	S	S	*	*			trans	63.1	161	133.9	-67.8	0	0	0	0	126.7
90	E	25.5	Very low	29.2	Very low	201 Å²	201	131.4 Å²	131.4	94%	0.939	75%	0.753	S	S	*	*			trans	70.9	151.9	170.9	-53.9	-173.7	-168.4	0	0	117.9
91	G	26.3	Very low	29.6	Very low	71 Å²	71	134.8 Å²	134.8	73%	0.732	75%	0.754	S	S	*	*			cis	169.6	139.5	-11.9	0	0	0	0	0	115.1
92	L	27.9	Very low	29.8	Very low	176 Å²	176	134.8 Å²	134.8	92%	0.921	76%	0.761	S	S	*	*			trans	61.1	122.4	156.5	-78.6	154.9	0	0	0	124.8
93	A	25.6	Very low	30	Very low	80 Å²	80	130.3 Å²	130.3	66%	0.661	76%	0.755	S	S	*	*				74.9	165	128.4	0	0	0	0	0	124.6
94	T	25.8	Very low	30.3	Very low	138 Å²	138	132.5 Å²	132.5	85%	0.847	76%	0.76	S	S	*	*			trans	67.4	130.9	179.2	61	0	0	0	0	116.2
95	L	25.5	Very low	29.9	Very low	154 Å²	154	131.6 Å²	131.6	81%	0.806	76%	0.757	S	S	*	*			cis	81.2	144.2	11.1	-105.3	177.5	0	0	0	118.6
96	D	25.9	Very low	30.5	Very low	142 Å²	142	131.2 Å²	131.2	76%	0.759	75%	0.754	S	S	*	*			trans	62.7	125.4	-177.8	-57.4	-32.1	0	0	0	118.2
97	N	29.1	Very low	30.6	Very low	136 Å²	136	135.5 Å²	135.5	73%	0.727	76%	0.758	S	S	*	*			cis	96.8	132.6	4.8	-150.6	7.5	0	0	0	117.8
98	K	35.6	Very low	30.5	Very low	182 Å²	182	129.7 Å²	129.7	79%	0.791	75%	0.745	S	S	*	*			trans	64.3	165.2	175.8	-64	-168.5	176.3	-171.8	0	116.4
99	A	33.7	Very low	30.8	Very low	74 Å²	74	129.8 Å²	129.8	61%	0.612	76%	0.755	S	S	*	*			cis	-130.7	-172.6	5.6	0	0	0	0	0	110.3
100	D	29.7	Very low	31.1	Very low	147 Å²	147	133.1 Å²	133.1	79%	0.786	76%	0.76	S	S	*	*			cis	-111.6	-125.4	29	-61.3	-56.4	0	0	0	115.7
101	L	37.5	Very low	31.7	Very low	138 Å²	138	131.7 Å²	131.7	72%	0.723	75%	0.753	S	S	*	*			trans	-160.8	171.3	-141.7	-67.2	179	0	0	0	109
102	D	34.2	Very low	32	Very low	146 Å²	146	135.5 Å²	135.5	78%	0.781	76%	0.756	S	S	*	*			cis	-157.7	-174.9	-4.2	-123.7	-30.2	0	0	0	108.2
103	G	29.7	Very low	32.1	Very low	55 Å²	55	135.8 Å²	135.8	57%	0.567	75%	0.753	S	S	*	*			cis	170.7	177.7	-0.7	0	0	0	0	0	113
104	E	33.7	Very low	32.3	Very low	192 Å²	192	138.5 Å²	138.5	90%	0.897	76%	0.756	S	S	*	*			trans	57.1	143.2	166.8	-64.7	-170.1	151.1	0	0	119.3
105	S	36	Very low	32.5	Very low	89 Å²	89	136.6 Å²	136.6	62%	0.622	75%	0.748	S	S	*	*			cis	-167.8	155.9	-11.6	52.2	0	0	0	0	110.4
106	T	37	Very low	32.7	Very low	117 Å²	117	136.3 Å²	136.3	72%	0.718	75%	0.747	S	S	*	*			trans	46.6	130.1	156.6	57.1	0	0	0	0	119.8
107	E	34.6	Very low	32.8	Very low	187 Å²	187	137 Å²	137	87%	0.874	75%	0.751	S	S	*	*			cis	-169.9	-169	-7.5	-128.8	172.1	-84.3	0	0	106.3
108	G	30	Very low	32.8	Very low	45 Å²	45	137.8 Å²	137.8	46%	0.464	75%	0.749	S	S	.	*			cis	165.5	168.7	4.2	0	0	0	0	0	109.4
109	T	36.9	Very low	32.2	Very low	141 Å²	141	138.1 Å²	138.1	87%	0.865	75%	0.751	S	S	*	*			trans	60.7	171.4	-178.3	63.7	0	0	0	0	115.1
110	E	32.3	Very low	31.9	Very low	185 Å²	185	139.2 Å²	139.2	86%	0.864	75%	0.75	S	S	*	*			cis	-140.3	-165.1	3	-152.3	162.3	-134.8	0	0	110.6
111	E	39.5	Very low	31.6	Very low	171 Å²	171	140.4 Å²	140.4	80%	0.799	75%	0.751	S	S	*	*			trans	-144.3	165.9	-157.9	-153.5	177.4	-104.5	0	0	115.5
112	L	31.3	Very low	31.1	Very low	151 Å²	151	138.2 Å²	138.2	79%	0.791	75%	0.747	S	S	*	*			trans	93.6	153.8	161.5	-59.7	178	0	0	0	122.5
113	E	31.5	Very low	30.7	Very low	182 Å²	182	136.5 Å²	136.5	85%	0.85	74%	0.742	S	S	*	*			trans	-91.9	-173.7	-173.3	-57.7	173.4	120.1	0	0	110.8
114	D	28.2	Very low	30.6	Very low	136 Å²	136	142.7 Å²	142.7	73%	0.727	76%	0.756	S	S	*	*			cis	-179.8	-179	48.1	177.3	41.5	0	0	0	111.9
115	S	30.1	Very low	30.2	Very low	98 Å²	98	136.9 Å²	136.9	69%	0.685	75%	0.747	S	S	*	*			trans	95.8	107.4	150	-84.3	0	0	0	0	119
116	L	30.9	Very low	29.9	Very low	148 Å²	148	141.3 Å²	141.3	78%	0.775	76%	0.758	S	S	*	*			trans	-74.2	164.2	165.2	-60	104.4	0	0	0	112
117	N	28.1	Very low	29.3	Very low	158 Å²	158	141.7 Å²	141.7	85%	0.845	76%	0.76	S	S	*	*				-167.8	148.7	112.2	-102.4	-57.1	0	0	0	114.6
118	H	27.6	Very low	28.9	Very low	151 Å²	151	137.3 Å²	137.3	70%	0.699	75%	0.751	S	S	*	*			trans	-78.7	159.1	163.8	-98.1	-92.2	0	0	0	110.3
119	F	24.3	Very low	28.6	Very low	189 Å²	189	142.7 Å²	142.7	83%	0.829	76%	0.763	S	S	*	*				-177.3	166.3	101.8	-102.8	-71.9	0	0	0	113.8
120	T	25.8	Very low	28	Very low	97 Å²	97	143.2 Å²	143.2	60%	0.595	76%	0.758	S	S	*	*			trans	-109.5	-173.8	-176.4	44.2	0	0	0	0	111.3
121	H	25.1	Very low	27.8	Very low	173 Å²	173	141.6 Å²	141.6	80%	0.801	75%	0.754	S	S	*	*			trans	78.8	147.7	167	-67.6	-73.7	0	0	0	118
122	S	26.8	Very low	27.8	Very low	91 Å²	91	138.4 Å²	138.4	64%	0.636	75%	0.748	S	S	*	*			cis	-173.8	157.8	-20	-161.3	0	0	0	0	112.7
123	V	26.2	Very low	27.6	Very low	111 Å²	111	135.8 Å²	135.8	67%	0.673	74%	0.742	S	S	*	*			trans	78.2	139.8	140.8	141.3	0	0	0	0	121.4
124	Q	26.6	Very low	27.4	Very low	185 Å²	185	133.5 Å²	133.5	86%	0.864	74%	0.736	S	S	*	*			trans	61.1	143.1	164.2	-78.7	155.5	-17	0	0	119.2
125	G	26	Very low	27.7	Very low	69 Å²	69	134.9 Å²	134.9	71%	0.711	74%	0.738	S	S	*	*			cis	123.7	98	-18.7	0	0	0	0	0	116.8
126	Q	28.8	Very low	27.9	Very low	182 Å²	182	138.6 Å²	138.6	85%	0.85	75%	0.745	S	S	*	*			trans	-174.1	120.7	161.5	-102.9	170.3	-0.3	0	0	107.4
127	T	24.4	Very low	28	Very low	125 Å²	125	139.4 Å²	139.4	77%	0.767	74%	0.744	S	S	*	*				78.8	131	80.9	59.5	0	0	0	0	117.7
128	S	25.8	Very low	28.2	Very low	96 Å²	96	141.3 Å²	141.3	67%	0.671	75%	0.748	S	S	*	*			trans	91.1	115.8	158.7	-91.4	0	0	0	0	122.9
129	E	25.3	Very low	28.3	Very low	157 Å²	157	141 Å²	141	73%	0.734	75%	0.752	S	S	*	*				76.5	116.5	127.6	-70.3	162.9	123.1	0	0	123.8
130	M	23.7	Very low	28.7	Very low	153 Å²	153	139.9 Å²	139.9	75%	0.754	75%	0.754	S	S	*	*			trans	70.4	110.5	131.6	-65.6	-163.3	175.1	0	0	119.8
131	I	27.7	Very low	29	Very low	150 Å²	150	144.3 Å²	144.3	77%	0.769	77%	0.768	S	S	*	*				87.4	139.6	79.7	-83.9	173	0	0	0	112.3
132	P	40.3	Very low	29.4	Very low	105 Å²	105	144.9 Å²	144.9	68%	0.682	77%	0.771	S	S	*	*			cis	-131.2	-150.2	-9.6	38.6	-18	0	0	0	113.4
133	S	25.7	Very low	29.6	Very low	96 Å²	96	148.9 Å²	148.9	67%	0.671	78%	0.78	S	S	*	*			trans	90	134.6	158.2	67.7	0	0	0	0	121
134	D	28.5	Very low	29.8	Very low	133 Å²	133	152.9 Å²	152.9	71%	0.711	79%	0.791	S	S	*	*			cis	-162.9	149.5	-21.8	-92.2	-31.9	0	0	0	109.3
135	E	33.3	Very low	30.1	Very low	165 Å²	165	153.6 Å²	153.6	77%	0.771	80%	0.795	S	S	*	*			trans	51.5	157.8	152.4	-62	166.8	-173.4	0	0	119.4
136	E	34.8	Very low	30.4	Very low	177 Å²	177	159.2 Å²	159.2	83%	0.827	80%	0.802	S	S	*	*			cis	-125.6	139.9	7.3	-70	171.8	169.1	0	0	108
137	E	33.6	Very low	30.4	Very low	164 Å²	164	159.8 Å²	159.8	77%	0.766	81%	0.805	S	S	*	*				80.8	113	57.2	-62.6	-83.4	106.7	0	0	114.6
138	E	31.6	Very low	30.7	Very low	199 Å²	199	159.6 Å²	159.6	93%	0.93	80%	0.795	S	S	*	*			trans	-164	132.2	150.3	-125.4	177.9	-152.3	0	0	108.9
139	D	30.8	Very low	31.3	Very low	144 Å²	144	161.1 Å²	161.1	77%	0.77	80%	0.803	S	S	*	*			trans	-91.8	168.3	-158.8	-49.9	-93.4	0	0	0	117.7
140	D	31.9	Very low	31.6	Very low	166 Å²	166	163 Å²	163	89%	0.888	80%	0.803	S	S	*	*			trans	-169	167	147	-117.5	-17.1	0	0	0	115.6
141	E	32.3	Very low	31.7	Very low	189 Å²	189	164.1 Å²	164.1	88%	0.883	81%	0.812	S	S	*	*			trans	-76.3	155	-174.9	-57.8	177.2	155.4	0	0	115.9
142	E	33.3	Very low	31.6	Very low	186 Å²	186	162.5 Å²	162.5	87%	0.869	81%	0.809	S	S	*	*			cis	-133.2	-100	-13	-168.1	-178.4	-124.9	0	0	111.7
143	E	31.6	Very low	31	Very low	175 Å²	175	164 Å²	164	82%	0.818	81%	0.81	S	S	*	*			cis	-160	70.6	-5	-172.8	-172.1	-160.8	0	0	109.7
144	E	30.6	Very low	30.9	Very low	194 Å²	194	167.6 Å²	167.6	91%	0.907	82%	0.822	S	S	*	*			trans	-134.3	131.4	-180	-70.3	-162	162.1	0	0	116.6
145	E	32	Very low	30.8	Very low	201 Å²	201	169.6 Å²	169.6	94%	0.939	83%	0.826	S	S	*	*			trans	-126.2	130	160.8	-79.5	-168.4	148.5	0	0	110.3
146	E	31.9	Very low	30.5	Very low	187 Å²	187	173.5 Å²	173.5	87%	0.874	83%	0.834	S	S	*	*			trans	-92.8	153.8	164.3	-69.5	-162.8	144.3	0	0	111.3
147	E	28.8	Very low	30.2	Very low	194 Å²	194	173.6 Å²	173.6	91%	0.907	84%	0.835	S	S	*	*				-164.2	136.7	129.7	-93.8	-141.7	136.5	0	0	111.2
148	E	31.8	Very low	29.9	Very low	120 Å²	120	173.8 Å²	173.8	56%	0.561	84%	0.841	S	S	*	*			trans	-70.8	166.8	153.3	-90	-160	161	0	0	108.8	R150	E148-R150 VanDerWaalsContact CD-NE 3.32Å; E148-R150 IonicContact OE1-CZ 3.32Å; E148-R150 IonicContact OE1-NE 2.87Å; E148-R150 PolarHBondContact OE1-NE 2.87Å; E148-R150 IonicContact OE1-NH2 2.87Å; E148-R150 PolarHBondContact OE1-NH2 2.87Å; E148-R150 WeakPolarHBondContact OE2-CD 3.25Å; E148-R150 WeakPolarHBondContact OE2-CG 3.37Å; E148-R150 IonicContact OE2-CZ 3.9Å; E148-R150 IonicContact OE2-NE 2.95Å; E148-R150 PolarHBondContact OE2-NE 2.95Å
149	P	38.6	Very low	29.8	Very low	129 Å²	129	173.2 Å²	173.2	84%	0.838	84%	0.838	S	S	*	*				-138.2	137.3	112.9	35.4	-26.3	0	0	0	114.9
150	R	30.1	Very low	29.7	Very low	195 Å²	195	174.3 Å²	174.3	74%	0.736	84%	0.844	S	S	*	*			trans	-105.4	128.1	158.8	-60.8	170.9	-163.6	-150.8	-0.4	109.7	E148	E148-R150 VanDerWaalsContact CD-NE 3.32Å; E148-R150 IonicContact OE1-CZ 3.32Å; E148-R150 IonicContact OE1-NE 2.87Å; E148-R150 PolarHBondContact OE1-NE 2.87Å; E148-R150 IonicContact OE1-NH2 2.87Å; E148-R150 PolarHBondContact OE1-NH2 2.87Å; E148-R150 WeakPolarHBondContact OE2-CD 3.25Å; E148-R150 WeakPolarHBondContact OE2-CG 3.37Å; E148-R150 IonicContact OE2-CZ 3.9Å; E148-R150 IonicContact OE2-NE 2.95Å; E148-R150 PolarHBondContact OE2-NE 2.95Å
151	L	27.1	Very low	29.4	Very low	177 Å²	177	170 Å²	170	93%	0.927	84%	0.84	S	S	*	*			trans	-144.3	160.3	149.9	-87.6	-170.4	0	0	0	111.3
152	T	25.2	Very low	29.2	Very low	116 Å²	116	169.8 Å²	169.8	71%	0.712	84%	0.841	S	S	*	*			trans	-107.9	146	-156.3	45.9	0	0	0	0	114.9
153	I	27.6	Very low	29	Very low	138 Å²	138	164.9 Å²	164.9	71%	0.708	83%	0.832	S	S	*	*			trans	35.3	120.6	135.8	-52.1	172.7	0	0	0	117.3	Q155	I153-Q155 HydrophobicContact CG2-CG 4.32Å
154	N	23.6	Very low	29	Very low	171 Å²	171	164.3 Å²	164.3	91%	0.914	84%	0.835	S	S	*	*			trans	-132.7	130.9	136.4	-96.2	-62.7	0	0	0	109.2
155	Q	26.2	Very low	29	Very low	174 Å²	174	164 Å²	164	81%	0.813	83%	0.833	S	S	*	*			trans	-88.8	143.8	170.8	-66.9	168.7	-42.4	0	0	109.3	I153	I153-Q155 HydrophobicContact CG2-CG 4.32Å
156	R	27.1	Very low	29	Very low	247 Å²	247	162.4 Å²	162.4	93%	0.932	83%	0.831	S	S	*	*			trans	-142.2	136.4	144.8	-74.1	-159.7	176.1	-176.7	-1.4	109.7
157	E	28.7	Very low	29.1	Very low	180 Å²	180	162.7 Å²	162.7	84%	0.841	83%	0.832	S	S	*	*			trans	-86.1	152.9	165.9	-60.8	150.8	143.4	0	0	108.2
158	D	27.1	Very low	29.3	Very low	168 Å²	168	160.5 Å²	160.5	90%	0.898	83%	0.826	S	S	*	*			trans	-165.3	142	148.1	-94.3	-38.3	0	0	0	107.1
159	E	29.1	Very low	29.2	Very low	186 Å²	186	161.7 Å²	161.7	87%	0.869	84%	0.836	S	S	*	*			trans	-106.6	172.8	-170.8	-69	-173.1	118.4	0	0	113.9
160	D	28.1	Very low	29	Very low	167 Å²	167	161.8 Å²	161.8	89%	0.893	83%	0.83	S	S	*	*			trans	74.5	135	157.7	-94.8	-15.3	0	0	0	121.9
161	G	26.7	Very low	29	Very low	77 Å²	77	157.9 Å²	157.9	79%	0.794	83%	0.828	S	S	*	*			trans	162.9	90.9	176.3	0	0	0	0	0	112.9
162	M	27.4	Very low	29	Very low	184 Å²	184	159.5 Å²	159.5	91%	0.906	82%	0.823	S	S	*	*			trans	-75.3	158.5	-171.9	-75.9	-171	174.7	0	0	116.6
163	A	30	Very low	29.3	Very low	83 Å²	83	160 Å²	160	69%	0.686	83%	0.826	S	S	*	*			trans	75.7	140.7	152.5	0	0	0	0	0	117.7
164	N	30.3	Very low	29.3	Very low	163 Å²	163	156.1 Å²	156.1	87%	0.872	82%	0.82	S	S	*	*			cis	-135.3	173.8	23.7	-69.7	-90.1	0	0	0	113.5
165	E	32.5	Very low	29.8	Very low	186 Å²	186	154 Å²	154	87%	0.869	82%	0.819	S	S	*	*			trans	-77.3	147.9	169.9	-57.4	170.4	148.8	0	0	111.3
166	D	31.3	Very low	29.9	Very low	168 Å²	168	148.5 Å²	148.5	90%	0.898	81%	0.809	S	S	*	*			trans	-163.7	125.7	152.4	-106.9	-31.6	0	0	0	109.1
167	E	33.4	Very low	30.1	Very low	193 Å²	193	145 Å²	145	90%	0.902	81%	0.808	S	S	*	*			trans	-84.2	122	178.5	-65	-178.1	115.7	0	0	111.2
168	L	33.5	Very low	30.5	Very low	149 Å²	149	144.7 Å²	144.7	78%	0.78	81%	0.807	S	S	*	*			trans	-141.1	87.9	169.9	-75.9	-179.6	0	0	0	113.1	N170	L168-N170 PolarHBondContact O-ND2 2.99Å; L168-N170 VanDerWaalsContact O-ND2 3.1Å
169	D	30.6	Very low	30.7	Very low	145 Å²	145	145 Å²	145	78%	0.775	81%	0.809	S	S	*	*			trans	-53.5	136.5	160.2	178.5	17.8	0	0	0	110.6
170	N	33.3	Very low	30.8	Very low	130 Å²	130	140.5 Å²	140.5	70%	0.695	80%	0.804	S	S	*	*			trans	-145.4	70	-176.3	-88.8	-81.4	0	0	0	111.7	L168 Y172	L168-N170 PolarHBondContact O-ND2 2.99Å; L168-N170 VanDerWaalsContact O-ND2 3.1Å; N170-Y172 PolarHBondContact O-N 2.78Å; N170-Y172 VanDerWaalsContact O-N 3.17Å
171	T	30	Very low	30.9	Very low	113 Å²	113	141.3 Å²	141.3	69%	0.693	81%	0.807	S	S	*	*			trans	-64.9	106.8	164.2	-67.6	0	0	0	0	110.4	T173	T171-T173 PolarHBondContact O-N 3.14Å
172	Y	27.3	Very low	31.3	Very low	211 Å²	211	142.2 Å²	142.2	83%	0.827	80%	0.801	S	S	*	*			trans	-92	95.4	-179.1	-169.2	-99.1	0	0	0	113.2	N170	N170-Y172 PolarHBondContact O-N 2.78Å; N170-Y172 VanDerWaalsContact O-N 3.17Å
173	T	30.5	Very low	31.6	Very low	127 Å²	127	143 Å²	143	78%	0.779	80%	0.803	S	S	*	*			trans	-122.3	123	163.9	52.2	0	0	0	0	109.7	T171	T171-T173 PolarHBondContact O-N 3.14Å
174	G	28.8	Very low	31.8	Very low	57 Å²	57	147.2 Å²	147.2	59%	0.588	81%	0.808	S	S	*	*			trans	-177.9	91.2	179.3	0	0	0	0	0	116.3
175	S	34.4	Very low	31.8	Very low	127 Å²	127	147.7 Å²	147.7	89%	0.888	81%	0.81	S	S	*	*			trans	168.8	119.7	145.8	176	0	0	0	0	108.5
176	G	28	Very low	31.7	Very low	58 Å²	58	146.2 Å²	146.2	60%	0.598	81%	0.808	S	S	*	*			cis	135.4	102.2	-5	0	0	0	0	0	111
177	D	30.6	Very low	31.7	Very low	172 Å²	172	147.1 Å²	147.1	92%	0.92	81%	0.807	S	S	*	*			trans	-151.5	99.8	165.4	-95.7	-32.7	0	0	0	105.4
178	E	37.3	Very low	31.5	Very low	174 Å²	174	146 Å²	146	81%	0.813	81%	0.807	S	S	*	*			trans	-79.9	135.2	177.9	-58.3	-62.6	151.2	0	0	110.3
179	D	32.2	Very low	31.2	Very low	175 Å²	175	142.9 Å²	142.9	94%	0.936	81%	0.81	S	S	*	*			trans	-170.6	83.7	153.2	-110.2	-19.6	0	0	0	108.8
180	A	30.3	Very low	31.1	Very low	92 Å²	92	145.2 Å²	145.2	76%	0.76	82%	0.816	S	S	*	*			trans	-128.7	113	174.6	0	0	0	0	0	110
181	L	31.5	Very low	31	Very low	184 Å²	184	143.8 Å²	143.8	96%	0.963	82%	0.822	S	S	*	*			trans	-128.5	129.5	157.1	-75.2	178	0	0	0	108.1
182	S	34.3	Very low	31	Very low	96 Å²	96	142.9 Å²	142.9	67%	0.671	83%	0.826	S	S	*	*			trans	-87.8	142.2	-179.9	47.6	0	0	0	0	111
183	E	33.5	Very low	31	Very low	201 Å²	201	141.8 Å²	141.8	94%	0.939	83%	0.826	S	S	*	*			trans	-122.9	126.1	144.9	-71.5	-177.9	160.7	0	0	106.3
184	E	34.2	Very low	30.8	Very low	170 Å²	170	146.1 Å²	146.1	79%	0.794	83%	0.83	S	S	*	*			trans	-105.2	141.8	173.4	-64.3	175.4	-152.6	0	0	107
185	D	31.3	Very low	30.7	Very low	173 Å²	173	151.6 Å²	151.6	93%	0.925	84%	0.84	S	S	*	*			trans	-157.3	134.2	159.5	-105.4	-29.8	0	0	0	108.9
186	D	30.2	Very low	30.5	Very low	155 Å²	155	152.2 Å²	152.2	83%	0.829	83%	0.833	S	S	*	*			trans	-77.9	152.6	170.1	-80.2	-57	0	0	0	110.5
187	E	30.1	Very low	30.5	Very low	188 Å²	188	155.9 Å²	155.9	88%	0.879	84%	0.844	S	S	*	*				-171.5	166.6	110.7	-107	-159.7	141.2	0	0	115.1
188	L	30.9	Very low	30.5	Very low	170 Å²	170	155.9 Å²	155.9	89%	0.89	84%	0.835	S	S	*	*			trans	-80.7	155.3	-175.8	-61.6	151.6	0	0	0	112.3
189	G	26.5	Very low	30.2	Very low	82 Å²	82	155.7 Å²	155.7	85%	0.845	84%	0.835	S	S	*	*			trans	165.9	110.5	163.8	0	0	0	0	0	115.8
190	E	28.5	Very low	29.9	Very low	195 Å²	195	153.7 Å²	153.7	91%	0.911	83%	0.833	S	S	*	*			trans	-93.3	145.8	172.7	-72.2	-166.6	107.7	0	0	113.5
191	A	30.1	Very low	29.7	Very low	99 Å²	99	152.2 Å²	152.2	82%	0.818	83%	0.826	S	S	*	*			trans	37.9	130.9	149.8	0	0	0	0	0	120.4
192	A	29.9	Very low	30.2	Very low	94 Å²	94	153.7 Å²	153.7	78%	0.777	83%	0.825	S	S	*	*				-174.2	153.4	70.9	0	0	0	0	0	116.5
193	K	28.9	Very low	30.3	Very low	188 Å²	188	157.5 Å²	157.5	82%	0.817	83%	0.832	S	S	*	*			trans	-1.5	132.9	153.4	-50.5	169.3	-175.4	174.7	0	120
194	Y	25.6	Very low	30.4	Very low	219 Å²	219	153 Å²	153	86%	0.859	82%	0.818	S	S	*	*				-168.1	-175.9	99.9	-120.6	-88.4	0	0	0	113
195	E	27.4	Very low	30.4	Very low	171 Å²	171	154.1 Å²	154.1	80%	0.799	82%	0.823	S	S	*	*			trans	-101.8	159.9	-162.7	-61.5	-167.9	141	0	0	117.3
196	D	29.1	Very low	30.5	Very low	140 Å²	140	156.8 Å²	156.8	75%	0.749	82%	0.82	S	S	*	*			trans	37.5	132.6	148	-159.7	29.4	0	0	0	122.7
197	V	28.7	Very low	30.8	Very low	136 Å²	136	152.5 Å²	152.5	82%	0.824	81%	0.806	S	S	*	*				-174	152.3	128.3	140.4	0	0	0	0	110.8
198	K	30.3	Very low	31.2	Very low	171 Å²	171	149.6 Å²	149.6	74%	0.743	80%	0.796	S	S	*	*			trans	-79.2	142.1	-175.4	-94.5	-175.6	178.8	-178.6	0	116.7
199	E	30.2	Very low	31.4	Very low	170 Å²	170	149.2 Å²	149.2	79%	0.794	79%	0.794	S	S	*	*				83.3	146.5	128.2	-168.4	161.6	-156.3	0	0	121.8
200	C	25.8	Very low	32	Very low	134 Å²	134	150.9 Å²	150.9	91%	0.905	79%	0.787	S	S	*	*			trans	75.6	135.2	174.1	-153.9	0	0	0	0	118.1
201	G	26.9	Very low	32.4	Very low	60 Å²	60	149 Å²	149	62%	0.619	78%	0.778	S	S	*	*			trans	162.6	24	179.8	0	0	0	0	0	119.6	H203	G201-H203 VanDerWaalsContact C-N 3.26Å; G201-H203 PolarHBondContact O-N 3.33Å
202	K	42.3	Very low	32.6	Very low	215 Å²	215	151 Å²	151	94%	0.935	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	61.9	179.8	-75.7	-171.6	174.9	179.4	0	114
203	H	36.4	Very low	32.9	Very low	177 Å²	177	153.7 Å²	153.7	82%	0.819	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-157.3	17.4	175.6	-137.2	-84.5	0	0	0	119.9	G201	G201-H203 VanDerWaalsContact C-N 3.26Å; G201-H203 PolarHBondContact O-N 3.33Å
204	V	34.3	Very low	33.5	Very low	107 Å²	107	153.9 Å²	153.9	65%	0.648	78%	0.777	S	S	*	*			trans	-113.6	-5.6	-172.7	-157.5	0	0	0	0	115.2	R206	V204-R206 VanDerWaalsContact C-N 3.25Å; V204-R206 PolarHBondContact O-N 3.32Å
205	E	34.3	Very low	33.9	Very low	193 Å²	193	150.1 Å²	150.1	90%	0.902	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	1.7	-175.5	-146.9	169.9	-164.2	0	0	114.7
206	R	33.2	Very low	34	Very low	229 Å²	229	147.4 Å²	147.4	86%	0.864	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.7	-6	-179.1	-154	174.5	-172.4	170.4	3.5	114.6	V204	V204-R206 VanDerWaalsContact C-N 3.25Å; V204-R206 PolarHBondContact O-N 3.32Å
207	A	38	Very low	34.2	Very low	64 Å²	64	148.2 Å²	148.2	53%	0.529	77%	0.774	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90	-50.9	-177.9	0	0	0	0	0	112.7	L209 V210	A207-L209 PolarHBondContact O-N 3.48Å; A207-V210 PolarHBondContact O-N 2.93Å
208	L	37.5	Very low	34.4	Very low	128 Å²	128	150.7 Å²	150.7	67%	0.67	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	-14.1	-172	-71.6	166.4	0	0	0	115.1	V210	L208-V210 PolarHBondContact O-N 3.34Å
209	L	35.8	Very low	34.5	Very low	162 Å²	162	150.8 Å²	150.8	85%	0.848	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	-2.5	178.2	-139.3	83.5	0	0	0	114.1	A207	A207-L209 PolarHBondContact O-N 3.48Å
210	V	38.4	Very low	34.7	Very low	116 Å²	116	151.3 Å²	151.3	70%	0.703	78%	0.779	S	S	*	*	S	Bend	trans	-100.5	-19.9	-175.1	-177	0	0	0	0	112.4	A207 L208	A207-V210 PolarHBondContact O-N 2.93Å; L208-V210 PolarHBondContact O-N 3.34Å
211	E	37.3	Very low	35	Very low	155 Å²	155	152 Å²	152	72%	0.724	77%	0.774	S	S	*	*	G	3₁₀ helix	trans	-95	-17.4	-162.3	-150.8	136.9	-131.7	0	0	114.4	N213	E211-N213 VanDerWaalsContact C-N 3.28Å; E211-N213 PolarHBondContact O-N 3.31Å
212	L	33.9	Very low	35.4	Very low	141 Å²	141	155.6 Å²	155.6	74%	0.738	78%	0.783	S	S	*	*	G	3₁₀ helix	trans	-75.6	-7.4	178.9	-80.4	166.5	0	0	0	115	K214	L212-K214 PolarHBondContact O-N 3.47Å
213	N	36.2	Very low	34.9	Very low	151 Å²	151	151.3 Å²	151.3	81%	0.807	78%	0.779	S	S	*	*	G	3₁₀ helix	trans	-84.7	16	178.2	-88.4	20	0	0	0	113.9	E211	E211-N213 VanDerWaalsContact C-N 3.28Å; E211-N213 PolarHBondContact O-N 3.31Å
214	K	41.6	Very low	34.9	Very low	193 Å²	193	151.8 Å²	151.8	84%	0.839	78%	0.781	S	S	*	*			trans	-140.5	64.4	179.5	-73.7	-169.7	176.3	179.9	0	113.8	L212	L212-K214 PolarHBondContact O-N 3.47Å
215	I	33.8	Very low	34.9	Very low	139 Å²	139	156 Å²	156	71%	0.713	79%	0.794	S	S	*	*			trans	-117.7	103.6	157.9	-57.6	-179.7	0	0	0	107.5	L217	I215-L217 HydrophobicContact CG2-CD2 4.42Å
216	S	30.1	Very low	35.2	Very low	115 Å²	115	155.3 Å²	155.3	80%	0.804	79%	0.788	S	S	*	*			trans	-108.4	115.5	169.5	-174.7	0	0	0	0	107.3
217	L	34.1	Very low	35.4	Very low	156 Å²	156	151.4 Å²	151.4	82%	0.817	79%	0.785	S	S	*	*			trans	-73.9	128.3	179.9	-67.4	172.5	0	0	0	109.4	I215	I215-L217 HydrophobicContact CG2-CD2 4.42Å
218	K	30.9	Very low	35.4	Very low	188 Å²	188	153.7 Å²	153.7	82%	0.817	80%	0.797	S	S	*	*			trans	-92.5	121.7	166.7	-69.3	-177.7	176	-174.7	0	108.4
219	E	34.3	Very low	36	Very low	174 Å²	174	153.5 Å²	153.5	81%	0.813	80%	0.803	S	S	*	*			trans	-108.1	124.5	156.4	-68.2	-172	151	0	0	108
220	E	33.7	Very low	36.3	Very low	181 Å²	181	152.2 Å²	152.2	85%	0.846	80%	0.801	S	S	*	*			trans	-85.4	118.5	174.4	-64.4	-174.2	157.8	0	0	108.5
221	N	32.1	Very low	37	Very low	149 Å²	149	153.5 Å²	153.5	80%	0.797	81%	0.805	S	S	*	*			trans	-118.4	129.6	175.4	-109.6	-55.9	0	0	0	110.1
222	V	35.5	Very low	37.7	Very low	135 Å²	135	154.5 Å²	154.5	82%	0.818	81%	0.809	S	S	*	*			trans	-101.2	115.3	-176.5	176.2	0	0	0	0	110.1
223	C	30.6	Very low	38.7	Very low	124 Å²	124	151.5 Å²	151.5	84%	0.838	80%	0.8	S	S	*	*			trans	-168.1	148.9	133.8	-114.8	0	0	0	0	111.2
224	E	37.8	Very low	39.6	Very low	187 Å²	187	150.5 Å²	150.5	87%	0.874	80%	0.795	S	S	*	*			trans	-82.8	139.4	169.3	-57.7	-171.3	138.7	0	0	110.2
225	E	34.9	Very low	40.7	Very low	195 Å²	195	148.6 Å²	148.6	91%	0.911	79%	0.787	S	S	*	*				-163.1	171.4	119.2	-113.5	-176	179.1	0	0	111.9
226	K	40.2	Very low	42.2	Very low	180 Å²	180	150.9 Å²	150.9	78%	0.783	79%	0.792	S	S	*	*			trans	-102.9	143.1	-168.6	-62.3	159.4	-176	157.5	0	111.1
227	N	36.1	Very low	44.2	Very low	147 Å²	147	155.1 Å²	155.1	79%	0.786	79%	0.792	S	S	*	*				165	127.7	114	-82.4	-39.8	0	0	0	113.5
228	S	38.8	Very low	46.2	Very low	112 Å²	112	155.5 Å²	155.5	78%	0.783	79%	0.789	S	S	*	*			trans	39.9	144.6	147.3	56.2	0	0	0	0	122.8
229	P	50.3	Low	48.4	Very low	124 Å²	124	155.1 Å²	155.1	81%	0.805	79%	0.788	S	S	*	*			trans	-91.8	150.4	-160.6	36.7	-37.1	0	0	0	115.9
230	V	41.2	Very low	50.5	Low	134 Å²	134	148.4 Å²	148.4	81%	0.812	76%	0.76	S	S	*	*			trans	-135.1	129.9	151.1	179.7	0	0	0	0	109.2	Q232	V230-Q232 PolarHBondContact O-N 2.99Å
231	D	53.3	Low	52.3	Low	144 Å²	144	147.3 Å²	147.3	77%	0.77	75%	0.753	S	S	*	*			trans	-22.5	115.2	170	-167.9	12	0	0	0	116.1
232	Q	51.9	Low	54.4	Low	175 Å²	175	146 Å²	146	82%	0.818	75%	0.745	S	S	*	*			trans	-129.2	129.8	158.3	-70.2	-168	2.1	0	0	108.4	V230 D234	V230-Q232 PolarHBondContact O-N 2.99Å; Q232-D234 PolarHBondContact O-N 2.81Å
233	S	55.6	Low	56.4	Low	79 Å²	79	145.6 Å²	145.6	55%	0.552	74%	0.737	S	S	*	*			trans	-77.4	114.1	177.7	-45.9	0	0	0	0	109.7	F235	S233-F235 WeakPolarHBondContact O-CD2 3.33Å; S233-F235 PolarHBondContact O-N 3Å
234	D	54	Low	58.6	Low	130 Å²	130	146.6 Å²	146.6	70%	0.695	73%	0.727	S	S	*	*			trans	-65.3	94.7	176.5	-75.1	-36.9	0	0	0	111	Q232 F236	Q232-D234 PolarHBondContact O-N 2.81Å; D234-F236 HydrophobicContact CB-CD2 4.23Å; D234-F236 HydrophobicContact CB-CE2 3.54Å; D234-F236 HydrophobicContact CB-CZ 3.89Å; D234-F236 WeakPolarHBondContact O-CD2 3.34Å; D234-F236 PolarHBondContact O-N 2.8Å; D234-F236 VanDerWaalsContact O-N 3.11Å
235	F	65.4	Low	60.5	Low	153 Å²	153	139.7 Å²	139.7	67%	0.671	70%	0.698	S	S	*	*			trans	-78.3	91.9	175	-71	-76	0	0	0	110.4	S233 Y237	S233-F235 WeakPolarHBondContact O-CD2 3.33Å; S233-F235 PolarHBondContact O-N 3Å; F235-Y237 HydrophobicContact CB-CD2 4.48Å; F235-Y237 HydrophobicContact CB-CE2 3.8Å; F235-Y237 WeakPolarHBondContact O-CD2 3.37Å; F235-Y237 WeakPolarHBondContact O-CE2 3.34Å; F235-Y237 PolarHBondContact O-N 3.17Å
236	F	65.9	Low	62.5	Low	186 Å²	186	139.3 Å²	139.3	82%	0.816	69%	0.693	S	S	*	*			trans	-70.4	108.4	173.7	-65.1	-83.3	0	0	0	111.4	D234	D234-F236 HydrophobicContact CB-CD2 4.23Å; D234-F236 HydrophobicContact CB-CE2 3.54Å; D234-F236 HydrophobicContact CB-CZ 3.89Å; D234-F236 WeakPolarHBondContact O-CD2 3.34Å; D234-F236 PolarHBondContact O-N 2.8Å; D234-F236 VanDerWaalsContact O-N 3.11Å
237	Y	71.8	Confident	64	Low	204 Å²	204	133.2 Å²	133.2	80%	0.8	68%	0.682	S	S	*	*			trans	-89.8	108.5	174.2	-66.5	-87	0	0	0	110.9	F235	F235-Y237 HydrophobicContact CB-CD2 4.48Å; F235-Y237 HydrophobicContact CB-CE2 3.8Å; F235-Y237 WeakPolarHBondContact O-CD2 3.37Å; F235-Y237 WeakPolarHBondContact O-CE2 3.34Å; F235-Y237 PolarHBondContact O-N 3.17Å
238	E	75.5	Confident	65.6	Low	165 Å²	165	134.1 Å²	134.1	77%	0.771	68%	0.678	S	S	*	*			trans	-95.9	134.2	173.7	-169.1	-170.7	173.3	0	0	111.5	S240	E238-S240 PolarHBondContact O-N 2.74Å
239	F	76.9	Confident	67	Low	179 Å²	179	133.3 Å²	133.3	79%	0.785	67%	0.673	S	S	*	*			trans	-74.5	65.9	174.8	-83.4	-85.9	0	0	0	112.9	K241 F244	F239-K241 PolarHBondContact O-N 3.46Å; F239-F244 HydrophobicContact CB-CE2 4.45Å; F239-F244 AromaticContact CD1-CE2 3.65Å; F239-F244 HydrophobicContact CD1-CE2 3.65Å; F239-F244 AromaticContact CD1-CZ 3.82Å; F239-F244 HydrophobicContact CD1-CZ 3.82Å; F239-F244 HydrophobicContact CE1-CE2 4.38Å; F239-F244 HydrophobicContact CE1-CZ 4.08Å; F239-F244 HydrophobicContact CG-CE2 4.43Å
240	S	79.1	Confident	68	Low	33 Å²	33	132.1 Å²	132.1	23%	0.231	67%	0.665	C	S	.	*			trans	-68.6	102.2	179.8	-174.6	0	0	0	0	112.1	E238 L242 I243 F244	E238-S240 PolarHBondContact O-N 2.74Å; S240-L242 PolarHBondContact O-N 2.97Å; S240-I243 WeakPolarHBondContact O-CB 3.45Å; S240-I243 PolarHBondContact O-N 3.15Å; S240-F244 VanDerWaalsContact O-CD2 3.29Å; S240-F244 WeakPolarHBondContact O-CD2 3.21Å; S240-F244 PolarHBondContact O-N 3.48Å
241	K	71.1	Confident	69.7	Low	158 Å²	158	129.8 Å²	129.8	69%	0.687	65%	0.652	S	S	*	*	H	α-helix	trans	-49.5	-31.8	173.2	-175.4	173.5	-177.4	172.2	0	112.9	F239 T245	F239-K241 PolarHBondContact O-N 3.46Å; K241-T245 HydrophobicContact CG-CG2 4.31Å; K241-T245 WeakPolarHBondContact O-CB 3.2Å; K241-T245 WeakPolarHBondContact O-CG2 3.42Å; K241-T245 PolarHBondContact O-N 3.48Å; K241-T245 VanDerWaalsContact O-N 3.09Å; K241-T245 PolarHBondContact O-OG1 3.29Å
242	L	76.4	Confident	70.9	Confident	121 Å²	121	126.4 Å²	126.4	63%	0.634	64%	0.636	S	S	*	*	H	α-helix	trans	-66.1	-40	176.9	-171	70.4	0	0	0	112.2	S240 K246 G247	S240-L242 PolarHBondContact O-N 2.97Å; L242-K246 VanDerWaalsContact O-CA 3.22Å; L242-K246 WeakPolarHBondContact O-CA 3.22Å; L242-K246 PolarHBondContact O-N 3.21Å; L242-G247 PolarHBondContact O-N 2.69Å
243	I	77.5	Confident	72.2	Confident	127 Å²	127	121.5 Å²	121.5	65%	0.651	62%	0.617	S	S	*	*	H	α-helix	trans	-68.2	-51.3	178.5	-63.5	179.6	0	0	0	110.2	S240 T245 K246	S240-I243 WeakPolarHBondContact O-CB 3.45Å; S240-I243 PolarHBondContact O-N 3.15Å; I243-T245 VanDerWaalsContact C-N 3.34Å; I243-T245 PolarHBondContact O-N 2.92Å; I243-K246 PolarHBondContact O-N 2.73Å
244	F	77.1	Confident	73.4	Confident	145 Å²	145	117.7 Å²	117.7	64%	0.636	59%	0.591	S	S	*	*	H	α-helix	trans	-61.4	-39.4	-179.6	-69.8	-73.9	0	0	0	113.1	F239 S240	F239-F244 HydrophobicContact CB-CE2 4.45Å; F239-F244 AromaticContact CD1-CE2 3.65Å; F239-F244 HydrophobicContact CD1-CE2 3.65Å; F239-F244 AromaticContact CD1-CZ 3.82Å; F239-F244 HydrophobicContact CD1-CZ 3.82Å; F239-F244 HydrophobicContact CE1-CE2 4.38Å; F239-F244 HydrophobicContact CE1-CZ 4.08Å; F239-F244 HydrophobicContact CG-CE2 4.43Å; S240-F244 VanDerWaalsContact O-CD2 3.29Å; S240-F244 WeakPolarHBondContact O-CD2 3.21Å; S240-F244 PolarHBondContact O-N 3.48Å
245	T	78.5	Confident	74.2	Confident	43 Å²	43	114.5 Å²	114.5	26%	0.264	58%	0.579	S	S	.	*	H	α-helix	trans	-91.7	-13.3	-177.2	62.4	0	0	0	0	114.6	K241 I243 G247 K248	K241-T245 HydrophobicContact CG-CG2 4.31Å; K241-T245 WeakPolarHBondContact O-CB 3.2Å; K241-T245 WeakPolarHBondContact O-CG2 3.42Å; K241-T245 PolarHBondContact O-N 3.48Å; K241-T245 VanDerWaalsContact O-N 3.09Å; K241-T245 PolarHBondContact O-OG1 3.29Å; I243-T245 VanDerWaalsContact C-N 3.34Å; I243-T245 PolarHBondContact O-N 2.92Å; T245-G247 PolarHBondContact O-N 2.88Å; T245-G247 PolarHBondContact OG1-N 3.3Å; T245-K248 WeakPolarHBondContact CB-O 3.47Å; T245-K248 WeakPolarHBondContact O-CB 3.43Å; T245-K248 PolarHBondContact O-N 2.84Å
246	K	76.3	Confident	74.3	Confident	186 Å²	186	109.5 Å²	109.5	81%	0.809	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	49.1	38.3	-166.2	-58.3	-176.9	-180	179.9	0	112.5	L242 I243 K248	L242-K246 VanDerWaalsContact O-CA 3.22Å; L242-K246 WeakPolarHBondContact O-CA 3.22Å; L242-K246 PolarHBondContact O-N 3.21Å; I243-K246 PolarHBondContact O-N 2.73Å; K246-K248 VanDerWaalsContact C-N 3.28Å; K246-K248 PolarHBondContact O-N 2.99Å
247	G	71.4	Confident	74.6	Confident	52 Å²	52	101.7 Å²	101.7	54%	0.536	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	1.5	-176.6	0	0	0	0	0	115.7	L242 T245 S249	L242-G247 PolarHBondContact O-N 2.69Å; T245-G247 PolarHBondContact O-N 2.88Å; T245-G247 PolarHBondContact OG1-N 3.3Å; G247-S249 PolarHBondContact O-N 2.8Å
248	K	69.5	Low	74.7	Confident	166 Å²	166	98.5 Å²	98.5	72%	0.722	52%	0.517	S	S	*	.			trans	-94.3	95.5	178.3	-59.2	-176.8	-180	-176.2	0	111.3	T245 K246	T245-K248 WeakPolarHBondContact CB-O 3.47Å; T245-K248 WeakPolarHBondContact O-CB 3.43Å; T245-K248 PolarHBondContact O-N 2.84Å; K246-K248 VanDerWaalsContact C-N 3.28Å; K246-K248 PolarHBondContact O-N 2.99Å
249	S	67.4	Low	74.9	Confident	95 Å²	95	96.6 Å²	96.6	66%	0.664	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-52.5	138	166.3	52.1	0	0	0	0	111	G247 T251	G247-S249 PolarHBondContact O-N 2.8Å; S249-T251 PolarHBondContact O-N 3.43Å
250	P	71.8	Confident	75.2	Confident	99 Å²	99	94.6 Å²	94.6	64%	0.643	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-59.1	138.2	172.2	26.4	-34.4	0	0	0	109.8	V252	P250-V252 PolarHBondContact O-N 2.81Å; P250-V252 VanDerWaalsContact O-N 3.16Å
251	T	76.6	Confident	75.3	Confident	86 Å²	86	96.4 Å²	96.4	53%	0.528	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-60	118.1	-180	-56.7	0	0	0	0	110.3	S249 V253 E260	S249-T251 PolarHBondContact O-N 3.43Å; T251-V253 HydrophobicContact CG2-CG2 4.07Å; T251-V253 PolarHBondContact O-N 3.39Å; T251-E260 HydrophobicContact CG2-CB 3.87Å; T251-E260 VanDerWaalsContact CG2-CD 3.4Å; T251-E260 HydrophobicContact CG2-CG 3.61Å
252	V	79.3	Confident	75.9	Confident	72 Å²	72	90.4 Å²	90.4	44%	0.436	50%	0.495	S	S	.	.			trans	-71.9	98.6	174.8	-177.8	0	0	0	0	108.5	P250 E260 G261 L263	P250-V252 PolarHBondContact O-N 2.81Å; P250-V252 VanDerWaalsContact O-N 3.16Å; V252-E260 CarbonylContact O-C 3.44Å; V252-E260 WeakPolarHBondContact O-CA 3.42Å; V252-G261 PolarHBondContact O-N 3Å; V252-L263 HydrophobicContact CG1-CD2 3.67Å; V252-L263 HydrophobicContact CG1-CG 4.09Å
253	V	80	Confident	76.1	Confident	72 Å²	72	89 Å²	89	44%	0.436	49%	0.487	S	S	.	.	B	Isolated β-bridge	trans	-94	124.8	175.1	-178.8	0	0	0	0	109.3	T251 S255 K258 E260	T251-V253 HydrophobicContact CG2-CG2 4.07Å; T251-V253 PolarHBondContact O-N 3.39Å; V253-S255 PolarHBondContact O-N 2.88Å; V253-K258 HydrophobicContact CG1-CD 4.46Å; V253-E260 HydrophobicContact CG2-CG 4.45Å
254	C	79.5	Confident	75.9	Confident	0 Å²	0	88.4 Å²	88.4	0%	0	48%	0.48	C	S	.	.			trans	-65.5	123.4	178.7	179.9	0	0	0	0	111.1	L256 K258 R259 H262	C254-L256 PolarHBondContact O-N 3.21Å; C254-K258 WeakPolarHBondContact O-CA 3.47Å; C254-K258 PolarHBondContact O-N 2.97Å; C254-R259 WeakPolarHBondContact CB-O 3.32Å; C254-R259 PolarHBondContact N-O 3.07Å; C254-H262 WeakPolarHBondContact CA-O 3.38Å; C254-H262 VanDerWaalsContact CB-NE2 3.32Å; C254-H262 WeakPolarHBondContact CB-NE2 3.3Å; C254-H262 WeakPolarHBondContact CB-O 3.24Å; C254-H262 PolarHBondContact N-O 2.76Å; C254-H262 PolarHBondContact SG-NE2 2.71Å; C254-H262 VanDerWaalsContact SG-NE2 3.43Å
255	S	72.3	Confident	75.6	Confident	63 Å²	63	87.5 Å²	87.5	44%	0.441	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-16.2	-178.1	62.8	0	0	0	0	114	V253 R583	V253-S255 PolarHBondContact O-N 2.88Å; S255-R583 PolarHBondContact O-NH1 3.45Å
256	L	65.8	Low	75.4	Confident	48 Å²	48	88.8 Å²	88.8	25%	0.251	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-74.8	170.7	-66.9	179.4	0	0	0	112.1	C254 K264 C267 D270 R583	C254-L256 PolarHBondContact O-N 3.21Å; L256-K264 HydrophobicContact CD1-CG 3.89Å; L256-K264 HydrophobicContact CD2-CD 4.24Å; L256-K264 HydrophobicContact CD2-CG 4.42Å; L256-K264 HydrophobicContact CG-CB 4.32Å; L256-K264 HydrophobicContact CG-CD 4.16Å; L256-K264 HydrophobicContact CG-CG 3.82Å; L256-C267 HydrophobicContact CB-CB 4.44Å; L256-C267 HydrophobicContact CD1-CB 3.91Å; L256-D270 HydrophobicContact CD1-CB 3.68Å; L256-R583 PolarHBondContact O-NH1 2.93Å; L256-R583 VanDerWaalsContact O-NH1 3.14Å
257	C	72.1	Confident	75.2	Confident	22 Å²	22	80 Å²	80	15%	0.149	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-7	-170.9	67.6	0	0	0	0	115.4	R259 H262 E269	C257-R259 PolarHBondContact O-N 2.75Å; C257-R259 VanDerWaalsContact O-N 3.12Å; C257-R259 PolarHBondContact SG-N 3.25Å; C257-H262 PolarHBondContact SG-CE1 2.87Å; C257-H262 PolarHBondContact SG-NE2 2.94Å; C257-E269 HydrophobicContact CB-CB 4.13Å; C257-E269 HydrophobicContact CB-CG 4.2Å; C257-E269 WeakPolarHBondContact CB-OE1 3.41Å; C257-E269 WeakPolarHBondContact CB-OE2 3.4Å
258	K	74.7	Confident	75	Confident	136 Å²	136	81.9 Å²	81.9	59%	0.591	45%	0.446	S	S	*	.			trans	60.5	14.7	-176.9	-55.4	-64.9	-173.9	166.6	0	115.2	V253 C254	V253-K258 HydrophobicContact CG1-CD 4.46Å; C254-K258 WeakPolarHBondContact O-CA 3.47Å; C254-K258 PolarHBondContact O-N 2.97Å
259	R	78.8	Confident	74.8	Confident	125 Å²	125	77.1 Å²	77.1	47%	0.472	43%	0.426	S	S	.	.			trans	-84.2	153.5	168.1	-59.5	-170.4	-85.5	147.8	-13.4	110.8	C254 C257 E269	C254-R259 WeakPolarHBondContact CB-O 3.32Å; C254-R259 PolarHBondContact N-O 3.07Å; C257-R259 PolarHBondContact O-N 2.75Å; C257-R259 VanDerWaalsContact O-N 3.12Å; C257-R259 PolarHBondContact SG-N 3.25Å; R259-E269 IonicContact CZ-OE1 3.5Å; R259-E269 IonicContact NE-OE1 2.79Å; R259-E269 PolarHBondContact NE-OE1 3.46Å; R259-E269 IonicContact NH2-OE1 3.33Å; R259-E269 PolarHBondContact NH2-OE1 2.98Å
260	E	85	Confident	74.8	Confident	137 Å²	137	74 Å²	74	64%	0.64	40%	0.402	S	S	*	.	B	Isolated β-bridge	trans	-78.2	167	-179.8	-53.8	-173.7	170.7	0	0	112.3	T251 V252 V253 H262	T251-E260 HydrophobicContact CG2-CB 3.87Å; T251-E260 VanDerWaalsContact CG2-CD 3.4Å; T251-E260 HydrophobicContact CG2-CG 3.61Å; V252-E260 CarbonylContact O-C 3.44Å; V252-E260 WeakPolarHBondContact O-CA 3.42Å; V253-E260 HydrophobicContact CG2-CG 4.45Å; E260-H262 PolarHBondContact O-ND1 3.2Å
261	G	80.9	Confident	74.4	Confident	71 Å²	71	71.7 Å²	71.7	73%	0.732	38%	0.382	S	S	*	.	S	Bend	trans	86	1.6	166	0	0	0	0	0	116.7	V252	V252-G261 PolarHBondContact O-N 3Å
262	H	84	Confident	73.6	Confident	33 Å²	33	73 Å²	73	15%	0.153	38%	0.38	C	S	.	.			trans	-153.4	156.2	178.8	65.1	-78.9	0	0	0	113.6	C254 C257 E260 D266 C267	C254-H262 WeakPolarHBondContact CA-O 3.38Å; C254-H262 VanDerWaalsContact CB-NE2 3.32Å; C254-H262 WeakPolarHBondContact CB-NE2 3.3Å; C254-H262 WeakPolarHBondContact CB-O 3.24Å; C254-H262 PolarHBondContact N-O 2.76Å; C254-H262 PolarHBondContact SG-NE2 2.71Å; C254-H262 VanDerWaalsContact SG-NE2 3.43Å; C257-H262 PolarHBondContact SG-CE1 2.87Å; C257-H262 PolarHBondContact SG-NE2 2.94Å; E260-H262 PolarHBondContact O-ND1 3.2Å; H262-D266 PolarHBondContact CD2-O 2.96Å; H262-C267 VanDerWaalsContact CD2-CA 3.46Å; H262-C267 WeakPolarHBondContact CD2-CA 3.36Å; H262-C267 PolarHBondContact NE2-SG 3.42Å; H262-C267 VanDerWaalsContact NE2-SG 3.37Å
263	L	80.4	Confident	72.6	Confident	91 Å²	91	76.4 Å²	76.4	48%	0.476	39%	0.385	S	S	.	.			trans	-85	163.7	176.8	-67.6	170.1	0	0	0	111.5	V252 K265 D266 C267	V252-L263 HydrophobicContact CG1-CD2 3.67Å; V252-L263 HydrophobicContact CG1-CG 4.09Å; L263-K265 VanDerWaalsContact C-N 3.26Å; L263-K265 HydrophobicContact CB-CG 3.96Å; L263-K265 PolarHBondContact O-N 2.98Å; L263-D266 CarbonylContact O-C 3.51Å; L263-D266 PolarHBondContact O-N 2.77Å; L263-C267 PolarHBondContact O-N 3.27Å
264	K	72.6	Confident	72.2	Confident	115 Å²	115	76.5 Å²	76.5	50%	0.5	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-47.6	-47.6	174.3	160.6	166.2	179.2	-172.9	0	112.7	L256 D266 C267	L256-K264 HydrophobicContact CD1-CG 3.89Å; L256-K264 HydrophobicContact CD2-CD 4.24Å; L256-K264 HydrophobicContact CD2-CG 4.42Å; L256-K264 HydrophobicContact CG-CB 4.32Å; L256-K264 HydrophobicContact CG-CD 4.16Å; L256-K264 HydrophobicContact CG-CG 3.82Å; K264-D266 PolarHBondContact O-N 3.35Å; K264-C267 VanDerWaalsContact O-CB 3.31Å; K264-C267 WeakPolarHBondContact O-CB 3.37Å; K264-C267 PolarHBondContact O-N 3.18Å
265	K	71	Confident	72.2	Confident	126 Å²	126	85.5 Å²	85.5	55%	0.548	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-55.5	-39	179.3	47.8	159.7	-177.1	175.2	0	112	L263 C267 R273	L263-K265 VanDerWaalsContact C-N 3.26Å; L263-K265 HydrophobicContact CB-CG 3.96Å; L263-K265 PolarHBondContact O-N 2.98Å; K265-C267 PolarHBondContact O-N 3.2Å; K265-R273 WeakPolarHBondContact O-CD 3.43Å; K265-R273 PolarHBondContact O-NE 3.35Å; K265-R273 PolarHBondContact O-NH1 3Å; K265-R273 PolarHBondContact O-NH2 3.17Å
266	D	74.8	Confident	73.1	Confident	69 Å²	69	84.7 Å²	84.7	37%	0.369	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-102.5	31.9	-171.1	-52.9	-47.8	0	0	0	112.1	H262 L263 K264 R273	H262-D266 PolarHBondContact CD2-O 2.96Å; L263-D266 CarbonylContact O-C 3.51Å; L263-D266 PolarHBondContact O-N 2.77Å; K264-D266 PolarHBondContact O-N 3.35Å; D266-R273 IonicContact OD1-CZ 2.7Å; D266-R273 IonicContact OD1-NH1 3.5Å; D266-R273 PolarHBondContact OD1-NH1 3.5Å; D266-R273 IonicContact OD1-NH2 3.18Å; D266-R273 PolarHBondContact OD1-NH2 3.47Å
267	C	71.4	Confident	74.3	Confident	3 Å²	3	87.4 Å²	87.4	2%	0.02	43%	0.426	C	S	.	.			trans	-87.5	125.5	-178.9	-166.5	0	0	0	0	112.4	L256 H262 L263 K264 K265 E269 D270	L256-C267 HydrophobicContact CB-CB 4.44Å; L256-C267 HydrophobicContact CD1-CB 3.91Å; H262-C267 VanDerWaalsContact CD2-CA 3.46Å; H262-C267 WeakPolarHBondContact CD2-CA 3.36Å; H262-C267 PolarHBondContact NE2-SG 3.42Å; H262-C267 VanDerWaalsContact NE2-SG 3.37Å; L263-C267 PolarHBondContact O-N 3.27Å; K264-C267 VanDerWaalsContact O-CB 3.31Å; K264-C267 WeakPolarHBondContact O-CB 3.37Å; K264-C267 PolarHBondContact O-N 3.18Å; K265-C267 PolarHBondContact O-N 3.2Å; C267-E269 PolarHBondContact O-N 3.44Å; C267-E269 PolarHBondContact SG-N 3.43Å; C267-D270 HydrophobicContact CB-CB 4.29Å; C267-D270 PolarHBondContact O-N 3.34Å; C267-D270 VanDerWaalsContact O-N 3.08Å
268	P	67.1	Low	75.4	Confident	91 Å²	91	92 Å²	92	59%	0.591	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	0.1	173.4	32.2	-36.5	0	0	0	113.4
269	E	64.4	Low	76.4	Confident	66 Å²	66	87.6 Å²	87.6	31%	0.308	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	6.3	170	-70.5	170.9	-127	0	0	112.5	C257 R259 C267 F271 N587	C257-E269 HydrophobicContact CB-CB 4.13Å; C257-E269 HydrophobicContact CB-CG 4.2Å; C257-E269 WeakPolarHBondContact CB-OE1 3.41Å; C257-E269 WeakPolarHBondContact CB-OE2 3.4Å; R259-E269 IonicContact CZ-OE1 3.5Å; R259-E269 IonicContact NE-OE1 2.79Å; R259-E269 PolarHBondContact NE-OE1 3.46Å; R259-E269 IonicContact NH2-OE1 3.33Å; R259-E269 PolarHBondContact NH2-OE1 2.98Å; C267-E269 PolarHBondContact O-N 3.44Å; C267-E269 PolarHBondContact SG-N 3.43Å; E269-F271 PolarHBondContact O-N 3Å; E269-N587 PolarHBondContact O-ND2 2.74Å
270	D	69.3	Low	77.2	Confident	28 Å²	28	84.1 Å²	84.1	15%	0.15	43%	0.432	C	S	.	.			trans	-81	105.2	165.8	-164	-25.9	0	0	0	109.1	L256 C267 K272 R273	L256-D270 HydrophobicContact CD1-CB 3.68Å; C267-D270 HydrophobicContact CB-CB 4.29Å; C267-D270 PolarHBondContact O-N 3.34Å; C267-D270 VanDerWaalsContact O-N 3.08Å; D270-K272 PolarHBondContact O-N 3.44Å; D270-K272 VanDerWaalsContact O-N 3.09Å; D270-K272 WeakPolarHBondContact OD1-CB 3.3Å; D270-K272 PolarHBondContact OD1-N 3.5Å; D270-R273 PolarHBondContact O-N 3.16Å
271	F	62.2	Low	77.7	Confident	51 Å²	51	83.7 Å²	83.7	22%	0.224	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	-56.7	-26.1	-179.9	72.9	-87.5	0	0	0	112.4	E269 R273 I274 Y564	E269-F271 PolarHBondContact O-N 3Å; F271-R273 PolarHBondContact O-N 3.21Å; F271-I274 HydrophobicContact CB-CD1 4.25Å; F271-I274 PolarHBondContact O-N 2.94Å; F271-Y564 HydrophobicContact CD1-CE1 4.27Å; F271-Y564 HydrophobicContact CD2-CE1 4.25Å; F271-Y564 AromaticContact CD2-CZ 3.86Å; F271-Y564 HydrophobicContact CE1-CD1 4.19Å; F271-Y564 AromaticContact CE1-CD2 3.97Å; F271-Y564 HydrophobicContact CE1-CD2 3.97Å; F271-Y564 AromaticContact CE1-CE1 3.98Å; F271-Y564 HydrophobicContact CE1-CE1 3.98Å; F271-Y564 AromaticContact CE1-CE2 3.77Å; F271-Y564 HydrophobicContact CE1-CE2 3.77Å; F271-Y564 HydrophobicContact CE1-CG 4.19Å; F271-Y564 AromaticContact CE1-CZ 3.78Å; F271-Y564 AromaticContact CE2-CE1 3.99Å; F271-Y564 HydrophobicContact CE2-CE1 3.99Å; F271-Y564 AromaticContact CE2-CE2 3.55Å; F271-Y564 HydrophobicContact CE2-CE2 3.55Å; F271-Y564 AromaticContact CE2-CZ 3.21Å; F271-Y564 WeakPolarHBondContact CE2-OH 3.31Å; F271-Y564 HydrophobicContact CG-CE1 4.42Å; F271-Y564 HydrophobicContact CZ-CD1 4.38Å; F271-Y564 AromaticContact CZ-CD2 3.68Å; F271-Y564 HydrophobicContact CZ-CD2 3.68Å; F271-Y564 AromaticContact CZ-CE1 3.86Å; F271-Y564 HydrophobicContact CZ-CE1 3.86Å; F271-Y564 AromaticContact CZ-CE2 3.06Å; F271-Y564 HydrophobicContact CZ-CE2 3.06Å; F271-Y564 HydrophobicContact CZ-CG 4.31Å; F271-Y564 AromaticContact CZ-CZ 3.17Å; F271-Y564 WeakPolarHBondContact CZ-OH 3.46Å
272	K	59.3	Low	78.4	Confident	114 Å²	114	82.4 Å²	82.4	50%	0.496	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-64.4	-9.9	177.2	-70.5	-166.7	170.2	-79	0	113.3	D270 D539	D270-K272 PolarHBondContact O-N 3.44Å; D270-K272 VanDerWaalsContact O-N 3.09Å; D270-K272 WeakPolarHBondContact OD1-CB 3.3Å; D270-K272 PolarHBondContact OD1-N 3.5Å; K272-D539 IonicContact NZ-OD1 2.78Å; K272-D539 IonicContact NZ-OD2 2.68Å; K272-D539 PolarHBondContact NZ-OD2 3.08Å
273	R	58.4	Low	79	Confident	143 Å²	143	84.6 Å²	84.6	54%	0.54	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-108.9	0.9	174.4	-71.1	-169.9	168.8	-171.1	7.1	114.4	K265 D266 D270 F271 Q275	K265-R273 WeakPolarHBondContact O-CD 3.43Å; K265-R273 PolarHBondContact O-NE 3.35Å; K265-R273 PolarHBondContact O-NH1 3Å; K265-R273 PolarHBondContact O-NH2 3.17Å; D266-R273 IonicContact OD1-CZ 2.7Å; D266-R273 IonicContact OD1-NH1 3.5Å; D266-R273 PolarHBondContact OD1-NH1 3.5Å; D266-R273 IonicContact OD1-NH2 3.18Å; D266-R273 PolarHBondContact OD1-NH2 3.47Å; D270-R273 PolarHBondContact O-N 3.16Å; F271-R273 PolarHBondContact O-N 3.21Å; R273-Q275 PolarHBondContact O-N 2.78Å; R273-Q275 VanDerWaalsContact O-N 3.09Å
274	I	72.4	Confident	79.8	Confident	74 Å²	74	85.4 Å²	85.4	38%	0.379	44%	0.444	S	S	.	.			trans	-75.7	101.2	175.9	-59.6	174.2	0	0	0	108.7	F271 L276 I594	F271-I274 HydrophobicContact CB-CD1 4.25Å; F271-I274 PolarHBondContact O-N 2.94Å; I274-L276 HydrophobicContact CG2-CD2 4.17Å; I274-L276 PolarHBondContact O-N 2.75Å; I274-I594 HydrophobicContact CD1-CD1 4.17Å; I274-I594 HydrophobicContact CG2-CD1 4.32Å
275	Q	79.5	Confident	81	Confident	189 Å²	189	88.3 Å²	88.3	88%	0.883	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-69	122.1	168.6	-64	-175.7	12.6	0	0	108.8	R273	R273-Q275 PolarHBondContact O-N 2.78Å; R273-Q275 VanDerWaalsContact O-N 3.09Å
276	L	91.3	Very high	82.3	Confident	47 Å²	47	82.8 Å²	82.8	25%	0.246	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-83.8	138.6	179.8	-60.5	177.4	0	0	0	110.7	I274 T535 E536 I594	I274-L276 HydrophobicContact CG2-CD2 4.17Å; I274-L276 PolarHBondContact O-N 2.75Å; L276-T535 WeakPolarHBondContact CD1-O 3.5Å; L276-E536 HydrophobicContact CD1-CG 3.82Å; L276-I594 HydrophobicContact CD2-CB 4.43Å; L276-I594 HydrophobicContact CD2-CD1 4.12Å; L276-I594 HydrophobicContact CD2-CG1 3.89Å; L276-I594 HydrophobicContact CD2-CG2 3.76Å
277	E	90.6	Very high	83.4	Confident	104 Å²	104	81.2 Å²	81.2	49%	0.486	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-59.3	135.2	174.5	-63.9	175	154	0	0	110.4	L279 R597 R598 I602	E277-L279 PolarHBondContact O-N 3.16Å; E277-R597 VanDerWaalsContact O-CZ 3.3Å; E277-R597 PolarHBondContact O-NH1 3.42Å; E277-R597 PolarHBondContact O-NH2 2.88Å; E277-R598 WeakPolarHBondContact OE2-CD 3.45Å; E277-I602 HydrophobicContact CB-CD1 4.38Å
278	P	94.6	Very high	84.7	Confident	118 Å²	118	85.2 Å²	85.2	77%	0.766	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-67.2	131.6	174.9	28.3	-33.7	0	0	0	109.8
279	L	96.1	Very high	86.1	Confident	44 Å²	44	81.7 Å²	81.7	23%	0.23	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-77.1	137.9	179.6	-59.8	-179.4	0	0	0	110.8	E277 L528 R532 R597 I602	E277-L279 PolarHBondContact O-N 3.16Å; L279-L528 HydrophobicContact CD1-CD1 4.19Å; L279-L528 HydrophobicContact CD1-CD2 4.44Å; L279-R532 HydrophobicContact CD1-CG 3.98Å; L279-R597 HydrophobicContact CD1-CG 4.38Å; L279-R597 HydrophobicContact CD2-CG 4.38Å; L279-I602 HydrophobicContact CD2-CD1 4.17Å; L279-I602 HydrophobicContact CD2-CG1 3.66Å
280	P	96.3	Very high	87.8	Confident	52 Å²	52	78.6 Å²	78.6	34%	0.338	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-70.3	157.8	173.7	31.9	-36.1	0	0	0	111.4	L282 I602	P280-L282 PolarHBondContact O-N 2.98Å; P280-I602 HydrophobicContact CG-CG2 4.23Å
281	P	94.9	Very high	89.2	Confident	128 Å²	128	78.6 Å²	78.6	83%	0.831	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-62.8	124.4	172.4	26.8	-34.1	0	0	0	110.6
282	L	96	Very high	90.9	Very high	45 Å²	45	79.7 Å²	79.7	24%	0.236	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-80.3	141	-178.2	-63.4	-173.6	0	0	0	112.3	P280 F286 L287 L290 L528 P603	P280-L282 PolarHBondContact O-N 2.98Å; L282-F286 HydrophobicContact CD1-CD1 4.14Å; L282-F286 HydrophobicContact CD1-CE1 4.42Å; L282-F286 HydrophobicContact CD2-CD1 3.76Å; L282-F286 HydrophobicContact CD2-CE1 4.02Å; L282-F286 HydrophobicContact CG-CD1 4.42Å; L282-L287 HydrophobicContact CB-CD2 4.05Å; L282-L287 HydrophobicContact CB-CG 4.2Å; L282-L287 HydrophobicContact CD1-CD2 3.7Å; L282-L290 HydrophobicContact CD1-CD1 4.25Å; L282-L528 HydrophobicContact CD1-CD2 3.48Å; L282-L528 VanDerWaalsContact CD1-CD2 3.48Å; L282-P603 HydrophobicContact CD2-CG 3.67Å
283	T	96.5	Very high	92.8	Very high	79 Å²	79	74.3 Å²	74.3	49%	0.485	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-83.8	150.6	173.8	69.9	0	0	0	0	111.1	K285 F286 L287	T283-K285 PolarHBondContact O-N 2.8Å; T283-K285 VanDerWaalsContact O-N 3.12Å; T283-F286 PolarHBondContact O-N 3.36Å; T283-F286 PolarHBondContact OG1-N 3.09Å; T283-L287 PolarHBondContact O-N 2.85Å
284	P	97.4	Very high	94.7	Very high	108 Å²	108	67.5 Å²	67.5	70%	0.701	36%	0.364	S	S	*	.	H	α-helix	trans	-55.9	-30	174.7	-27.5	35.5	0	0	0	113.8	N288	P284-N288 WeakPolarHBondContact O-CB 3.36Å; P284-N288 PolarHBondContact O-N 3.02Å
285	K	97.3	Very high	96	Very high	175 Å²	175	66 Å²	66	76%	0.761	36%	0.356	S	S	*	.	H	α-helix	trans	-66	-36.6	174.7	-67.9	-177.1	179.3	178.1	0	112.4	T283 I289	T283-K285 PolarHBondContact O-N 2.8Å; T283-K285 VanDerWaalsContact O-N 3.12Å; K285-I289 WeakPolarHBondContact O-CD1 3.43Å; K285-I289 WeakPolarHBondContact O-CG1 3.49Å; K285-I289 PolarHBondContact O-N 3.46Å
286	F	97.9	Very high	96.9	Very high	11 Å²	11	60.4 Å²	60.4	5%	0.048	33%	0.33	C	S	.	.	H	α-helix	trans	-77	-40.7	176.8	-169.7	-97.1	0	0	0	111.5	L282 T283 N288 I289 L290 F600 P603 F607 F618	L282-F286 HydrophobicContact CD1-CD1 4.14Å; L282-F286 HydrophobicContact CD1-CE1 4.42Å; L282-F286 HydrophobicContact CD2-CD1 3.76Å; L282-F286 HydrophobicContact CD2-CE1 4.02Å; L282-F286 HydrophobicContact CG-CD1 4.42Å; T283-F286 PolarHBondContact O-N 3.36Å; T283-F286 PolarHBondContact OG1-N 3.09Å; F286-N288 VanDerWaalsContact C-N 3.35Å; F286-N288 PolarHBondContact O-N 3.09Å; F286-I289 WeakPolarHBondContact O-CA 3.35Å; F286-I289 WeakPolarHBondContact O-CB 3.46Å; F286-I289 PolarHBondContact O-N 2.93Å; F286-L290 HydrophobicContact CD1-CD1 4.09Å; F286-L290 HydrophobicContact CD1-CD2 4.48Å; F286-L290 HydrophobicContact CD1-CG 4.11Å; F286-L290 HydrophobicContact CE1-CD1 3.95Å; F286-L290 HydrophobicContact CE1-CD2 3.87Å; F286-L290 HydrophobicContact CE1-CG 3.97Å; F286-L290 HydrophobicContact CZ-CD2 4.23Å; F286-L290 PolarHBondContact O-N 2.93Å; F286-F600 WeakPolarHBondContact CE1-O 3.47Å; F286-P603 HydrophobicContact CD1-CG 3.95Å; F286-P603 HydrophobicContact CD2-CB 3.88Å; F286-P603 HydrophobicContact CD2-CG 3.89Å; F286-P603 HydrophobicContact CE1-CG 3.99Å; F286-P603 HydrophobicContact CE2-CB 3.83Å; F286-P603 HydrophobicContact CE2-CG 3.95Å; F286-P603 HydrophobicContact CG-CB 4.37Å; F286-P603 HydrophobicContact CG-CG 3.88Å; F286-P603 HydrophobicContact CZ-CB 4.26Å; F286-P603 HydrophobicContact CZ-CG 3.99Å; F286-F607 HydrophobicContact CD2-CD1 4.36Å; F286-F607 HydrophobicContact CD2-CE1 4.37Å; F286-F607 AromaticContact CE2-CD1 3.96Å; F286-F607 HydrophobicContact CE2-CD1 3.96Å; F286-F607 AromaticContact CE2-CE1 3.97Å; F286-F607 HydrophobicContact CE2-CE1 3.97Å; F286-F618 HydrophobicContact CE2-CZ 4.13Å; F286-F618 HydrophobicContact CZ-CE1 4.11Å; F286-F618 AromaticContact CZ-CZ 3.98Å; F286-F618 HydrophobicContact CZ-CZ 3.98Å
287	L	97.9	Very high	97.3	Very high	36 Å²	36	58.1 Å²	58.1	19%	0.188	32%	0.318	C	S	.	.	H	α-helix	trans	-56	-47.1	174	-66.7	175	0	0	0	111.9	L282 T283 I289 L290 D291 Q525	L282-L287 HydrophobicContact CB-CD2 4.05Å; L282-L287 HydrophobicContact CB-CG 4.2Å; L282-L287 HydrophobicContact CD1-CD2 3.7Å; T283-L287 PolarHBondContact O-N 2.85Å; L287-I289 PolarHBondContact O-N 2.8Å; L287-L290 HydrophobicContact CD2-CD1 4.36Å; L287-L290 WeakPolarHBondContact O-CA 3.32Å; L287-L290 WeakPolarHBondContact O-CB 3.32Å; L287-L290 PolarHBondContact O-N 3.4Å; L287-D291 PolarHBondContact O-N 3.5Å; L287-Q525 HydrophobicContact CD1-CG 4.49Å; L287-Q525 HydrophobicContact CD2-CG 4.06Å
288	N	98.4	Very high	97.6	Very high	86 Å²	86	56.7 Å²	56.7	46%	0.46	31%	0.309	S	S	.	.	H	α-helix	trans	-60.2	-30.2	174.1	-177.6	14.5	0	0	0	113.1	P284 F286 Q292	P284-N288 WeakPolarHBondContact O-CB 3.36Å; P284-N288 PolarHBondContact O-N 3.02Å; F286-N288 VanDerWaalsContact C-N 3.35Å; F286-N288 PolarHBondContact O-N 3.09Å; N288-Q292 VanDerWaalsContact CG-NE2 3.32Å; N288-Q292 WeakPolarHBondContact O-CB 3.15Å; N288-Q292 WeakPolarHBondContact O-CG 3.49Å; N288-Q292 PolarHBondContact O-N 2.85Å; N288-Q292 PolarHBondContact O-NE2 2.75Å; N288-Q292 PolarHBondContact OD1-NE2 3.04Å
289	I	98.4	Very high	97.8	Very high	18 Å²	18	57.2 Å²	57.2	9%	0.092	30%	0.299	C	S	.	.	H	α-helix	trans	-70.9	-40.7	172.8	-68.3	163.4	0	0	0	110.8	K285 F286 L287 Q292 V293 F607 P608 K614 F618	K285-I289 WeakPolarHBondContact O-CD1 3.43Å; K285-I289 WeakPolarHBondContact O-CG1 3.49Å; K285-I289 PolarHBondContact O-N 3.46Å; F286-I289 WeakPolarHBondContact O-CA 3.35Å; F286-I289 WeakPolarHBondContact O-CB 3.46Å; F286-I289 PolarHBondContact O-N 2.93Å; L287-I289 PolarHBondContact O-N 2.8Å; I289-Q292 PolarHBondContact O-N 2.88Å; I289-V293 HydrophobicContact CG2-CG2 4.4Å; I289-V293 VanDerWaalsContact O-CG2 3.26Å; I289-V293 WeakPolarHBondContact O-CG2 3.33Å; I289-V293 PolarHBondContact O-N 3.4Å; I289-F607 HydrophobicContact CD1-CE1 4.25Å; I289-F607 HydrophobicContact CG2-CE1 3.91Å; I289-F607 HydrophobicContact CG2-CZ 4.03Å; I289-P608 HydrophobicContact CD1-CB 4.22Å; I289-P608 HydrophobicContact CD1-CG 3.84Å; I289-K614 HydrophobicContact CG2-CD 4.17Å; I289-F618 HydrophobicContact CG2-CE2 3.78Å; I289-F618 HydrophobicContact CG2-CZ 4.26Å
290	L	98.7	Very high	97.9	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-61.4	-43.4	173.6	-59.5	179.7	0	0	0	111.2	L282 F286 L287 V293 C294 F600 F618	L282-L290 HydrophobicContact CD1-CD1 4.25Å; F286-L290 HydrophobicContact CD1-CD1 4.09Å; F286-L290 HydrophobicContact CD1-CD2 4.48Å; F286-L290 HydrophobicContact CD1-CG 4.11Å; F286-L290 HydrophobicContact CE1-CD1 3.95Å; F286-L290 HydrophobicContact CE1-CD2 3.87Å; F286-L290 HydrophobicContact CE1-CG 3.97Å; F286-L290 HydrophobicContact CZ-CD2 4.23Å; F286-L290 PolarHBondContact O-N 2.93Å; L287-L290 HydrophobicContact CD2-CD1 4.36Å; L287-L290 WeakPolarHBondContact O-CA 3.32Å; L287-L290 WeakPolarHBondContact O-CB 3.32Å; L287-L290 PolarHBondContact O-N 3.4Å; L290-V293 PolarHBondContact O-N 3.45Å; L290-C294 PolarHBondContact O-N 2.67Å; L290-C294 PolarHBondContact O-SG 2.66Å; L290-F600 HydrophobicContact CD2-CB 4.5Å; L290-F600 HydrophobicContact CD2-CD1 3.89Å; L290-F618 HydrophobicContact CD2-CE1 3.78Å; L290-F618 HydrophobicContact CD2-CZ 3.74Å
291	D	98.8	Very high	98	Very high	29 Å²	29	59.9 Å²	59.9	16%	0.155	31%	0.307	C	S	.	.	H	α-helix	trans	-56.6	-50.7	174.4	-66.4	-43.7	0	0	0	111.7	L287 V293 C294 I295 S522 V523 G524	L287-D291 PolarHBondContact O-N 3.5Å; D291-V293 PolarHBondContact O-N 2.7Å; D291-C294 PolarHBondContact O-N 3.41Å; D291-I295 WeakPolarHBondContact O-CB 3.38Å; D291-I295 VanDerWaalsContact O-CG1 3.3Å; D291-I295 WeakPolarHBondContact O-CG1 3.33Å; D291-I295 PolarHBondContact O-N 3.37Å; D291-S522 WeakPolarHBondContact OD1-CB 3.41Å; D291-S522 PolarHBondContact OD1-OG 3.38Å; D291-S522 PolarHBondContact OD2-OG 3.17Å; D291-V523 PolarHBondContact OD1-N 3.44Å; D291-G524 PolarHBondContact OD1-N 3.44Å
292	Q	98.8	Very high	98.1	Very high	73 Å²	73	54.5 Å²	54.5	34%	0.341	27%	0.272	S	S	.	.	H	α-helix	trans	-58	-46.4	178	-74.1	163.2	31	0	0	111.6	N288 I289 I295 Q296	N288-Q292 VanDerWaalsContact CG-NE2 3.32Å; N288-Q292 WeakPolarHBondContact O-CB 3.15Å; N288-Q292 WeakPolarHBondContact O-CG 3.49Å; N288-Q292 PolarHBondContact O-N 2.85Å; N288-Q292 PolarHBondContact O-NE2 2.75Å; N288-Q292 PolarHBondContact OD1-NE2 3.04Å; I289-Q292 PolarHBondContact O-N 2.88Å; Q292-I295 PolarHBondContact O-N 2.65Å; Q292-Q296 VanDerWaalsContact O-CB 3.24Å; Q292-Q296 WeakPolarHBondContact O-CB 3.43Å; Q292-Q296 PolarHBondContact O-N 3Å
293	V	98.8	Very high	98.2	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.012	27%	0.267	C	S	.	.	H	α-helix	trans	-62.7	-44.5	-179.5	168.1	0	0	0	0	111.1	I289 L290 D291 I295 Q296 C297 F600 K614 M615 F618 F619	I289-V293 HydrophobicContact CG2-CG2 4.4Å; I289-V293 VanDerWaalsContact O-CG2 3.26Å; I289-V293 WeakPolarHBondContact O-CG2 3.33Å; I289-V293 PolarHBondContact O-N 3.4Å; L290-V293 PolarHBondContact O-N 3.45Å; D291-V293 PolarHBondContact O-N 2.7Å; V293-I295 VanDerWaalsContact C-N 3.35Å; V293-I295 PolarHBondContact O-N 3.22Å; V293-Q296 WeakPolarHBondContact O-CB 3.12Å; V293-Q296 PolarHBondContact O-N 2.97Å; V293-C297 PolarHBondContact O-N 3.32Å; V293-C297 PolarHBondContact O-SG 3.11Å; V293-F600 HydrophobicContact CG1-CE1 4.38Å; V293-K614 HydrophobicContact CG2-CB 3.98Å; V293-K614 HydrophobicContact CG2-CD 4.48Å; V293-M615 HydrophobicContact CG1-SD 4.02Å; V293-F618 HydrophobicContact CB-CD2 4.42Å; V293-F618 HydrophobicContact CG1-CB 4.4Å; V293-F618 HydrophobicContact CG1-CD2 4.17Å; V293-F618 HydrophobicContact CG1-CG 4.47Å; V293-F618 HydrophobicContact CG2-CD2 3.65Å; V293-F618 HydrophobicContact CG2-CE2 3.87Å; V293-F619 HydrophobicContact CG1-CE2 3.73Å; V293-F619 HydrophobicContact CG1-CZ 4.23Å
294	C	98.8	Very high	98.3	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-67.2	-35.1	179.3	-59.6	0	0	0	0	112.9	L290 D291 C297 T439 V523	L290-C294 PolarHBondContact O-N 2.67Å; L290-C294 PolarHBondContact O-SG 2.66Å; D291-C294 PolarHBondContact O-N 3.41Å; C294-C297 WeakPolarHBondContact O-CB 3.38Å; C294-T439 VanDerWaalsContact CA-OG1 3.24Å; C294-T439 WeakPolarHBondContact CA-OG1 3.48Å; C294-T439 HydrophobicContact CB-CG2 4.47Å; C294-T439 WeakPolarHBondContact CB-OG1 3.22Å; C294-T439 PolarHBondContact O-OG1 2.85Å; C294-V523 HydrophobicContact CB-CB 4.11Å; C294-V523 HydrophobicContact CB-CG1 3.34Å
295	I	98.8	Very high	98.3	Very high	43 Å²	43	53.6 Å²	53.6	22%	0.221	26%	0.261	C	S	.	.	H	α-helix	trans	-72.1	-33.1	173.9	-67.4	166.4	0	0	0	110.9	D291 Q292 V293 Y298 K299 Y435 V523	D291-I295 WeakPolarHBondContact O-CB 3.38Å; D291-I295 VanDerWaalsContact O-CG1 3.3Å; D291-I295 WeakPolarHBondContact O-CG1 3.33Å; D291-I295 PolarHBondContact O-N 3.37Å; Q292-I295 PolarHBondContact O-N 2.65Å; V293-I295 VanDerWaalsContact C-N 3.35Å; V293-I295 PolarHBondContact O-N 3.22Å; I295-Y298 WeakPolarHBondContact O-CB 3.49Å; I295-Y298 PolarHBondContact O-N 3.31Å; I295-K299 HydrophobicContact CG2-CD 4.13Å; I295-K299 WeakPolarHBondContact O-CG 3.19Å; I295-K299 PolarHBondContact O-N 3.34Å; I295-K299 VanDerWaalsContact O-N 3.14Å; I295-Y435 HydrophobicContact CG1-CD1 4.21Å; I295-Y435 HydrophobicContact CG1-CD2 3.94Å; I295-Y435 HydrophobicContact CG1-CE1 4.32Å; I295-Y435 HydrophobicContact CG1-CE2 4.05Å; I295-Y435 HydrophobicContact CG1-CG 4.04Å; I295-Y435 HydrophobicContact CG2-CE1 4.36Å; I295-V523 HydrophobicContact CD1-CG2 4.38Å; I295-V523 HydrophobicContact CG1-CG2 4.27Å
296	Q	98.6	Very high	98.3	Very high	70 Å²	70	51 Å²	51	33%	0.327	25%	0.254	S	S	.	.	H	α-helix	trans	-67.4	-40.2	176.5	-164	67.1	19.6	0	0	111.5	Q292 V293 Y298 K299 D300 M615	Q292-Q296 VanDerWaalsContact O-CB 3.24Å; Q292-Q296 WeakPolarHBondContact O-CB 3.43Å; Q292-Q296 PolarHBondContact O-N 3Å; V293-Q296 WeakPolarHBondContact O-CB 3.12Å; V293-Q296 PolarHBondContact O-N 2.97Å; Q296-Y298 PolarHBondContact O-N 2.92Å; Q296-Y298 VanDerWaalsContact O-N 3.16Å; Q296-K299 PolarHBondContact O-N 2.89Å; Q296-K299 VanDerWaalsContact O-N 3.12Å; Q296-D300 VanDerWaalsContact CG-OD2 3.29Å; Q296-D300 WeakPolarHBondContact CG-OD2 3.36Å; Q296-D300 PolarHBondContact NE2-OD1 2.84Å; Q296-D300 PolarHBondContact NE2-OD2 3.47Å; Q296-D300 PolarHBondContact O-N 3.45Å; Q296-M615 HydrophobicContact CB-SD 4.06Å; Q296-M615 HydrophobicContact CG-CG 4.34Å; Q296-M615 HydrophobicContact CG-SD 4.04Å
297	C	98.8	Very high	98.3	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-52.5	-34	171.1	-66.4	0	0	0	0	113.4	V293 C294 F301 V442 F619	V293-C297 PolarHBondContact O-N 3.32Å; V293-C297 PolarHBondContact O-SG 3.11Å; C294-C297 WeakPolarHBondContact O-CB 3.38Å; C297-F301 WeakPolarHBondContact O-CD2 3.45Å; C297-V442 HydrophobicContact CB-CG2 3.91Å; C297-F619 VanDerWaalsContact SG-CZ 3.56Å
298	Y	98.6	Very high	98.2	Very high	73 Å²	73	54.4 Å²	54.4	29%	0.286	27%	0.271	S	S	.	.	H	α-helix	trans	-73.7	-56.7	172.7	171.3	-107	0	0	0	111.1	I295 Q296 D300 F301 S302 K434 Y435 Y438	I295-Y298 WeakPolarHBondContact O-CB 3.49Å; I295-Y298 PolarHBondContact O-N 3.31Å; Q296-Y298 PolarHBondContact O-N 2.92Å; Q296-Y298 VanDerWaalsContact O-N 3.16Å; Y298-D300 PolarHBondContact O-N 3.39Å; Y298-F301 PolarHBondContact O-N 3.39Å; Y298-S302 VanDerWaalsContact O-CB 3.24Å; Y298-S302 WeakPolarHBondContact O-CB 3.37Å; Y298-S302 PolarHBondContact O-N 3Å; Y298-S302 PolarHBondContact O-OG 3.01Å; Y298-S302 VanDerWaalsContact O-OG 3.05Å; Y298-K434 HydrophobicContact CD2-CB 4.5Å; Y298-K434 HydrophobicContact CE2-CD 4.43Å; Y298-Y435 HydrophobicContact CD1-CD1 4.12Å; Y298-Y435 AromaticContact CD1-CE1 3.74Å; Y298-Y435 HydrophobicContact CD1-CE1 3.74Å; Y298-Y435 HydrophobicContact CE1-CE1 4.39Å; Y298-Y435 AromaticContact CG-CD1 3.97Å; Y298-Y435 HydrophobicContact CG-CD1 3.97Å; Y298-Y435 HydrophobicContact CG-CE1 4.07Å; Y298-Y438 HydrophobicContact CD2-CD1 4.07Å; Y298-Y438 AromaticContact CD2-CD2 3.81Å; Y298-Y438 HydrophobicContact CD2-CD2 3.81Å; Y298-Y438 AromaticContact CD2-CE1 3.93Å; Y298-Y438 HydrophobicContact CD2-CE1 3.93Å; Y298-Y438 AromaticContact CD2-CE2 3.6Å; Y298-Y438 HydrophobicContact CD2-CE2 3.6Å; Y298-Y438 HydrophobicContact CD2-CG 4Å; Y298-Y438 AromaticContact CD2-CZ 3.66Å; Y298-Y438 HydrophobicContact CE2-CE1 4.48Å; Y298-Y438 AromaticContact CE2-CE2 3.96Å; Y298-Y438 HydrophobicContact CE2-CE2 3.96Å; Y298-Y438 AromaticContact CE2-CZ 3.9Å
299	K	98.3	Very high	98.2	Very high	129 Å²	129	55 Å²	55	56%	0.561	27%	0.271	S	S	*	.	H	α-helix	trans	-58.2	-41.8	-172.3	-71	174.9	177.4	176.7	0	114.4	I295 Q296	I295-K299 HydrophobicContact CG2-CD 4.13Å; I295-K299 WeakPolarHBondContact O-CG 3.19Å; I295-K299 PolarHBondContact O-N 3.34Å; I295-K299 VanDerWaalsContact O-N 3.14Å; Q296-K299 PolarHBondContact O-N 2.89Å; Q296-K299 VanDerWaalsContact O-N 3.12Å
300	D	98.3	Very high	98.2	Very high	72 Å²	72	56.2 Å²	56.2	39%	0.385	28%	0.284	S	S	.	.	H	α-helix	trans	-79.4	-34.3	-174.4	-68.8	-14.3	0	0	0	112.2	Q296 Y298 K344	Q296-D300 VanDerWaalsContact CG-OD2 3.29Å; Q296-D300 WeakPolarHBondContact CG-OD2 3.36Å; Q296-D300 PolarHBondContact NE2-OD1 2.84Å; Q296-D300 PolarHBondContact NE2-OD2 3.47Å; Q296-D300 PolarHBondContact O-N 3.45Å; Y298-D300 PolarHBondContact O-N 3.39Å; D300-K344 WeakPolarHBondContact O-CE 3.31Å
301	F	98.2	Very high	98.2	Very high	80 Å²	80	56.3 Å²	56.3	35%	0.351	28%	0.284	S	S	.	.	H	α-helix	trans	-103	-14.7	-171.7	-60.6	-67.3	0	0	0	114.7	C297 Y298 F343 K344 V442 M615	C297-F301 WeakPolarHBondContact O-CD2 3.45Å; Y298-F301 PolarHBondContact O-N 3.39Å; F301-F343 HydrophobicContact CB-CD1 3.88Å; F301-F343 HydrophobicContact CB-CD2 4.1Å; F301-F343 HydrophobicContact CB-CE1 3.84Å; F301-F343 HydrophobicContact CB-CE2 4.07Å; F301-F343 HydrophobicContact CB-CG 4.01Å; F301-F343 HydrophobicContact CB-CZ 3.94Å; F301-F343 HydrophobicContact CG-CD2 4.49Å; F301-F343 HydrophobicContact CG-CE2 4.2Å; F301-F343 HydrophobicContact CG-CZ 4.28Å; F301-F343 CarbonylContact O-C 3.56Å; F301-F343 WeakPolarHBondContact O-CA 3.23Å; F301-K344 PolarHBondContact O-N 3.22Å; F301-V442 HydrophobicContact CD2-CG2 3.47Å; F301-V442 VanDerWaalsContact CD2-CG2 3.47Å; F301-V442 HydrophobicContact CE2-CG1 4.4Å; F301-V442 HydrophobicContact CE2-CG2 3.61Å; F301-V442 HydrophobicContact CG-CG2 4.37Å; F301-M615 HydrophobicContact CE2-CE 4.1Å
302	S	97.9	Very high	98.2	Very high	16 Å²	16	57.1 Å²	57.1	11%	0.112	29%	0.287	C	S	.	.	S	Bend	trans	-66.8	140.7	174.1	62.3	0	0	0	0	112.4	Y298 K344	Y298-S302 VanDerWaalsContact O-CB 3.24Å; Y298-S302 WeakPolarHBondContact O-CB 3.37Å; Y298-S302 PolarHBondContact O-N 3Å; Y298-S302 PolarHBondContact O-OG 3.01Å; Y298-S302 VanDerWaalsContact O-OG 3.05Å; S302-K344 WeakPolarHBondContact O-CE 3.29Å; S302-K344 WeakPolarHBondContact O-CG 3.41Å; S302-K344 PolarHBondContact O-NZ 3.12Å
303	P	97.4	Very high	98.1	Very high	17 Å²	17	59.1 Å²	59.1	11%	0.11	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-50.7	145.7	163.6	-26	34.9	0	0	0	112.4	E307 D308 G342	P303-E307 HydrophobicContact CB-CB 4Å; P303-D308 WeakPolarHBondContact CB-OD1 3.29Å; P303-D308 WeakPolarHBondContact CG-OD1 3.46Å; P303-G342 VanDerWaalsContact CD-O 3.27Å; P303-G342 WeakPolarHBondContact CD-O 3.25Å
304	T	97.7	Very high	98.1	Very high	66 Å²	66	59.5 Å²	59.5	41%	0.405	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-76.2	161.7	159.1	56.5	0	0	0	0	109.9	I306 E307 D308	T304-I306 PolarHBondContact O-N 3.3Å; T304-I306 VanDerWaalsContact O-N 3.11Å; T304-E307 WeakPolarHBondContact CB-OE2 3.42Å; T304-E307 WeakPolarHBondContact CG2-OE2 3.45Å; T304-E307 PolarHBondContact N-OE2 3.09Å; T304-E307 WeakPolarHBondContact O-CB 3.39Å; T304-E307 PolarHBondContact O-N 3.1Å; T304-E307 WeakPolarHBondContact OG1-CG 3.47Å; T304-E307 PolarHBondContact OG1-N 3.43Å; T304-E307 PolarHBondContact OG1-OE2 3.39Å; T304-D308 PolarHBondContact O-N 3.33Å
305	I	97.1	Very high	98.1	Very high	130 Å²	130	61 Å²	61	67%	0.667	30%	0.304	S	S	*	.	H	α-helix	trans	-54.4	-33.2	175.9	-57.2	169.7	0	0	0	111.4	Q309	I305-Q309 WeakPolarHBondContact O-CB 3.42Å; I305-Q309 VanDerWaalsContact O-CG 3.25Å; I305-Q309 WeakPolarHBondContact O-CG 3.48Å; I305-Q309 PolarHBondContact O-N 3.06Å
306	I	97.9	Very high	98.1	Very high	119 Å²	119	62.9 Å²	62.9	61%	0.61	31%	0.312	S	S	*	.	H	α-helix	trans	-73.1	-38.8	177.1	-52.5	-56.3	0	0	0	111.8	T304 Q309 A310	T304-I306 PolarHBondContact O-N 3.3Å; T304-I306 VanDerWaalsContact O-N 3.11Å; I306-Q309 PolarHBondContact O-N 3.22Å; I306-A310 WeakPolarHBondContact O-CB 3.25Å; I306-A310 PolarHBondContact O-N 2.91Å
307	E	97.6	Very high	98.1	Very high	52 Å²	52	63 Å²	63	24%	0.243	31%	0.314	C	S	.	.	H	α-helix	trans	-64.1	-40.9	173.6	-72.4	164.4	106.8	0	0	111.2	P303 T304 A310 R311 K344	P303-E307 HydrophobicContact CB-CB 4Å; T304-E307 WeakPolarHBondContact CB-OE2 3.42Å; T304-E307 WeakPolarHBondContact CG2-OE2 3.45Å; T304-E307 PolarHBondContact N-OE2 3.09Å; T304-E307 WeakPolarHBondContact O-CB 3.39Å; T304-E307 PolarHBondContact O-N 3.1Å; T304-E307 WeakPolarHBondContact OG1-CG 3.47Å; T304-E307 PolarHBondContact OG1-N 3.43Å; T304-E307 PolarHBondContact OG1-OE2 3.39Å; E307-A310 WeakPolarHBondContact O-CB 3.42Å; E307-A310 PolarHBondContact O-N 2.94Å; E307-R311 WeakPolarHBondContact O-CG 3.49Å; E307-R311 PolarHBondContact O-N 2.86Å; E307-K344 WeakPolarHBondContact OE1-CB 3.42Å; E307-K344 WeakPolarHBondContact OE1-CD 3.31Å; E307-K344 VanDerWaalsContact OE1-CG 3.31Å; E307-K344 WeakPolarHBondContact OE1-CG 3.41Å; E307-K344 IonicContact OE1-NZ 2.68Å; E307-K344 IonicContact OE2-NZ 3.25Å; E307-K344 PolarHBondContact OE2-NZ 2.82Å
308	D	97.1	Very high	98.1	Very high	67 Å²	67	63 Å²	63	36%	0.358	31%	0.314	S	S	.	.	H	α-helix	trans	-71	-36.2	175.7	-76.4	-26.2	0	0	0	113.1	P303 T304 A310 R311 E312	P303-D308 WeakPolarHBondContact CB-OD1 3.29Å; P303-D308 WeakPolarHBondContact CG-OD1 3.46Å; T304-D308 PolarHBondContact O-N 3.33Å; D308-A310 VanDerWaalsContact C-N 3.32Å; D308-R311 WeakPolarHBondContact O-CB 3.46Å; D308-R311 PolarHBondContact O-N 3.09Å; D308-E312 PolarHBondContact O-N 3.39Å
309	Q	97.9	Very high	98.1	Very high	99 Å²	99	60.4 Å²	60.4	46%	0.463	31%	0.305	S	S	.	.	H	α-helix	trans	-62.2	-40.9	169.3	-77.6	174.6	4	0	0	111.1	I305 I306 R311 E312 H313	I305-Q309 WeakPolarHBondContact O-CB 3.42Å; I305-Q309 VanDerWaalsContact O-CG 3.25Å; I305-Q309 WeakPolarHBondContact O-CG 3.48Å; I305-Q309 PolarHBondContact O-N 3.06Å; I306-Q309 PolarHBondContact O-N 3.22Å; Q309-R311 VanDerWaalsContact C-N 3.33Å; Q309-R311 PolarHBondContact O-N 2.85Å; Q309-E312 PolarHBondContact O-N 3.19Å; Q309-H313 PolarHBondContact O-N 3.5Å; Q309-H313 PolarHBondContact O-ND1 3.06Å
310	A	98.1	Very high	98.1	Very high	43 Å²	43	57.6 Å²	57.6	36%	0.355	30%	0.301	S	S	.	.	H	α-helix	trans	-62.5	-38.5	176.3	0	0	0	0	0	112.2	I306 E307 D308 E312 H313 I314	I306-A310 WeakPolarHBondContact O-CB 3.25Å; I306-A310 PolarHBondContact O-N 2.91Å; E307-A310 WeakPolarHBondContact O-CB 3.42Å; E307-A310 PolarHBondContact O-N 2.94Å; D308-A310 VanDerWaalsContact C-N 3.32Å; A310-E312 VanDerWaalsContact C-N 3.32Å; A310-E312 PolarHBondContact O-N 3.13Å; A310-H313 PolarHBondContact O-N 3.21Å; A310-I314 VanDerWaalsContact O-CG1 3.29Å; A310-I314 WeakPolarHBondContact O-CG1 3.31Å; A310-I314 PolarHBondContact O-N 2.93Å
311	R	98.5	Very high	98.1	Very high	3 Å²	3	55.3 Å²	55.3	1%	0.011	29%	0.288	C	S	.	.	H	α-helix	trans	-57.4	-42.9	172.4	-70.1	176.2	177.8	-85.6	-14	112.1	E307 D308 Q309 I314 R315 S337 F343 K344 S346 D347 L348 L405	E307-R311 WeakPolarHBondContact O-CG 3.49Å; E307-R311 PolarHBondContact O-N 2.86Å; D308-R311 WeakPolarHBondContact O-CB 3.46Å; D308-R311 PolarHBondContact O-N 3.09Å; Q309-R311 VanDerWaalsContact C-N 3.33Å; Q309-R311 PolarHBondContact O-N 2.85Å; R311-I314 PolarHBondContact O-N 3.03Å; R311-R315 PolarHBondContact O-N 3.11Å; R311-S337 PolarHBondContact NH1-OG 2.94Å; R311-F343 PolarHBondContact NH2-O 3.47Å; R311-K344 PolarHBondContact NH2-O 2.72Å; R311-S346 VanDerWaalsContact CZ-O 3.31Å; R311-S346 PolarHBondContact NH1-O 3.4Å; R311-S346 PolarHBondContact NH2-O 3.16Å; R311-D347 PolarHBondContact NH1-O 2.89Å; R311-L348 HydrophobicContact CB-CD1 3.71Å; R311-L348 HydrophobicContact CG-CD1 3.79Å; R311-L405 HydrophobicContact CG-CD1 4.26Å
312	E	98.2	Very high	98.1	Very high	45 Å²	45	51.5 Å²	51.5	21%	0.21	27%	0.272	C	S	.	.	H	α-helix	trans	-68.5	-40	176.3	-175.6	59.1	-135.1	0	0	112.7	D308 Q309 A310 I314 R315 Q316 K338	D308-E312 PolarHBondContact O-N 3.39Å; Q309-E312 PolarHBondContact O-N 3.19Å; A310-E312 VanDerWaalsContact C-N 3.32Å; A310-E312 PolarHBondContact O-N 3.13Å; E312-I314 VanDerWaalsContact C-N 3.32Å; E312-I314 PolarHBondContact O-N 3.3Å; E312-R315 WeakPolarHBondContact O-CB 3.41Å; E312-R315 PolarHBondContact O-N 2.9Å; E312-R315 IonicContact OE1-CZ 3.67Å; E312-R315 IonicContact OE1-NE 3.88Å; E312-R315 PolarHBondContact OE1-NE 3.26Å; E312-R315 IonicContact OE1-NH2 3.65Å; E312-R315 PolarHBondContact OE1-NH2 3.36Å; E312-R315 IonicContact OE2-NE 3.74Å; E312-Q316 WeakPolarHBondContact O-CG 3.25Å; E312-Q316 PolarHBondContact O-N 3.45Å; E312-Q316 PolarHBondContact OE1-NE2 3.24Å; E312-K338 IonicContact OE2-NZ 3.88Å; E312-K338 PolarHBondContact OE2-NZ 3Å
313	H	98.3	Very high	98.1	Very high	116 Å²	116	55.2 Å²	55.2	54%	0.537	28%	0.283	S	S	.	.	H	α-helix	trans	-63.3	-36.5	174.8	-73.9	83.1	0	0	0	112.3	Q309 A310 Q316 N317	Q309-H313 PolarHBondContact O-N 3.5Å; Q309-H313 PolarHBondContact O-ND1 3.06Å; A310-H313 PolarHBondContact O-N 3.21Å; H313-Q316 PolarHBondContact O-N 3.27Å; H313-N317 WeakPolarHBondContact O-CB 3.23Å; H313-N317 PolarHBondContact O-N 3.16Å
314	I	98.4	Very high	98.2	Very high	10 Å²	10	61 Å²	61	5%	0.051	31%	0.309	C	S	.	.	H	α-helix	trans	-62.4	-45	173.8	-66.1	162.4	0	0	0	110.3	A310 R311 E312 Q316 N317 L318 L348 S403	A310-I314 VanDerWaalsContact O-CG1 3.29Å; A310-I314 WeakPolarHBondContact O-CG1 3.31Å; A310-I314 PolarHBondContact O-N 2.93Å; R311-I314 PolarHBondContact O-N 3.03Å; E312-I314 VanDerWaalsContact C-N 3.32Å; E312-I314 PolarHBondContact O-N 3.3Å; I314-Q316 PolarHBondContact O-N 2.96Å; I314-N317 PolarHBondContact O-N 2.7Å; I314-L318 HydrophobicContact CG2-CD1 3.75Å; I314-L318 HydrophobicContact CG2-CG 4.27Å; I314-L318 WeakPolarHBondContact O-CB 3.24Å; I314-L318 VanDerWaalsContact O-CG 3.3Å; I314-L318 WeakPolarHBondContact O-CG 3.18Å; I314-L318 PolarHBondContact O-N 2.94Å; I314-L348 HydrophobicContact CB-CD2 3.94Å; I314-L348 HydrophobicContact CD1-CD2 4.49Å; I314-L348 HydrophobicContact CG2-CD2 3.48Å; I314-L348 VanDerWaalsContact CG2-CD2 3.48Å; I314-S403 WeakPolarHBondContact CD1-OG 3.39Å
315	R	98.6	Very high	98.1	Very high	32 Å²	32	61 Å²	61	12%	0.121	31%	0.306	C	S	.	.	H	α-helix	trans	-57.8	-46.5	174.9	-170.5	-153.8	68.7	68	9.2	111.6	R311 E312 E319 L331 L333	R311-R315 PolarHBondContact O-N 3.11Å; E312-R315 WeakPolarHBondContact O-CB 3.41Å; E312-R315 PolarHBondContact O-N 2.9Å; E312-R315 IonicContact OE1-CZ 3.67Å; E312-R315 IonicContact OE1-NE 3.88Å; E312-R315 PolarHBondContact OE1-NE 3.26Å; E312-R315 IonicContact OE1-NH2 3.65Å; E312-R315 PolarHBondContact OE1-NH2 3.36Å; E312-R315 IonicContact OE2-NE 3.74Å; R315-E319 IonicContact CZ-OE2 3.38Å; R315-E319 IonicContact NH1-OE1 2.81Å; R315-E319 PolarHBondContact NH1-OE1 2.96Å; R315-E319 VanDerWaalsContact NH1-OE1 3.17Å; R315-E319 IonicContact NH1-OE2 3.2Å; R315-E319 PolarHBondContact NH1-OE2 2.87Å; R315-E319 IonicContact NH2-OE2 2.78Å; R315-E319 WeakPolarHBondContact O-CB 3.19Å; R315-E319 PolarHBondContact O-N 2.86Å; R315-L331 VanDerWaalsContact CD-O 3.32Å; R315-L331 WeakPolarHBondContact CD-O 3.44Å; R315-L331 HydrophobicContact CG-CB 3.87Å; R315-L331 PolarHBondContact NH1-O 2.94Å; R315-L333 HydrophobicContact CB-CD1 3.93Å; R315-L333 HydrophobicContact CB-CD2 4.49Å; R315-L333 HydrophobicContact CB-CG 3.95Å; R315-L333 HydrophobicContact CG-CD1 4.38Å; R315-L333 HydrophobicContact CG-CG 3.96Å
316	Q	98.6	Very high	98.1	Very high	82 Å²	82	57 Å²	57	38%	0.383	28%	0.284	S	S	.	.	H	α-helix	trans	-63.2	-43.4	179.3	-70.2	172.7	15.2	0	0	112.3	E312 H313 I314 E319 S320	E312-Q316 WeakPolarHBondContact O-CG 3.25Å; E312-Q316 PolarHBondContact O-N 3.45Å; E312-Q316 PolarHBondContact OE1-NE2 3.24Å; H313-Q316 PolarHBondContact O-N 3.27Å; I314-Q316 PolarHBondContact O-N 2.96Å; Q316-E319 PolarHBondContact O-N 3.45Å; Q316-S320 WeakPolarHBondContact O-CB 3.41Å; Q316-S320 PolarHBondContact O-N 3.09Å; Q316-S320 PolarHBondContact O-OG 2.96Å
317	N	98.4	Very high	98	Very high	71 Å²	71	56.3 Å²	56.3	38%	0.38	29%	0.287	S	S	.	.	H	α-helix	trans	-64.8	-48.7	178.3	170.9	-121.4	0	0	0	111.9	H313 I314 E319 S320 F321	H313-N317 WeakPolarHBondContact O-CB 3.23Å; H313-N317 PolarHBondContact O-N 3.16Å; I314-N317 PolarHBondContact O-N 2.7Å; N317-E319 PolarHBondContact O-N 3.19Å; N317-S320 PolarHBondContact O-N 2.84Å; N317-F321 WeakPolarHBondContact O-CB 3.41Å; N317-F321 PolarHBondContact O-N 3.45Å
318	L	98.6	Very high	97.9	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-60.4	-43.4	175.6	-70.2	171.3	0	0	0	111.8	I314 S320 F321 I322 L331 L376 L382 F398 V407	I314-L318 HydrophobicContact CG2-CD1 3.75Å; I314-L318 HydrophobicContact CG2-CG 4.27Å; I314-L318 WeakPolarHBondContact O-CB 3.24Å; I314-L318 VanDerWaalsContact O-CG 3.3Å; I314-L318 WeakPolarHBondContact O-CG 3.18Å; I314-L318 PolarHBondContact O-N 2.94Å; L318-S320 VanDerWaalsContact C-N 3.34Å; L318-S320 PolarHBondContact O-N 3.41Å; L318-F321 PolarHBondContact O-N 3.21Å; L318-I322 HydrophobicContact CB-CD1 4.44Å; L318-I322 WeakPolarHBondContact O-CB 3.5Å; L318-I322 WeakPolarHBondContact O-CD1 3.35Å; L318-I322 WeakPolarHBondContact O-CG1 3.34Å; L318-I322 PolarHBondContact O-N 3.29Å; L318-L331 HydrophobicContact CB-CD1 3.65Å; L318-L376 HydrophobicContact CD2-CD2 4.28Å; L318-L382 HydrophobicContact CD2-CD1 4Å; L318-L382 HydrophobicContact CD2-CD2 4.35Å; L318-F398 HydrophobicContact CD1-CE2 4.19Å; L318-F398 HydrophobicContact CD1-CZ 3.88Å; L318-F398 HydrophobicContact CD2-CE2 4.06Å; L318-F398 HydrophobicContact CD2-CZ 3.92Å; L318-V407 HydrophobicContact CD1-CG1 4.13Å
319	E	98.7	Very high	97.9	Very high	19 Å²	19	52 Å²	52	9%	0.089	27%	0.273	C	S	.	.	H	α-helix	trans	-61.9	-42.7	178	-179.8	173.1	-116.5	0	0	111.8	R315 Q316 N317 F321 R323 K330 L331	R315-E319 IonicContact CZ-OE2 3.38Å; R315-E319 IonicContact NH1-OE1 2.81Å; R315-E319 PolarHBondContact NH1-OE1 2.96Å; R315-E319 VanDerWaalsContact NH1-OE1 3.17Å; R315-E319 IonicContact NH1-OE2 3.2Å; R315-E319 PolarHBondContact NH1-OE2 2.87Å; R315-E319 IonicContact NH2-OE2 2.78Å; R315-E319 WeakPolarHBondContact O-CB 3.19Å; R315-E319 PolarHBondContact O-N 2.86Å; Q316-E319 PolarHBondContact O-N 3.45Å; N317-E319 PolarHBondContact O-N 3.19Å; E319-F321 VanDerWaalsContact C-N 3.31Å; E319-F321 PolarHBondContact O-N 3.38Å; E319-R323 VanDerWaalsContact CD-CZ 3.5Å; E319-R323 VanDerWaalsContact CG-CZ 3.41Å; E319-R323 WeakPolarHBondContact O-CB 3.45Å; E319-R323 WeakPolarHBondContact O-CG 3.27Å; E319-R323 PolarHBondContact O-N 3.01Å; E319-R323 VanDerWaalsContact O-N 3.15Å; E319-R323 IonicContact OE1-CZ 3.82Å; E319-R323 IonicContact OE1-NH2 2.71Å; E319-R323 PolarHBondContact OE1-NH2 3.13Å; E319-R323 IonicContact OE2-CZ 3.8Å; E319-R323 IonicContact OE2-NH1 3.34Å; E319-R323 IonicContact OE2-NH2 2.69Å; E319-K330 VanDerWaalsContact OE1-CA 3.32Å; E319-K330 WeakPolarHBondContact OE1-CA 3.03Å; E319-L331 HydrophobicContact CB-CB 4.13Å; E319-L331 HydrophobicContact CB-CD1 3.85Å; E319-L331 HydrophobicContact CB-CG 3.82Å; E319-L331 HydrophobicContact CG-CB 4.49Å; E319-L331 HydrophobicContact CG-CG 4.29Å; E319-L331 PolarHBondContact OE1-N 2.83Å
320	S	98.4	Very high	97.9	Very high	70 Å²	70	51.8 Å²	51.8	49%	0.49	27%	0.27	S	S	.	.	H	α-helix	trans	-69.4	-30.8	179.4	-55.8	0	0	0	0	112.5	Q316 N317 L318	Q316-S320 WeakPolarHBondContact O-CB 3.41Å; Q316-S320 PolarHBondContact O-N 3.09Å; Q316-S320 PolarHBondContact O-OG 2.96Å; N317-S320 PolarHBondContact O-N 2.84Å; L318-S320 VanDerWaalsContact C-N 3.34Å; L318-S320 PolarHBondContact O-N 3.41Å
321	F	98.6	Very high	98	Very high	25 Å²	25	49.9 Å²	49.9	11%	0.11	25%	0.254	C	S	.	.	H	α-helix	trans	-76	-50.9	175.4	179.2	-102.5	0	0	0	112.3	N317 L318 E319 R323 Q324 V375 K378 H379	N317-F321 WeakPolarHBondContact O-CB 3.41Å; N317-F321 PolarHBondContact O-N 3.45Å; L318-F321 PolarHBondContact O-N 3.21Å; E319-F321 VanDerWaalsContact C-N 3.31Å; E319-F321 PolarHBondContact O-N 3.38Å; F321-R323 PolarHBondContact O-N 3.4Å; F321-Q324 VanDerWaalsContact O-CB 3.25Å; F321-Q324 WeakPolarHBondContact O-CB 3.23Å; F321-Q324 VanDerWaalsContact O-CG 3.26Å; F321-Q324 WeakPolarHBondContact O-CG 3.47Å; F321-Q324 PolarHBondContact O-N 2.73Å; F321-V375 HydrophobicContact CD1-CG1 4.36Å; F321-V375 HydrophobicContact CE1-CG1 3.87Å; F321-V375 WeakPolarHBondContact CE1-O 3.38Å; F321-K378 HydrophobicContact CZ-CB 4.03Å; F321-H379 HydrophobicContact CD1-CB 4.24Å; F321-H379 AromaticContact CD1-CD2 3.82Å; F321-H379 AromaticContact CD2-CD2 3.62Å; F321-H379 HydrophobicContact CE1-CB 3.7Å; F321-H379 HydrophobicContact CE2-CB 4.27Å; F321-H379 AromaticContact CE2-CD2 3.87Å; F321-H379 AromaticContact CG-CD2 3.57Å; F321-H379 HydrophobicContact CZ-CB 3.71Å
322	I	98.4	Very high	98	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63	-29.7	-177.8	-64	162.5	0	0	0	111	L318 Q324 D325 F326 T329 L331 M352 L372 L376 I409	L318-I322 HydrophobicContact CB-CD1 4.44Å; L318-I322 WeakPolarHBondContact O-CB 3.5Å; L318-I322 WeakPolarHBondContact O-CD1 3.35Å; L318-I322 WeakPolarHBondContact O-CG1 3.34Å; L318-I322 PolarHBondContact O-N 3.29Å; I322-Q324 PolarHBondContact O-N 2.76Å; I322-Q324 VanDerWaalsContact O-N 3.14Å; I322-D325 PolarHBondContact O-N 2.78Å; I322-F326 HydrophobicContact CG2-CB 4.35Å; I322-F326 HydrophobicContact CG2-CD2 3.84Å; I322-F326 PolarHBondContact O-N 3.15Å; I322-T329 HydrophobicContact CB-CG2 4.36Å; I322-T329 HydrophobicContact CG2-CG2 3.87Å; I322-L331 HydrophobicContact CD1-CD1 4.12Å; I322-L331 HydrophobicContact CD1-CD2 4.39Å; I322-M352 HydrophobicContact CG2-CE 4.16Å; I322-M352 HydrophobicContact CG2-SD 4.32Å; I322-L372 HydrophobicContact CD1-CD1 3.82Å; I322-L372 HydrophobicContact CG1-CD1 4Å; I322-L372 HydrophobicContact CG2-CD1 3.87Å; I322-L376 HydrophobicContact CD1-CD2 4.19Å; I322-L376 HydrophobicContact CG1-CD2 4.3Å; I322-I409 HydrophobicContact CD1-CD1 3.96Å
323	R	98.3	Very high	98	Very high	93 Å²	93	49.4 Å²	49.4	35%	0.351	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-14.4	172.4	-82.5	176.5	-179.6	150.5	11.7	115.6	E319 F321 F326 T329	E319-R323 VanDerWaalsContact CD-CZ 3.5Å; E319-R323 VanDerWaalsContact CG-CZ 3.41Å; E319-R323 WeakPolarHBondContact O-CB 3.45Å; E319-R323 WeakPolarHBondContact O-CG 3.27Å; E319-R323 PolarHBondContact O-N 3.01Å; E319-R323 VanDerWaalsContact O-N 3.15Å; E319-R323 IonicContact OE1-CZ 3.82Å; E319-R323 IonicContact OE1-NH2 2.71Å; E319-R323 PolarHBondContact OE1-NH2 3.13Å; E319-R323 IonicContact OE2-CZ 3.8Å; E319-R323 IonicContact OE2-NH1 3.34Å; E319-R323 IonicContact OE2-NH2 2.69Å; F321-R323 PolarHBondContact O-N 3.4Å; R323-F326 WeakPolarHBondContact CA-O 3.5Å; R323-T329 PolarHBondContact NE-O 2.93Å; R323-T329 PolarHBondContact NH2-O 2.76Å
324	Q	97.9	Very high	98	Very high	140 Å²	140	45 Å²	45	65%	0.654	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-37.5	177.8	-61.7	173.1	14.9	0	0	111.7	F321 I322	F321-Q324 VanDerWaalsContact O-CB 3.25Å; F321-Q324 WeakPolarHBondContact O-CB 3.23Å; F321-Q324 VanDerWaalsContact O-CG 3.26Å; F321-Q324 WeakPolarHBondContact O-CG 3.47Å; F321-Q324 PolarHBondContact O-N 2.73Å; I322-Q324 PolarHBondContact O-N 2.76Å; I322-Q324 VanDerWaalsContact O-N 3.14Å
325	D	97.3	Very high	97.9	Very high	66 Å²	66	45 Å²	45	35%	0.353	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-35	174.4	-62.8	-101.9	0	0	0	112	I322 P327 V375 K378	I322-D325 PolarHBondContact O-N 2.78Å; D325-P327 WeakPolarHBondContact O-CD 3.34Å; D325-V375 HydrophobicContact CB-CG1 4.28Å; D325-V375 HydrophobicContact CB-CG2 3.56Å; D325-V375 VanDerWaalsContact CG-CG2 3.46Å; D325-V375 WeakPolarHBondContact OD2-CG1 3.42Å; D325-K378 IonicContact OD1-NZ 2.71Å; D325-K378 PolarHBondContact OD1-NZ 3.36Å; D325-K378 IonicContact OD2-NZ 2.75Å; D325-K378 PolarHBondContact OD2-NZ 3.06Å
326	F	96.3	Very high	97.8	Very high	46 Å²	46	44.1 Å²	44.1	20%	0.202	24%	0.236	C	C	.	.	S	Bend	trans	-119.7	78.7	-176.5	-59.3	-65.2	0	0	0	111.7	I322 R323 T329 E371 V375	I322-F326 HydrophobicContact CG2-CB 4.35Å; I322-F326 HydrophobicContact CG2-CD2 3.84Å; I322-F326 PolarHBondContact O-N 3.15Å; R323-F326 WeakPolarHBondContact CA-O 3.5Å; F326-T329 VanDerWaalsContact CB-OG1 3.24Å; F326-T329 WeakPolarHBondContact CB-OG1 3.49Å; F326-T329 VanDerWaalsContact O-CB 3.3Å; F326-T329 WeakPolarHBondContact O-CB 3.34Å; F326-T329 PolarHBondContact O-N 2.83Å; F326-T329 PolarHBondContact O-OG1 2.91Å; F326-E371 HydrophobicContact CZ-CB 3.85Å; F326-V375 HydrophobicContact CD2-CG2 4.25Å; F326-V375 HydrophobicContact CE2-CB 4.27Å; F326-V375 HydrophobicContact CE2-CG2 3.53Å; F326-V375 HydrophobicContact CZ-CG2 4.16Å
327	P	96	Very high	97.8	Very high	104 Å²	104	40.9 Å²	40.9	68%	0.675	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	146.5	176.1	25.3	-34.8	0	0	0	111.1	D325 T329	D325-P327 WeakPolarHBondContact O-CD 3.34Å; P327-T329 VanDerWaalsContact C-N 3.27Å; P327-T329 PolarHBondContact O-N 3.4Å
328	G	94.9	Very high	97.8	Very high	28 Å²	28	41.7 Å²	41.7	29%	0.289	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	-9.1	-174.6	0	0	0	0	0	115.3	K330 N355	G328-K330 PolarHBondContact O-N 3.32Å; G328-N355 WeakPolarHBondContact O-CB 3.21Å; G328-N355 VanDerWaalsContact O-CG 3.3Å; G328-N355 PolarHBondContact O-N 3.3Å; G328-N355 PolarHBondContact O-ND2 2.91Å
329	T	98.1	Very high	97.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50	136.6	173.7	-67.7	0	0	0	0	112.1	I322 R323 F326 P327 L331 M352	I322-T329 HydrophobicContact CB-CG2 4.36Å; I322-T329 HydrophobicContact CG2-CG2 3.87Å; R323-T329 PolarHBondContact NE-O 2.93Å; R323-T329 PolarHBondContact NH2-O 2.76Å; F326-T329 VanDerWaalsContact CB-OG1 3.24Å; F326-T329 WeakPolarHBondContact CB-OG1 3.49Å; F326-T329 VanDerWaalsContact O-CB 3.3Å; F326-T329 WeakPolarHBondContact O-CB 3.34Å; F326-T329 PolarHBondContact O-N 2.83Å; F326-T329 PolarHBondContact O-OG1 2.91Å; P327-T329 VanDerWaalsContact C-N 3.27Å; P327-T329 PolarHBondContact O-N 3.4Å; T329-L331 HydrophobicContact CG2-CD2 4.03Å; T329-L331 HydrophobicContact CG2-CG 4.42Å; T329-M352 HydrophobicContact CG2-CE 3.93Å; T329-M352 HydrophobicContact CG2-CG 4.17Å; T329-M352 HydrophobicContact CG2-SD 4.14Å
330	K	98.3	Very high	97.6	Very high	94 Å²	94	42.3 Å²	42.3	41%	0.409	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	126.9	171.4	178.4	-177.7	175.5	-175.8	0	109.1	E319 G328 M352 T353	E319-K330 VanDerWaalsContact OE1-CA 3.32Å; E319-K330 WeakPolarHBondContact OE1-CA 3.03Å; G328-K330 PolarHBondContact O-N 3.32Å; K330-M352 WeakPolarHBondContact O-CA 3.34Å; K330-T353 PolarHBondContact N-O 2.88Å; K330-T353 PolarHBondContact O-N 2.84Å
331	L	98.6	Very high	97.6	Very high	3 Å²	3	39 Å²	39	2%	0.016	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	131.5	172.2	-59.1	-170.7	0	0	0	110	R315 L318 E319 I322 T329 V350 C351 M352	R315-L331 VanDerWaalsContact CD-O 3.32Å; R315-L331 WeakPolarHBondContact CD-O 3.44Å; R315-L331 HydrophobicContact CG-CB 3.87Å; R315-L331 PolarHBondContact NH1-O 2.94Å; L318-L331 HydrophobicContact CB-CD1 3.65Å; E319-L331 HydrophobicContact CB-CB 4.13Å; E319-L331 HydrophobicContact CB-CD1 3.85Å; E319-L331 HydrophobicContact CB-CG 3.82Å; E319-L331 HydrophobicContact CG-CB 4.49Å; E319-L331 HydrophobicContact CG-CG 4.29Å; E319-L331 PolarHBondContact OE1-N 2.83Å; I322-L331 HydrophobicContact CD1-CD1 4.12Å; I322-L331 HydrophobicContact CD1-CD2 4.39Å; T329-L331 HydrophobicContact CG2-CD2 4.03Å; T329-L331 HydrophobicContact CG2-CG 4.42Å; L331-V350 HydrophobicContact CB-CG1 3.98Å; L331-V350 HydrophobicContact CD1-CG1 4.18Å; L331-V350 HydrophobicContact CD2-CG1 4.03Å; L331-V350 HydrophobicContact CG-CG1 4.29Å; L331-C351 CarbonylContact C-O 3.17Å; L331-C351 WeakPolarHBondContact CA-O 3.24Å; L331-M352 HydrophobicContact CD2-CB 3.67Å; L331-M352 HydrophobicContact CD2-CG 3.94Å; L331-M352 HydrophobicContact CD2-SD 4.29Å
332	S	98.5	Very high	97.5	Very high	25 Å²	25	38 Å²	38	18%	0.175	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	122.6	176	-54	0	0	0	0	109.2	C351	S332-C351 PolarHBondContact N-O 2.91Å; S332-C351 PolarHBondContact O-N 3.4Å
333	L	98.5	Very high	97.5	Very high	13 Å²	13	38.9 Å²	38.9	7%	0.068	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	139.1	172.5	-78.8	168.2	0	0	0	110	R315 K338 L348 D349 V350	R315-L333 HydrophobicContact CB-CD1 3.93Å; R315-L333 HydrophobicContact CB-CD2 4.49Å; R315-L333 HydrophobicContact CB-CG 3.95Å; R315-L333 HydrophobicContact CG-CD1 4.38Å; R315-L333 HydrophobicContact CG-CG 3.96Å; L333-K338 HydrophobicContact CB-CD 4.31Å; L333-K338 VanDerWaalsContact CB-CE 3.47Å; L333-K338 HydrophobicContact CB-CG 3.79Å; L333-L348 HydrophobicContact CD2-CD1 3.39Å; L333-L348 HydrophobicContact CD2-CD2 4.25Å; L333-L348 HydrophobicContact CD2-CG 3.59Å; L333-D349 WeakPolarHBondContact CA-O 3.39Å; L333-V350 HydrophobicContact CD2-CG2 3.86Å
334	F	98.1	Very high	97.4	Very high	23 Å²	23	37.3 Å²	37.3	10%	0.101	21%	0.205	C	C	.	.			trans	-133.4	-161.6	175.9	77	-84.6	0	0	0	111.1	S337 D349 V350 C351 A416 L417 T420	F334-S337 PolarHBondContact O-N 3.11Å; F334-D349 HydrophobicContact CD1-CB 3.88Å; F334-D349 WeakPolarHBondContact CD1-O 3.47Å; F334-D349 HydrophobicContact CD2-CB 4.07Å; F334-D349 HydrophobicContact CE1-CB 3.82Å; F334-D349 HydrophobicContact CE2-CB 4Å; F334-D349 HydrophobicContact CG-CB 4Å; F334-D349 HydrophobicContact CZ-CB 3.88Å; F334-D349 PolarHBondContact N-O 2.95Å; F334-V350 VanDerWaalsContact CE1-C 3.41Å; F334-C351 HydrophobicContact CD1-CB 3.88Å; F334-C351 HydrophobicContact CE1-CB 4.2Å; F334-A416 HydrophobicContact CD2-CB 3.53Å; F334-A416 HydrophobicContact CE2-CB 3.54Å; F334-A416 HydrophobicContact CG-CB 4.39Å; F334-A416 HydrophobicContact CZ-CB 4.38Å; F334-L417 HydrophobicContact CB-CD2 3.8Å; F334-L417 HydrophobicContact CB-CG 4.5Å; F334-T420 HydrophobicContact CB-CG2 4.49Å
335	G	96.9	Very high	97.2	Very high	10 Å²	10	37 Å²	37	10%	0.103	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	60.3	-139.4	167	0	0	0	0	0	112.7	S337 K338 N339 D349 T420	G335-S337 PolarHBondContact O-N 3.48Å; G335-K338 PolarHBondContact O-N 3.06Å; G335-N339 WeakPolarHBondContact O-CB 3.4Å; G335-N339 PolarHBondContact O-N 3.38Å; G335-N339 PolarHBondContact O-ND2 2.79Å; G335-N339 PolarHBondContact O-OD1 3.19Å; G335-D349 WeakPolarHBondContact CA-OD2 3.37Å; G335-T420 PolarHBondContact N-OG1 2.93Å
336	S	96.6	Very high	97.1	Very high	15 Å²	15	34.8 Å²	34.8	11%	0.105	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-64	-24.8	-173.4	66.5	0	0	0	0	113.2	K338 G342 S346 D349	S336-K338 PolarHBondContact O-N 2.98Å; S336-G342 WeakPolarHBondContact O-CA 3.38Å; S336-G342 PolarHBondContact O-N 3.19Å; S336-S346 WeakPolarHBondContact OG-CB 3.33Å; S336-D349 PolarHBondContact N-OD2 3.35Å; S336-D349 PolarHBondContact OG-OD2 3.4Å; S336-D349 VanDerWaalsContact OG-OD2 3.11Å
337	S	97.7	Very high	97.1	Very high	14 Å²	14	35.7 Å²	35.7	10%	0.098	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-81	-7.1	-178.4	-62.7	0	0	0	0	114.5	R311 F334 G335	R311-S337 PolarHBondContact NH1-OG 2.94Å; F334-S337 PolarHBondContact O-N 3.11Å; G335-S337 PolarHBondContact O-N 3.48Å
338	K	98.3	Very high	97.2	Very high	87 Å²	87	30.7 Å²	30.7	38%	0.378	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-138.3	-11	177.1	-62.2	-68.3	-174.7	-177.9	0	114.6	E312 L333 G335 S336 G340 T420 S424	E312-K338 IonicContact OE2-NZ 3.88Å; E312-K338 PolarHBondContact OE2-NZ 3Å; L333-K338 HydrophobicContact CB-CD 4.31Å; L333-K338 VanDerWaalsContact CB-CE 3.47Å; L333-K338 HydrophobicContact CB-CG 3.79Å; G335-K338 PolarHBondContact O-N 3.06Å; S336-K338 PolarHBondContact O-N 2.98Å; K338-G340 VanDerWaalsContact C-N 3.3Å; K338-G340 PolarHBondContact O-N 3.03Å; K338-T420 HydrophobicContact CB-CG2 3.72Å; K338-S424 PolarHBondContact O-OG 3.25Å; K338-S424 VanDerWaalsContact O-OG 3.09Å
339	N	97.6	Very high	97.3	Very high	9 Å²	9	31 Å²	31	5%	0.048	16%	0.163	C	C	.	.	S	Bend	trans	-83.5	5.7	-179.2	76.9	4.6	0	0	0	115.5	G335 F341 T420 L423 S424	G335-N339 WeakPolarHBondContact O-CB 3.4Å; G335-N339 PolarHBondContact O-N 3.38Å; G335-N339 PolarHBondContact O-ND2 2.79Å; G335-N339 PolarHBondContact O-OD1 3.19Å; N339-F341 VanDerWaalsContact C-N 3.33Å; N339-F341 WeakPolarHBondContact O-CD2 3.4Å; N339-F341 PolarHBondContact O-N 2.84Å; N339-F341 WeakPolarHBondContact OD1-CB 3.36Å; N339-F341 PolarHBondContact OD1-N 3.01Å; N339-T420 HydrophobicContact CB-CG2 4.03Å; N339-L423 HydrophobicContact CB-CB 3.87Å; N339-L423 CarbonylContact O-C 3.53Å; N339-S424 WeakPolarHBondContact O-CA 3.36Å; N339-S424 PolarHBondContact O-N 2.9Å
340	G	97	Very high	97.3	Very high	23 Å²	23	31 Å²	31	24%	0.237	16%	0.163	C	C	.	.	S	Bend	trans	82.9	-2	179.9	0	0	0	0	0	115.8	K338 Y438	K338-G340 VanDerWaalsContact C-N 3.3Å; K338-G340 PolarHBondContact O-N 3.03Å; G340-Y438 WeakPolarHBondContact O-CE2 3.21Å; G340-Y438 PolarHBondContact O-OH 3.25Å
341	F	97.9	Very high	97.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.144	C	C	.	.			trans	-119.5	24.3	-174.5	-48.9	-58.5	0	0	0	114.5	N339 L423 S427 V433 K434 C437 Y438 K441 T463	N339-F341 VanDerWaalsContact C-N 3.33Å; N339-F341 WeakPolarHBondContact O-CD2 3.4Å; N339-F341 PolarHBondContact O-N 2.84Å; N339-F341 WeakPolarHBondContact OD1-CB 3.36Å; N339-F341 PolarHBondContact OD1-N 3.01Å; F341-L423 HydrophobicContact CD2-CB 4.41Å; F341-L423 HydrophobicContact CD2-CD2 4.49Å; F341-L423 HydrophobicContact CE2-CB 3.92Å; F341-L423 HydrophobicContact CE2-CD2 4.45Å; F341-L423 HydrophobicContact CE2-CG 4.14Å; F341-S427 VanDerWaalsContact CZ-CB 3.5Å; F341-V433 HydrophobicContact CE1-CG1 4.23Å; F341-V433 HydrophobicContact CZ-CG1 3.99Å; F341-K434 HydrophobicContact CD1-CG 4.31Å; F341-K434 HydrophobicContact CE1-CG 3.97Å; F341-C437 HydrophobicContact CD1-CB 3.43Å; F341-C437 VanDerWaalsContact CD1-CB 3.43Å; F341-C437 HydrophobicContact CE1-CB 3.57Å; F341-C437 HydrophobicContact CG-CB 4Å; F341-C437 HydrophobicContact CZ-CB 4.23Å; F341-Y438 HydrophobicContact CB-CE2 4.43Å; F341-Y438 HydrophobicContact CD1-CD2 4.41Å; F341-Y438 HydrophobicContact CD1-CE2 4.23Å; F341-K441 PolarHBondContact O-NZ 2.79Å; F341-T463 HydrophobicContact CD2-CG2 3.71Å; F341-T463 HydrophobicContact CE2-CG2 3.7Å
342	G	96.1	Very high	97.3	Very high	6 Å²	6	26.5 Å²	26.5	6%	0.062	14%	0.143	C	C	.	.			trans	-67.9	149.2	179.2	0	0	0	0	0	113.7	P303 S336 Y438	P303-G342 VanDerWaalsContact CD-O 3.27Å; P303-G342 WeakPolarHBondContact CD-O 3.25Å; S336-G342 WeakPolarHBondContact O-CA 3.38Å; S336-G342 PolarHBondContact O-N 3.19Å; G342-Y438 WeakPolarHBondContact O-CE1 3.14Å; G342-Y438 PolarHBondContact O-OH 3.42Å
343	F	98	Very high	97.3	Very high	18 Å²	18	26.6 Å²	26.6	8%	0.079	14%	0.143	C	C	.	.			trans	-100.2	155.4	161.7	-80.4	11.5	0	0	0	109.8	F301 R311 Q345 S346 Y438 K441 V442 K445	F301-F343 HydrophobicContact CB-CD1 3.88Å; F301-F343 HydrophobicContact CB-CD2 4.1Å; F301-F343 HydrophobicContact CB-CE1 3.84Å; F301-F343 HydrophobicContact CB-CE2 4.07Å; F301-F343 HydrophobicContact CB-CG 4.01Å; F301-F343 HydrophobicContact CB-CZ 3.94Å; F301-F343 HydrophobicContact CG-CD2 4.49Å; F301-F343 HydrophobicContact CG-CE2 4.2Å; F301-F343 HydrophobicContact CG-CZ 4.28Å; F301-F343 CarbonylContact O-C 3.56Å; F301-F343 WeakPolarHBondContact O-CA 3.23Å; R311-F343 PolarHBondContact NH2-O 3.47Å; F343-Q345 PolarHBondContact O-N 3Å; F343-Q345 VanDerWaalsContact O-N 3.09Å; F343-S346 PolarHBondContact N-OG 3.47Å; F343-S346 WeakPolarHBondContact O-CB 3.42Å; F343-S346 PolarHBondContact O-N 3.15Å; F343-Y438 AromaticContact CD1-CD1 3.92Å; F343-Y438 HydrophobicContact CD1-CD1 3.92Å; F343-Y438 AromaticContact CD1-CE1 3.97Å; F343-Y438 HydrophobicContact CD1-CE1 3.97Å; F343-Y438 AromaticContact CE1-CD1 3.54Å; F343-Y438 HydrophobicContact CE1-CD1 3.54Å; F343-Y438 HydrophobicContact CE1-CE1 4.08Å; F343-Y438 HydrophobicContact CE1-CG 4.21Å; F343-K441 HydrophobicContact CD1-CD 3.83Å; F343-K441 HydrophobicContact CD1-CG 4.37Å; F343-K441 HydrophobicContact CD2-CD 4.49Å; F343-K441 HydrophobicContact CE1-CB 3.87Å; F343-K441 HydrophobicContact CE1-CD 3.7Å; F343-K441 HydrophobicContact CE1-CG 3.82Å; F343-K441 HydrophobicContact CE2-CB 4.48Å; F343-K441 HydrophobicContact CE2-CD 4.39Å; F343-K441 HydrophobicContact CE2-CG 3.98Å; F343-K441 HydrophobicContact CG-CD 4.24Å; F343-K441 HydrophobicContact CZ-CB 3.68Å; F343-K441 HydrophobicContact CZ-CD 4Å; F343-K441 HydrophobicContact CZ-CG 3.61Å; F343-V442 HydrophobicContact CE2-CG2 4.34Å; F343-V442 HydrophobicContact CZ-CG2 3.76Å; F343-K445 HydrophobicContact CD2-CD 4.5Å; F343-K445 HydrophobicContact CE2-CD 4.34Å
344	K	97.1	Very high	97.2	Very high	60 Å²	60	28.1 Å²	28.1	26%	0.261	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-41.9	-48.2	174.5	-67.3	-171.7	177.8	-53.8	0	112.9	D300 F301 S302 E307 R311	D300-K344 WeakPolarHBondContact O-CE 3.31Å; F301-K344 PolarHBondContact O-N 3.22Å; S302-K344 WeakPolarHBondContact O-CE 3.29Å; S302-K344 WeakPolarHBondContact O-CG 3.41Å; S302-K344 PolarHBondContact O-NZ 3.12Å; E307-K344 WeakPolarHBondContact OE1-CB 3.42Å; E307-K344 WeakPolarHBondContact OE1-CD 3.31Å; E307-K344 VanDerWaalsContact OE1-CG 3.31Å; E307-K344 WeakPolarHBondContact OE1-CG 3.41Å; E307-K344 IonicContact OE1-NZ 2.68Å; E307-K344 IonicContact OE2-NZ 3.25Å; E307-K344 PolarHBondContact OE2-NZ 2.82Å; R311-K344 PolarHBondContact NH2-O 2.72Å
345	Q	94.4	Very high	96.9	Very high	133 Å²	133	31.6 Å²	31.6	62%	0.621	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.7	27.9	-177.6	-57.7	-60.8	-40.5	0	0	113.1	F343	F343-Q345 PolarHBondContact O-N 3Å; F343-Q345 VanDerWaalsContact O-N 3.09Å
346	S	95.1	Very high	96.6	Very high	20 Å²	20	35.6 Å²	35.6	14%	0.14	21%	0.212	C	C	.	.			trans	-71.1	143.1	167.1	-77	0	0	0	0	111	R311 S336 F343	R311-S346 VanDerWaalsContact CZ-O 3.31Å; R311-S346 PolarHBondContact NH1-O 3.4Å; R311-S346 PolarHBondContact NH2-O 3.16Å; S336-S346 WeakPolarHBondContact OG-CB 3.33Å; F343-S346 PolarHBondContact N-OG 3.47Å; F343-S346 WeakPolarHBondContact O-CB 3.42Å; F343-S346 PolarHBondContact O-N 3.15Å
347	D	95.4	Very high	96.3	Very high	64 Å²	64	37.8 Å²	37.8	34%	0.342	22%	0.222	S	C	.	.			trans	-49.5	156.4	167.3	-55.6	53.8	0	0	0	111.8	R311 K397 E406	R311-D347 PolarHBondContact NH1-O 2.89Å; D347-K397 IonicContact OD2-NZ 3Å; D347-K397 PolarHBondContact OD2-NZ 2.97Å; D347-E406 CarbonylContact C-O 3.59Å; D347-E406 WeakPolarHBondContact CA-O 3.44Å
348	L	97.6	Very high	95.9	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	94.4	-179	-167.8	70.1	0	0	0	110.3	R311 I314 L333 V350 E406 V407 D408	R311-L348 HydrophobicContact CB-CD1 3.71Å; R311-L348 HydrophobicContact CG-CD1 3.79Å; I314-L348 HydrophobicContact CB-CD2 3.94Å; I314-L348 HydrophobicContact CD1-CD2 4.49Å; I314-L348 HydrophobicContact CG2-CD2 3.48Å; I314-L348 VanDerWaalsContact CG2-CD2 3.48Å; L333-L348 HydrophobicContact CD2-CD1 3.39Å; L333-L348 HydrophobicContact CD2-CD2 4.25Å; L333-L348 HydrophobicContact CD2-CG 3.59Å; L348-V350 HydrophobicContact CG-CG2 4.26Å; L348-V350 PolarHBondContact O-N 3.49Å; L348-E406 PolarHBondContact N-O 2.78Å; L348-V407 HydrophobicContact CB-CB 4.3Å; L348-V407 HydrophobicContact CB-CG1 4.16Å; L348-V407 HydrophobicContact CB-CG2 4.04Å; L348-V407 HydrophobicContact CD2-CG1 4.2Å; L348-V407 HydrophobicContact CD2-CG2 4.09Å; L348-V407 HydrophobicContact CG-CG1 4.47Å; L348-D408 PolarHBondContact O-N 3.17Å
349	D	98.1	Very high	95.5	Very high	35 Å²	35	44.3 Å²	44.3	19%	0.187	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	113.3	179.5	-50.3	-70.9	0	0	0	111.2	L333 F334 G335 S336	L333-D349 WeakPolarHBondContact CA-O 3.39Å; F334-D349 HydrophobicContact CD1-CB 3.88Å; F334-D349 WeakPolarHBondContact CD1-O 3.47Å; F334-D349 HydrophobicContact CD2-CB 4.07Å; F334-D349 HydrophobicContact CE1-CB 3.82Å; F334-D349 HydrophobicContact CE2-CB 4Å; F334-D349 HydrophobicContact CG-CB 4Å; F334-D349 HydrophobicContact CZ-CB 3.88Å; F334-D349 PolarHBondContact N-O 2.95Å; G335-D349 WeakPolarHBondContact CA-OD2 3.37Å; S336-D349 PolarHBondContact N-OD2 3.35Å; S336-D349 PolarHBondContact OG-OD2 3.4Å; S336-D349 VanDerWaalsContact OG-OD2 3.11Å
350	V	98.6	Very high	95.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	129.5	-177.5	-179.9	0	0	0	0	111.9	L331 L333 F334 L348 V407 D408 I409 S410	L331-V350 HydrophobicContact CB-CG1 3.98Å; L331-V350 HydrophobicContact CD1-CG1 4.18Å; L331-V350 HydrophobicContact CD2-CG1 4.03Å; L331-V350 HydrophobicContact CG-CG1 4.29Å; L333-V350 HydrophobicContact CD2-CG2 3.86Å; F334-V350 VanDerWaalsContact CE1-C 3.41Å; L348-V350 HydrophobicContact CG-CG2 4.26Å; L348-V350 PolarHBondContact O-N 3.49Å; V350-V407 HydrophobicContact CG2-CG1 4.05Å; V350-D408 PolarHBondContact N-O 3.24Å; V350-I409 HydrophobicContact CB-CG1 4.04Å; V350-I409 HydrophobicContact CG1-CG1 4.14Å; V350-I409 HydrophobicContact CG1-CG2 4.33Å; V350-I409 WeakPolarHBondContact O-CA 3.35Å; V350-S410 PolarHBondContact O-N 3.16Å; V350-S410 PolarHBondContact O-OG 2.88Å; V350-S410 VanDerWaalsContact O-OG 3.11Å
351	C	98.4	Very high	94.8	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	122.6	171.5	179.5	0	0	0	0	109.3	L331 S332 F334 S410 N413 L417	L331-C351 CarbonylContact C-O 3.17Å; L331-C351 WeakPolarHBondContact CA-O 3.24Å; S332-C351 PolarHBondContact N-O 2.91Å; S332-C351 PolarHBondContact O-N 3.4Å; F334-C351 HydrophobicContact CD1-CB 3.88Å; F334-C351 HydrophobicContact CE1-CB 4.2Å; C351-S410 WeakPolarHBondContact CA-O 3.41Å; C351-N413 PolarHBondContact SG-N 2.81Å; C351-L417 HydrophobicContact CB-CD1 4.29Å; C351-L417 HydrophobicContact CB-CD2 4.37Å; C351-L417 HydrophobicContact CB-CG 4.34Å
352	M	98.4	Very high	94.2	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.005	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	131.1	176.3	171.8	168.4	167.9	0	0	110.4	I322 T329 K330 L331 L372 I409 S410 L411 Y412	I322-M352 HydrophobicContact CG2-CE 4.16Å; I322-M352 HydrophobicContact CG2-SD 4.32Å; T329-M352 HydrophobicContact CG2-CE 3.93Å; T329-M352 HydrophobicContact CG2-CG 4.17Å; T329-M352 HydrophobicContact CG2-SD 4.14Å; K330-M352 WeakPolarHBondContact O-CA 3.34Å; L331-M352 HydrophobicContact CD2-CB 3.67Å; L331-M352 HydrophobicContact CD2-CG 3.94Å; L331-M352 HydrophobicContact CD2-SD 4.29Å; M352-L372 HydrophobicContact SD-CD1 4.1Å; M352-L372 HydrophobicContact SD-CD2 3.85Å; M352-I409 HydrophobicContact CB-CG2 3.7Å; M352-S410 PolarHBondContact N-O 2.79Å; M352-L411 HydrophobicContact CB-CD2 4.08Å; M352-L411 HydrophobicContact CG-CD2 3.93Å; M352-L411 HydrophobicContact SD-CD2 4.11Å; M352-Y412 PolarHBondContact O-N 3.48Å
353	T	97.3	Very high	94	Very high	27 Å²	27	57.9 Å²	57.9	17%	0.166	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	169.7	170.4	61.6	0	0	0	0	110.4	K330 Y412	K330-T353 PolarHBondContact N-O 2.88Å; K330-T353 PolarHBondContact O-N 2.84Å; T353-Y412 HydrophobicContact CG2-CD1 3.78Å; T353-Y412 HydrophobicContact CG2-CD2 4.28Å; T353-Y412 HydrophobicContact CG2-CE1 3.83Å; T353-Y412 HydrophobicContact CG2-CE2 4.32Å; T353-Y412 HydrophobicContact CG2-CG 4.01Å
354	I	95.7	Very high	93.8	Very high	46 Å²	46	61.2 Å²	61.2	24%	0.236	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	121.6	179	-56.1	175.1	0	0	0	108.4	G356 L357 L363 Y412	I354-G356 PolarHBondContact O-N 3.41Å; I354-L357 PolarHBondContact O-N 3.04Å; I354-L357 VanDerWaalsContact O-O 3.13Å; I354-L363 HydrophobicContact CD1-CD1 4.4Å; I354-Y412 PolarHBondContact N-OH 3.35Å; I354-Y412 PolarHBondContact O-OH 2.85Å
355	N	92.9	Very high	93.6	Very high	96 Å²	96	59.9 Å²	59.9	51%	0.513	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	127.6	179	-69.2	-27.6	0	0	0	110.6	G328	G328-N355 WeakPolarHBondContact O-CB 3.21Å; G328-N355 VanDerWaalsContact O-CG 3.3Å; G328-N355 PolarHBondContact O-N 3.3Å; G328-N355 PolarHBondContact O-ND2 2.91Å
356	G	90.1	Very high	93.6	Very high	94 Å²	94	56.9 Å²	56.9	97%	0.969	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.8	-8.4	-174.4	0	0	0	0	0	114.4	I354	I354-G356 PolarHBondContact O-N 3.41Å
357	L	91.3	Very high	93.6	Very high	61 Å²	61	62.6 Å²	62.6	32%	0.319	37%	0.368	S	S	.	.			trans	-119.9	111.9	171.7	177.2	63.7	0	0	0	109.1	I354 T359 L363 Y412	I354-L357 PolarHBondContact O-N 3.04Å; I354-L357 VanDerWaalsContact O-O 3.13Å; L357-T359 WeakPolarHBondContact CG-O 3.38Å; L357-L363 HydrophobicContact CD2-CB 4.28Å; L357-Y412 WeakPolarHBondContact CB-OH 3.37Å; L357-Y412 WeakPolarHBondContact O-CE1 3.27Å; L357-Y412 PolarHBondContact O-OH 2.99Å
358	E	87.8	Confident	93.7	Very high	184 Å²	184	60.2 Å²	60.2	86%	0.86	36%	0.356	S	S	*	.			trans	-77.6	-39.7	-166.7	-173.4	161.8	-156.1	0	0	113.7
359	T	91.4	Very high	93.7	Very high	53 Å²	53	60.2 Å²	60.2	33%	0.325	36%	0.356	S	S	.	.	S	Bend	trans	-121.5	176.3	179	66	0	0	0	0	110.8	L357 E361 Y412	L357-T359 WeakPolarHBondContact CG-O 3.38Å; T359-E361 PolarHBondContact O-N 3.4Å; T359-E361 VanDerWaalsContact OG1-CB 3.23Å; T359-E361 WeakPolarHBondContact OG1-CB 3.41Å; T359-E361 PolarHBondContact OG1-N 2.87Å; T359-Y412 VanDerWaalsContact C-CD1 3.46Å; T359-Y412 VanDerWaalsContact C-CE1 3.47Å; T359-Y412 WeakPolarHBondContact O-CE1 3.2Å
360	A	90	Very high	93.6	Very high	39 Å²	39	62.9 Å²	62.9	32%	0.322	37%	0.367	S	S	.	.	S	Bend	trans	-74.6	1.1	170.2	0	0	0	0	0	113.7	G362 L363 Y412	A360-G362 PolarHBondContact O-N 2.95Å; A360-L363 WeakPolarHBondContact O-CB 3.44Å; A360-L363 PolarHBondContact O-N 3.2Å; A360-Y412 HydrophobicContact CB-CD2 4.4Å; A360-Y412 HydrophobicContact CB-CG 3.99Å
361	E	88.6	Confident	93.6	Very high	161 Å²	161	64.8 Å²	64.8	75%	0.752	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	125.2	-175	-164.7	173.6	173.5	0	0	110.7	T359 L363	T359-E361 PolarHBondContact O-N 3.4Å; T359-E361 VanDerWaalsContact OG1-CB 3.23Å; T359-E361 WeakPolarHBondContact OG1-CB 3.41Å; T359-E361 PolarHBondContact OG1-N 2.87Å; E361-L363 VanDerWaalsContact C-N 3.31Å
362	G	86.6	Confident	93.6	Very high	88 Å²	88	64.8 Å²	64.8	91%	0.907	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.2	-2.2	-171.6	0	0	0	0	0	115.5	A360	A360-G362 PolarHBondContact O-N 2.95Å
363	L	91	Very high	93.6	Very high	35 Å²	35	64.8 Å²	64.8	18%	0.183	38%	0.376	C	S	.	.			trans	-95.4	117.8	173.9	-174.4	67.4	0	0	0	111.4	I354 L357 A360 E361 C365 T368 Y412	I354-L363 HydrophobicContact CD1-CD1 4.4Å; L357-L363 HydrophobicContact CD2-CB 4.28Å; A360-L363 WeakPolarHBondContact O-CB 3.44Å; A360-L363 PolarHBondContact O-N 3.2Å; E361-L363 VanDerWaalsContact C-N 3.31Å; L363-C365 VanDerWaalsContact C-N 3.31Å; L363-C365 PolarHBondContact O-N 3.47Å; L363-C365 PolarHBondContact O-SG 2.95Å; L363-C365 VanDerWaalsContact O-SG 3.37Å; L363-T368 WeakPolarHBondContact CD1-OG1 3.38Å; L363-Y412 HydrophobicContact CD2-CD2 3.83Å; L363-Y412 HydrophobicContact CD2-CE2 3.67Å
364	D	94.1	Very high	93.6	Very high	88 Å²	88	69.5 Å²	69.5	47%	0.471	39%	0.391	S	S	.	.			trans	-68.4	90.3	167.9	-178.4	-13.3	0	0	0	109.8	V366 R367 T368	D364-V366 VanDerWaalsContact C-N 3.3Å; D364-V366 PolarHBondContact O-N 3.42Å; D364-V366 PolarHBondContact OD1-N 2.96Å; D364-R367 HydrophobicContact CB-CB 4.09Å; D364-R367 WeakPolarHBondContact OD1-CB 3.37Å; D364-R367 PolarHBondContact OD1-N 2.6Å; D364-R367 WeakPolarHBondContact OD2-CB 3.41Å; D364-T368 VanDerWaalsContact O-CB 3.22Å; D364-T368 WeakPolarHBondContact O-CB 3.07Å; D364-T368 PolarHBondContact O-N 3.5Å; D364-T368 PolarHBondContact O-OG1 2.93Å
365	C	93	Very high	93.7	Very high	33 Å²	33	67.6 Å²	67.6	22%	0.223	38%	0.382	C	S	.	.	H	α-helix	trans	-67.1	-29.5	-175.6	-68.7	0	0	0	0	112.9	L363 I369 L411	L363-C365 VanDerWaalsContact C-N 3.31Å; L363-C365 PolarHBondContact O-N 3.47Å; L363-C365 PolarHBondContact O-SG 2.95Å; L363-C365 VanDerWaalsContact O-SG 3.37Å; C365-I369 WeakPolarHBondContact O-CG1 3.41Å; C365-I369 PolarHBondContact O-N 3.02Å; C365-L411 HydrophobicContact CB-CD1 3.98Å; C365-L411 WeakPolarHBondContact O-CD1 3.24Å
366	V	93.9	Very high	94	Very high	70 Å²	70	63 Å²	63	42%	0.424	36%	0.357	S	S	.	.	H	α-helix	trans	-70.5	-52	179.1	173.1	0	0	0	0	109.4	D364 T368 I369 E370 T389	D364-V366 VanDerWaalsContact C-N 3.3Å; D364-V366 PolarHBondContact O-N 3.42Å; D364-V366 PolarHBondContact OD1-N 2.96Å; V366-T368 VanDerWaalsContact C-N 3.33Å; V366-T368 PolarHBondContact O-N 3.3Å; V366-I369 PolarHBondContact O-N 3.18Å; V366-E370 PolarHBondContact O-N 2.83Å; V366-T389 HydrophobicContact CG1-CG2 4Å
367	R	96	Very high	94.4	Very high	140 Å²	140	64.8 Å²	64.8	53%	0.528	34%	0.335	S	S	.	.	H	α-helix	trans	-61.4	-41.1	175.4	-179.3	-179.9	165.1	171.7	-3.3	111.9	D364 I369 E370 E371	D364-R367 HydrophobicContact CB-CB 4.09Å; D364-R367 WeakPolarHBondContact OD1-CB 3.37Å; D364-R367 PolarHBondContact OD1-N 2.6Å; D364-R367 WeakPolarHBondContact OD2-CB 3.41Å; R367-I369 VanDerWaalsContact C-N 3.32Å; R367-I369 PolarHBondContact O-N 3.04Å; R367-E370 WeakPolarHBondContact O-CB 3.47Å; R367-E370 PolarHBondContact O-N 3.39Å; R367-E371 HydrophobicContact CG-CG 4.22Å; R367-E371 IonicContact CZ-OE1 2.7Å; R367-E371 VanDerWaalsContact CZ-OE1 3.32Å; R367-E371 IonicContact NE-OE1 3.29Å; R367-E371 PolarHBondContact NE-OE1 2.95Å; R367-E371 IonicContact NH2-OE1 3.57Å; R367-E371 PolarHBondContact NH2-OE1 3Å; R367-E371 WeakPolarHBondContact O-CG 3.44Å; R367-E371 PolarHBondContact O-N 3.41Å
368	T	96.6	Very high	94.7	Very high	14 Å²	14	67.8 Å²	67.8	9%	0.086	35%	0.345	C	S	.	.	H	α-helix	trans	-62.1	-38	178.3	-57.8	0	0	0	0	111.7	L363 D364 V366 E370 E371 L372 L411	L363-T368 WeakPolarHBondContact CD1-OG1 3.38Å; D364-T368 VanDerWaalsContact O-CB 3.22Å; D364-T368 WeakPolarHBondContact O-CB 3.07Å; D364-T368 PolarHBondContact O-N 3.5Å; D364-T368 PolarHBondContact O-OG1 2.93Å; V366-T368 VanDerWaalsContact C-N 3.33Å; V366-T368 PolarHBondContact O-N 3.3Å; T368-E370 VanDerWaalsContact C-N 3.35Å; T368-E370 PolarHBondContact O-N 3.12Å; T368-E371 PolarHBondContact O-N 2.94Å; T368-L372 WeakPolarHBondContact O-CB 3.34Å; T368-L372 PolarHBondContact O-N 2.82Å; T368-L411 HydrophobicContact CG2-CD1 3.61Å; T368-L411 HydrophobicContact CG2-CD2 3.9Å; T368-L411 HydrophobicContact CG2-CG 4.43Å
369	I	97.5	Very high	95.2	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-63.2	-38.4	171.7	-75	-65.2	0	0	0	111.8	C365 V366 R367 A373 P387 T389 P394 V396 L411	C365-I369 WeakPolarHBondContact O-CG1 3.41Å; C365-I369 PolarHBondContact O-N 3.02Å; V366-I369 PolarHBondContact O-N 3.18Å; R367-I369 VanDerWaalsContact C-N 3.32Å; R367-I369 PolarHBondContact O-N 3.04Å; I369-A373 VanDerWaalsContact O-CB 3.23Å; I369-A373 WeakPolarHBondContact O-CB 3.44Å; I369-A373 PolarHBondContact O-N 2.79Å; I369-P387 HydrophobicContact CG2-CB 3.77Å; I369-T389 HydrophobicContact CB-CG2 4.24Å; I369-T389 HydrophobicContact CG2-CG2 3.74Å; I369-P394 HydrophobicContact CG1-CB 4.03Å; I369-V396 HydrophobicContact CD1-CG1 4.5Å; I369-V396 HydrophobicContact CG2-CB 4.5Å; I369-L411 HydrophobicContact CD1-CD1 4.07Å; I369-L411 HydrophobicContact CD1-CG 3.96Å; I369-L411 HydrophobicContact CG1-CD1 3.83Å; I369-L411 HydrophobicContact CG1-CG 4.27Å
370	E	97.1	Very high	95.4	Very high	90 Å²	90	62.7 Å²	62.7	42%	0.421	33%	0.329	S	S	.	.	H	α-helix	trans	-72.8	-34.9	177.6	-66.4	-171.5	171.9	0	0	113.9	V366 R367 T368 R374 T389	V366-E370 PolarHBondContact O-N 2.83Å; R367-E370 WeakPolarHBondContact O-CB 3.47Å; R367-E370 PolarHBondContact O-N 3.39Å; T368-E370 VanDerWaalsContact C-N 3.35Å; T368-E370 PolarHBondContact O-N 3.12Å; E370-R374 WeakPolarHBondContact O-CG 3.46Å; E370-R374 PolarHBondContact O-N 3.22Å; E370-R374 VanDerWaalsContact O-N 3.09Å; E370-R374 PolarHBondContact O-NE 2.91Å; E370-R374 VanDerWaalsContact O-NE 3.09Å; E370-T389 HydrophobicContact CG-CG2 4.28Å
371	E	97.8	Very high	95.8	Very high	41 Å²	41	61.4 Å²	61.4	19%	0.192	32%	0.32	C	S	.	.	H	α-helix	trans	-70.4	-45.6	174.1	-67.9	-177.1	167.9	0	0	110.4	F326 R367 T368 A373 R374 V375	F326-E371 HydrophobicContact CZ-CB 3.85Å; R367-E371 HydrophobicContact CG-CG 4.22Å; R367-E371 IonicContact CZ-OE1 2.7Å; R367-E371 VanDerWaalsContact CZ-OE1 3.32Å; R367-E371 IonicContact NE-OE1 3.29Å; R367-E371 PolarHBondContact NE-OE1 2.95Å; R367-E371 IonicContact NH2-OE1 3.57Å; R367-E371 PolarHBondContact NH2-OE1 3Å; R367-E371 WeakPolarHBondContact O-CG 3.44Å; R367-E371 PolarHBondContact O-N 3.41Å; T368-E371 PolarHBondContact O-N 2.94Å; E371-A373 VanDerWaalsContact C-N 3.33Å; E371-A373 PolarHBondContact O-N 3.11Å; E371-R374 WeakPolarHBondContact O-CA 3.47Å; E371-R374 WeakPolarHBondContact O-CB 3.31Å; E371-R374 PolarHBondContact O-N 3.05Å; E371-V375 PolarHBondContact O-N 2.88Å
372	L	98.1	Very high	96.2	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-57.7	-42.9	170.5	176.8	62.1	0	0	0	112.1	I322 M352 T368 R374 V375 L376 V396 I409	I322-L372 HydrophobicContact CD1-CD1 3.82Å; I322-L372 HydrophobicContact CG1-CD1 4Å; I322-L372 HydrophobicContact CG2-CD1 3.87Å; M352-L372 HydrophobicContact SD-CD1 4.1Å; M352-L372 HydrophobicContact SD-CD2 3.85Å; T368-L372 WeakPolarHBondContact O-CB 3.34Å; T368-L372 PolarHBondContact O-N 2.82Å; L372-R374 VanDerWaalsContact C-N 3.26Å; L372-R374 PolarHBondContact O-N 2.97Å; L372-V375 PolarHBondContact O-N 3.09Å; L372-V375 VanDerWaalsContact O-N 3.16Å; L372-L376 HydrophobicContact CD1-CD1 4.05Å; L372-L376 HydrophobicContact CD1-CG 4.09Å; L372-L376 HydrophobicContact CG-CD1 3.85Å; L372-L376 HydrophobicContact CG-CG 4.36Å; L372-L376 VanDerWaalsContact O-CG 3.32Å; L372-L376 WeakPolarHBondContact O-CG 3.36Å; L372-L376 PolarHBondContact O-N 2.93Å; L372-V396 HydrophobicContact CD2-CG1 3.65Å; L372-V396 HydrophobicContact CG-CG1 4.05Å; L372-I409 HydrophobicContact CD2-CB 4.26Å; L372-I409 HydrophobicContact CD2-CD1 4.49Å; L372-I409 HydrophobicContact CD2-CG2 3.85Å
373	A	98.1	Very high	96.7	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-65.8	-26.9	175.3	0	0	0	0	0	112.9	I369 E371 R377 I385 P387 V396	I369-A373 VanDerWaalsContact O-CB 3.23Å; I369-A373 WeakPolarHBondContact O-CB 3.44Å; I369-A373 PolarHBondContact O-N 2.79Å; E371-A373 VanDerWaalsContact C-N 3.33Å; E371-A373 PolarHBondContact O-N 3.11Å; A373-R377 VanDerWaalsContact C-NH1 3.31Å; A373-R377 WeakPolarHBondContact O-CD 3.48Å; A373-R377 VanDerWaalsContact O-CG 3.25Å; A373-R377 WeakPolarHBondContact O-CG 3.44Å; A373-R377 VanDerWaalsContact O-CZ 3.29Å; A373-R377 PolarHBondContact O-N 3.16Å; A373-R377 PolarHBondContact O-NE 2.78Å; A373-R377 PolarHBondContact O-NH1 2.97Å; A373-R377 VanDerWaalsContact O-NH1 3.1Å; A373-I385 HydrophobicContact CB-CG2 4.1Å; A373-P387 HydrophobicContact CB-CB 4.07Å; A373-P387 HydrophobicContact CB-CG 4.06Å; A373-V396 HydrophobicContact CB-CG2 3.97Å
374	R	98.1	Very high	97	Very high	126 Å²	126	59.7 Å²	59.7	48%	0.475	29%	0.286	S	S	.	.	H	α-helix	trans	-71.2	-42.1	169.8	-80.2	171.5	-90.7	151.5	-13.2	111.3	E370 E371 L372 R377	E370-R374 WeakPolarHBondContact O-CG 3.46Å; E370-R374 PolarHBondContact O-N 3.22Å; E370-R374 VanDerWaalsContact O-N 3.09Å; E370-R374 PolarHBondContact O-NE 2.91Å; E370-R374 VanDerWaalsContact O-NE 3.09Å; E371-R374 WeakPolarHBondContact O-CA 3.47Å; E371-R374 WeakPolarHBondContact O-CB 3.31Å; E371-R374 PolarHBondContact O-N 3.05Å; L372-R374 VanDerWaalsContact C-N 3.26Å; L372-R374 PolarHBondContact O-N 2.97Å; R374-R377 PolarHBondContact O-N 3.28Å
375	V	98.3	Very high	97.1	Very high	7 Å²	7	56.8 Å²	56.8	4%	0.042	27%	0.27	C	S	.	.	H	α-helix	trans	-61.8	-50.4	175.2	172.5	0	0	0	0	112	F321 D325 F326 E371 L372 R377 K378	F321-V375 HydrophobicContact CD1-CG1 4.36Å; F321-V375 HydrophobicContact CE1-CG1 3.87Å; F321-V375 WeakPolarHBondContact CE1-O 3.38Å; D325-V375 HydrophobicContact CB-CG1 4.28Å; D325-V375 HydrophobicContact CB-CG2 3.56Å; D325-V375 VanDerWaalsContact CG-CG2 3.46Å; D325-V375 WeakPolarHBondContact OD2-CG1 3.42Å; F326-V375 HydrophobicContact CD2-CG2 4.25Å; F326-V375 HydrophobicContact CE2-CB 4.27Å; F326-V375 HydrophobicContact CE2-CG2 3.53Å; F326-V375 HydrophobicContact CZ-CG2 4.16Å; E371-V375 PolarHBondContact O-N 2.88Å; L372-V375 PolarHBondContact O-N 3.09Å; L372-V375 VanDerWaalsContact O-N 3.16Å; V375-R377 PolarHBondContact O-N 3.02Å; V375-R377 VanDerWaalsContact O-N 3.17Å; V375-K378 WeakPolarHBondContact O-CB 3.2Å; V375-K378 PolarHBondContact O-N 3.09Å
376	L	98.3	Very high	97.3	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-61.3	-26.3	-177.9	-69.9	166.5	0	0	0	113.9	L318 I322 L372 K378 H379 L382 I385 V396 F398 I409	L318-L376 HydrophobicContact CD2-CD2 4.28Å; I322-L376 HydrophobicContact CD1-CD2 4.19Å; I322-L376 HydrophobicContact CG1-CD2 4.3Å; L372-L376 HydrophobicContact CD1-CD1 4.05Å; L372-L376 HydrophobicContact CD1-CG 4.09Å; L372-L376 HydrophobicContact CG-CD1 3.85Å; L372-L376 HydrophobicContact CG-CG 4.36Å; L372-L376 VanDerWaalsContact O-CG 3.32Å; L372-L376 WeakPolarHBondContact O-CG 3.36Å; L372-L376 PolarHBondContact O-N 2.93Å; L376-K378 PolarHBondContact O-N 3.38Å; L376-H379 WeakPolarHBondContact O-CB 3.46Å; L376-H379 PolarHBondContact O-N 3.02Å; L376-H379 VanDerWaalsContact O-N 3.16Å; L376-L382 HydrophobicContact CB-CD1 4.28Å; L376-L382 HydrophobicContact CD2-CD1 3.7Å; L376-I385 HydrophobicContact CB-CD1 4.16Å; L376-I385 HydrophobicContact CB-CG1 4.43Å; L376-I385 HydrophobicContact CB-CG2 4.02Å; L376-V396 HydrophobicContact CD1-CB 4.49Å; L376-V396 HydrophobicContact CD1-CG1 3.67Å; L376-V396 HydrophobicContact CD1-CG2 3.97Å; L376-F398 HydrophobicContact CD1-CD1 3.94Å; L376-F398 HydrophobicContact CD1-CE1 3.64Å; L376-F398 HydrophobicContact CD1-CZ 4.5Å; L376-F398 HydrophobicContact CD2-CE1 4.08Å; L376-F398 HydrophobicContact CD2-CZ 4.14Å; L376-F398 HydrophobicContact CG-CE1 4.47Å; L376-I409 HydrophobicContact CD1-CD1 4.3Å; L376-I409 HydrophobicContact CD2-CD1 4.49Å
377	R	98.1	Very high	97.4	Very high	131 Å²	131	56.2 Å²	56.2	49%	0.494	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-22.8	174.8	-74.8	169	-164.7	120.1	3.9	113.3	A373 R374 V375 H379 I385	A373-R377 VanDerWaalsContact C-NH1 3.31Å; A373-R377 WeakPolarHBondContact O-CD 3.48Å; A373-R377 VanDerWaalsContact O-CG 3.25Å; A373-R377 WeakPolarHBondContact O-CG 3.44Å; A373-R377 VanDerWaalsContact O-CZ 3.29Å; A373-R377 PolarHBondContact O-N 3.16Å; A373-R377 PolarHBondContact O-NE 2.78Å; A373-R377 PolarHBondContact O-NH1 2.97Å; A373-R377 VanDerWaalsContact O-NH1 3.1Å; R374-R377 PolarHBondContact O-N 3.28Å; V375-R377 PolarHBondContact O-N 3.02Å; V375-R377 VanDerWaalsContact O-N 3.17Å; R377-H379 VanDerWaalsContact C-N 3.28Å; R377-H379 PolarHBondContact O-N 2.73Å; R377-I385 HydrophobicContact CG-CB 3.89Å; R377-I385 HydrophobicContact CG-CG1 3.73Å; R377-I385 HydrophobicContact CG-CG2 4.25Å
378	K	97.9	Very high	97.3	Very high	123 Å²	123	52.2 Å²	52.2	54%	0.535	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-13.1	174.4	-58.1	-177.2	-64.7	173	0	112.8	F321 D325 V375 L376 S380	F321-K378 HydrophobicContact CZ-CB 4.03Å; D325-K378 IonicContact OD1-NZ 2.71Å; D325-K378 PolarHBondContact OD1-NZ 3.36Å; D325-K378 IonicContact OD2-NZ 2.75Å; D325-K378 PolarHBondContact OD2-NZ 3.06Å; V375-K378 WeakPolarHBondContact O-CB 3.2Å; V375-K378 PolarHBondContact O-N 3.09Å; L376-K378 PolarHBondContact O-N 3.38Å; K378-S380 PolarHBondContact O-N 2.69Å
379	H	97.9	Very high	97.2	Very high	25 Å²	25	53.5 Å²	53.5	12%	0.116	26%	0.261	C	S	.	.			trans	-83.5	108.5	-175.4	-167	-83.4	0	0	0	112.4	F321 L376 R377 G381 L382	F321-H379 HydrophobicContact CD1-CB 4.24Å; F321-H379 AromaticContact CD1-CD2 3.82Å; F321-H379 AromaticContact CD2-CD2 3.62Å; F321-H379 HydrophobicContact CE1-CB 3.7Å; F321-H379 HydrophobicContact CE2-CB 4.27Å; F321-H379 AromaticContact CE2-CD2 3.87Å; F321-H379 AromaticContact CG-CD2 3.57Å; F321-H379 HydrophobicContact CZ-CB 3.71Å; L376-H379 WeakPolarHBondContact O-CB 3.46Å; L376-H379 PolarHBondContact O-N 3.02Å; L376-H379 VanDerWaalsContact O-N 3.16Å; R377-H379 VanDerWaalsContact C-N 3.28Å; R377-H379 PolarHBondContact O-N 2.73Å; H379-G381 PolarHBondContact ND1-N 2.7Å; H379-G381 VanDerWaalsContact ND1-N 3.2Å; H379-G381 PolarHBondContact O-N 2.89Å; H379-L382 HydrophobicContact CB-CB 4.47Å; H379-L382 HydrophobicContact CB-CD1 3.9Å; H379-L382 HydrophobicContact CB-CG 3.9Å; H379-L382 PolarHBondContact O-N 3.04Å
380	S	96.8	Very high	96.9	Very high	105 Å²	105	59 Å²	59	73%	0.734	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-28.5	-176.9	62.1	0	0	0	0	115	K378 R383	K378-S380 PolarHBondContact O-N 2.69Å; S380-R383 PolarHBondContact O-NH1 2.69Å
381	G	97.3	Very high	96.4	Very high	13 Å²	13	56.7 Å²	56.7	13%	0.134	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-2.9	177.9	0	0	0	0	0	117	H379 L401	H379-G381 PolarHBondContact ND1-N 2.7Å; H379-G381 VanDerWaalsContact ND1-N 3.2Å; H379-G381 PolarHBondContact O-N 2.89Å; G381-L401 VanDerWaalsContact O-CB 3.31Å; G381-L401 WeakPolarHBondContact O-CB 3.42Å; G381-L401 WeakPolarHBondContact O-CG 3.36Å; G381-L401 PolarHBondContact O-N 2.75Å
382	L	98.4	Very high	95.9	Very high	7 Å²	7	63.7 Å²	63.7	4%	0.037	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	152.6	-177.9	-54.4	-176.4	0	0	0	112.3	L318 L376 H379 I385 F398 F399 H400	L318-L382 HydrophobicContact CD2-CD1 4Å; L318-L382 HydrophobicContact CD2-CD2 4.35Å; L376-L382 HydrophobicContact CB-CD1 4.28Å; L376-L382 HydrophobicContact CD2-CD1 3.7Å; H379-L382 HydrophobicContact CB-CB 4.47Å; H379-L382 HydrophobicContact CB-CD1 3.9Å; H379-L382 HydrophobicContact CB-CG 3.9Å; H379-L382 PolarHBondContact O-N 3.04Å; L382-I385 HydrophobicContact CB-CD1 3.7Å; L382-I385 HydrophobicContact CD1-CD1 4.15Å; L382-F398 HydrophobicContact CB-CD2 4.33Å; L382-F398 HydrophobicContact CD1-CD2 3.72Å; L382-F398 HydrophobicContact CD1-CE2 3.59Å; L382-F398 HydrophobicContact CD1-CG 4.29Å; L382-F398 HydrophobicContact CD1-CZ 4.07Å; L382-F398 HydrophobicContact CD2-CD2 3.68Å; L382-F398 HydrophobicContact CD2-CE2 3.59Å; L382-F398 HydrophobicContact CG-CD2 4.09Å; L382-F398 HydrophobicContact CG-CE2 4.15Å; L382-F399 WeakPolarHBondContact CA-O 3.45Å; L382-H400 HydrophobicContact CD2-CB 4.11Å
383	R	97.3	Very high	95.5	Very high	121 Å²	121	66.9 Å²	66.9	46%	0.457	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	164.6	172.4	-65.7	-63.9	-179.8	-85.7	0.7	111.2	S380 I385 F399 L401	S380-R383 PolarHBondContact O-NH1 2.69Å; R383-I385 PolarHBondContact O-N 2.78Å; R383-F399 PolarHBondContact N-O 3.18Å; R383-F399 PolarHBondContact O-N 3.15Å; R383-L401 HydrophobicContact CG-CD1 4.04Å; R383-L401 HydrophobicContact CG-CD2 3.8Å; R383-L401 HydrophobicContact CG-CG 3.98Å
384	N	95.8	Very high	95.3	Very high	119 Å²	119	68.4 Å²	68.4	64%	0.636	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	59.3	34.8	172.9	-52.9	-24.1	0	0	0	115.4	L386	N384-L386 PolarHBondContact O-N 3.09Å
385	I	97.8	Very high	95.3	Very high	28 Å²	28	64.1 Å²	64.1	14%	0.144	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	107.1	-178.4	-42.8	-54.5	0	0	0	111.7	A373 L376 R377 L382 R383 V396 F398	A373-I385 HydrophobicContact CB-CG2 4.1Å; L376-I385 HydrophobicContact CB-CD1 4.16Å; L376-I385 HydrophobicContact CB-CG1 4.43Å; L376-I385 HydrophobicContact CB-CG2 4.02Å; R377-I385 HydrophobicContact CG-CB 3.89Å; R377-I385 HydrophobicContact CG-CG1 3.73Å; R377-I385 HydrophobicContact CG-CG2 4.25Å; L382-I385 HydrophobicContact CB-CD1 3.7Å; L382-I385 HydrophobicContact CD1-CD1 4.15Å; R383-I385 PolarHBondContact O-N 2.78Å; I385-V396 HydrophobicContact CG2-CG2 3.73Å; I385-F398 HydrophobicContact CD1-CB 3.47Å; I385-F398 VanDerWaalsContact CD1-CB 3.47Å; I385-F398 HydrophobicContact CD1-CG 4.03Å
386	L	96.1	Very high	95.3	Very high	54 Å²	54	63.8 Å²	63.8	28%	0.283	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	99.5	-172.4	175.9	59.3	0	0	0	110.5	N384 I388 K397 P650	N384-L386 PolarHBondContact O-N 3.09Å; L386-I388 HydrophobicContact CD2-CD1 4.21Å; L386-I388 HydrophobicContact CD2-CG1 4.32Å; L386-I388 HydrophobicContact CG-CD1 4.35Å; L386-I388 HydrophobicContact CG-CG1 3.95Å; L386-K397 PolarHBondContact N-O 3.08Å; L386-K397 PolarHBondContact O-N 3.07Å; L386-P650 HydrophobicContact CD1-CB 4.14Å; L386-P650 HydrophobicContact CD1-CG 3.55Å; L386-P650 HydrophobicContact CD2-CB 4.27Å; L386-P650 HydrophobicContact CD2-CG 3.81Å; L386-P650 HydrophobicContact CG-CG 4.36Å
387	P	97	Very high	95.2	Very high	37 Å²	37	65.7 Å²	65.7	24%	0.24	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	136.6	165.8	29.2	-32.6	0	0	0	110.1	I369 A373	I369-P387 HydrophobicContact CG2-CB 3.77Å; A373-P387 HydrophobicContact CB-CB 4.07Å; A373-P387 HydrophobicContact CB-CG 4.06Å
388	I	94	Very high	95.2	Very high	56 Å²	56	59.4 Å²	59.4	29%	0.287	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	78.3	177.3	-51.6	179.7	0	0	0	107	L386 A391 I395 K397	L386-I388 HydrophobicContact CD2-CD1 4.21Å; L386-I388 HydrophobicContact CD2-CG1 4.32Å; L386-I388 HydrophobicContact CG-CD1 4.35Å; L386-I388 HydrophobicContact CG-CG1 3.95Å; I388-A391 HydrophobicContact CG2-CB 4.1Å; I388-I395 HydrophobicContact CB-CG1 3.97Å; I388-I395 HydrophobicContact CD1-CD1 4.36Å; I388-I395 HydrophobicContact CD1-CG1 4.38Å; I388-I395 HydrophobicContact CG1-CG1 4.45Å; I388-I395 PolarHBondContact N-O 3Å; I388-I395 PolarHBondContact O-N 3.3Å; I388-K397 HydrophobicContact CD1-CB 4.45Å
389	T	94	Very high	95.2	Very high	41 Å²	41	56.6 Å²	56.6	25%	0.252	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-15.8	-174.6	46.3	0	0	0	0	114.1	V366 I369 E370	V366-T389 HydrophobicContact CG1-CG2 4Å; I369-T389 HydrophobicContact CB-CG2 4.24Å; I369-T389 HydrophobicContact CG2-CG2 3.74Å; E370-T389 HydrophobicContact CG-CG2 4.28Å
390	T	90	Very high	95.3	Very high	115 Å²	115	56 Å²	56	71%	0.706	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	2.3	-178.3	59	0	0	0	0	114.5
391	A	88.5	Confident	95.3	Very high	41 Å²	41	54.7 Å²	54.7	34%	0.339	29%	0.288	S	S	.	.	S	Bend	trans	-83.2	156.6	176.9	0	0	0	0	0	111.6	I388 V393	I388-A391 HydrophobicContact CG2-CB 4.1Å; A391-V393 WeakPolarHBondContact CB-O 3.2Å; A391-V393 PolarHBondContact O-N 3Å; A391-V393 VanDerWaalsContact O-N 3.15Å
392	K	87.3	Confident	95.2	Very high	189 Å²	189	65.2 Å²	65.2	82%	0.822	32%	0.324	S	S	*	.	S	Bend	trans	-52.4	-35.2	174.7	-89.5	-161.6	167.1	-154.4	0	113.4
393	V	89.4	Confident	95.1	Very high	67 Å²	67	66.8 Å²	66.8	41%	0.406	34%	0.335	S	S	.	.	S	Bend	trans	-117	108.4	167.6	179	0	0	0	0	105.7	A391 I395	A391-V393 WeakPolarHBondContact CB-O 3.2Å; A391-V393 PolarHBondContact O-N 3Å; A391-V393 VanDerWaalsContact O-N 3.15Å; V393-I395 HydrophobicContact CG1-CG2 4.32Å; V393-I395 PolarHBondContact O-N 2.99Å
394	P	93.9	Very high	95.1	Very high	32 Å²	32	62.6 Å²	62.6	21%	0.208	33%	0.329	C	S	.	.			trans	-59.9	133.3	173.8	-27.7	37.5	0	0	0	111.5	I369	I369-P394 HydrophobicContact CG1-CB 4.03Å
395	I	97.1	Very high	95.2	Very high	35 Å²	35	57.5 Å²	57.5	18%	0.179	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	160.1	-178.6	59.9	-177.1	0	0	0	111.9	I388 V393 I409	I388-I395 HydrophobicContact CB-CG1 3.97Å; I388-I395 HydrophobicContact CD1-CD1 4.36Å; I388-I395 HydrophobicContact CD1-CG1 4.38Å; I388-I395 HydrophobicContact CG1-CG1 4.45Å; I388-I395 PolarHBondContact N-O 3Å; I388-I395 PolarHBondContact O-N 3.3Å; V393-I395 HydrophobicContact CG1-CG2 4.32Å; V393-I395 PolarHBondContact O-N 2.99Å; I395-I409 CarbonylContact C-O 3.59Å; I395-I409 VanDerWaalsContact CA-O 3.25Å; I395-I409 WeakPolarHBondContact CA-O 3.37Å
396	V	98.1	Very high	95.2	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	115.6	159.8	57.9	0	0	0	0	109.7	I369 L372 A373 L376 I385 F398 I409	I369-V396 HydrophobicContact CD1-CG1 4.5Å; I369-V396 HydrophobicContact CG2-CB 4.5Å; L372-V396 HydrophobicContact CD2-CG1 3.65Å; L372-V396 HydrophobicContact CG-CG1 4.05Å; A373-V396 HydrophobicContact CB-CG2 3.97Å; L376-V396 HydrophobicContact CD1-CB 4.49Å; L376-V396 HydrophobicContact CD1-CG1 3.67Å; L376-V396 HydrophobicContact CD1-CG2 3.97Å; I385-V396 HydrophobicContact CG2-CG2 3.73Å; V396-F398 HydrophobicContact CG2-CD1 4.48Å; V396-I409 HydrophobicContact CG1-CB 3.91Å; V396-I409 PolarHBondContact N-O 3.1Å; V396-I409 PolarHBondContact O-N 3.4Å; V396-I409 VanDerWaalsContact O-N 3.09Å
397	K	97	Very high	95.3	Very high	40 Å²	40	56 Å²	56	17%	0.174	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	139.2	175.5	172.1	135.6	-65.1	-158.3	0	109.9	D347 L386 I388 E406 V407 D408	D347-K397 IonicContact OD2-NZ 3Å; D347-K397 PolarHBondContact OD2-NZ 2.97Å; L386-K397 PolarHBondContact N-O 3.08Å; L386-K397 PolarHBondContact O-N 3.07Å; I388-K397 HydrophobicContact CD1-CB 4.45Å; K397-E406 HydrophobicContact CD-CG 3.54Å; K397-E406 WeakPolarHBondContact CD-OE1 3.46Å; K397-E406 HydrophobicContact CG-CG 3.83Å; K397-E406 WeakPolarHBondContact CG-OE1 3.25Å; K397-V407 WeakPolarHBondContact CA-O 3.49Å; K397-D408 WeakPolarHBondContact CB-OD1 3.42Å; K397-D408 WeakPolarHBondContact CE-OD1 3.45Å; K397-D408 WeakPolarHBondContact CE-OD2 3.2Å; K397-D408 IonicContact NZ-OD1 2.73Å; K397-D408 IonicContact NZ-OD2 3.17Å; K397-D408 PolarHBondContact NZ-OD2 3.04Å
398	F	98.2	Very high	95.4	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	161.4	169	55	-92.5	0	0	0	113.6	L318 L376 L382 I385 V396 E406 V407 I409	L318-F398 HydrophobicContact CD1-CE2 4.19Å; L318-F398 HydrophobicContact CD1-CZ 3.88Å; L318-F398 HydrophobicContact CD2-CE2 4.06Å; L318-F398 HydrophobicContact CD2-CZ 3.92Å; L376-F398 HydrophobicContact CD1-CD1 3.94Å; L376-F398 HydrophobicContact CD1-CE1 3.64Å; L376-F398 HydrophobicContact CD1-CZ 4.5Å; L376-F398 HydrophobicContact CD2-CE1 4.08Å; L376-F398 HydrophobicContact CD2-CZ 4.14Å; L376-F398 HydrophobicContact CG-CE1 4.47Å; L382-F398 HydrophobicContact CB-CD2 4.33Å; L382-F398 HydrophobicContact CD1-CD2 3.72Å; L382-F398 HydrophobicContact CD1-CE2 3.59Å; L382-F398 HydrophobicContact CD1-CG 4.29Å; L382-F398 HydrophobicContact CD1-CZ 4.07Å; L382-F398 HydrophobicContact CD2-CD2 3.68Å; L382-F398 HydrophobicContact CD2-CE2 3.59Å; L382-F398 HydrophobicContact CG-CD2 4.09Å; L382-F398 HydrophobicContact CG-CE2 4.15Å; I385-F398 HydrophobicContact CD1-CB 3.47Å; I385-F398 VanDerWaalsContact CD1-CB 3.47Å; I385-F398 HydrophobicContact CD1-CG 4.03Å; V396-F398 HydrophobicContact CG2-CD1 4.48Å; F398-E406 CarbonylContact O-C 3.42Å; F398-E406 WeakPolarHBondContact O-CA 3.46Å; F398-V407 HydrophobicContact CD2-CB 3.88Å; F398-V407 HydrophobicContact CD2-CG2 4.12Å; F398-V407 HydrophobicContact CE1-CB 4.21Å; F398-V407 HydrophobicContact CE1-CG1 4.13Å; F398-V407 HydrophobicContact CE2-CB 3.48Å; F398-V407 VanDerWaalsContact CE2-CB 3.48Å; F398-V407 HydrophobicContact CE2-CG1 3.82Å; F398-V407 HydrophobicContact CE2-CG2 3.69Å; F398-V407 HydrophobicContact CG-CB 4.42Å; F398-V407 HydrophobicContact CZ-CB 3.68Å; F398-V407 HydrophobicContact CZ-CG1 3.53Å; F398-V407 HydrophobicContact CZ-CG2 4.3Å; F398-V407 PolarHBondContact N-O 3.2Å; F398-V407 PolarHBondContact O-N 2.58Å; F398-I409 HydrophobicContact CE1-CD1 3.75Å; F398-I409 HydrophobicContact CE1-CG1 3.9Å; F398-I409 HydrophobicContact CZ-CD1 3.96Å; F398-I409 HydrophobicContact CZ-CG1 4.26Å
399	F	98.3	Very high	95.6	Very high	64 Å²	64	52.7 Å²	52.7	28%	0.281	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	126.2	176	-174.7	-102.9	0	0	0	111.1	L382 R383 L401 G404 E406	L382-F399 WeakPolarHBondContact CA-O 3.45Å; R383-F399 PolarHBondContact N-O 3.18Å; R383-F399 PolarHBondContact O-N 3.15Å; F399-L401 HydrophobicContact CD1-CD2 4.1Å; F399-L401 HydrophobicContact CE1-CD2 4.03Å; F399-G404 VanDerWaalsContact CE2-O 3.29Å; F399-G404 WeakPolarHBondContact CE2-O 3.49Å; F399-E406 WeakPolarHBondContact CB-OE2 3.16Å; F399-E406 WeakPolarHBondContact CD2-OE2 3.45Å
400	H	98.4	Very high	95.8	Very high	13 Å²	13	50.9 Å²	50.9	6%	0.06	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	110.5	176.2	172.1	-104.1	0	0	0	111.3	L382 R402 S403 G404 L405 V407	L382-H400 HydrophobicContact CD2-CB 4.11Å; H400-R402 PolarHBondContact O-N 2.97Å; H400-S403 PolarHBondContact ND1-N 3.15Å; H400-S403 PolarHBondContact ND1-OG 2.91Å; H400-S403 PolarHBondContact O-N 2.84Å; H400-G404 PolarHBondContact O-N 3.06Å; H400-L405 PolarHBondContact N-O 2.8Å; H400-V407 HydrophobicContact CB-CG2 4.04Å
401	L	97.1	Very high	96.1	Very high	77 Å²	77	46.3 Å²	46.3	40%	0.403	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-38.7	-167.1	-74.9	174.4	0	0	0	114.7	G381 R383 F399	G381-L401 VanDerWaalsContact O-CB 3.31Å; G381-L401 WeakPolarHBondContact O-CB 3.42Å; G381-L401 WeakPolarHBondContact O-CG 3.36Å; G381-L401 PolarHBondContact O-N 2.75Å; R383-L401 HydrophobicContact CG-CD1 4.04Å; R383-L401 HydrophobicContact CG-CD2 3.8Å; R383-L401 HydrophobicContact CG-CG 3.98Å; F399-L401 HydrophobicContact CD1-CD2 4.1Å; F399-L401 HydrophobicContact CE1-CD2 4.03Å
402	R	96.6	Very high	96.5	Very high	234 Å²	234	45.1 Å²	45.1	88%	0.883	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-22.3	-171.2	-69.2	-176	175.4	-171.4	-0.6	114.1	H400	H400-R402 PolarHBondContact O-N 2.97Å
403	S	96.1	Very high	96.8	Very high	39 Å²	39	37.8 Å²	37.8	27%	0.273	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-14.9	178	63.5	0	0	0	0	113.9	I314 H400 L405	I314-S403 WeakPolarHBondContact CD1-OG 3.39Å; H400-S403 PolarHBondContact ND1-N 3.15Å; H400-S403 PolarHBondContact ND1-OG 2.91Å; H400-S403 PolarHBondContact O-N 2.84Å; S403-L405 PolarHBondContact O-N 3.15Å; S403-L405 PolarHBondContact OG-N 2.96Å
404	G	97.1	Very high	97.1	Very high	33 Å²	33	35.7 Å²	35.7	34%	0.34	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	12.1	-173.1	0	0	0	0	0	114.2	F399 H400	F399-G404 VanDerWaalsContact CE2-O 3.29Å; F399-G404 WeakPolarHBondContact CE2-O 3.49Å; H400-G404 PolarHBondContact O-N 3.06Å
405	L	97.3	Very high	97.2	Very high	13 Å²	13	35.4 Å²	35.4	7%	0.068	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	141.5	179.3	-60.4	178.4	0	0	0	111.2	R311 H400 S403	R311-L405 HydrophobicContact CG-CD1 4.26Å; H400-L405 PolarHBondContact N-O 2.8Å; S403-L405 PolarHBondContact O-N 3.15Å; S403-L405 PolarHBondContact OG-N 2.96Å
406	E	97.8	Very high	97.2	Very high	50 Å²	50	34.2 Å²	34.2	23%	0.234	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	146.2	162.8	-153.8	72.7	-177.2	0	0	109.5	D347 L348 K397 F398 F399	D347-E406 CarbonylContact C-O 3.59Å; D347-E406 WeakPolarHBondContact CA-O 3.44Å; L348-E406 PolarHBondContact N-O 2.78Å; K397-E406 HydrophobicContact CD-CG 3.54Å; K397-E406 WeakPolarHBondContact CD-OE1 3.46Å; K397-E406 HydrophobicContact CG-CG 3.83Å; K397-E406 WeakPolarHBondContact CG-OE1 3.25Å; F398-E406 CarbonylContact O-C 3.42Å; F398-E406 WeakPolarHBondContact O-CA 3.46Å; F399-E406 WeakPolarHBondContact CB-OE2 3.16Å; F399-E406 WeakPolarHBondContact CD2-OE2 3.45Å
407	V	98.4	Very high	97.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	136.4	-177.6	-173.7	0	0	0	0	108.8	L318 L348 V350 K397 F398 H400 I409	L318-V407 HydrophobicContact CD1-CG1 4.13Å; L348-V407 HydrophobicContact CB-CB 4.3Å; L348-V407 HydrophobicContact CB-CG1 4.16Å; L348-V407 HydrophobicContact CB-CG2 4.04Å; L348-V407 HydrophobicContact CD2-CG1 4.2Å; L348-V407 HydrophobicContact CD2-CG2 4.09Å; L348-V407 HydrophobicContact CG-CG1 4.47Å; V350-V407 HydrophobicContact CG2-CG1 4.05Å; K397-V407 WeakPolarHBondContact CA-O 3.49Å; F398-V407 HydrophobicContact CD2-CB 3.88Å; F398-V407 HydrophobicContact CD2-CG2 4.12Å; F398-V407 HydrophobicContact CE1-CB 4.21Å; F398-V407 HydrophobicContact CE1-CG1 4.13Å; F398-V407 HydrophobicContact CE2-CB 3.48Å; F398-V407 VanDerWaalsContact CE2-CB 3.48Å; F398-V407 HydrophobicContact CE2-CG1 3.82Å; F398-V407 HydrophobicContact CE2-CG2 3.69Å; F398-V407 HydrophobicContact CG-CB 4.42Å; F398-V407 HydrophobicContact CZ-CB 3.68Å; F398-V407 HydrophobicContact CZ-CG1 3.53Å; F398-V407 HydrophobicContact CZ-CG2 4.3Å; F398-V407 PolarHBondContact N-O 3.2Å; F398-V407 PolarHBondContact O-N 2.58Å; H400-V407 HydrophobicContact CB-CG2 4.04Å; V407-I409 HydrophobicContact CG1-CG1 4.43Å
408	D	98.1	Very high	97.2	Very high	24 Å²	24	36.2 Å²	36.2	13%	0.128	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	109.8	176.8	-86.7	-43	0	0	0	110.2	L348 V350 K397	L348-D408 PolarHBondContact O-N 3.17Å; V350-D408 PolarHBondContact N-O 3.24Å; K397-D408 WeakPolarHBondContact CB-OD1 3.42Å; K397-D408 WeakPolarHBondContact CE-OD1 3.45Å; K397-D408 WeakPolarHBondContact CE-OD2 3.2Å; K397-D408 IonicContact NZ-OD1 2.73Å; K397-D408 IonicContact NZ-OD2 3.17Å; K397-D408 PolarHBondContact NZ-OD2 3.04Å
409	I	98.6	Very high	97.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	121.9	171	-52.1	-179.8	0	0	0	109.5	I322 V350 M352 L372 L376 I395 V396 F398 V407	I322-I409 HydrophobicContact CD1-CD1 3.96Å; V350-I409 HydrophobicContact CB-CG1 4.04Å; V350-I409 HydrophobicContact CG1-CG1 4.14Å; V350-I409 HydrophobicContact CG1-CG2 4.33Å; V350-I409 WeakPolarHBondContact O-CA 3.35Å; M352-I409 HydrophobicContact CB-CG2 3.7Å; L372-I409 HydrophobicContact CD2-CB 4.26Å; L372-I409 HydrophobicContact CD2-CD1 4.49Å; L372-I409 HydrophobicContact CD2-CG2 3.85Å; L376-I409 HydrophobicContact CD1-CD1 4.3Å; L376-I409 HydrophobicContact CD2-CD1 4.49Å; I395-I409 CarbonylContact C-O 3.59Å; I395-I409 VanDerWaalsContact CA-O 3.25Å; I395-I409 WeakPolarHBondContact CA-O 3.37Å; V396-I409 HydrophobicContact CG1-CB 3.91Å; V396-I409 PolarHBondContact N-O 3.1Å; V396-I409 PolarHBondContact O-N 3.4Å; V396-I409 VanDerWaalsContact O-N 3.09Å; F398-I409 HydrophobicContact CE1-CD1 3.75Å; F398-I409 HydrophobicContact CE1-CG1 3.9Å; F398-I409 HydrophobicContact CZ-CD1 3.96Å; F398-I409 HydrophobicContact CZ-CG1 4.26Å; V407-I409 HydrophobicContact CG1-CG1 4.43Å
410	S	97.7	Very high	97.2	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.014	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	152	170.4	57	0	0	0	0	110.3	V350 C351 M352 N413	V350-S410 PolarHBondContact O-N 3.16Å; V350-S410 PolarHBondContact O-OG 2.88Å; V350-S410 VanDerWaalsContact O-OG 3.11Å; C351-S410 WeakPolarHBondContact CA-O 3.41Å; M352-S410 PolarHBondContact N-O 2.79Å; S410-N413 WeakPolarHBondContact OG-CB 3.41Å; S410-N413 PolarHBondContact OG-ND2 2.84Å
411	L	97.1	Very high	97.2	Very high	20 Å²	20	39.7 Å²	39.7	11%	0.105	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	136.3	174.5	-65.4	171.4	0	0	0	110.4	M352 C365 T368 I369 N413	M352-L411 HydrophobicContact CB-CD2 4.08Å; M352-L411 HydrophobicContact CG-CD2 3.93Å; M352-L411 HydrophobicContact SD-CD2 4.11Å; C365-L411 HydrophobicContact CB-CD1 3.98Å; C365-L411 WeakPolarHBondContact O-CD1 3.24Å; T368-L411 HydrophobicContact CG2-CD1 3.61Å; T368-L411 HydrophobicContact CG2-CD2 3.9Å; T368-L411 HydrophobicContact CG2-CG 4.43Å; I369-L411 HydrophobicContact CD1-CD1 4.07Å; I369-L411 HydrophobicContact CD1-CG 3.96Å; I369-L411 HydrophobicContact CG1-CD1 3.83Å; I369-L411 HydrophobicContact CG1-CG 4.27Å; L411-N413 PolarHBondContact O-N 3.32Å
412	Y	96	Very high	97.3	Very high	15 Å²	15	36 Å²	36	6%	0.059	18%	0.175	C	C	.	.	S	Bend	trans	46.3	35.3	169.3	-77.3	-94	0	0	0	115.2	M352 T353 I354 L357 T359 A360 L363 T414	M352-Y412 PolarHBondContact O-N 3.48Å; T353-Y412 HydrophobicContact CG2-CD1 3.78Å; T353-Y412 HydrophobicContact CG2-CD2 4.28Å; T353-Y412 HydrophobicContact CG2-CE1 3.83Å; T353-Y412 HydrophobicContact CG2-CE2 4.32Å; T353-Y412 HydrophobicContact CG2-CG 4.01Å; I354-Y412 PolarHBondContact N-OH 3.35Å; I354-Y412 PolarHBondContact O-OH 2.85Å; L357-Y412 WeakPolarHBondContact CB-OH 3.37Å; L357-Y412 WeakPolarHBondContact O-CE1 3.27Å; L357-Y412 PolarHBondContact O-OH 2.99Å; T359-Y412 VanDerWaalsContact C-CD1 3.46Å; T359-Y412 VanDerWaalsContact C-CE1 3.47Å; T359-Y412 WeakPolarHBondContact O-CE1 3.2Å; A360-Y412 HydrophobicContact CB-CD2 4.4Å; A360-Y412 HydrophobicContact CB-CG 3.99Å; L363-Y412 HydrophobicContact CD2-CD2 3.83Å; L363-Y412 HydrophobicContact CD2-CE2 3.67Å; Y412-T414 PolarHBondContact O-N 2.99Å
413	N	94.7	Very high	97.4	Very high	35 Å²	35	24.9 Å²	24.9	19%	0.187	13%	0.133	C	C	.	.			trans	-79.4	65.7	178.1	-164.8	-1.8	0	0	0	110.4	C351 S410 L411 A416 L417	C351-N413 PolarHBondContact SG-N 2.81Å; S410-N413 WeakPolarHBondContact OG-CB 3.41Å; S410-N413 PolarHBondContact OG-ND2 2.84Å; L411-N413 PolarHBondContact O-N 3.32Å; N413-A416 HydrophobicContact CB-CB 4.45Å; N413-A416 VanDerWaalsContact CG-CB 3.47Å; N413-A416 PolarHBondContact O-N 3.4Å; N413-A416 WeakPolarHBondContact OD1-CB 3.23Å; N413-L417 PolarHBondContact O-N 3.17Å
414	T	94.9	Very high	97.5	Very high	24 Å²	24	25.1 Å²	25.1	15%	0.147	14%	0.135	C	C	.	.	H	α-helix	trans	-63.8	-49.5	-172.8	61.4	0	0	0	0	111.3	Y412 A416 L417 H418 V495 D496	Y412-T414 PolarHBondContact O-N 2.99Å; T414-A416 PolarHBondContact O-N 2.86Å; T414-L417 WeakPolarHBondContact O-CA 3.42Å; T414-L417 VanDerWaalsContact O-CB 3.31Å; T414-L417 WeakPolarHBondContact O-CB 3.19Å; T414-L417 PolarHBondContact O-N 3.14Å; T414-H418 PolarHBondContact O-CD2 3.03Å; T414-H418 PolarHBondContact O-N 3.27Å; T414-H418 VanDerWaalsContact O-N 3.16Å; T414-V495 HydrophobicContact CG2-CG1 4.38Å; T414-V495 VanDerWaalsContact OG1-CG1 3.23Å; T414-V495 WeakPolarHBondContact OG1-CG1 3.06Å; T414-D496 PolarHBondContact OG1-OD2 2.84Å
415	L	96.8	Very high	97.6	Very high	26 Å²	26	24.1 Å²	24.1	14%	0.136	12%	0.123	C	C	.	.	H	α-helix	trans	-59.7	-31.9	-179.2	-60.7	179.3	0	0	0	111.8	H418 N419 V495 D496 W498 I500 F571 D572	L415-H418 PolarHBondContact O-N 3.36Å; L415-N419 PolarHBondContact O-N 3.44Å; L415-V495 HydrophobicContact CD2-CB 4.26Å; L415-V495 HydrophobicContact CD2-CG1 4.01Å; L415-D496 HydrophobicContact CD1-CB 4.37Å; L415-D496 HydrophobicContact CG-CB 4.44Å; L415-W498 HydrophobicContact CD2-CB 4.48Å; L415-I500 HydrophobicContact CD2-CG2 3.74Å; L415-F571 HydrophobicContact CD2-CB 4.49Å; L415-D572 HydrophobicContact CD1-CB 4.34Å
416	A	96.5	Very high	97.7	Very high	9 Å²	9	23.5 Å²	23.5	7%	0.074	12%	0.12	C	C	.	.	H	α-helix	trans	-72.1	-27.7	173.8	0	0	0	0	0	113.5	F334 N413 T414 H418 N419 T420	F334-A416 HydrophobicContact CD2-CB 3.53Å; F334-A416 HydrophobicContact CE2-CB 3.54Å; F334-A416 HydrophobicContact CG-CB 4.39Å; F334-A416 HydrophobicContact CZ-CB 4.38Å; N413-A416 HydrophobicContact CB-CB 4.45Å; N413-A416 VanDerWaalsContact CG-CB 3.47Å; N413-A416 PolarHBondContact O-N 3.4Å; N413-A416 WeakPolarHBondContact OD1-CB 3.23Å; T414-A416 PolarHBondContact O-N 2.86Å; A416-H418 VanDerWaalsContact C-N 3.35Å; A416-N419 PolarHBondContact O-OD1 3.16Å; A416-T420 WeakPolarHBondContact O-CB 3.34Å; A416-T420 PolarHBondContact O-N 2.97Å; A416-T420 PolarHBondContact O-OG1 2.98Å
417	L	97.8	Very high	97.7	Very high	48 Å²	48	21.3 Å²	21.3	25%	0.251	11%	0.11	S	C	.	.	H	α-helix	trans	-67.3	-38.4	168	-65.8	163.6	0	0	0	110.8	F334 C351 N413 T414 R421	F334-L417 HydrophobicContact CB-CD2 3.8Å; F334-L417 HydrophobicContact CB-CG 4.5Å; C351-L417 HydrophobicContact CB-CD1 4.29Å; C351-L417 HydrophobicContact CB-CD2 4.37Å; C351-L417 HydrophobicContact CB-CG 4.34Å; N413-L417 PolarHBondContact O-N 3.17Å; T414-L417 WeakPolarHBondContact O-CA 3.42Å; T414-L417 VanDerWaalsContact O-CB 3.31Å; T414-L417 WeakPolarHBondContact O-CB 3.19Å; T414-L417 PolarHBondContact O-N 3.14Å; L417-R421 PolarHBondContact O-N 3.17Å; L417-R421 VanDerWaalsContact O-N 3.13Å
418	H	98.4	Very high	97.7	Very high	35 Å²	35	24.3 Å²	24.3	16%	0.162	14%	0.135	C	C	.	.	H	α-helix	trans	-70.4	-45	176.6	-75.7	-89.2	0	0	0	112.9	T414 L415 A416 T420 R421 L422 I500 F571	T414-H418 PolarHBondContact O-CD2 3.03Å; T414-H418 PolarHBondContact O-N 3.27Å; T414-H418 VanDerWaalsContact O-N 3.16Å; L415-H418 PolarHBondContact O-N 3.36Å; A416-H418 VanDerWaalsContact C-N 3.35Å; H418-T420 VanDerWaalsContact C-N 3.27Å; H418-T420 PolarHBondContact O-N 3.32Å; H418-R421 PolarHBondContact O-N 2.91Å; H418-L422 PolarHBondContact O-N 2.97Å; H418-I500 HydrophobicContact CB-CB 4.21Å; H418-I500 HydrophobicContact CB-CG2 4.22Å; H418-I500 WeakPolarHBondContact CE1-CD1 2.82Å; H418-I500 WeakPolarHBondContact ND1-CD1 2.94Å; H418-I500 WeakPolarHBondContact ND1-CG1 3.21Å; H418-F571 HydrophobicContact CB-CD2 4.2Å; H418-F571 HydrophobicContact CB-CE2 3.91Å
419	N	97.3	Very high	97.8	Very high	20 Å²	20	24.7 Å²	24.7	11%	0.107	14%	0.137	C	C	.	.	H	α-helix	trans	-66.7	-30.2	176.1	77.4	25.2	0	0	0	112.1	L415 A416 L422 L423 Y460 F571	L415-N419 PolarHBondContact O-N 3.44Å; A416-N419 PolarHBondContact O-OD1 3.16Å; N419-L422 PolarHBondContact O-N 3.28Å; N419-L423 WeakPolarHBondContact O-CB 3.43Å; N419-L423 WeakPolarHBondContact O-CD1 3.17Å; N419-L423 PolarHBondContact O-N 2.95Å; N419-Y460 HydrophobicContact CB-CE2 4.33Å; N419-Y460 WeakPolarHBondContact CB-OH 3.16Å; N419-Y460 PolarHBondContact ND2-OH 3.12Å; N419-F571 HydrophobicContact CB-CD2 4.12Å; N419-F571 HydrophobicContact CB-CE2 4.19Å
420	T	98.7	Very high	97.8	Very high	8 Å²	8	26.1 Å²	26.1	5%	0.049	14%	0.144	C	C	.	.	H	α-helix	trans	-61.7	-46.8	170.5	-64	0	0	0	0	111.5	F334 G335 K338 N339 A416 H418 S424	F334-T420 HydrophobicContact CB-CG2 4.49Å; G335-T420 PolarHBondContact N-OG1 2.93Å; K338-T420 HydrophobicContact CB-CG2 3.72Å; N339-T420 HydrophobicContact CB-CG2 4.03Å; A416-T420 WeakPolarHBondContact O-CB 3.34Å; A416-T420 PolarHBondContact O-N 2.97Å; A416-T420 PolarHBondContact O-OG1 2.98Å; H418-T420 VanDerWaalsContact C-N 3.27Å; H418-T420 PolarHBondContact O-N 3.32Å; T420-S424 VanDerWaalsContact O-CB 3.31Å; T420-S424 WeakPolarHBondContact O-CB 3.22Å; T420-S424 PolarHBondContact O-N 2.67Å
421	R	98.8	Very high	97.8	Very high	121 Å²	121	29.7 Å²	29.7	46%	0.457	17%	0.168	S	C	.	.	H	α-helix	trans	-63.6	-45	175.5	-71.7	174.2	56.7	-156.7	-1.5	112	L417 H418 L423 S424 A425 F502 D504	L417-R421 PolarHBondContact O-N 3.17Å; L417-R421 VanDerWaalsContact O-N 3.13Å; H418-R421 PolarHBondContact O-N 2.91Å; R421-L423 PolarHBondContact O-N 3.43Å; R421-S424 WeakPolarHBondContact O-CB 3.47Å; R421-S424 PolarHBondContact O-N 3.42Å; R421-A425 WeakPolarHBondContact O-CB 3.37Å; R421-A425 PolarHBondContact O-N 2.85Å; R421-F502 HydrophobicContact CB-CE1 4.42Å; R421-F502 HydrophobicContact CB-CZ 3.72Å; R421-D504 IonicContact CZ-OD2 3.61Å; R421-D504 IonicContact NH2-OD2 3.32Å; R421-D504 PolarHBondContact NH2-OD2 3.05Å
422	L	98.9	Very high	97.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-57.8	-48.2	178.5	177.2	66	0	0	0	111.8	H418 N419 A425 Y426 L481 Q482 F502 I547 P570 F571	H418-L422 PolarHBondContact O-N 2.97Å; N419-L422 PolarHBondContact O-N 3.28Å; L422-A425 PolarHBondContact O-N 3.07Å; L422-Y426 HydrophobicContact CD1-CD2 4.09Å; L422-Y426 HydrophobicContact CD1-CE2 3.51Å; L422-Y426 HydrophobicContact CD2-CE2 4.31Å; L422-Y426 HydrophobicContact CG-CD2 4.04Å; L422-Y426 HydrophobicContact CG-CE2 3.7Å; L422-Y426 WeakPolarHBondContact O-CD2 3.4Å; L422-Y426 PolarHBondContact O-N 3.31Å; L422-L481 HydrophobicContact CD1-CB 4.21Å; L422-L481 HydrophobicContact CD1-CD1 4.3Å; L422-Q482 HydrophobicContact CD1-CG 4.48Å; L422-F502 HydrophobicContact CB-CD1 4.35Å; L422-F502 HydrophobicContact CB-CD2 4.43Å; L422-F502 HydrophobicContact CB-CE1 4.21Å; L422-F502 HydrophobicContact CB-CE2 4.27Å; L422-F502 HydrophobicContact CB-CG 4.48Å; L422-F502 HydrophobicContact CB-CZ 4.19Å; L422-F502 HydrophobicContact CD1-CB 3.78Å; L422-F502 HydrophobicContact CD1-CD1 4.18Å; L422-F502 HydrophobicContact CD1-CD2 3.56Å; L422-F502 HydrophobicContact CD1-CE2 4.18Å; L422-F502 HydrophobicContact CD1-CG 3.58Å; L422-I547 HydrophobicContact CD2-CD1 4.15Å; L422-P570 HydrophobicContact CD2-CB 3.61Å; L422-P570 HydrophobicContact CD2-CG 3.81Å; L422-F571 HydrophobicContact CB-CE2 4.2Å; L422-F571 HydrophobicContact CB-CZ 4.23Å; L422-F571 HydrophobicContact CD2-CE2 3.92Å; L422-F571 HydrophobicContact CD2-CZ 3.8Å; L422-F571 HydrophobicContact CG-CZ 4.5Å
423	L	98.8	Very high	98	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-66.3	-37.6	176.7	-92.7	57.8	0	0	0	112.1	N339 F341 N419 R421 Y426 S427 Y460 T463 L464 L467	N339-L423 HydrophobicContact CB-CB 3.87Å; N339-L423 CarbonylContact O-C 3.53Å; F341-L423 HydrophobicContact CD2-CB 4.41Å; F341-L423 HydrophobicContact CD2-CD2 4.49Å; F341-L423 HydrophobicContact CE2-CB 3.92Å; F341-L423 HydrophobicContact CE2-CD2 4.45Å; F341-L423 HydrophobicContact CE2-CG 4.14Å; N419-L423 WeakPolarHBondContact O-CB 3.43Å; N419-L423 WeakPolarHBondContact O-CD1 3.17Å; N419-L423 PolarHBondContact O-N 2.95Å; R421-L423 PolarHBondContact O-N 3.43Å; L423-Y426 PolarHBondContact O-N 2.69Å; L423-S427 WeakPolarHBondContact O-CB 3.34Å; L423-S427 PolarHBondContact O-N 3.41Å; L423-Y460 HydrophobicContact CD1-CE2 4.16Å; L423-Y460 HydrophobicContact CD2-CD2 3.7Å; L423-Y460 HydrophobicContact CD2-CE2 3.7Å; L423-T463 HydrophobicContact CD2-CG2 3.73Å; L423-T463 HydrophobicContact CG-CG2 4.18Å; L423-L464 HydrophobicContact CD1-CD2 4.05Å; L423-L467 HydrophobicContact CD1-CD1 4Å; L423-L467 HydrophobicContact CG-CD1 4.07Å
424	S	98.8	Very high	98.2	Very high	44 Å²	44	30.5 Å²	30.5	31%	0.308	17%	0.168	S	C	.	.	H	α-helix	trans	-62.4	-43.5	175.3	-152.6	0	0	0	0	111.7	K338 N339 T420 R421 S427 A428	K338-S424 PolarHBondContact O-OG 3.25Å; K338-S424 VanDerWaalsContact O-OG 3.09Å; N339-S424 WeakPolarHBondContact O-CA 3.36Å; N339-S424 PolarHBondContact O-N 2.9Å; T420-S424 VanDerWaalsContact O-CB 3.31Å; T420-S424 WeakPolarHBondContact O-CB 3.22Å; T420-S424 PolarHBondContact O-N 2.67Å; R421-S424 WeakPolarHBondContact O-CB 3.47Å; R421-S424 PolarHBondContact O-N 3.42Å; S424-S427 WeakPolarHBondContact O-CA 3.48Å; S424-S427 WeakPolarHBondContact O-CB 3.34Å; S424-S427 PolarHBondContact O-N 3.25Å; S424-S427 VanDerWaalsContact O-N 3.12Å; S424-S427 PolarHBondContact O-OG 3.14Å; S424-A428 PolarHBondContact O-N 3.41Å
425	A	98.8	Very high	98.4	Very high	12 Å²	12	32 Å²	32	10%	0.099	17%	0.171	C	C	.	.	H	α-helix	trans	-61.1	-48.2	175.2	0	0	0	0	0	111.6	R421 L422 S427 A428 I429 L481 F502 I506	R421-A425 WeakPolarHBondContact O-CB 3.37Å; R421-A425 PolarHBondContact O-N 2.85Å; L422-A425 PolarHBondContact O-N 3.07Å; A425-S427 VanDerWaalsContact C-N 3.26Å; A425-S427 PolarHBondContact O-N 3.46Å; A425-A428 WeakPolarHBondContact O-CB 3.22Å; A425-A428 PolarHBondContact O-N 3.46Å; A425-I429 PolarHBondContact O-N 2.82Å; A425-L481 HydrophobicContact CB-CD1 3.96Å; A425-F502 HydrophobicContact CB-CE2 4.07Å; A425-I506 HydrophobicContact CB-CD1 4.17Å; A425-I506 HydrophobicContact CB-CG1 4.14Å
426	Y	98.9	Very high	98.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-57.2	-38.2	171.5	-77.1	-58.3	0	0	0	112.8	L422 L423 A428 I429 L467 Q471 I478 P479 L481 I547	L422-Y426 HydrophobicContact CD1-CD2 4.09Å; L422-Y426 HydrophobicContact CD1-CE2 3.51Å; L422-Y426 HydrophobicContact CD2-CE2 4.31Å; L422-Y426 HydrophobicContact CG-CD2 4.04Å; L422-Y426 HydrophobicContact CG-CE2 3.7Å; L422-Y426 WeakPolarHBondContact O-CD2 3.4Å; L422-Y426 PolarHBondContact O-N 3.31Å; L423-Y426 PolarHBondContact O-N 2.69Å; Y426-A428 PolarHBondContact O-N 3.46Å; Y426-I429 HydrophobicContact CD1-CD1 3.86Å; Y426-I429 HydrophobicContact CE1-CD1 4.46Å; Y426-I429 PolarHBondContact O-N 2.94Å; Y426-L467 HydrophobicContact CD1-CD2 4.47Å; Y426-L467 HydrophobicContact CD2-CD1 3.82Å; Y426-L467 HydrophobicContact CD2-CD2 4.28Å; Y426-L467 HydrophobicContact CE2-CD1 4.38Å; Y426-L467 HydrophobicContact CG-CD1 4.32Å; Y426-L467 HydrophobicContact CG-CD2 3.95Å; Y426-Q471 PolarHBondContact OH-NE2 3.26Å; Y426-Q471 VanDerWaalsContact OH-NE2 3.08Å; Y426-I478 HydrophobicContact CD1-CB 4.35Å; Y426-I478 HydrophobicContact CD1-CD1 3.82Å; Y426-I478 HydrophobicContact CD1-CG1 4.43Å; Y426-I478 HydrophobicContact CE1-CD1 4.13Å; Y426-I478 HydrophobicContact CE1-CG1 4.48Å; Y426-I478 HydrophobicContact CG-CD1 4.48Å; Y426-P479 WeakPolarHBondContact CE1-O 3.46Å; Y426-L481 HydrophobicContact CD1-CD1 3.73Å; Y426-L481 HydrophobicContact CD1-CG 4.08Å; Y426-L481 HydrophobicContact CD2-CD1 4.27Å; Y426-L481 HydrophobicContact CE1-CB 4.25Å; Y426-L481 HydrophobicContact CE1-CD1 3.64Å; Y426-L481 HydrophobicContact CE1-CG 3.53Å; Y426-L481 HydrophobicContact CE2-CD1 4.21Å; Y426-L481 HydrophobicContact CG-CD1 4.04Å; Y426-L481 PolarHBondContact OH-N 2.79Å; Y426-I547 HydrophobicContact CE2-CD1 4.02Å
427	S	98.6	Very high	98.6	Very high	5 Å²	5	30.4 Å²	30.4	4%	0.035	16%	0.162	C	C	.	.	H	α-helix	trans	-66.1	-13.6	177.2	95.1	0	0	0	0	114.1	F341 L423 S424 A425 K434	F341-S427 VanDerWaalsContact CZ-CB 3.5Å; L423-S427 WeakPolarHBondContact O-CB 3.34Å; L423-S427 PolarHBondContact O-N 3.41Å; S424-S427 WeakPolarHBondContact O-CA 3.48Å; S424-S427 WeakPolarHBondContact O-CB 3.34Å; S424-S427 PolarHBondContact O-N 3.25Å; S424-S427 VanDerWaalsContact O-N 3.12Å; S424-S427 PolarHBondContact O-OG 3.14Å; A425-S427 VanDerWaalsContact C-N 3.26Å; A425-S427 PolarHBondContact O-N 3.46Å; S427-K434 WeakPolarHBondContact O-CE 3.49Å; S427-K434 PolarHBondContact O-NZ 3.36Å; S427-K434 WeakPolarHBondContact OG-CE 3.49Å; S427-K434 PolarHBondContact OG-NZ 3.37Å; S427-K434 VanDerWaalsContact OG-NZ 3.15Å
428	A	98.5	Very high	98.7	Very high	62 Å²	62	28.6 Å²	28.6	51%	0.512	15%	0.152	S	C	.	.	H	α-helix	trans	-98.7	-16.3	-179.4	0	0	0	0	0	113.8	S424 A425 Y426 I506	S424-A428 PolarHBondContact O-N 3.41Å; A425-A428 WeakPolarHBondContact O-CB 3.22Å; A425-A428 PolarHBondContact O-N 3.46Å; Y426-A428 PolarHBondContact O-N 3.46Å; A428-I506 HydrophobicContact CB-CG2 4.35Å
429	I	98.6	Very high	98.7	Very high	33 Å²	33	27 Å²	27	17%	0.169	14%	0.144	C	C	.	.	H	α-helix	trans	-67	-49.1	-178.2	-58.8	179.2	0	0	0	111.7	A425 Y426 I478 P479 L481 I506 L509 W513	A425-I429 PolarHBondContact O-N 2.82Å; Y426-I429 HydrophobicContact CD1-CD1 3.86Å; Y426-I429 HydrophobicContact CE1-CD1 4.46Å; Y426-I429 PolarHBondContact O-N 2.94Å; I429-I478 HydrophobicContact CB-CG2 4.42Å; I429-I478 HydrophobicContact CD1-CB 4.41Å; I429-I478 HydrophobicContact CD1-CG2 4.36Å; I429-I478 HydrophobicContact CG2-CG2 4.3Å; I429-P479 HydrophobicContact CD1-CG 4.2Å; I429-L481 HydrophobicContact CD1-CD1 4.29Å; I429-L481 HydrophobicContact CD1-CD2 4.15Å; I429-L481 HydrophobicContact CD1-CG 4.41Å; I429-I506 HydrophobicContact CD1-CD1 4.38Å; I429-I506 HydrophobicContact CG1-CD1 4.09Å; I429-I506 HydrophobicContact CG1-CG2 3.97Å; I429-L509 HydrophobicContact CD1-CD2 3.87Å; I429-L509 HydrophobicContact CG1-CD2 3.94Å; I429-L509 HydrophobicContact CG2-CD2 3.92Å; I429-W513 HydrophobicContact CG2-CZ3 4.36Å
430	D	98.6	Very high	98.8	Very high	29 Å²	29	26.1 Å²	26.1	16%	0.155	14%	0.139	C	C	.	.			trans	-150.1	131.4	-174.3	-174	-46.4	0	0	0	110.2	R432 V433	D430-R432 PolarHBondContact O-N 2.82Å; D430-R432 VanDerWaalsContact O-N 3.09Å; D430-R432 WeakPolarHBondContact OD1-CB 3.5Å; D430-R432 WeakPolarHBondContact OD1-CG 3.43Å; D430-R432 PolarHBondContact OD1-N 2.97Å; D430-R432 IonicContact OD1-NE 3.61Å; D430-R432 PolarHBondContact OD1-NE 3.27Å; D430-R432 IonicContact OD2-CZ 2.98Å; D430-R432 IonicContact OD2-NE 3.85Å; D430-R432 PolarHBondContact OD2-NE 2.97Å; D430-R432 IonicContact OD2-NH2 3.64Å; D430-R432 PolarHBondContact OD2-NH2 2.76Å; D430-V433 HydrophobicContact CB-CG2 4.27Å; D430-V433 WeakPolarHBondContact O-CB 3.3Å; D430-V433 WeakPolarHBondContact O-CG2 3.38Å; D430-V433 PolarHBondContact O-N 2.99Å
431	P	98.7	Very high	98.8	Very high	78 Å²	78	26.5 Å²	26.5	51%	0.506	14%	0.14	S	C	.	.	H	α-helix	trans	-52.8	-29.5	176.6	-27.8	35.7	0	0	0	114.9	V433 K434 Y435	P431-V433 PolarHBondContact O-N 3.17Å; P431-K434 PolarHBondContact O-N 3.1Å; P431-K434 VanDerWaalsContact O-N 3.09Å; P431-Y435 HydrophobicContact CB-CD2 4.35Å; P431-Y435 HydrophobicContact CB-CE2 3.61Å; P431-Y435 VanDerWaalsContact O-CD2 3.23Å; P431-Y435 WeakPolarHBondContact O-CD2 3.44Å; P431-Y435 PolarHBondContact O-N 2.54Å
432	R	98.8	Very high	98.8	Very high	35 Å²	35	21 Å²	21	13%	0.132	12%	0.121	C	C	.	.	H	α-helix	trans	-58.9	-32.4	176.7	-62.5	179.7	-70.1	170.9	-2.4	112.1	D430 Y435 L436 N519 E521 V523 L526	D430-R432 PolarHBondContact O-N 2.82Å; D430-R432 VanDerWaalsContact O-N 3.09Å; D430-R432 WeakPolarHBondContact OD1-CB 3.5Å; D430-R432 WeakPolarHBondContact OD1-CG 3.43Å; D430-R432 PolarHBondContact OD1-N 2.97Å; D430-R432 IonicContact OD1-NE 3.61Å; D430-R432 PolarHBondContact OD1-NE 3.27Å; D430-R432 IonicContact OD2-CZ 2.98Å; D430-R432 IonicContact OD2-NE 3.85Å; D430-R432 PolarHBondContact OD2-NE 2.97Å; D430-R432 IonicContact OD2-NH2 3.64Å; D430-R432 PolarHBondContact OD2-NH2 2.76Å; R432-Y435 PolarHBondContact O-N 3.34Å; R432-L436 WeakPolarHBondContact O-CB 3.33Å; R432-L436 WeakPolarHBondContact O-CD1 3.35Å; R432-L436 VanDerWaalsContact O-CG 3.27Å; R432-L436 WeakPolarHBondContact O-CG 3.43Å; R432-L436 PolarHBondContact O-N 3.36Å; R432-N519 VanDerWaalsContact CZ-O 3.31Å; R432-N519 PolarHBondContact NH1-O 3.34Å; R432-N519 PolarHBondContact NH1-OD1 3.48Å; R432-N519 PolarHBondContact NH2-O 2.9Å; R432-E521 WeakPolarHBondContact CD-O 3.29Å; R432-E521 PolarHBondContact NH1-O 3.39Å; R432-V523 HydrophobicContact CG-CG2 4.22Å; R432-L526 HydrophobicContact CB-CD1 4.34Å
433	V	98.9	Very high	98.8	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-60.1	-48.9	174	-176.1	0	0	0	0	110.3	F341 D430 P431 C437 L467 L470 I478	F341-V433 HydrophobicContact CE1-CG1 4.23Å; F341-V433 HydrophobicContact CZ-CG1 3.99Å; D430-V433 HydrophobicContact CB-CG2 4.27Å; D430-V433 WeakPolarHBondContact O-CB 3.3Å; D430-V433 WeakPolarHBondContact O-CG2 3.38Å; D430-V433 PolarHBondContact O-N 2.99Å; P431-V433 PolarHBondContact O-N 3.17Å; V433-C437 WeakPolarHBondContact O-CB 3.32Å; V433-C437 PolarHBondContact O-N 3.1Å; V433-C437 PolarHBondContact O-SG 2.79Å; V433-L467 HydrophobicContact CG1-CD2 3.77Å; V433-L470 HydrophobicContact CG2-CD1 4.19Å; V433-I478 HydrophobicContact CG2-CG2 3.47Å; V433-I478 VanDerWaalsContact CG2-CG2 3.47Å
434	K	98.8	Very high	98.8	Very high	51 Å²	51	21.1 Å²	21.1	22%	0.222	12%	0.121	C	C	.	.	H	α-helix	trans	-61.9	-51.7	176	-80.4	176	166.8	122.3	0	111.1	Y298 F341 S427 P431 L436 C437 Y438	Y298-K434 HydrophobicContact CD2-CB 4.5Å; Y298-K434 HydrophobicContact CE2-CD 4.43Å; F341-K434 HydrophobicContact CD1-CG 4.31Å; F341-K434 HydrophobicContact CE1-CG 3.97Å; S427-K434 WeakPolarHBondContact O-CE 3.49Å; S427-K434 PolarHBondContact O-NZ 3.36Å; S427-K434 WeakPolarHBondContact OG-CE 3.49Å; S427-K434 PolarHBondContact OG-NZ 3.37Å; S427-K434 VanDerWaalsContact OG-NZ 3.15Å; P431-K434 PolarHBondContact O-N 3.1Å; P431-K434 VanDerWaalsContact O-N 3.09Å; K434-L436 VanDerWaalsContact C-N 3.29Å; K434-L436 PolarHBondContact O-N 3.38Å; K434-C437 PolarHBondContact O-N 2.92Å; K434-Y438 WeakPolarHBondContact O-CD2 3.33Å; K434-Y438 PolarHBondContact O-N 3.48Å
435	Y	98.9	Very high	98.7	Very high	56 Å²	56	25.9 Å²	25.9	22%	0.22	14%	0.136	C	C	.	.	H	α-helix	trans	-57.4	-40.8	-178.2	-54.1	-41	0	0	0	112.7	I295 Y298 P431 R432 T439 V523	I295-Y435 HydrophobicContact CG1-CD1 4.21Å; I295-Y435 HydrophobicContact CG1-CD2 3.94Å; I295-Y435 HydrophobicContact CG1-CE1 4.32Å; I295-Y435 HydrophobicContact CG1-CE2 4.05Å; I295-Y435 HydrophobicContact CG1-CG 4.04Å; I295-Y435 HydrophobicContact CG2-CE1 4.36Å; Y298-Y435 HydrophobicContact CD1-CD1 4.12Å; Y298-Y435 AromaticContact CD1-CE1 3.74Å; Y298-Y435 HydrophobicContact CD1-CE1 3.74Å; Y298-Y435 HydrophobicContact CE1-CE1 4.39Å; Y298-Y435 AromaticContact CG-CD1 3.97Å; Y298-Y435 HydrophobicContact CG-CD1 3.97Å; Y298-Y435 HydrophobicContact CG-CE1 4.07Å; P431-Y435 HydrophobicContact CB-CD2 4.35Å; P431-Y435 HydrophobicContact CB-CE2 3.61Å; P431-Y435 VanDerWaalsContact O-CD2 3.23Å; P431-Y435 WeakPolarHBondContact O-CD2 3.44Å; P431-Y435 PolarHBondContact O-N 2.54Å; R432-Y435 PolarHBondContact O-N 3.34Å; Y435-T439 WeakPolarHBondContact O-CB 3.42Å; Y435-T439 PolarHBondContact O-N 3.49Å; Y435-T439 PolarHBondContact O-OG1 2.94Å; Y435-V523 HydrophobicContact CD2-CG1 4.4Å; Y435-V523 HydrophobicContact CD2-CG2 3.7Å; Y435-V523 HydrophobicContact CE2-CG2 4.47Å; Y435-V523 HydrophobicContact CG-CG1 4.43Å; Y435-V523 HydrophobicContact CG-CG2 4.46Å
436	L	98.9	Very high	98.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-72.8	-41.9	178	-67.6	167.3	0	0	0	113.1	R432 K434 Y438 T439 M440 V466 L470 V523 L526 W527	R432-L436 WeakPolarHBondContact O-CB 3.33Å; R432-L436 WeakPolarHBondContact O-CD1 3.35Å; R432-L436 VanDerWaalsContact O-CG 3.27Å; R432-L436 WeakPolarHBondContact O-CG 3.43Å; R432-L436 PolarHBondContact O-N 3.36Å; K434-L436 VanDerWaalsContact C-N 3.29Å; K434-L436 PolarHBondContact O-N 3.38Å; L436-Y438 VanDerWaalsContact C-N 3.32Å; L436-Y438 PolarHBondContact O-N 3.24Å; L436-T439 PolarHBondContact O-N 3.12Å; L436-M440 WeakPolarHBondContact O-CB 3.49Å; L436-M440 PolarHBondContact O-N 3.43Å; L436-V466 HydrophobicContact CB-CG1 3.77Å; L436-L470 HydrophobicContact CD1-CD1 4.11Å; L436-L470 HydrophobicContact CD1-CD2 3.7Å; L436-L470 HydrophobicContact CD1-CG 4.38Å; L436-V523 HydrophobicContact CD2-CG1 4.11Å; L436-V523 HydrophobicContact CG-CG1 4.19Å; L436-L526 HydrophobicContact CD1-CB 3.71Å; L436-L526 HydrophobicContact CD1-CD1 4.07Å; L436-L526 HydrophobicContact CD2-CB 4.19Å; L436-W527 HydrophobicContact CD2-CB 3.75Å; L436-W527 HydrophobicContact CD2-CE3 4.41Å
437	C	98.9	Very high	98.6	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.014	15%	0.152	C	C	.	.	H	α-helix	trans	-62.4	-38	175.5	-73.3	0	0	0	0	112.3	F341 V433 K434 K441	F341-C437 HydrophobicContact CD1-CB 3.43Å; F341-C437 VanDerWaalsContact CD1-CB 3.43Å; F341-C437 HydrophobicContact CE1-CB 3.57Å; F341-C437 HydrophobicContact CG-CB 4Å; F341-C437 HydrophobicContact CZ-CB 4.23Å; V433-C437 WeakPolarHBondContact O-CB 3.32Å; V433-C437 PolarHBondContact O-N 3.1Å; V433-C437 PolarHBondContact O-SG 2.79Å; K434-C437 PolarHBondContact O-N 2.92Å; C437-K441 WeakPolarHBondContact O-CB 3.25Å; C437-K441 PolarHBondContact O-N 3.21Å; C437-K441 VanDerWaalsContact O-N 3.08Å
438	Y	98.9	Very high	98.6	Very high	10 Å²	10	32 Å²	32	4%	0.039	17%	0.165	C	C	.	.	H	α-helix	trans	-70.1	-43	173.7	-82.5	-110	0	0	0	111.7	Y298 G340 F341 G342 F343 K434 L436 M440 K441 V442	Y298-Y438 HydrophobicContact CD2-CD1 4.07Å; Y298-Y438 AromaticContact CD2-CD2 3.81Å; Y298-Y438 HydrophobicContact CD2-CD2 3.81Å; Y298-Y438 AromaticContact CD2-CE1 3.93Å; Y298-Y438 HydrophobicContact CD2-CE1 3.93Å; Y298-Y438 AromaticContact CD2-CE2 3.6Å; Y298-Y438 HydrophobicContact CD2-CE2 3.6Å; Y298-Y438 HydrophobicContact CD2-CG 4Å; Y298-Y438 AromaticContact CD2-CZ 3.66Å; Y298-Y438 HydrophobicContact CE2-CE1 4.48Å; Y298-Y438 AromaticContact CE2-CE2 3.96Å; Y298-Y438 HydrophobicContact CE2-CE2 3.96Å; Y298-Y438 AromaticContact CE2-CZ 3.9Å; G340-Y438 WeakPolarHBondContact O-CE2 3.21Å; G340-Y438 PolarHBondContact O-OH 3.25Å; F341-Y438 HydrophobicContact CB-CE2 4.43Å; F341-Y438 HydrophobicContact CD1-CD2 4.41Å; F341-Y438 HydrophobicContact CD1-CE2 4.23Å; G342-Y438 WeakPolarHBondContact O-CE1 3.14Å; G342-Y438 PolarHBondContact O-OH 3.42Å; F343-Y438 AromaticContact CD1-CD1 3.92Å; F343-Y438 HydrophobicContact CD1-CD1 3.92Å; F343-Y438 AromaticContact CD1-CE1 3.97Å; F343-Y438 HydrophobicContact CD1-CE1 3.97Å; F343-Y438 AromaticContact CE1-CD1 3.54Å; F343-Y438 HydrophobicContact CE1-CD1 3.54Å; F343-Y438 HydrophobicContact CE1-CE1 4.08Å; F343-Y438 HydrophobicContact CE1-CG 4.21Å; K434-Y438 WeakPolarHBondContact O-CD2 3.33Å; K434-Y438 PolarHBondContact O-N 3.48Å; L436-Y438 VanDerWaalsContact C-N 3.32Å; L436-Y438 PolarHBondContact O-N 3.24Å; Y438-M440 PolarHBondContact O-N 3.05Å; Y438-K441 CarbonylContact O-C 3.54Å; Y438-K441 PolarHBondContact O-N 3.39Å; Y438-V442 WeakPolarHBondContact O-CG2 3.44Å; Y438-V442 PolarHBondContact O-N 3.03Å
439	T	98.9	Very high	98.6	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-60.1	-45.2	177	-58.1	0	0	0	0	111.8	C294 Y435 L436 K441 V442 F443 W527 F619	C294-T439 VanDerWaalsContact CA-OG1 3.24Å; C294-T439 WeakPolarHBondContact CA-OG1 3.48Å; C294-T439 HydrophobicContact CB-CG2 4.47Å; C294-T439 WeakPolarHBondContact CB-OG1 3.22Å; C294-T439 PolarHBondContact O-OG1 2.85Å; Y435-T439 WeakPolarHBondContact O-CB 3.42Å; Y435-T439 PolarHBondContact O-N 3.49Å; Y435-T439 PolarHBondContact O-OG1 2.94Å; L436-T439 PolarHBondContact O-N 3.12Å; T439-K441 VanDerWaalsContact C-N 3.31Å; T439-K441 PolarHBondContact O-N 2.99Å; T439-V442 PolarHBondContact O-N 3.23Å; T439-F443 WeakPolarHBondContact O-CB 3.21Å; T439-F443 PolarHBondContact O-N 3.43Å; T439-W527 HydrophobicContact CG2-CD2 3.5Å; T439-W527 HydrophobicContact CG2-CE3 3.69Å; T439-W527 HydrophobicContact CG2-CG 4.05Å; T439-W527 HydrophobicContact CG2-CH2 4.05Å; T439-W527 HydrophobicContact CG2-CZ2 3.87Å; T439-W527 HydrophobicContact CG2-CZ3 3.96Å; T439-F619 HydrophobicContact CG2-CZ 4.11Å
440	M	98.9	Very high	98.5	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.01	15%	0.145	C	C	.	.	H	α-helix	trans	-59.2	-39.8	172	176.9	58.5	74.6	0	0	112.2	L436 Y438 F443 T444 Y462 V466 W527 L530 F593	L436-M440 WeakPolarHBondContact O-CB 3.49Å; L436-M440 PolarHBondContact O-N 3.43Å; Y438-M440 PolarHBondContact O-N 3.05Å; M440-F443 PolarHBondContact O-N 2.94Å; M440-F443 HydrophobicContact SD-CD1 4.37Å; M440-T444 HydrophobicContact CG-CG2 4.41Å; M440-T444 WeakPolarHBondContact O-CB 3.4Å; M440-T444 WeakPolarHBondContact O-CG2 3.42Å; M440-T444 PolarHBondContact O-N 3.34Å; M440-T444 PolarHBondContact O-OG1 3.05Å; M440-T444 HydrophobicContact SD-CG2 3.57Å; M440-T444 VanDerWaalsContact SD-CG2 3.57Å; M440-Y462 HydrophobicContact CG-CG 4.5Å; M440-Y462 HydrophobicContact SD-CD1 3.97Å; M440-Y462 HydrophobicContact SD-CG 4.34Å; M440-V466 HydrophobicContact CB-CG2 3.6Å; M440-V466 HydrophobicContact CE-CG2 4.04Å; M440-V466 HydrophobicContact CG-CG2 3.73Å; M440-W527 HydrophobicContact CB-CZ3 4.26Å; M440-W527 HydrophobicContact CE-CZ3 4.13Å; M440-L530 HydrophobicContact CE-CD1 4.13Å; M440-L530 HydrophobicContact CE-CD2 3.36Å; M440-L530 HydrophobicContact CE-CG 4.44Å; M440-F593 HydrophobicContact CE-CE1 3.94Å; M440-F593 HydrophobicContact CE-CZ 3.8Å; M440-F593 HydrophobicContact SD-CZ 3.98Å
441	K	98.6	Very high	98.4	Very high	16 Å²	16	29.2 Å²	29.2	7%	0.07	15%	0.148	C	C	.	.	H	α-helix	trans	-72.5	-32.5	179.2	-166.9	170	-63.2	-168.5	0	113	F341 F343 C437 Y438 T439 K445	F341-K441 PolarHBondContact O-NZ 2.79Å; F343-K441 HydrophobicContact CD1-CD 3.83Å; F343-K441 HydrophobicContact CD1-CG 4.37Å; F343-K441 HydrophobicContact CD2-CD 4.49Å; F343-K441 HydrophobicContact CE1-CB 3.87Å; F343-K441 HydrophobicContact CE1-CD 3.7Å; F343-K441 HydrophobicContact CE1-CG 3.82Å; F343-K441 HydrophobicContact CE2-CB 4.48Å; F343-K441 HydrophobicContact CE2-CD 4.39Å; F343-K441 HydrophobicContact CE2-CG 3.98Å; F343-K441 HydrophobicContact CG-CD 4.24Å; F343-K441 HydrophobicContact CZ-CB 3.68Å; F343-K441 HydrophobicContact CZ-CD 4Å; F343-K441 HydrophobicContact CZ-CG 3.61Å; C437-K441 WeakPolarHBondContact O-CB 3.25Å; C437-K441 PolarHBondContact O-N 3.21Å; C437-K441 VanDerWaalsContact O-N 3.08Å; Y438-K441 CarbonylContact O-C 3.54Å; Y438-K441 PolarHBondContact O-N 3.39Å; T439-K441 VanDerWaalsContact C-N 3.31Å; T439-K441 PolarHBondContact O-N 2.99Å; K441-K445 WeakPolarHBondContact O-CB 3.27Å; K441-K445 PolarHBondContact O-N 3.17Å
442	V	98.8	Very high	98.2	Very high	7 Å²	7	27.7 Å²	27.7	4%	0.042	14%	0.142	C	C	.	.	H	α-helix	trans	-64.3	-56.4	167.8	176	0	0	0	0	109.2	C297 F301 F343 Y438 T439 T444 K445 M446 F619	C297-V442 HydrophobicContact CB-CG2 3.91Å; F301-V442 HydrophobicContact CD2-CG2 3.47Å; F301-V442 VanDerWaalsContact CD2-CG2 3.47Å; F301-V442 HydrophobicContact CE2-CG1 4.4Å; F301-V442 HydrophobicContact CE2-CG2 3.61Å; F301-V442 HydrophobicContact CG-CG2 4.37Å; F343-V442 HydrophobicContact CE2-CG2 4.34Å; F343-V442 HydrophobicContact CZ-CG2 3.76Å; Y438-V442 WeakPolarHBondContact O-CG2 3.44Å; Y438-V442 PolarHBondContact O-N 3.03Å; T439-V442 PolarHBondContact O-N 3.23Å; V442-T444 PolarHBondContact O-N 3.11Å; V442-K445 PolarHBondContact O-N 2.92Å; V442-K445 VanDerWaalsContact O-N 3.11Å; V442-M446 HydrophobicContact CG1-CG 4.05Å; V442-M446 VanDerWaalsContact O-CG 3.3Å; V442-M446 WeakPolarHBondContact O-CG 3.39Å; V442-M446 PolarHBondContact O-N 3.2Å; V442-F619 HydrophobicContact CB-CE1 4.32Å; V442-F619 HydrophobicContact CB-CZ 4.38Å; V442-F619 HydrophobicContact CG1-CD1 3.84Å; V442-F619 HydrophobicContact CG1-CD2 3.93Å; V442-F619 HydrophobicContact CG1-CE1 3.92Å; V442-F619 HydrophobicContact CG1-CE2 4.02Å; V442-F619 HydrophobicContact CG1-CG 3.84Å; V442-F619 HydrophobicContact CG1-CZ 4.02Å
443	F	98.9	Very high	97.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-50.8	-54.3	-178.5	-179.4	-109.3	0	0	0	112.9	T439 M440 K445 M446 C447 W527 L531 A592 F593 F600 F619 L624	T439-F443 WeakPolarHBondContact O-CB 3.21Å; T439-F443 PolarHBondContact O-N 3.43Å; M440-F443 PolarHBondContact O-N 2.94Å; M440-F443 HydrophobicContact SD-CD1 4.37Å; F443-K445 VanDerWaalsContact C-N 3.3Å; F443-K445 PolarHBondContact O-N 3.42Å; F443-M446 PolarHBondContact O-N 3.02Å; F443-C447 WeakPolarHBondContact O-CB 3.34Å; F443-C447 PolarHBondContact O-N 2.88Å; F443-C447 PolarHBondContact O-SG 3.49Å; F443-C447 VanDerWaalsContact O-SG 3.32Å; F443-W527 HydrophobicContact CB-CH2 3.8Å; F443-W527 HydrophobicContact CB-CZ2 4.11Å; F443-W527 HydrophobicContact CD1-CH2 4.06Å; F443-W527 HydrophobicContact CD2-CH2 4.38Å; F443-W527 HydrophobicContact CD2-CZ2 4.12Å; F443-W527 AromaticContact CG-CH2 3.84Å; F443-W527 HydrophobicContact CG-CH2 3.84Å; F443-W527 HydrophobicContact CG-CZ2 4.03Å; F443-L531 HydrophobicContact CE1-CD2 4.34Å; F443-L531 HydrophobicContact CZ-CD2 4.15Å; F443-A592 WeakPolarHBondContact CZ-O 3.44Å; F443-F593 HydrophobicContact CD1-CE2 4.48Å; F443-F593 AromaticContact CE1-CD2 3.82Å; F443-F593 HydrophobicContact CE1-CD2 3.82Å; F443-F593 AromaticContact CE1-CE2 3.83Å; F443-F593 HydrophobicContact CE1-CE2 3.83Å; F443-F593 HydrophobicContact CE1-CG 4.22Å; F443-F593 HydrophobicContact CE1-CZ 4.25Å; F443-F600 HydrophobicContact CD2-CE2 4.39Å; F443-F619 HydrophobicContact CB-CD1 4.4Å; F443-F619 HydrophobicContact CB-CE1 4.02Å; F443-F619 HydrophobicContact CD2-CD1 4.44Å; F443-F619 HydrophobicContact CD2-CE1 4.45Å; F443-L624 HydrophobicContact CD2-CD1 4.03Å; F443-L624 HydrophobicContact CE2-CD1 3.93Å; F443-L624 HydrophobicContact CE2-CD2 4.04Å
444	T	98.6	Very high	97.8	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.012	16%	0.164	C	C	.	.	H	α-helix	trans	-70.5	-23.3	-177.8	52.7	0	0	0	0	113.8	M440 V442 D448 I449 G450 Y462	M440-T444 HydrophobicContact CG-CG2 4.41Å; M440-T444 WeakPolarHBondContact O-CB 3.4Å; M440-T444 WeakPolarHBondContact O-CG2 3.42Å; M440-T444 PolarHBondContact O-N 3.34Å; M440-T444 PolarHBondContact O-OG1 3.05Å; M440-T444 HydrophobicContact SD-CG2 3.57Å; M440-T444 VanDerWaalsContact SD-CG2 3.57Å; V442-T444 PolarHBondContact O-N 3.11Å; T444-D448 PolarHBondContact O-N 3.33Å; T444-I449 HydrophobicContact CG2-CD1 4.17Å; T444-I449 HydrophobicContact CG2-CG1 4.14Å; T444-I449 WeakPolarHBondContact O-CG1 3.49Å; T444-I449 PolarHBondContact O-N 3.29Å; T444-G450 PolarHBondContact O-N 3.02Å; T444-Y462 HydrophobicContact CG2-CD1 3.68Å; T444-Y462 HydrophobicContact CG2-CD2 3.67Å; T444-Y462 HydrophobicContact CG2-CE1 3.65Å; T444-Y462 HydrophobicContact CG2-CE2 3.62Å; T444-Y462 HydrophobicContact CG2-CG 3.69Å
445	K	97.8	Very high	97.6	Very high	143 Å²	143	29.4 Å²	29.4	62%	0.622	16%	0.157	S	C	*	.	H	α-helix	trans	-81.4	-35.3	173.8	-170.1	178.3	-172.9	-59.7	0	112.4	F343 K441 V442 F443 D448	F343-K445 HydrophobicContact CD2-CD 4.5Å; F343-K445 HydrophobicContact CE2-CD 4.34Å; K441-K445 WeakPolarHBondContact O-CB 3.27Å; K441-K445 PolarHBondContact O-N 3.17Å; V442-K445 PolarHBondContact O-N 2.92Å; V442-K445 VanDerWaalsContact O-N 3.11Å; F443-K445 VanDerWaalsContact C-N 3.3Å; F443-K445 PolarHBondContact O-N 3.42Å; K445-D448 PolarHBondContact O-N 3.43Å
446	M	98	Very high	97.5	Very high	85 Å²	85	27 Å²	27	42%	0.419	15%	0.148	S	C	.	.	H	α-helix	trans	-72.5	-36.3	176.1	-65.9	-63.6	-71.2	0	0	111.6	V442 F443 D448 F619 P621	V442-M446 HydrophobicContact CG1-CG 4.05Å; V442-M446 VanDerWaalsContact O-CG 3.3Å; V442-M446 WeakPolarHBondContact O-CG 3.39Å; V442-M446 PolarHBondContact O-N 3.2Å; F443-M446 PolarHBondContact O-N 3.02Å; M446-D448 PolarHBondContact O-N 3.38Å; M446-F619 HydrophobicContact CB-CB 4.46Å; M446-F619 HydrophobicContact CE-CB 4.45Å; M446-F619 WeakPolarHBondContact CE-O 3.18Å; M446-F619 HydrophobicContact CG-CB 4.13Å; M446-P621 HydrophobicContact CE-CG 4Å
447	C	98.2	Very high	97.4	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.007	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	1.5	171.5	-61.6	0	0	0	0	114.3	F443 I449 F588 A592 T625	F443-C447 WeakPolarHBondContact O-CB 3.34Å; F443-C447 PolarHBondContact O-N 2.88Å; F443-C447 PolarHBondContact O-SG 3.49Å; F443-C447 VanDerWaalsContact O-SG 3.32Å; C447-I449 VanDerWaalsContact C-N 3.3Å; C447-I449 HydrophobicContact CB-CD1 3.95Å; C447-I449 HydrophobicContact CB-CG1 3.97Å; C447-I449 PolarHBondContact O-N 3.14Å; C447-F588 WeakPolarHBondContact O-CE1 3.34Å; C447-A592 HydrophobicContact CB-CB 4.19Å; C447-T625 HydrophobicContact CB-CG2 4.1Å
448	D	98	Very high	97.4	Very high	60 Å²	60	28.6 Å²	28.6	32%	0.321	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	32.4	-180	-159.8	37.9	0	0	0	115.9	T444 K445 M446 R454 A630	T444-D448 PolarHBondContact O-N 3.33Å; K445-D448 PolarHBondContact O-N 3.43Å; M446-D448 PolarHBondContact O-N 3.38Å; D448-R454 IonicContact OD1-CZ 3.32Å; D448-R454 IonicContact OD1-NH1 3.79Å; D448-R454 PolarHBondContact OD1-NH1 3.21Å; D448-R454 IonicContact OD1-NH2 2.74Å; D448-R454 IonicContact OD2-CZ 3.45Å; D448-R454 VanDerWaalsContact OD2-CZ 3.25Å; D448-R454 IonicContact OD2-NH1 2.67Å; D448-R454 PolarHBondContact OD2-NH1 3.34Å; D448-R454 IonicContact OD2-NH2 2.65Å; D448-R454 PolarHBondContact OD2-NH2 2.75Å; D448-A630 HydrophobicContact CB-CB 4.16Å; D448-A630 WeakPolarHBondContact O-CB 3.48Å
449	I	98.3	Very high	97.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.173	C	C	.	.			trans	-110.8	5.4	-177.3	56.1	-178.1	0	0	0	114.6	T444 C447 S456 L457 Y462 M585 F588 I589 A592 F593	T444-I449 HydrophobicContact CG2-CD1 4.17Å; T444-I449 HydrophobicContact CG2-CG1 4.14Å; T444-I449 WeakPolarHBondContact O-CG1 3.49Å; T444-I449 PolarHBondContact O-N 3.29Å; C447-I449 VanDerWaalsContact C-N 3.3Å; C447-I449 HydrophobicContact CB-CD1 3.95Å; C447-I449 HydrophobicContact CB-CG1 3.97Å; C447-I449 PolarHBondContact O-N 3.14Å; I449-S456 WeakPolarHBondContact O-CB 3.39Å; I449-S456 PolarHBondContact O-OG 2.97Å; I449-L457 PolarHBondContact O-N 3.47Å; I449-Y462 WeakPolarHBondContact O-CE2 3.05Å; I449-Y462 PolarHBondContact O-OH 3.44Å; I449-M585 HydrophobicContact CG2-SD 4.29Å; I449-F588 HydrophobicContact CG2-CD1 3.57Å; I449-F588 HydrophobicContact CG2-CE1 3.7Å; I449-I589 HydrophobicContact CB-CG1 4Å; I449-I589 HydrophobicContact CD1-CG1 4.21Å; I449-I589 HydrophobicContact CD1-CG2 4.46Å; I449-I589 HydrophobicContact CG2-CG1 3.82Å; I449-A592 HydrophobicContact CD1-CB 4.17Å; I449-F593 HydrophobicContact CD1-CE2 4.5Å
450	G	96.7	Very high	97.3	Very high	25 Å²	25	32.2 Å²	32.2	26%	0.258	18%	0.18	S	C	.	.			trans	-95.9	13	-175.2	0	0	0	0	0	117.2	T444 L457	T444-G450 PolarHBondContact O-N 3.02Å; G450-L457 CarbonylContact C-O 3.56Å; G450-L457 WeakPolarHBondContact CA-O 3.26Å
451	D	96	Very high	97.3	Very high	41 Å²	41	32.1 Å²	32.1	22%	0.219	18%	0.18	C	C	.	.			trans	-119.6	102.9	-179.2	-175.4	-4.6	0	0	0	112.5	S453 R454 S456 L457 K641	D451-S453 VanDerWaalsContact C-N 3.28Å; D451-S453 VanDerWaalsContact CG-OG 3.32Å; D451-S453 PolarHBondContact O-N 2.89Å; D451-S453 WeakPolarHBondContact OD1-CA 3.35Å; D451-S453 WeakPolarHBondContact OD1-CB 3.39Å; D451-S453 PolarHBondContact OD1-N 3.16Å; D451-S453 PolarHBondContact OD1-OG 3.47Å; D451-S453 PolarHBondContact OD2-OG 3.24Å; D451-R454 HydrophobicContact CB-CB 4.23Å; D451-R454 HydrophobicContact CB-CG 4.28Å; D451-R454 PolarHBondContact O-N 3.27Å; D451-R454 VanDerWaalsContact O-N 3.07Å; D451-R454 PolarHBondContact OD1-N 2.86Å; D451-R454 WeakPolarHBondContact OD2-CD 3.45Å; D451-R454 WeakPolarHBondContact OD2-CG 3.31Å; D451-S456 PolarHBondContact N-OG 3.24Å; D451-S456 PolarHBondContact O-N 2.65Å; D451-S456 PolarHBondContact O-OG 3.22Å; D451-L457 CarbonylContact C-O 3.51Å; D451-L457 PolarHBondContact N-O 2.71Å; D451-K641 IonicContact OD1-NZ 3.87Å; D451-K641 IonicContact OD2-NZ 2.79Å; D451-K641 PolarHBondContact OD2-NZ 2.56Å
452	A	95.3	Very high	97.3	Very high	45 Å²	45	31.5 Å²	31.5	37%	0.372	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-63.2	-29.8	176	0	0	0	0	0	113.5	R454 G455 S456 L457 I642	A452-R454 PolarHBondContact O-N 3.48Å; A452-G455 PolarHBondContact O-N 2.71Å; A452-S456 WeakPolarHBondContact CA-O 3.45Å; A452-L457 PolarHBondContact N-O 3.23Å; A452-I642 WeakPolarHBondContact O-CD1 3.3Å
453	S	92.8	Very high	97.3	Very high	49 Å²	49	31.3 Å²	31.3	34%	0.343	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-72.4	-6	175.7	72.8	0	0	0	0	113.2	D451 K641 I642	D451-S453 VanDerWaalsContact C-N 3.28Å; D451-S453 VanDerWaalsContact CG-OG 3.32Å; D451-S453 PolarHBondContact O-N 2.89Å; D451-S453 WeakPolarHBondContact OD1-CA 3.35Å; D451-S453 WeakPolarHBondContact OD1-CB 3.39Å; D451-S453 PolarHBondContact OD1-N 3.16Å; D451-S453 PolarHBondContact OD1-OG 3.47Å; D451-S453 PolarHBondContact OD2-OG 3.24Å; S453-K641 CarbonylContact O-C 3.58Å; S453-K641 VanDerWaalsContact O-CA 3.3Å; S453-K641 WeakPolarHBondContact O-CA 3.46Å; S453-K641 WeakPolarHBondContact OG-CD 3.33Å; S453-K641 PolarHBondContact OG-NZ 3.26Å; S453-I642 PolarHBondContact O-N 3.3Å
454	R	95.2	Very high	97.3	Very high	66 Å²	66	31.3 Å²	31.3	25%	0.249	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-107.8	10.2	168.4	-65.7	178.4	58.5	-149.3	-12.3	113.2	D448 D451 A452 C635 G640 K641	D448-R454 IonicContact OD1-CZ 3.32Å; D448-R454 IonicContact OD1-NH1 3.79Å; D448-R454 PolarHBondContact OD1-NH1 3.21Å; D448-R454 IonicContact OD1-NH2 2.74Å; D448-R454 IonicContact OD2-CZ 3.45Å; D448-R454 VanDerWaalsContact OD2-CZ 3.25Å; D448-R454 IonicContact OD2-NH1 2.67Å; D448-R454 PolarHBondContact OD2-NH1 3.34Å; D448-R454 IonicContact OD2-NH2 2.65Å; D448-R454 PolarHBondContact OD2-NH2 2.75Å; D451-R454 HydrophobicContact CB-CB 4.23Å; D451-R454 HydrophobicContact CB-CG 4.28Å; D451-R454 PolarHBondContact O-N 3.27Å; D451-R454 VanDerWaalsContact O-N 3.07Å; D451-R454 PolarHBondContact OD1-N 2.86Å; D451-R454 WeakPolarHBondContact OD2-CD 3.45Å; D451-R454 WeakPolarHBondContact OD2-CG 3.31Å; A452-R454 PolarHBondContact O-N 3.48Å; R454-C635 PolarHBondContact O-SG 2.78Å; R454-C635 VanDerWaalsContact O-SG 3.4Å; R454-G640 WeakPolarHBondContact CG-O 3.16Å; R454-K641 HydrophobicContact CG-CD 3.84Å
455	G	94.2	Very high	97.3	Very high	7 Å²	7	31.4 Å²	31.4	7%	0.072	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	11.2	176.7	0	0	0	0	0	115.6	A452	A452-G455 PolarHBondContact O-N 2.71Å
456	S	97.4	Very high	97.4	Very high	6 Å²	6	24.6 Å²	24.6	4%	0.042	15%	0.147	C	C	.	.	S	Bend	trans	-93.2	-158.1	169.2	69.2	0	0	0	0	111.1	I449 D451 A452	I449-S456 WeakPolarHBondContact O-CB 3.39Å; I449-S456 PolarHBondContact O-OG 2.97Å; D451-S456 PolarHBondContact N-OG 3.24Å; D451-S456 PolarHBondContact O-N 2.65Å; D451-S456 PolarHBondContact O-OG 3.22Å; A452-S456 WeakPolarHBondContact CA-O 3.45Å
457	L	98.2	Very high	97.4	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.01	13%	0.127	C	C	.	.			trans	-91.3	160.3	176.1	-78.5	179.4	0	0	0	111.1	I449 G450 D451 A452 A461 Y462 M465 I565 I567 L581 I589	I449-L457 PolarHBondContact O-N 3.47Å; G450-L457 CarbonylContact C-O 3.56Å; G450-L457 WeakPolarHBondContact CA-O 3.26Å; D451-L457 CarbonylContact C-O 3.51Å; D451-L457 PolarHBondContact N-O 2.71Å; A452-L457 PolarHBondContact N-O 3.23Å; L457-A461 HydrophobicContact CB-CB 4.38Å; L457-A461 HydrophobicContact CD2-CB 4.19Å; L457-Y462 HydrophobicContact CB-CD2 4.06Å; L457-Y462 HydrophobicContact CB-CE2 3.47Å; L457-Y462 VanDerWaalsContact CB-CE2 3.47Å; L457-Y462 HydrophobicContact CD1-CD1 4.41Å; L457-Y462 HydrophobicContact CD1-CE1 3.84Å; L457-Y462 HydrophobicContact CD1-CE2 4.25Å; L457-Y462 HydrophobicContact CG-CE2 4.45Å; L457-M465 HydrophobicContact CD1-SD 4.4Å; L457-I565 HydrophobicContact CD1-CG2 4.29Å; L457-I567 HydrophobicContact CD1-CD1 4.13Å; L457-I567 HydrophobicContact CD2-CD1 4.48Å; L457-L581 HydrophobicContact CD1-CD1 4.48Å; L457-L581 HydrophobicContact CD2-CD1 3.97Å; L457-L581 HydrophobicContact CD2-CD2 4.3Å; L457-L581 HydrophobicContact CD2-CG 4.12Å; L457-L581 HydrophobicContact CG-CD1 4.07Å; L457-L581 HydrophobicContact CG-CD2 4.15Å; L457-L581 HydrophobicContact CG-CG 4.39Å; L457-I589 HydrophobicContact CG-CD1 4.38Å
458	S	97.5	Very high	97.4	Very high	33 Å²	33	20.7 Å²	20.7	23%	0.231	13%	0.127	C	C	.	.			trans	-79.8	151.3	169.1	65.1	0	0	0	0	110.7	Y460 A461 Y462	S458-Y460 PolarHBondContact O-N 2.97Å; S458-A461 WeakPolarHBondContact O-CB 3.39Å; S458-A461 PolarHBondContact O-N 2.83Å; S458-A461 PolarHBondContact OG-N 3.32Å; S458-Y462 WeakPolarHBondContact O-CD2 3.44Å; S458-Y462 PolarHBondContact O-N 3.03Å
459	S	97.1	Very high	97.5	Very high	47 Å²	47	17.9 Å²	17.9	33%	0.329	11%	0.112	S	C	.	.	H	α-helix	trans	-61.3	-22.9	173.1	71.6	0	0	0	0	113.2	T463	S459-T463 PolarHBondContact O-N 2.7Å; S459-T463 VanDerWaalsContact O-N 3.1Å; S459-T463 PolarHBondContact O-OG1 2.89Å
460	Y	98.5	Very high	97.5	Very high	40 Å²	40	17.9 Å²	17.9	16%	0.157	11%	0.112	C	C	.	.	H	α-helix	trans	-64.5	-48.4	168.5	173.1	-120.5	0	0	0	112.2	N419 L423 S458 Y462 T463 L464 D569 P570 L577	N419-Y460 HydrophobicContact CB-CE2 4.33Å; N419-Y460 WeakPolarHBondContact CB-OH 3.16Å; N419-Y460 PolarHBondContact ND2-OH 3.12Å; L423-Y460 HydrophobicContact CD1-CE2 4.16Å; L423-Y460 HydrophobicContact CD2-CD2 3.7Å; L423-Y460 HydrophobicContact CD2-CE2 3.7Å; S458-Y460 PolarHBondContact O-N 2.97Å; Y460-Y462 VanDerWaalsContact C-N 3.31Å; Y460-Y462 PolarHBondContact O-N 3.35Å; Y460-T463 WeakPolarHBondContact O-CA 3.38Å; Y460-T463 VanDerWaalsContact O-CB 3.26Å; Y460-T463 WeakPolarHBondContact O-CB 3.29Å; Y460-T463 PolarHBondContact O-N 3.33Å; Y460-L464 HydrophobicContact CE1-CD1 4.08Å; Y460-L464 HydrophobicContact CE2-CD1 4.43Å; Y460-L464 HydrophobicContact CE2-CD2 3.85Å; Y460-L464 HydrophobicContact CE2-CG 4.17Å; Y460-L464 PolarHBondContact O-N 3.14Å; Y460-D569 VanDerWaalsContact CE1-OD2 3.22Å; Y460-D569 WeakPolarHBondContact CE1-OD2 3.46Å; Y460-D569 VanDerWaalsContact CZ-OD2 3.31Å; Y460-D569 PolarHBondContact OH-OD2 3.38Å; Y460-P570 WeakPolarHBondContact OH-CD 3.36Å; Y460-L577 HydrophobicContact CD1-CD1 3.89Å; Y460-L577 HydrophobicContact CD1-CD2 4.24Å; Y460-L577 HydrophobicContact CE1-CD1 3.83Å; Y460-L577 HydrophobicContact CE1-CD2 4.37Å
461	A	98.8	Very high	97.6	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-58.1	-42.7	177.9	0	0	0	0	0	112.1	L457 S458 T463 L464 M465 I567 L577	L457-A461 HydrophobicContact CB-CB 4.38Å; L457-A461 HydrophobicContact CD2-CB 4.19Å; S458-A461 WeakPolarHBondContact O-CB 3.39Å; S458-A461 PolarHBondContact O-N 2.83Å; S458-A461 PolarHBondContact OG-N 3.32Å; A461-T463 VanDerWaalsContact C-N 3.3Å; A461-T463 PolarHBondContact O-N 2.97Å; A461-L464 WeakPolarHBondContact O-CB 3.5Å; A461-L464 PolarHBondContact O-N 3.22Å; A461-M465 WeakPolarHBondContact O-CG 3.45Å; A461-M465 PolarHBondContact O-N 3.32Å; A461-I567 HydrophobicContact CB-CD1 4Å; A461-L577 HydrophobicContact CB-CB 4Å; A461-L577 HydrophobicContact CB-CD1 3.91Å
462	Y	98.9	Very high	97.8	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.008	10%	0.099	C	C	.	.	H	α-helix	trans	-65.7	-29.9	173.1	-71.8	-64.7	0	0	0	113.8	M440 T444 I449 L457 S458 Y460 M465 V466 F593	M440-Y462 HydrophobicContact CG-CG 4.5Å; M440-Y462 HydrophobicContact SD-CD1 3.97Å; M440-Y462 HydrophobicContact SD-CG 4.34Å; T444-Y462 HydrophobicContact CG2-CD1 3.68Å; T444-Y462 HydrophobicContact CG2-CD2 3.67Å; T444-Y462 HydrophobicContact CG2-CE1 3.65Å; T444-Y462 HydrophobicContact CG2-CE2 3.62Å; T444-Y462 HydrophobicContact CG2-CG 3.69Å; I449-Y462 WeakPolarHBondContact O-CE2 3.05Å; I449-Y462 PolarHBondContact O-OH 3.44Å; L457-Y462 HydrophobicContact CB-CD2 4.06Å; L457-Y462 HydrophobicContact CB-CE2 3.47Å; L457-Y462 VanDerWaalsContact CB-CE2 3.47Å; L457-Y462 HydrophobicContact CD1-CD1 4.41Å; L457-Y462 HydrophobicContact CD1-CE1 3.84Å; L457-Y462 HydrophobicContact CD1-CE2 4.25Å; L457-Y462 HydrophobicContact CG-CE2 4.45Å; S458-Y462 WeakPolarHBondContact O-CD2 3.44Å; S458-Y462 PolarHBondContact O-N 3.03Å; Y460-Y462 VanDerWaalsContact C-N 3.31Å; Y460-Y462 PolarHBondContact O-N 3.35Å; Y462-M465 HydrophobicContact CD1-SD 3.69Å; Y462-M465 HydrophobicContact CE1-SD 4.07Å; Y462-M465 WeakPolarHBondContact O-CB 3.49Å; Y462-M465 PolarHBondContact O-N 2.88Å; Y462-V466 WeakPolarHBondContact O-CG2 3.34Å; Y462-V466 PolarHBondContact O-N 3Å; Y462-V466 VanDerWaalsContact O-N 3.11Å; Y462-F593 HydrophobicContact CD1-CZ 4.35Å; Y462-F593 AromaticContact CE1-CE2 3.96Å; Y462-F593 HydrophobicContact CE1-CE2 3.96Å; Y462-F593 HydrophobicContact CE1-CZ 4.09Å
463	T	98.9	Very high	97.9	Very high	4 Å²	4	17.5 Å²	17.5	3%	0.025	9%	0.092	C	C	.	.	H	α-helix	trans	-66	-42.2	172.4	-53.4	0	0	0	0	110.3	F341 L423 S459 Y460 A461 M465 V466 L467	F341-T463 HydrophobicContact CD2-CG2 3.71Å; F341-T463 HydrophobicContact CE2-CG2 3.7Å; L423-T463 HydrophobicContact CD2-CG2 3.73Å; L423-T463 HydrophobicContact CG-CG2 4.18Å; S459-T463 PolarHBondContact O-N 2.7Å; S459-T463 VanDerWaalsContact O-N 3.1Å; S459-T463 PolarHBondContact O-OG1 2.89Å; Y460-T463 WeakPolarHBondContact O-CA 3.38Å; Y460-T463 VanDerWaalsContact O-CB 3.26Å; Y460-T463 WeakPolarHBondContact O-CB 3.29Å; Y460-T463 PolarHBondContact O-N 3.33Å; A461-T463 VanDerWaalsContact C-N 3.3Å; A461-T463 PolarHBondContact O-N 2.97Å; T463-M465 VanDerWaalsContact C-N 3.32Å; T463-M465 PolarHBondContact O-N 3.34Å; T463-V466 PolarHBondContact O-N 3.37Å; T463-L467 HydrophobicContact CG2-CD1 4.45Å; T463-L467 WeakPolarHBondContact O-CG 3.34Å; T463-L467 PolarHBondContact O-N 3.48Å
464	L	98.9	Very high	98.1	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-62.8	-36.1	173.6	-57.6	-172.6	0	0	0	112.3	L423 Y460 A461 L467 Y468 I547 I567 L577	L423-L464 HydrophobicContact CD1-CD2 4.05Å; Y460-L464 HydrophobicContact CE1-CD1 4.08Å; Y460-L464 HydrophobicContact CE2-CD1 4.43Å; Y460-L464 HydrophobicContact CE2-CD2 3.85Å; Y460-L464 HydrophobicContact CE2-CG 4.17Å; Y460-L464 PolarHBondContact O-N 3.14Å; A461-L464 WeakPolarHBondContact O-CB 3.5Å; A461-L464 PolarHBondContact O-N 3.22Å; L464-L467 PolarHBondContact O-N 2.92Å; L464-Y468 WeakPolarHBondContact O-CB 3.22Å; L464-Y468 PolarHBondContact O-N 3.08Å; L464-I547 HydrophobicContact CB-CG2 4.32Å; L464-I547 HydrophobicContact CD2-CD1 3.62Å; L464-I547 HydrophobicContact CD2-CG1 4.13Å; L464-I547 WeakPolarHBondContact O-CG2 3.46Å; L464-I567 HydrophobicContact CB-CG2 4.21Å; L464-I567 HydrophobicContact CD1-CG2 4.08Å; L464-L577 HydrophobicContact CD1-CD1 3.59Å
465	M	98.9	Very high	98.3	Very high	4 Å²	4	20.9 Å²	20.9	2%	0.02	11%	0.113	C	C	.	.	H	α-helix	trans	-62	-43	173.5	-65.6	179.5	67.9	0	0	112.3	L457 A461 Y462 T463 Y468 F469 Y534 F540 I545 I567 F593	L457-M465 HydrophobicContact CD1-SD 4.4Å; A461-M465 WeakPolarHBondContact O-CG 3.45Å; A461-M465 PolarHBondContact O-N 3.32Å; Y462-M465 HydrophobicContact CD1-SD 3.69Å; Y462-M465 HydrophobicContact CE1-SD 4.07Å; Y462-M465 WeakPolarHBondContact O-CB 3.49Å; Y462-M465 PolarHBondContact O-N 2.88Å; T463-M465 VanDerWaalsContact C-N 3.32Å; T463-M465 PolarHBondContact O-N 3.34Å; M465-Y468 PolarHBondContact O-N 3.01Å; M465-F469 PolarHBondContact O-N 3.3Å; M465-F469 VanDerWaalsContact O-N 3.09Å; M465-Y534 WeakPolarHBondContact CA-OH 3.34Å; M465-Y534 HydrophobicContact CB-CE2 3.89Å; M465-Y534 HydrophobicContact CE-CD1 4.03Å; M465-Y534 HydrophobicContact CE-CD2 3.94Å; M465-Y534 HydrophobicContact CE-CE1 3.99Å; M465-Y534 HydrophobicContact CE-CE2 3.88Å; M465-Y534 HydrophobicContact CE-CG 4.01Å; M465-Y534 PolarHBondContact O-OH 2.61Å; M465-F540 HydrophobicContact CE-CE1 4.43Å; M465-F540 HydrophobicContact CE-CZ 4.32Å; M465-I545 HydrophobicContact CE-CD1 4.19Å; M465-I545 HydrophobicContact CG-CD1 3.99Å; M465-I545 HydrophobicContact CG-CG2 4.4Å; M465-I567 HydrophobicContact CG-CD1 3.91Å; M465-I567 HydrophobicContact SD-CD1 3.98Å; M465-F593 HydrophobicContact CE-CZ 4.36Å
466	V	98.9	Very high	98.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-62.5	-46.7	175.3	175.9	0	0	0	0	110.9	L436 M440 Y462 T463 Y468 F469 L470 L530	L436-V466 HydrophobicContact CB-CG1 3.77Å; M440-V466 HydrophobicContact CB-CG2 3.6Å; M440-V466 HydrophobicContact CE-CG2 4.04Å; M440-V466 HydrophobicContact CG-CG2 3.73Å; Y462-V466 WeakPolarHBondContact O-CG2 3.34Å; Y462-V466 PolarHBondContact O-N 3Å; Y462-V466 VanDerWaalsContact O-N 3.11Å; T463-V466 PolarHBondContact O-N 3.37Å; V466-Y468 PolarHBondContact O-N 3.24Å; V466-F469 PolarHBondContact O-N 2.76Å; V466-L470 HydrophobicContact CG1-CD1 3.93Å; V466-L470 VanDerWaalsContact O-CG 3.3Å; V466-L470 WeakPolarHBondContact O-CG 3.25Å; V466-L470 PolarHBondContact O-N 3.38Å; V466-L470 VanDerWaalsContact O-N 3.12Å; V466-L530 HydrophobicContact CB-CD1 4.21Å; V466-L530 HydrophobicContact CG1-CD1 4.33Å; V466-L530 HydrophobicContact CG2-CD1 3.79Å
467	L	98.9	Very high	98.5	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-62.6	-43.6	179.4	-65.3	174.4	0	0	0	111.8	L423 Y426 V433 T463 L464 F469 L470 Q471 I478 I547	L423-L467 HydrophobicContact CD1-CD1 4Å; L423-L467 HydrophobicContact CG-CD1 4.07Å; Y426-L467 HydrophobicContact CD1-CD2 4.47Å; Y426-L467 HydrophobicContact CD2-CD1 3.82Å; Y426-L467 HydrophobicContact CD2-CD2 4.28Å; Y426-L467 HydrophobicContact CE2-CD1 4.38Å; Y426-L467 HydrophobicContact CG-CD1 4.32Å; Y426-L467 HydrophobicContact CG-CD2 3.95Å; V433-L467 HydrophobicContact CG1-CD2 3.77Å; T463-L467 HydrophobicContact CG2-CD1 4.45Å; T463-L467 WeakPolarHBondContact O-CG 3.34Å; T463-L467 PolarHBondContact O-N 3.48Å; L464-L467 PolarHBondContact O-N 2.92Å; L467-F469 PolarHBondContact O-N 3.32Å; L467-L470 PolarHBondContact O-N 3.41Å; L467-L470 VanDerWaalsContact O-N 3.14Å; L467-Q471 WeakPolarHBondContact O-CG 3.44Å; L467-Q471 PolarHBondContact O-N 2.92Å; L467-I478 HydrophobicContact CB-CD1 4.16Å; L467-I478 HydrophobicContact CD2-CD1 3.5Å; L467-I478 HydrophobicContact CG-CD1 4.44Å; L467-I547 HydrophobicContact CB-CG2 4.01Å; L467-I547 HydrophobicContact CD1-CD1 4.09Å
468	Y	98.9	Very high	98.6	Very high	4 Å²	4	20.4 Å²	20.4	2%	0.016	11%	0.109	C	C	.	.	H	α-helix	trans	-60.4	-46.3	177.5	-177.8	-98.5	0	0	0	112.3	L464 M465 V466 L470 Q471 Q472 F533 Y534 F538 I545 S546 L552	L464-Y468 WeakPolarHBondContact O-CB 3.22Å; L464-Y468 PolarHBondContact O-N 3.08Å; M465-Y468 PolarHBondContact O-N 3.01Å; V466-Y468 PolarHBondContact O-N 3.24Å; Y468-L470 VanDerWaalsContact C-N 3.28Å; Y468-L470 PolarHBondContact O-N 2.72Å; Y468-Q471 PolarHBondContact O-N 2.86Å; Y468-Q472 HydrophobicContact CD1-CG 4.22Å; Y468-Q472 HydrophobicContact CD2-CG 4.31Å; Y468-Q472 HydrophobicContact CE1-CG 3.83Å; Y468-Q472 HydrophobicContact CE2-CG 3.94Å; Y468-Q472 HydrophobicContact CG-CG 4.45Å; Y468-Q472 WeakPolarHBondContact O-CG 3.34Å; Y468-Q472 PolarHBondContact O-N 3.44Å; Y468-F533 HydrophobicContact CD1-CE1 4.08Å; Y468-F533 HydrophobicContact CD1-CZ 4.32Å; Y468-F533 HydrophobicContact CE1-CE1 4.07Å; Y468-F533 AromaticContact CE1-CZ 3.95Å; Y468-F533 HydrophobicContact CE1-CZ 3.95Å; Y468-Y534 WeakPolarHBondContact CD1-OH 3.34Å; Y468-F538 AromaticContact CE1-CD2 3.94Å; Y468-F538 HydrophobicContact CE1-CD2 3.94Å; Y468-F538 AromaticContact CE1-CE2 3.57Å; Y468-F538 HydrophobicContact CE1-CE2 3.57Å; Y468-F538 HydrophobicContact CE1-CZ 4.31Å; Y468-F538 AromaticContact CZ-CE2 3.93Å; Y468-I545 HydrophobicContact CD1-CG1 4.46Å; Y468-I545 HydrophobicContact CD1-CG2 4.08Å; Y468-I545 HydrophobicContact CD2-CG2 4.26Å; Y468-I545 HydrophobicContact CG-CG2 3.75Å; Y468-S546 WeakPolarHBondContact CD2-O 3.35Å; Y468-L552 VanDerWaalsContact OH-CD2 3.28Å; Y468-L552 WeakPolarHBondContact OH-CD2 3.29Å
469	F	98.9	Very high	98.6	Very high	1 Å²	1	19.3 Å²	19.3	0%	0.004	10%	0.101	C	C	.	.	H	α-helix	trans	-55.7	-43.3	173.5	163.5	-103	0	0	0	111.8	M465 V466 L467 Q471 Q472 R473 L526 G529 L530 F533 Y534	M465-F469 PolarHBondContact O-N 3.3Å; M465-F469 VanDerWaalsContact O-N 3.09Å; V466-F469 PolarHBondContact O-N 2.76Å; L467-F469 PolarHBondContact O-N 3.32Å; F469-Q471 VanDerWaalsContact C-N 3.33Å; F469-Q471 PolarHBondContact O-N 3.11Å; F469-Q472 PolarHBondContact O-N 3.25Å; F469-R473 PolarHBondContact O-N 2.68Å; F469-L526 HydrophobicContact CE1-CB 4.32Å; F469-L526 HydrophobicContact CE1-CD2 4.19Å; F469-L526 VanDerWaalsContact CE1-O 3.28Å; F469-L526 WeakPolarHBondContact CE1-O 3.5Å; F469-L526 HydrophobicContact CZ-CD2 4.32Å; F469-L526 WeakPolarHBondContact CZ-O 3.4Å; F469-G529 VanDerWaalsContact CE2-C 3.46Å; F469-L530 HydrophobicContact CB-CD1 4.21Å; F469-L530 HydrophobicContact CB-CG 4.26Å; F469-L530 HydrophobicContact CD1-CB 3.77Å; F469-L530 HydrophobicContact CD1-CD1 3.83Å; F469-L530 HydrophobicContact CD1-CG 4.01Å; F469-L530 HydrophobicContact CD2-CB 4.25Å; F469-L530 HydrophobicContact CE1-CB 3.79Å; F469-L530 HydrophobicContact CE2-CB 4.26Å; F469-L530 HydrophobicContact CG-CB 4Å; F469-L530 HydrophobicContact CG-CD1 4.14Å; F469-L530 HydrophobicContact CG-CG 4Å; F469-L530 HydrophobicContact CZ-CB 4.04Å; F469-L530 VanDerWaalsContact CZ-N 3.33Å; F469-F533 HydrophobicContact CB-CD1 4.31Å; F469-F533 HydrophobicContact CD2-CB 3.68Å; F469-F533 AromaticContact CD2-CD1 3.93Å; F469-F533 HydrophobicContact CD2-CD1 3.93Å; F469-F533 HydrophobicContact CD2-CD2 4.27Å; F469-F533 AromaticContact CD2-CG 3.71Å; F469-F533 HydrophobicContact CD2-CG 3.71Å; F469-F533 HydrophobicContact CE2-CB 3.91Å; F469-F533 HydrophobicContact CE2-CG 4.32Å; F469-Y534 HydrophobicContact CB-CE2 4.32Å
470	L	98.9	Very high	98.7	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-71.3	-23.3	-179.2	-66.6	173.8	0	0	0	114.1	V433 L436 V466 L467 Y468 V477 I478 L526	V433-L470 HydrophobicContact CG2-CD1 4.19Å; L436-L470 HydrophobicContact CD1-CD1 4.11Å; L436-L470 HydrophobicContact CD1-CD2 3.7Å; L436-L470 HydrophobicContact CD1-CG 4.38Å; V466-L470 HydrophobicContact CG1-CD1 3.93Å; V466-L470 VanDerWaalsContact O-CG 3.3Å; V466-L470 WeakPolarHBondContact O-CG 3.25Å; V466-L470 PolarHBondContact O-N 3.38Å; V466-L470 VanDerWaalsContact O-N 3.12Å; L467-L470 PolarHBondContact O-N 3.41Å; L467-L470 VanDerWaalsContact O-N 3.14Å; Y468-L470 VanDerWaalsContact C-N 3.28Å; Y468-L470 PolarHBondContact O-N 2.72Å; L470-V477 HydrophobicContact CB-CB 4.14Å; L470-V477 HydrophobicContact CD2-CB 3.77Å; L470-V477 HydrophobicContact CD2-CG1 4Å; L470-V477 HydrophobicContact CD2-CG2 3.84Å; L470-V477 HydrophobicContact CG-CB 4.47Å; L470-V477 PolarHBondContact O-N 2.98Å; L470-I478 HydrophobicContact CB-CD1 3.82Å; L470-I478 HydrophobicContact CB-CG1 3.79Å; L470-I478 HydrophobicContact CD1-CD1 4.46Å; L470-I478 PolarHBondContact O-N 3.31Å; L470-L526 HydrophobicContact CD2-CD1 4.31Å; L470-L526 HydrophobicContact CD2-CD2 4.33Å
471	Q	98.9	Very high	98.7	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-82.6	-32.8	173.1	-70	172.2	-30.2	0	0	113.4	Y426 L467 Y468 F469 I478 P479 V480 I547 K550	Y426-Q471 PolarHBondContact OH-NE2 3.26Å; Y426-Q471 VanDerWaalsContact OH-NE2 3.08Å; L467-Q471 WeakPolarHBondContact O-CG 3.44Å; L467-Q471 PolarHBondContact O-N 2.92Å; Y468-Q471 PolarHBondContact O-N 2.86Å; F469-Q471 VanDerWaalsContact C-N 3.33Å; F469-Q471 PolarHBondContact O-N 3.11Å; Q471-I478 HydrophobicContact CG-CD1 4.14Å; Q471-I478 HydrophobicContact CG-CG1 3.71Å; Q471-P479 WeakPolarHBondContact CG-O 3.43Å; Q471-P479 PolarHBondContact NE2-O 3.37Å; Q471-P479 VanDerWaalsContact NE2-O 3.07Å; Q471-V480 HydrophobicContact CG-CG2 4.28Å; Q471-I547 PolarHBondContact NE2-O 3.36Å; Q471-I547 VanDerWaalsContact OE1-CA 3.25Å; Q471-I547 PolarHBondContact OE1-O 2.95Å; Q471-K550 PolarHBondContact O-NZ 2.86Å
472	Q	98.7	Very high	98.7	Very high	42 Å²	42	15.8 Å²	15.8	20%	0.196	8%	0.082	C	C	.	.	H	α-helix	trans	-89.6	-10.7	179	-61.2	-58	-18	0	0	113.2	Y468 F469 F533 K550	Y468-Q472 HydrophobicContact CD1-CG 4.22Å; Y468-Q472 HydrophobicContact CD2-CG 4.31Å; Y468-Q472 HydrophobicContact CE1-CG 3.83Å; Y468-Q472 HydrophobicContact CE2-CG 3.94Å; Y468-Q472 HydrophobicContact CG-CG 4.45Å; Y468-Q472 WeakPolarHBondContact O-CG 3.34Å; Y468-Q472 PolarHBondContact O-N 3.44Å; F469-Q472 PolarHBondContact O-N 3.25Å; Q472-F533 HydrophobicContact CB-CZ 4.42Å; Q472-K550 PolarHBondContact NE2-O 3.35Å
473	R	98.4	Very high	98.7	Very high	59 Å²	59	19.8 Å²	19.8	22%	0.223	10%	0.1	C	C	.	.	S	Bend	trans	-55.9	148.7	171.3	-157.4	69.9	-171.7	146.6	-0.5	111	F469 P475 P476 E521 L526	F469-R473 PolarHBondContact O-N 2.68Å; R473-P475 CarbonylContact C-O 3Å; R473-P475 CarbonylContact O-C 3.6Å; R473-P476 WeakPolarHBondContact O-CA 2.88Å; R473-E521 WeakPolarHBondContact CG-OE1 3.47Å; R473-E521 IonicContact CZ-OE1 2.8Å; R473-E521 IonicContact CZ-OE2 2.68Å; R473-E521 IonicContact NE-OE1 3.24Å; R473-E521 PolarHBondContact NE-OE1 2.81Å; R473-E521 IonicContact NE-OE2 3.86Å; R473-E521 PolarHBondContact NE-OE2 3.08Å; R473-E521 IonicContact NH2-OE1 3.21Å; R473-E521 IonicContact NH2-OE2 2.99Å; R473-E521 PolarHBondContact NH2-OE2 3.31Å; R473-L526 HydrophobicContact CG-CD2 4.25Å
474	N	97.4	Very high	98.6	Very high	144 Å²	144	20.5 Å²	20.5	77%	0.77	10%	0.104	S	C	*	.	S	Bend	trans	-123.2	111.6	178	-176.1	16.7	0	0	0	110.6
475	P	98.3	Very high	98.5	Very high	42 Å²	42	23.9 Å²	23.9	27%	0.273	12%	0.117	S	C	.	.	S	Bend	cis	-66.1	158.1	-10.1	28.8	-35.1	0	0	0	112.1	R473 K518 N519	R473-P475 CarbonylContact C-O 3Å; R473-P475 CarbonylContact O-C 3.6Å; P475-K518 HydrophobicContact CB-CB 4.05Å; P475-K518 HydrophobicContact CG-CB 4.29Å; P475-N519 HydrophobicContact CG-CB 3.95Å; P475-N519 PolarHBondContact O-ND2 2.89Å
476	P	98.6	Very high	98.1	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.019	14%	0.137	C	C	.	.			trans	-68.5	148.6	-179.2	24	-31.2	0	0	0	112.6	R473 W513 E515 N519	R473-P476 WeakPolarHBondContact O-CA 2.88Å; P476-W513 HydrophobicContact CB-CZ2 4.3Å; P476-W513 HydrophobicContact CG-CZ2 4.11Å; P476-E515 WeakPolarHBondContact CD-OE1 3.22Å; P476-E515 HydrophobicContact CG-CB 4.23Å; P476-E515 VanDerWaalsContact CG-OE2 3.29Å; P476-E515 WeakPolarHBondContact CG-OE2 3.41Å; P476-N519 WeakPolarHBondContact O-CB 3.42Å
477	V	98.8	Very high	97.6	Very high	3 Å²	3	31.4 Å²	31.4	2%	0.018	17%	0.167	C	C	.	.	S	Bend	trans	-91.7	-28.7	175.5	177.3	0	0	0	0	111.2	L470 W513 N519 L526	L470-V477 HydrophobicContact CB-CB 4.14Å; L470-V477 HydrophobicContact CD2-CB 3.77Å; L470-V477 HydrophobicContact CD2-CG1 4Å; L470-V477 HydrophobicContact CD2-CG2 3.84Å; L470-V477 HydrophobicContact CG-CB 4.47Å; L470-V477 PolarHBondContact O-N 2.98Å; V477-W513 WeakPolarHBondContact O-CH2 3.16Å; V477-N519 HydrophobicContact CG2-CB 3.8Å; V477-L526 HydrophobicContact CG2-CD1 3.99Å; V477-L526 HydrophobicContact CG2-CD2 3.91Å
478	I	98.9	Very high	97.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.209	C	C	.	.	S	Bend	trans	-138	153.1	174	63.6	-175	0	0	0	110.5	Y426 I429 V433 L467 L470 Q471	Y426-I478 HydrophobicContact CD1-CB 4.35Å; Y426-I478 HydrophobicContact CD1-CD1 3.82Å; Y426-I478 HydrophobicContact CD1-CG1 4.43Å; Y426-I478 HydrophobicContact CE1-CD1 4.13Å; Y426-I478 HydrophobicContact CE1-CG1 4.48Å; Y426-I478 HydrophobicContact CG-CD1 4.48Å; I429-I478 HydrophobicContact CB-CG2 4.42Å; I429-I478 HydrophobicContact CD1-CB 4.41Å; I429-I478 HydrophobicContact CD1-CG2 4.36Å; I429-I478 HydrophobicContact CG2-CG2 4.3Å; V433-I478 HydrophobicContact CG2-CG2 3.47Å; V433-I478 VanDerWaalsContact CG2-CG2 3.47Å; L467-I478 HydrophobicContact CB-CD1 4.16Å; L467-I478 HydrophobicContact CD2-CD1 3.5Å; L467-I478 HydrophobicContact CG-CD1 4.44Å; L470-I478 HydrophobicContact CB-CD1 3.82Å; L470-I478 HydrophobicContact CB-CG1 3.79Å; L470-I478 HydrophobicContact CD1-CD1 4.46Å; L470-I478 PolarHBondContact O-N 3.31Å; Q471-I478 HydrophobicContact CG-CD1 4.14Å; Q471-I478 HydrophobicContact CG-CG1 3.71Å
479	P	98.7	Very high	96.8	Very high	9 Å²	9	48.5 Å²	48.5	6%	0.058	25%	0.245	C	C	.	.			trans	-80.8	-174.7	175.1	34.9	-35.3	0	0	0	111.8	Y426 I429 Q471 L481 I484 L509 W513	Y426-P479 WeakPolarHBondContact CE1-O 3.46Å; I429-P479 HydrophobicContact CD1-CG 4.2Å; Q471-P479 WeakPolarHBondContact CG-O 3.43Å; Q471-P479 PolarHBondContact NE2-O 3.37Å; Q471-P479 VanDerWaalsContact NE2-O 3.07Å; P479-L481 HydrophobicContact CG-CD2 3.98Å; P479-I484 HydrophobicContact CB-CD1 3.65Å; P479-I484 HydrophobicContact CG-CD1 3.92Å; P479-L509 HydrophobicContact CG-CD1 4.17Å; P479-L509 HydrophobicContact CG-CD2 4.22Å; P479-W513 HydrophobicContact CB-CD2 3.76Å; P479-W513 HydrophobicContact CB-CE3 4.3Å; P479-W513 HydrophobicContact CB-CG 3.87Å; P479-W513 HydrophobicContact CB-CZ2 4.45Å; P479-W513 HydrophobicContact CG-CD2 3.97Å; P479-W513 HydrophobicContact CG-CE3 3.99Å; P479-W513 HydrophobicContact CG-CG 4.33Å; P479-W513 HydrophobicContact CG-CZ3 4.45Å
480	V	98.8	Very high	96.6	Very high	9 Å²	9	51.3 Å²	51.3	6%	0.055	26%	0.257	C	S	.	.			trans	-98.1	99.2	162.6	177.3	0	0	0	0	108.1	Q471 Q482 E483 I484 R548 K550	Q471-V480 HydrophobicContact CG-CG2 4.28Å; V480-Q482 HydrophobicContact CG1-CB 4.29Å; V480-Q482 PolarHBondContact O-N 2.86Å; V480-Q482 VanDerWaalsContact O-N 3.11Å; V480-E483 HydrophobicContact CB-CB 4.18Å; V480-E483 HydrophobicContact CB-CG 4.4Å; V480-E483 HydrophobicContact CG1-CB 3.91Å; V480-E483 HydrophobicContact CG1-CG 3.73Å; V480-E483 PolarHBondContact O-N 2.83Å; V480-I484 PolarHBondContact O-N 3.24Å; V480-R548 WeakPolarHBondContact CG1-O 3.24Å; V480-K550 HydrophobicContact CG2-CB 3.97Å
481	L	98.7	Very high	96.5	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-21.8	-178.5	-65.2	175.5	0	0	0	112.7	L422 A425 Y426 I429 P479 E483 F502 F503 I506 L509	L422-L481 HydrophobicContact CD1-CB 4.21Å; L422-L481 HydrophobicContact CD1-CD1 4.3Å; A425-L481 HydrophobicContact CB-CD1 3.96Å; Y426-L481 HydrophobicContact CD1-CD1 3.73Å; Y426-L481 HydrophobicContact CD1-CG 4.08Å; Y426-L481 HydrophobicContact CD2-CD1 4.27Å; Y426-L481 HydrophobicContact CE1-CB 4.25Å; Y426-L481 HydrophobicContact CE1-CD1 3.64Å; Y426-L481 HydrophobicContact CE1-CG 3.53Å; Y426-L481 HydrophobicContact CE2-CD1 4.21Å; Y426-L481 HydrophobicContact CG-CD1 4.04Å; Y426-L481 PolarHBondContact OH-N 2.79Å; I429-L481 HydrophobicContact CD1-CD1 4.29Å; I429-L481 HydrophobicContact CD1-CD2 4.15Å; I429-L481 HydrophobicContact CD1-CG 4.41Å; P479-L481 HydrophobicContact CG-CD2 3.98Å; L481-E483 VanDerWaalsContact C-N 3.29Å; L481-F502 HydrophobicContact CB-CB 4.2Å; L481-F502 HydrophobicContact CB-CD2 4.47Å; L481-F502 CarbonylContact O-C 3.48Å; L481-F502 WeakPolarHBondContact O-CA 3.28Å; L481-F503 HydrophobicContact CD2-CB 4.44Å; L481-F503 HydrophobicContact CD2-CD1 4.16Å; L481-F503 PolarHBondContact O-N 3.2Å; L481-I506 HydrophobicContact CD1-CD1 4.1Å; L481-I506 HydrophobicContact CD2-CD1 3.89Å; L481-L509 HydrophobicContact CD2-CD1 4.26Å
482	Q	98.6	Very high	96.4	Very high	5 Å²	5	60.3 Å²	60.3	2%	0.023	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-6.7	175.1	-71.5	176.7	-87	0	0	114	L422 V480 K490 F502 R548 P570 F571	L422-Q482 HydrophobicContact CD1-CG 4.48Å; V480-Q482 HydrophobicContact CG1-CB 4.29Å; V480-Q482 PolarHBondContact O-N 2.86Å; V480-Q482 VanDerWaalsContact O-N 3.11Å; Q482-K490 WeakPolarHBondContact O-CD 3.42Å; Q482-K490 PolarHBondContact O-NZ 2.92Å; Q482-F502 HydrophobicContact CG-CB 3.74Å; Q482-R548 HydrophobicContact CB-CB 4.31Å; Q482-R548 VanDerWaalsContact OE1-CA 3.31Å; Q482-P570 PolarHBondContact NE2-O 3.32Å; Q482-P570 VanDerWaalsContact OE1-CB 3.29Å; Q482-F571 HydrophobicContact CG-CE1 4.44Å; Q482-F571 VanDerWaalsContact NE2-CE1 3.28Å
483	E	97.8	Very high	96.3	Very high	85 Å²	85	62.4 Å²	62.4	40%	0.397	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-1	176.1	-71.4	179.4	146	0	0	112.9	V480 L481 Y485 R549 K550	V480-E483 HydrophobicContact CB-CB 4.18Å; V480-E483 HydrophobicContact CB-CG 4.4Å; V480-E483 HydrophobicContact CG1-CB 3.91Å; V480-E483 HydrophobicContact CG1-CG 3.73Å; V480-E483 PolarHBondContact O-N 2.83Å; L481-E483 VanDerWaalsContact C-N 3.29Å; E483-Y485 VanDerWaalsContact O-CE1 3.25Å; E483-Y485 WeakPolarHBondContact O-CE1 3.37Å; E483-R549 VanDerWaalsContact CD-CA 3.5Å; E483-R549 WeakPolarHBondContact OE1-CA 3.24Å; E483-R549 WeakPolarHBondContact OE2-CA 3.47Å; E483-K550 PolarHBondContact OE2-N 2.91Å
484	I	97.8	Very high	96.2	Very high	19 Å²	19	65.5 Å²	65.5	10%	0.097	33%	0.33	C	S	.	.			trans	-95.7	131.2	172.7	-66.4	178.3	0	0	0	109.5	P479 V480 Y501 F503 L509 Y512 W513	P479-I484 HydrophobicContact CB-CD1 3.65Å; P479-I484 HydrophobicContact CG-CD1 3.92Å; V480-I484 PolarHBondContact O-N 3.24Å; I484-Y501 WeakPolarHBondContact O-CE1 3.3Å; I484-Y501 PolarHBondContact O-OH 3.4Å; I484-F503 HydrophobicContact CB-CB 3.98Å; I484-F503 HydrophobicContact CB-CG 4.26Å; I484-F503 HydrophobicContact CG2-CB 3.91Å; I484-F503 HydrophobicContact CG2-CD1 4.12Å; I484-F503 HydrophobicContact CG2-CD2 3.68Å; I484-F503 HydrophobicContact CG2-CE2 4.17Å; I484-F503 HydrophobicContact CG2-CG 3.65Å; I484-L509 HydrophobicContact CD1-CD1 3.69Å; I484-Y512 HydrophobicContact CG2-CG 4.42Å; I484-W513 HydrophobicContact CD1-CB 4.08Å
485	Y	95.9	Very high	96.1	Very high	72 Å²	72	60.1 Å²	60.1	28%	0.282	30%	0.302	S	S	.	.			trans	-162.2	170.1	175.7	41.2	-90.3	0	0	0	111	E483 G487 K489 K490 Y501	E483-Y485 VanDerWaalsContact O-CE1 3.25Å; E483-Y485 WeakPolarHBondContact O-CE1 3.37Å; Y485-G487 WeakPolarHBondContact CD2-O 3.41Å; Y485-G487 WeakPolarHBondContact CE2-O 3.36Å; Y485-K489 WeakPolarHBondContact CD2-O 3.06Å; Y485-K490 HydrophobicContact CD1-CB 3.89Å; Y485-K490 HydrophobicContact CD1-CG 4.22Å; Y485-K490 HydrophobicContact CE1-CB 3.6Å; Y485-K490 HydrophobicContact CE1-CG 4.28Å; Y485-K490 VanDerWaalsContact CE2-N 3.34Å; Y485-Y501 HydrophobicContact CD1-CE1 4.46Å
486	K	90.8	Very high	95.8	Very high	99 Å²	99	62.4 Å²	62.4	43%	0.43	31%	0.312	S	S	.	.	S	Bend	trans	-95.7	120.4	176.5	-51.8	-174	-176.3	-174.9	0	108.6	Q505 E508 Y512	K486-Q505 VanDerWaalsContact CE-OE1 3.24Å; K486-E508 WeakPolarHBondContact CE-OE2 3.2Å; K486-E508 IonicContact NZ-OE1 2.97Å; K486-E508 PolarHBondContact NZ-OE1 3.5Å; K486-E508 IonicContact NZ-OE2 3.66Å; K486-E508 PolarHBondContact NZ-OE2 2.94Å; K486-Y512 HydrophobicContact CD-CE1 4.46Å; K486-Y512 WeakPolarHBondContact CD-OH 3.39Å; K486-Y512 WeakPolarHBondContact CE-OH 3.34Å; K486-Y512 HydrophobicContact CG-CE1 3.89Å
487	G	88.7	Confident	95.6	Very high	63 Å²	63	65.1 Å²	65.1	65%	0.649	34%	0.341	S	S	*	.	S	Bend	trans	98.3	-175.6	-176.3	0	0	0	0	0	114.3	Y485	Y485-G487 WeakPolarHBondContact CD2-O 3.41Å; Y485-G487 WeakPolarHBondContact CE2-O 3.36Å
488	E	88.4	Confident	95.6	Very high	186 Å²	186	67.6 Å²	67.6	87%	0.869	35%	0.35	S	S	*	.	S	Bend	trans	-81.1	-19	-169.4	-60.7	-178.4	164.7	0	0	115.3
489	K	92.7	Very high	95.6	Very high	176 Å²	176	69.2 Å²	69.2	77%	0.765	36%	0.358	S	S	*	.	S	Bend	trans	-125.1	137.9	-174.7	-66.9	-175.7	-179.5	179.9	0	111.1	Y485 P491	Y485-K489 WeakPolarHBondContact CD2-O 3.06Å; K489-P491 WeakPolarHBondContact O-CD 3.37Å
490	K	95.3	Very high	95.5	Very high	60 Å²	60	69.1 Å²	69.1	26%	0.261	36%	0.358	S	S	.	.			trans	-57.9	128.2	172.2	175.7	173.3	170.8	137.3	0	109.8	Q482 Y485 N499 Y501	Q482-K490 WeakPolarHBondContact O-CD 3.42Å; Q482-K490 PolarHBondContact O-NZ 2.92Å; Y485-K490 HydrophobicContact CD1-CB 3.89Å; Y485-K490 HydrophobicContact CD1-CG 4.22Å; Y485-K490 HydrophobicContact CE1-CB 3.6Å; Y485-K490 HydrophobicContact CE1-CG 4.28Å; Y485-K490 VanDerWaalsContact CE2-N 3.34Å; K490-N499 WeakPolarHBondContact CE-ND2 3.44Å; K490-Y501 HydrophobicContact CG-CD1 4.02Å; K490-Y501 PolarHBondContact NZ-O 2.97Å
491	P	96.9	Very high	95.5	Very high	45 Å²	45	70.4 Å²	70.4	29%	0.292	36%	0.362	S	S	.	.			trans	-60.1	145.5	171.7	-25	34.5	0	0	0	112.6	K489 N499 Y501	K489-P491 WeakPolarHBondContact O-CD 3.37Å; P491-N499 PolarHBondContact O-ND2 2.82Å; P491-N499 PolarHBondContact O-OD1 3.35Å; P491-Y501 HydrophobicContact CB-CD1 4.38Å; P491-Y501 HydrophobicContact CB-CD2 3.72Å; P491-Y501 HydrophobicContact CB-CE2 4.02Å; P491-Y501 HydrophobicContact CB-CG 3.92Å; P491-Y501 HydrophobicContact CG-CD1 4.33Å; P491-Y501 HydrophobicContact CG-CD2 4.02Å; P491-Y501 HydrophobicContact CG-CE1 4.14Å; P491-Y501 HydrophobicContact CG-CE2 3.79Å; P491-Y501 HydrophobicContact CG-CG 4.28Å; P491-Y501 WeakPolarHBondContact O-CB 3.12Å
492	E	95.9	Very high	95.5	Very high	145 Å²	145	70.8 Å²	70.8	68%	0.678	36%	0.363	S	S	*	.			trans	-114.2	106.2	-177.8	-60.9	-167.8	145.7	0	0	110.1	F494	E492-F494 HydrophobicContact CB-CD2 4.4Å; E492-F494 HydrophobicContact CB-CE2 3.79Å; E492-F494 HydrophobicContact CB-CZ 4.48Å
493	I	96.5	Very high	95.5	Very high	87 Å²	87	70.7 Å²	70.7	45%	0.446	36%	0.363	S	S	.	.			trans	-126	103.3	179.4	-52.6	177.3	0	0	0	106.5	N499 I500 Y501	I493-N499 PolarHBondContact N-OD1 3.19Å; I493-N499 VanDerWaalsContact N-OD1 3.15Å; I493-N499 CarbonylContact O-C 3.55Å; I493-N499 WeakPolarHBondContact O-CA 3.32Å; I493-N499 PolarHBondContact O-OD1 2.96Å; I493-I500 HydrophobicContact CB-CD1 3.86Å; I493-I500 HydrophobicContact CG2-CD1 3.55Å; I493-I500 HydrophobicContact CG2-CG1 4.46Å; I493-I500 WeakPolarHBondContact O-CG1 3.35Å; I493-I500 PolarHBondContact O-N 2.97Å; I493-Y501 HydrophobicContact CD1-CD2 4.01Å
494	F	96.9	Very high	95.5	Very high	123 Å²	123	70.3 Å²	70.3	54%	0.539	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	135.4	-172.2	-72.6	-82.3	0	0	0	112.7	E492 W498 N499	E492-F494 HydrophobicContact CB-CD2 4.4Å; E492-F494 HydrophobicContact CB-CE2 3.79Å; E492-F494 HydrophobicContact CB-CZ 4.48Å; F494-W498 WeakPolarHBondContact CA-O 3.44Å; F494-N499 HydrophobicContact CD1-CB 4.26Å; F494-N499 HydrophobicContact CE1-CB 3.93Å; F494-N499 HydrophobicContact CZ-CB 4.27Å
495	V	94.6	Very high	95.4	Very high	32 Å²	32	72.8 Å²	72.8	19%	0.194	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	130.1	167.8	173.2	0	0	0	0	106.9	T414 L415 G497 W498 I500	T414-V495 HydrophobicContact CG2-CG1 4.38Å; T414-V495 VanDerWaalsContact OG1-CG1 3.23Å; T414-V495 WeakPolarHBondContact OG1-CG1 3.06Å; L415-V495 HydrophobicContact CD2-CB 4.26Å; L415-V495 HydrophobicContact CD2-CG1 4.01Å; V495-G497 PolarHBondContact O-N 2.83Å; V495-G497 VanDerWaalsContact O-N 3.09Å; V495-W498 PolarHBondContact N-O 3.41Å; V495-W498 PolarHBondContact O-N 3.37Å; V495-I500 HydrophobicContact CB-CG1 4.03Å; V495-I500 HydrophobicContact CB-CG2 4.08Å; V495-I500 HydrophobicContact CG2-CD1 4.47Å; V495-I500 HydrophobicContact CG2-CG1 3.63Å
496	D	92.4	Very high	95.5	Very high	89 Å²	89	70.9 Å²	70.9	48%	0.476	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.8	37.4	-179.7	-54.7	-10.3	0	0	0	113.9	T414 L415 W498	T414-D496 PolarHBondContact OG1-OD2 2.84Å; L415-D496 HydrophobicContact CD1-CB 4.37Å; L415-D496 HydrophobicContact CG-CB 4.44Å; D496-W498 VanDerWaalsContact O-CD1 3.27Å
497	G	95.3	Very high	95.7	Very high	61 Å²	61	72.7 Å²	72.7	63%	0.629	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.5	-4.8	-178.2	0	0	0	0	0	115.8	V495	V495-G497 PolarHBondContact O-N 2.83Å; V495-G497 VanDerWaalsContact O-N 3.09Å
498	W	97.9	Very high	96.1	Very high	55 Å²	55	72.4 Å²	72.4	21%	0.208	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	137.1	-174.4	-59.9	109.2	0	0	0	113	L415 F494 V495 D496 I500 F571 D572 L573 N574	L415-W498 HydrophobicContact CD2-CB 4.48Å; F494-W498 WeakPolarHBondContact CA-O 3.44Å; V495-W498 PolarHBondContact N-O 3.41Å; V495-W498 PolarHBondContact O-N 3.37Å; D496-W498 VanDerWaalsContact O-CD1 3.27Å; W498-I500 PolarHBondContact O-N 2.7Å; W498-I500 VanDerWaalsContact O-N 3.13Å; W498-F571 WeakPolarHBondContact CB-O 3.36Å; W498-F571 VanDerWaalsContact CE3-O 3.31Å; W498-F571 VanDerWaalsContact CG-O 3.22Å; W498-D572 WeakPolarHBondContact CZ2-OD1 3.27Å; W498-L573 HydrophobicContact CE3-CB 4.16Å; W498-L573 HydrophobicContact CE3-CD1 4.26Å; W498-L573 HydrophobicContact CE3-CG 3.76Å; W498-L573 HydrophobicContact CH2-CB 3.75Å; W498-L573 HydrophobicContact CH2-CG 4.29Å; W498-L573 HydrophobicContact CZ3-CB 3.47Å; W498-L573 VanDerWaalsContact CZ3-CB 3.47Å; W498-L573 HydrophobicContact CZ3-CD1 3.95Å; W498-L573 HydrophobicContact CZ3-CG 3.54Å; W498-N574 HydrophobicContact CH2-CB 4.3Å; W498-N574 HydrophobicContact CZ2-CB 4.09Å
499	N	98.3	Very high	96.5	Very high	33 Å²	33	63.7 Å²	63.7	18%	0.176	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	102.8	175.2	-179.3	0.2	0	0	0	110.4	K490 P491 I493 F494 Y501	K490-N499 WeakPolarHBondContact CE-ND2 3.44Å; P491-N499 PolarHBondContact O-ND2 2.82Å; P491-N499 PolarHBondContact O-OD1 3.35Å; I493-N499 PolarHBondContact N-OD1 3.19Å; I493-N499 VanDerWaalsContact N-OD1 3.15Å; I493-N499 CarbonylContact O-C 3.55Å; I493-N499 WeakPolarHBondContact O-CA 3.32Å; I493-N499 PolarHBondContact O-OD1 2.96Å; F494-N499 HydrophobicContact CD1-CB 4.26Å; F494-N499 HydrophobicContact CE1-CB 3.93Å; F494-N499 HydrophobicContact CZ-CB 4.27Å; N499-Y501 VanDerWaalsContact C-N 3.28Å; N499-Y501 PolarHBondContact O-N 3.27Å; N499-Y501 VanDerWaalsContact OD1-CB 3.24Å; N499-Y501 WeakPolarHBondContact OD1-CB 3.34Å; N499-Y501 PolarHBondContact OD1-N 3.25Å
500	I	98.3	Very high	96.7	Very high	8 Å²	8	59.3 Å²	59.3	4%	0.041	31%	0.314	C	S	.	.			trans	-84.4	9.4	-178.3	58.9	61.4	0	0	0	114.2	L415 H418 I493 V495 W498 F502 F571	L415-I500 HydrophobicContact CD2-CG2 3.74Å; H418-I500 HydrophobicContact CB-CB 4.21Å; H418-I500 HydrophobicContact CB-CG2 4.22Å; H418-I500 WeakPolarHBondContact CE1-CD1 2.82Å; H418-I500 WeakPolarHBondContact ND1-CD1 2.94Å; H418-I500 WeakPolarHBondContact ND1-CG1 3.21Å; I493-I500 HydrophobicContact CB-CD1 3.86Å; I493-I500 HydrophobicContact CG2-CD1 3.55Å; I493-I500 HydrophobicContact CG2-CG1 4.46Å; I493-I500 WeakPolarHBondContact O-CG1 3.35Å; I493-I500 PolarHBondContact O-N 2.97Å; V495-I500 HydrophobicContact CB-CG1 4.03Å; V495-I500 HydrophobicContact CB-CG2 4.08Å; V495-I500 HydrophobicContact CG2-CD1 4.47Å; V495-I500 HydrophobicContact CG2-CG1 3.63Å; W498-I500 PolarHBondContact O-N 2.7Å; W498-I500 VanDerWaalsContact O-N 3.13Å; I500-F502 WeakPolarHBondContact O-CD1 3.45Å; I500-F502 PolarHBondContact O-N 3.07Å; I500-F571 HydrophobicContact CB-CD1 4.15Å; I500-F571 HydrophobicContact CB-CE1 4.14Å; I500-F571 HydrophobicContact CG2-CB 4.26Å; I500-F571 HydrophobicContact CG2-CD1 3.99Å; I500-F571 HydrophobicContact CG2-CD2 4.48Å; I500-F571 HydrophobicContact CG2-CE1 4.46Å; I500-F571 HydrophobicContact CG2-CG 4Å; I500-F571 WeakPolarHBondContact O-CE1 3.43Å
501	Y	98.4	Very high	96.8	Very high	35 Å²	35	61.9 Å²	61.9	14%	0.137	34%	0.335	C	S	.	.			trans	-66.6	130.6	178.5	178.1	-91.6	0	0	0	113.2	I484 Y485 K490 P491 I493 N499	I484-Y501 WeakPolarHBondContact O-CE1 3.3Å; I484-Y501 PolarHBondContact O-OH 3.4Å; Y485-Y501 HydrophobicContact CD1-CE1 4.46Å; K490-Y501 HydrophobicContact CG-CD1 4.02Å; K490-Y501 PolarHBondContact NZ-O 2.97Å; P491-Y501 HydrophobicContact CB-CD1 4.38Å; P491-Y501 HydrophobicContact CB-CD2 3.72Å; P491-Y501 HydrophobicContact CB-CE2 4.02Å; P491-Y501 HydrophobicContact CB-CG 3.92Å; P491-Y501 HydrophobicContact CG-CD1 4.33Å; P491-Y501 HydrophobicContact CG-CD2 4.02Å; P491-Y501 HydrophobicContact CG-CE1 4.14Å; P491-Y501 HydrophobicContact CG-CE2 3.79Å; P491-Y501 HydrophobicContact CG-CG 4.28Å; P491-Y501 WeakPolarHBondContact O-CB 3.12Å; I493-Y501 HydrophobicContact CD1-CD2 4.01Å; N499-Y501 VanDerWaalsContact C-N 3.28Å; N499-Y501 PolarHBondContact O-N 3.27Å; N499-Y501 VanDerWaalsContact OD1-CB 3.24Å; N499-Y501 WeakPolarHBondContact OD1-CB 3.34Å; N499-Y501 PolarHBondContact OD1-N 3.25Å
502	F	98.6	Very high	96.7	Very high	9 Å²	9	63.9 Å²	63.9	4%	0.039	34%	0.337	C	S	.	.			trans	-147.3	158.2	163.1	66	-80	0	0	0	109.5	R421 L422 A425 L481 Q482 I500 D504 F571	R421-F502 HydrophobicContact CB-CE1 4.42Å; R421-F502 HydrophobicContact CB-CZ 3.72Å; L422-F502 HydrophobicContact CB-CD1 4.35Å; L422-F502 HydrophobicContact CB-CD2 4.43Å; L422-F502 HydrophobicContact CB-CE1 4.21Å; L422-F502 HydrophobicContact CB-CE2 4.27Å; L422-F502 HydrophobicContact CB-CG 4.48Å; L422-F502 HydrophobicContact CB-CZ 4.19Å; L422-F502 HydrophobicContact CD1-CB 3.78Å; L422-F502 HydrophobicContact CD1-CD1 4.18Å; L422-F502 HydrophobicContact CD1-CD2 3.56Å; L422-F502 HydrophobicContact CD1-CE2 4.18Å; L422-F502 HydrophobicContact CD1-CG 3.58Å; A425-F502 HydrophobicContact CB-CE2 4.07Å; L481-F502 HydrophobicContact CB-CB 4.2Å; L481-F502 HydrophobicContact CB-CD2 4.47Å; L481-F502 CarbonylContact O-C 3.48Å; L481-F502 WeakPolarHBondContact O-CA 3.28Å; Q482-F502 HydrophobicContact CG-CB 3.74Å; I500-F502 WeakPolarHBondContact O-CD1 3.45Å; I500-F502 PolarHBondContact O-N 3.07Å; F502-D504 HydrophobicContact CD2-CB 4.2Å; F502-D504 HydrophobicContact CE2-CB 3.65Å; F502-D504 HydrophobicContact CZ-CB 4.33Å; F502-F571 HydrophobicContact CD1-CE1 4.48Å; F502-F571 AromaticContact CD1-CZ 3.83Å; F502-F571 HydrophobicContact CD1-CZ 3.83Å; F502-F571 HydrophobicContact CE1-CZ 4.29Å
503	F	98.4	Very high	96.8	Very high	3 Å²	3	58 Å²	58	1%	0.013	31%	0.309	C	S	.	.			trans	-75	121.6	173.5	-176.3	-94.6	0	0	0	111.1	L481 I484 Q505 E508 L509 Y512	L481-F503 HydrophobicContact CD2-CB 4.44Å; L481-F503 HydrophobicContact CD2-CD1 4.16Å; L481-F503 PolarHBondContact O-N 3.2Å; I484-F503 HydrophobicContact CB-CB 3.98Å; I484-F503 HydrophobicContact CB-CG 4.26Å; I484-F503 HydrophobicContact CG2-CB 3.91Å; I484-F503 HydrophobicContact CG2-CD1 4.12Å; I484-F503 HydrophobicContact CG2-CD2 3.68Å; I484-F503 HydrophobicContact CG2-CE2 4.17Å; I484-F503 HydrophobicContact CG2-CG 3.65Å; F503-Q505 HydrophobicContact CE1-CB 4.18Å; F503-Q505 WeakPolarHBondContact CE1-O 3.47Å; F503-Q505 HydrophobicContact CE2-CB 4.11Å; F503-Q505 HydrophobicContact CZ-CB 3.78Å; F503-Q505 VanDerWaalsContact CZ-O 3.27Å; F503-Q505 WeakPolarHBondContact CZ-O 3.36Å; F503-E508 HydrophobicContact CZ-CB 4.12Å; F503-L509 HydrophobicContact CD1-CD1 3.95Å; F503-L509 HydrophobicContact CE1-CB 4.04Å; F503-L509 HydrophobicContact CE1-CD1 3.73Å; F503-Y512 AromaticContact CE2-CD2 3.77Å; F503-Y512 HydrophobicContact CE2-CD2 3.77Å; F503-Y512 HydrophobicContact CE2-CE2 4.19Å; F503-Y512 HydrophobicContact CE2-CG 4.25Å; F503-Y512 AromaticContact CZ-CD2 3.62Å; F503-Y512 HydrophobicContact CZ-CD2 3.62Å; F503-Y512 HydrophobicContact CZ-CE2 4.26Å; F503-Y512 HydrophobicContact CZ-CG 4.31Å
504	D	97.1	Very high	96.6	Very high	77 Å²	77	58.8 Å²	58.8	41%	0.412	32%	0.322	S	S	.	.			trans	-119.9	3	179.3	64.5	-13.3	0	0	0	115.1	R421 F502 I506	R421-D504 IonicContact CZ-OD2 3.61Å; R421-D504 IonicContact NH2-OD2 3.32Å; R421-D504 PolarHBondContact NH2-OD2 3.05Å; F502-D504 HydrophobicContact CD2-CB 4.2Å; F502-D504 HydrophobicContact CE2-CB 3.65Å; F502-D504 HydrophobicContact CZ-CB 4.33Å; D504-I506 PolarHBondContact O-N 2.88Å
505	Q	97.1	Very high	96.6	Very high	70 Å²	70	55.6 Å²	55.6	33%	0.327	31%	0.309	S	S	.	.			trans	-78	63.7	171.3	-54.1	-166.5	-93.1	0	0	111.2	K486 F503 D507 E508 L509	K486-Q505 VanDerWaalsContact CE-OE1 3.24Å; F503-Q505 HydrophobicContact CE1-CB 4.18Å; F503-Q505 WeakPolarHBondContact CE1-O 3.47Å; F503-Q505 HydrophobicContact CE2-CB 4.11Å; F503-Q505 HydrophobicContact CZ-CB 3.78Å; F503-Q505 VanDerWaalsContact CZ-O 3.27Å; F503-Q505 WeakPolarHBondContact CZ-O 3.36Å; Q505-D507 VanDerWaalsContact C-OD1 3.23Å; Q505-D507 PolarHBondContact O-N 2.85Å; Q505-D507 VanDerWaalsContact O-N 3.16Å; Q505-E508 HydrophobicContact CB-CB 4.15Å; Q505-E508 HydrophobicContact CB-CG 4.29Å; Q505-E508 PolarHBondContact NE2-OE1 3.01Å; Q505-E508 PolarHBondContact O-N 2.85Å; Q505-L509 PolarHBondContact O-N 3.38Å
506	I	97.3	Very high	96.7	Very high	33 Å²	33	56.7 Å²	56.7	17%	0.169	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-23.9	-170.7	-59.4	-53.9	0	0	0	113.3	A425 A428 I429 L481 D504 L509	A425-I506 HydrophobicContact CB-CD1 4.17Å; A425-I506 HydrophobicContact CB-CG1 4.14Å; A428-I506 HydrophobicContact CB-CG2 4.35Å; I429-I506 HydrophobicContact CD1-CD1 4.38Å; I429-I506 HydrophobicContact CG1-CD1 4.09Å; I429-I506 HydrophobicContact CG1-CG2 3.97Å; L481-I506 HydrophobicContact CD1-CD1 4.1Å; L481-I506 HydrophobicContact CD2-CD1 3.89Å; D504-I506 PolarHBondContact O-N 2.88Å; I506-L509 WeakPolarHBondContact O-CB 3.47Å; I506-L509 PolarHBondContact O-N 2.81Å
507	D	95.4	Very high	96.8	Very high	137 Å²	137	55.2 Å²	55.2	73%	0.733	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-38.5	170.1	58.4	-40.8	0	0	0	113.3	Q505 L509	Q505-D507 VanDerWaalsContact C-OD1 3.23Å; Q505-D507 PolarHBondContact O-N 2.85Å; Q505-D507 VanDerWaalsContact O-N 3.16Å; D507-L509 VanDerWaalsContact C-N 3.28Å; D507-L509 PolarHBondContact O-N 2.79Å
508	E	96.6	Very high	96.9	Very high	57 Å²	57	57.9 Å²	57.9	27%	0.266	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-11.7	174.2	-67.2	-170.9	-153.2	0	0	113.3	K486 F503 Q505 P510 T511 Y512	K486-E508 WeakPolarHBondContact CE-OE2 3.2Å; K486-E508 IonicContact NZ-OE1 2.97Å; K486-E508 PolarHBondContact NZ-OE1 3.5Å; K486-E508 IonicContact NZ-OE2 3.66Å; K486-E508 PolarHBondContact NZ-OE2 2.94Å; F503-E508 HydrophobicContact CZ-CB 4.12Å; Q505-E508 HydrophobicContact CB-CB 4.15Å; Q505-E508 HydrophobicContact CB-CG 4.29Å; Q505-E508 PolarHBondContact NE2-OE1 3.01Å; Q505-E508 PolarHBondContact O-N 2.85Å; E508-P510 VanDerWaalsContact C-CD 3.4Å; E508-T511 WeakPolarHBondContact O-CB 3.46Å; E508-T511 PolarHBondContact O-N 3.09Å; E508-T511 PolarHBondContact O-OG1 3.49Å; E508-Y512 HydrophobicContact CB-CD2 4.31Å; E508-Y512 HydrophobicContact CB-CE2 4.14Å; E508-Y512 WeakPolarHBondContact OE2-CE2 3.3Å
509	L	96.7	Very high	96.9	Very high	3 Å²	3	55.5 Å²	55.5	2%	0.016	31%	0.309	C	S	.	.	H	α-helix	trans	-52.1	-39.4	-169.2	-174	64	0	0	0	115.9	I429 P479 L481 I484 F503 Q505 I506 D507 T511 Y512 W513	I429-L509 HydrophobicContact CD1-CD2 3.87Å; I429-L509 HydrophobicContact CG1-CD2 3.94Å; I429-L509 HydrophobicContact CG2-CD2 3.92Å; P479-L509 HydrophobicContact CG-CD1 4.17Å; P479-L509 HydrophobicContact CG-CD2 4.22Å; L481-L509 HydrophobicContact CD2-CD1 4.26Å; I484-L509 HydrophobicContact CD1-CD1 3.69Å; F503-L509 HydrophobicContact CD1-CD1 3.95Å; F503-L509 HydrophobicContact CE1-CB 4.04Å; F503-L509 HydrophobicContact CE1-CD1 3.73Å; Q505-L509 PolarHBondContact O-N 3.38Å; I506-L509 WeakPolarHBondContact O-CB 3.47Å; I506-L509 PolarHBondContact O-N 2.81Å; D507-L509 VanDerWaalsContact C-N 3.28Å; D507-L509 PolarHBondContact O-N 2.79Å; L509-T511 PolarHBondContact O-N 3.44Å; L509-T511 VanDerWaalsContact O-N 3.12Å; L509-Y512 PolarHBondContact O-N 2.98Å; L509-W513 HydrophobicContact CD1-CB 4.01Å; L509-W513 HydrophobicContact CD2-CE3 4.12Å; L509-W513 HydrophobicContact CG-CB 4.28Å; L509-W513 HydrophobicContact CG-CE3 4.31Å; L509-W513 PolarHBondContact O-N 3.35Å
510	P	96.8	Very high	96.9	Very high	83 Å²	83	60.1 Å²	60.1	54%	0.539	34%	0.338	S	S	.	.	H	α-helix	trans	-59.2	-23.2	177.3	-24.8	35.8	0	0	0	114.1	E508	E508-P510 VanDerWaalsContact C-CD 3.4Å
511	T	96.7	Very high	97	Very high	114 Å²	114	61.5 Å²	61.5	70%	0.699	35%	0.345	S	S	*	.	H	α-helix	trans	-73.2	-34.9	175.9	-44.1	0	0	0	0	112	E508 L509	E508-T511 WeakPolarHBondContact O-CB 3.46Å; E508-T511 PolarHBondContact O-N 3.09Å; E508-T511 PolarHBondContact O-OG1 3.49Å; L509-T511 PolarHBondContact O-N 3.44Å; L509-T511 VanDerWaalsContact O-N 3.12Å
512	Y	96.3	Very high	97	Very high	88 Å²	88	61.3 Å²	61.3	35%	0.345	35%	0.348	S	S	.	.	H	α-helix	trans	-102.2	-15.5	-172.4	-66.4	-74.9	0	0	0	113.9	I484 K486 F503 E508 L509	I484-Y512 HydrophobicContact CG2-CG 4.42Å; K486-Y512 HydrophobicContact CD-CE1 4.46Å; K486-Y512 WeakPolarHBondContact CD-OH 3.39Å; K486-Y512 WeakPolarHBondContact CE-OH 3.34Å; K486-Y512 HydrophobicContact CG-CE1 3.89Å; F503-Y512 AromaticContact CE2-CD2 3.77Å; F503-Y512 HydrophobicContact CE2-CD2 3.77Å; F503-Y512 HydrophobicContact CE2-CE2 4.19Å; F503-Y512 HydrophobicContact CE2-CG 4.25Å; F503-Y512 AromaticContact CZ-CD2 3.62Å; F503-Y512 HydrophobicContact CZ-CD2 3.62Å; F503-Y512 HydrophobicContact CZ-CE2 4.26Å; F503-Y512 HydrophobicContact CZ-CG 4.31Å; E508-Y512 HydrophobicContact CB-CD2 4.31Å; E508-Y512 HydrophobicContact CB-CE2 4.14Å; E508-Y512 WeakPolarHBondContact OE2-CE2 3.3Å; L509-Y512 PolarHBondContact O-N 2.98Å
513	W	97.3	Very high	97	Very high	20 Å²	20	61.4 Å²	61.4	8%	0.076	35%	0.35	C	S	.	.			trans	-122.2	96.2	-179.8	-178.4	40.5	0	0	0	111.8	I429 P476 V477 P479 I484 L509 E515 C516	I429-W513 HydrophobicContact CG2-CZ3 4.36Å; P476-W513 HydrophobicContact CB-CZ2 4.3Å; P476-W513 HydrophobicContact CG-CZ2 4.11Å; V477-W513 WeakPolarHBondContact O-CH2 3.16Å; P479-W513 HydrophobicContact CB-CD2 3.76Å; P479-W513 HydrophobicContact CB-CE3 4.3Å; P479-W513 HydrophobicContact CB-CG 3.87Å; P479-W513 HydrophobicContact CB-CZ2 4.45Å; P479-W513 HydrophobicContact CG-CD2 3.97Å; P479-W513 HydrophobicContact CG-CE3 3.99Å; P479-W513 HydrophobicContact CG-CG 4.33Å; P479-W513 HydrophobicContact CG-CZ3 4.45Å; I484-W513 HydrophobicContact CD1-CB 4.08Å; L509-W513 HydrophobicContact CD1-CB 4.01Å; L509-W513 HydrophobicContact CD2-CE3 4.12Å; L509-W513 HydrophobicContact CG-CB 4.28Å; L509-W513 HydrophobicContact CG-CE3 4.31Å; L509-W513 PolarHBondContact O-N 3.35Å; W513-E515 HydrophobicContact CZ2-CB 4.08Å; W513-E515 PolarHBondContact O-N 3.28Å; W513-C516 HydrophobicContact CD2-CB 4.12Å; W513-C516 VanDerWaalsContact CE3-CA 3.49Å; W513-C516 HydrophobicContact CE3-CB 3.57Å; W513-C516 HydrophobicContact CZ3-CB 4.02Å; W513-C516 WeakPolarHBondContact O-CB 3.38Å; W513-C516 PolarHBondContact O-N 3.11Å
514	S	92.8	Very high	97	Very high	105 Å²	105	61.2 Å²	61.2	73%	0.734	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	1.3	-176.7	64.8	0	0	0	0	115.6	K518	S514-K518 WeakPolarHBondContact O-CE 3.38Å; S514-K518 PolarHBondContact O-NZ 3.05Å
515	E	96.4	Very high	97.1	Very high	56 Å²	56	61.2 Å²	61.2	26%	0.262	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	4	170.8	-47.8	-179.2	93	0	0	113.6	P476 W513 G517 K518	P476-E515 WeakPolarHBondContact CD-OE1 3.22Å; P476-E515 HydrophobicContact CG-CB 4.23Å; P476-E515 VanDerWaalsContact CG-OE2 3.29Å; P476-E515 WeakPolarHBondContact CG-OE2 3.41Å; W513-E515 HydrophobicContact CZ2-CB 4.08Å; W513-E515 PolarHBondContact O-N 3.28Å; E515-G517 PolarHBondContact O-N 2.91Å; E515-K518 HydrophobicContact CB-CD 4.03Å; E515-K518 HydrophobicContact CG-CD 4.39Å; E515-K518 WeakPolarHBondContact O-CB 3.23Å; E515-K518 WeakPolarHBondContact O-CG 3.32Å; E515-K518 PolarHBondContact O-N 3.43Å
516	C	95.8	Very high	97.2	Very high	54 Å²	54	57.9 Å²	57.9	37%	0.365	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	128.9	177.1	-168.2	0	0	0	0	111.5	W513 K518	W513-C516 HydrophobicContact CD2-CB 4.12Å; W513-C516 VanDerWaalsContact CE3-CA 3.49Å; W513-C516 HydrophobicContact CE3-CB 3.57Å; W513-C516 HydrophobicContact CZ3-CB 4.02Å; W513-C516 WeakPolarHBondContact O-CB 3.38Å; W513-C516 PolarHBondContact O-N 3.11Å; C516-K518 VanDerWaalsContact C-N 3.25Å; C516-K518 PolarHBondContact O-N 3.32Å
517	G	94.6	Very high	97.3	Very high	58 Å²	58	56.3 Å²	56.3	60%	0.598	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.3	-1.9	-179.6	0	0	0	0	0	116.5	E515 N519	E515-G517 PolarHBondContact O-N 2.91Å; G517-N519 PolarHBondContact O-N 2.68Å
518	K	98.1	Very high	97.4	Very high	117 Å²	117	50.5 Å²	50.5	51%	0.509	29%	0.292	S	S	.	.			trans	-69	-31.9	-177.8	-71.3	-173.7	-172	158.4	0	114.2	P475 S514 E515 C516	P475-K518 HydrophobicContact CB-CB 4.05Å; P475-K518 HydrophobicContact CG-CB 4.29Å; S514-K518 WeakPolarHBondContact O-CE 3.38Å; S514-K518 PolarHBondContact O-NZ 3.05Å; E515-K518 HydrophobicContact CB-CD 4.03Å; E515-K518 HydrophobicContact CG-CD 4.39Å; E515-K518 WeakPolarHBondContact O-CB 3.23Å; E515-K518 WeakPolarHBondContact O-CG 3.32Å; E515-K518 PolarHBondContact O-N 3.43Å; C516-K518 VanDerWaalsContact C-N 3.25Å; C516-K518 PolarHBondContact O-N 3.32Å
519	N	98.7	Very high	97.5	Very high	5 Å²	5	48.2 Å²	48.2	3%	0.027	28%	0.283	C	S	.	.			trans	-81.1	118.8	175.4	-173	-62.5	0	0	0	110.7	R432 P475 P476 V477 G517 E521	R432-N519 VanDerWaalsContact CZ-O 3.31Å; R432-N519 PolarHBondContact NH1-O 3.34Å; R432-N519 PolarHBondContact NH1-OD1 3.48Å; R432-N519 PolarHBondContact NH2-O 2.9Å; P475-N519 HydrophobicContact CG-CB 3.95Å; P475-N519 PolarHBondContact O-ND2 2.89Å; P476-N519 WeakPolarHBondContact O-CB 3.42Å; V477-N519 HydrophobicContact CG2-CB 3.8Å; G517-N519 PolarHBondContact O-N 2.68Å; N519-E521 PolarHBondContact ND2-OE1 3.25Å; N519-E521 WeakPolarHBondContact OD1-CB 3.48Å; N519-E521 PolarHBondContact OD1-N 2.98Å
520	T	98.4	Very high	97.6	Very high	130 Å²	130	48.1 Å²	48.1	80%	0.798	28%	0.283	S	S	*	.			trans	-110.8	14.5	178.5	57.9	0	0	0	0	114
521	E	98.7	Very high	97.7	Very high	38 Å²	38	44.1 Å²	44.1	18%	0.178	26%	0.257	C	S	.	.			trans	-63.7	140.1	177.2	-64.4	-179.2	-86.3	0	0	111.8	R432 R473 N519 Q525 L526	R432-E521 WeakPolarHBondContact CD-O 3.29Å; R432-E521 PolarHBondContact NH1-O 3.39Å; R473-E521 WeakPolarHBondContact CG-OE1 3.47Å; R473-E521 IonicContact CZ-OE1 2.8Å; R473-E521 IonicContact CZ-OE2 2.68Å; R473-E521 IonicContact NE-OE1 3.24Å; R473-E521 PolarHBondContact NE-OE1 2.81Å; R473-E521 IonicContact NE-OE2 3.86Å; R473-E521 PolarHBondContact NE-OE2 3.08Å; R473-E521 IonicContact NH2-OE1 3.21Å; R473-E521 IonicContact NH2-OE2 2.99Å; R473-E521 PolarHBondContact NH2-OE2 3.31Å; N519-E521 PolarHBondContact ND2-OE1 3.25Å; N519-E521 WeakPolarHBondContact OD1-CB 3.48Å; N519-E521 PolarHBondContact OD1-N 2.98Å; E521-Q525 HydrophobicContact CB-CB 4.29Å; E521-L526 HydrophobicContact CB-CD1 4.35Å; E521-L526 HydrophobicContact CB-CD2 3.86Å; E521-L526 HydrophobicContact CB-CG 3.77Å; E521-L526 HydrophobicContact CG-CD2 4.44Å; E521-L526 WeakPolarHBondContact OE1-CD2 3.11Å
522	S	98.8	Very high	97.8	Very high	30 Å²	30	44 Å²	44	21%	0.21	24%	0.244	C	C	.	.			trans	-70.4	163.6	177.1	92.6	0	0	0	0	111.9	D291 G524 Q525 L526	D291-S522 WeakPolarHBondContact OD1-CB 3.41Å; D291-S522 PolarHBondContact OD1-OG 3.38Å; D291-S522 PolarHBondContact OD2-OG 3.17Å; S522-G524 VanDerWaalsContact C-N 3.31Å; S522-G524 PolarHBondContact O-N 3.16Å; S522-Q525 PolarHBondContact O-N 2.96Å; S522-Q525 WeakPolarHBondContact OG-CG 3.42Å; S522-Q525 PolarHBondContact OG-N 3.26Å; S522-L526 WeakPolarHBondContact O-CG 3.28Å; S522-L526 PolarHBondContact O-N 2.9Å
523	V	98.9	Very high	97.9	Very high	11 Å²	11	40.3 Å²	40.3	7%	0.067	23%	0.23	C	C	.	.	H	α-helix	trans	-62	-41.8	-178.1	-164.9	0	0	0	0	111.1	D291 C294 I295 R432 Y435 L436 L526 W527	D291-V523 PolarHBondContact OD1-N 3.44Å; C294-V523 HydrophobicContact CB-CB 4.11Å; C294-V523 HydrophobicContact CB-CG1 3.34Å; I295-V523 HydrophobicContact CD1-CG2 4.38Å; I295-V523 HydrophobicContact CG1-CG2 4.27Å; R432-V523 HydrophobicContact CG-CG2 4.22Å; Y435-V523 HydrophobicContact CD2-CG1 4.4Å; Y435-V523 HydrophobicContact CD2-CG2 3.7Å; Y435-V523 HydrophobicContact CE2-CG2 4.47Å; Y435-V523 HydrophobicContact CG-CG1 4.43Å; Y435-V523 HydrophobicContact CG-CG2 4.46Å; L436-V523 HydrophobicContact CD2-CG1 4.11Å; L436-V523 HydrophobicContact CG-CG1 4.19Å; V523-L526 PolarHBondContact O-N 3.21Å; V523-W527 WeakPolarHBondContact O-CB 3.45Å; V523-W527 PolarHBondContact O-N 2.65Å
524	G	98.6	Very high	98	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-68.5	-35.6	177.1	0	0	0	0	0	113.4	D291 S522 L528	D291-G524 PolarHBondContact OD1-N 3.44Å; S522-G524 VanDerWaalsContact C-N 3.31Å; S522-G524 PolarHBondContact O-N 3.16Å; G524-L528 PolarHBondContact O-N 3.13Å; G524-L528 VanDerWaalsContact O-N 3.1Å
525	Q	98.8	Very high	98.1	Very high	77 Å²	77	35.9 Å²	35.9	36%	0.36	20%	0.2	S	C	.	.	H	α-helix	trans	-63.1	-46.9	170.7	-73.2	177.3	-45.3	0	0	111	L287 E521 S522 G529	L287-Q525 HydrophobicContact CD1-CG 4.49Å; L287-Q525 HydrophobicContact CD2-CG 4.06Å; E521-Q525 HydrophobicContact CB-CB 4.29Å; S522-Q525 PolarHBondContact O-N 2.96Å; S522-Q525 WeakPolarHBondContact OG-CG 3.42Å; S522-Q525 PolarHBondContact OG-N 3.26Å; Q525-G529 WeakPolarHBondContact O-CA 3.49Å; Q525-G529 PolarHBondContact O-N 3Å
526	L	98.9	Very high	98.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-67.2	-35.8	177.4	-69.9	170.8	0	0	0	112.8	R432 L436 F469 L470 R473 V477 E521 S522 V523 G529 L530	R432-L526 HydrophobicContact CB-CD1 4.34Å; L436-L526 HydrophobicContact CD1-CB 3.71Å; L436-L526 HydrophobicContact CD1-CD1 4.07Å; L436-L526 HydrophobicContact CD2-CB 4.19Å; F469-L526 HydrophobicContact CE1-CB 4.32Å; F469-L526 HydrophobicContact CE1-CD2 4.19Å; F469-L526 VanDerWaalsContact CE1-O 3.28Å; F469-L526 WeakPolarHBondContact CE1-O 3.5Å; F469-L526 HydrophobicContact CZ-CD2 4.32Å; F469-L526 WeakPolarHBondContact CZ-O 3.4Å; L470-L526 HydrophobicContact CD2-CD1 4.31Å; L470-L526 HydrophobicContact CD2-CD2 4.33Å; R473-L526 HydrophobicContact CG-CD2 4.25Å; V477-L526 HydrophobicContact CG2-CD1 3.99Å; V477-L526 HydrophobicContact CG2-CD2 3.91Å; E521-L526 HydrophobicContact CB-CD1 4.35Å; E521-L526 HydrophobicContact CB-CD2 3.86Å; E521-L526 HydrophobicContact CB-CG 3.77Å; E521-L526 HydrophobicContact CG-CD2 4.44Å; E521-L526 WeakPolarHBondContact OE1-CD2 3.11Å; S522-L526 WeakPolarHBondContact O-CG 3.28Å; S522-L526 PolarHBondContact O-N 2.9Å; V523-L526 PolarHBondContact O-N 3.21Å; L526-G529 CarbonylContact O-C 3.47Å; L526-G529 PolarHBondContact O-N 2.91Å; L526-L530 WeakPolarHBondContact O-CB 3.1Å; L526-L530 PolarHBondContact O-N 3.27Å
527	W	98.9	Very high	98	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-65.8	-49.7	177.3	173.1	-119.9	0	0	0	112	L436 T439 M440 F443 V523 G529 L530 L531 F600	L436-W527 HydrophobicContact CD2-CB 3.75Å; L436-W527 HydrophobicContact CD2-CE3 4.41Å; T439-W527 HydrophobicContact CG2-CD2 3.5Å; T439-W527 HydrophobicContact CG2-CE3 3.69Å; T439-W527 HydrophobicContact CG2-CG 4.05Å; T439-W527 HydrophobicContact CG2-CH2 4.05Å; T439-W527 HydrophobicContact CG2-CZ2 3.87Å; T439-W527 HydrophobicContact CG2-CZ3 3.96Å; M440-W527 HydrophobicContact CB-CZ3 4.26Å; M440-W527 HydrophobicContact CE-CZ3 4.13Å; F443-W527 HydrophobicContact CB-CH2 3.8Å; F443-W527 HydrophobicContact CB-CZ2 4.11Å; F443-W527 HydrophobicContact CD1-CH2 4.06Å; F443-W527 HydrophobicContact CD2-CH2 4.38Å; F443-W527 HydrophobicContact CD2-CZ2 4.12Å; F443-W527 AromaticContact CG-CH2 3.84Å; F443-W527 HydrophobicContact CG-CH2 3.84Å; F443-W527 HydrophobicContact CG-CZ2 4.03Å; V523-W527 WeakPolarHBondContact O-CB 3.45Å; V523-W527 PolarHBondContact O-N 2.65Å; W527-G529 VanDerWaalsContact C-N 3.27Å; W527-G529 PolarHBondContact O-N 3.41Å; W527-L530 HydrophobicContact CZ3-CD2 4.43Å; W527-L530 PolarHBondContact O-N 3.35Å; W527-L531 HydrophobicContact CD2-CD1 4.32Å; W527-L531 HydrophobicContact CH2-CD2 4.24Å; W527-L531 HydrophobicContact CH2-CG 4.44Å; W527-L531 HydrophobicContact CZ2-CD1 3.86Å; W527-L531 HydrophobicContact CZ2-CD2 4.13Å; W527-L531 HydrophobicContact CZ2-CG 4.13Å; W527-L531 PolarHBondContact O-N 3.25Å; W527-L531 VanDerWaalsContact O-N 3.08Å; W527-F600 AromaticContact CD1-CD1 3.61Å; W527-F600 AromaticContact CD1-CE1 3.91Å; W527-F600 AromaticContact CD1-CG 3.94Å; W527-F600 HydrophobicContact CZ2-CD2 4.38Å; W527-F600 HydrophobicContact CZ2-CE2 4.02Å; W527-F600 HydrophobicContact CZ2-CZ 4.28Å; W527-F600 AromaticContact NE1-CD1 3.19Å; W527-F600 AromaticContact NE1-CD2 3.5Å; W527-F600 AromaticContact NE1-CE1 3.25Å; W527-F600 AromaticContact NE1-CE2 3.59Å; W527-F600 AromaticContact NE1-CG 3.32Å; W527-F600 VanDerWaalsContact NE1-CG 3.32Å; W527-F600 AromaticContact NE1-CZ 3.46Å
528	L	98.8	Very high	98.2	Very high	15 Å²	15	38.8 Å²	38.8	8%	0.079	19%	0.193	C	C	.	.	H	α-helix	trans	-65.6	-35.5	173.2	-178.5	59.5	0	0	0	111.2	L279 L282 G524 L530 L531 R532 F600	L279-L528 HydrophobicContact CD1-CD1 4.19Å; L279-L528 HydrophobicContact CD1-CD2 4.44Å; L282-L528 HydrophobicContact CD1-CD2 3.48Å; L282-L528 VanDerWaalsContact CD1-CD2 3.48Å; G524-L528 PolarHBondContact O-N 3.13Å; G524-L528 VanDerWaalsContact O-N 3.1Å; L528-L530 VanDerWaalsContact C-N 3.31Å; L528-L530 PolarHBondContact O-N 3.36Å; L528-L531 PolarHBondContact O-N 3.03Å; L528-R532 HydrophobicContact CD1-CG 4.3Å; L528-R532 HydrophobicContact CG-CG 4.43Å; L528-R532 WeakPolarHBondContact O-CB 3.34Å; L528-R532 VanDerWaalsContact O-CG 3.3Å; L528-R532 WeakPolarHBondContact O-CG 3.36Å; L528-R532 PolarHBondContact O-N 3.45Å; L528-F600 HydrophobicContact CD1-CB 4.43Å
529	G	98.8	Very high	98	Very high	9 Å²	9	36.3 Å²	36.3	9%	0.093	19%	0.185	C	C	.	.	H	α-helix	trans	-55.8	-42.8	171.8	0	0	0	0	0	112.7	F469 Q525 L526 W527 R532 F533	F469-G529 VanDerWaalsContact CE2-C 3.46Å; Q525-G529 WeakPolarHBondContact O-CA 3.49Å; Q525-G529 PolarHBondContact O-N 3Å; L526-G529 CarbonylContact O-C 3.47Å; L526-G529 PolarHBondContact O-N 2.91Å; W527-G529 VanDerWaalsContact C-N 3.27Å; W527-G529 PolarHBondContact O-N 3.41Å; G529-R532 PolarHBondContact O-N 3.01Å; G529-F533 VanDerWaalsContact O-CB 3.26Å; G529-F533 WeakPolarHBondContact O-CB 2.96Å; G529-F533 PolarHBondContact O-N 3.43Å
530	L	98.9	Very high	97.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-67.5	-46.3	176.8	-173.6	156.9	0	0	0	111.8	M440 V466 F469 L526 W527 L528 R532 F533 Y534 F593	M440-L530 HydrophobicContact CE-CD1 4.13Å; M440-L530 HydrophobicContact CE-CD2 3.36Å; M440-L530 HydrophobicContact CE-CG 4.44Å; V466-L530 HydrophobicContact CB-CD1 4.21Å; V466-L530 HydrophobicContact CG1-CD1 4.33Å; V466-L530 HydrophobicContact CG2-CD1 3.79Å; F469-L530 HydrophobicContact CB-CD1 4.21Å; F469-L530 HydrophobicContact CB-CG 4.26Å; F469-L530 HydrophobicContact CD1-CB 3.77Å; F469-L530 HydrophobicContact CD1-CD1 3.83Å; F469-L530 HydrophobicContact CD1-CG 4.01Å; F469-L530 HydrophobicContact CD2-CB 4.25Å; F469-L530 HydrophobicContact CE1-CB 3.79Å; F469-L530 HydrophobicContact CE2-CB 4.26Å; F469-L530 HydrophobicContact CG-CB 4Å; F469-L530 HydrophobicContact CG-CD1 4.14Å; F469-L530 HydrophobicContact CG-CG 4Å; F469-L530 HydrophobicContact CZ-CB 4.04Å; F469-L530 VanDerWaalsContact CZ-N 3.33Å; L526-L530 WeakPolarHBondContact O-CB 3.1Å; L526-L530 PolarHBondContact O-N 3.27Å; W527-L530 HydrophobicContact CZ3-CD2 4.43Å; W527-L530 PolarHBondContact O-N 3.35Å; L528-L530 VanDerWaalsContact C-N 3.31Å; L528-L530 PolarHBondContact O-N 3.36Å; L530-R532 VanDerWaalsContact C-N 3.27Å; L530-R532 PolarHBondContact O-N 3.07Å; L530-F533 PolarHBondContact O-N 3.01Å; L530-Y534 HydrophobicContact CD2-CD2 3.84Å; L530-Y534 HydrophobicContact CD2-CE2 4.35Å; L530-Y534 HydrophobicContact CG-CD2 4.1Å; L530-Y534 HydrophobicContact CG-CE2 4.29Å; L530-Y534 PolarHBondContact O-N 3.04Å; L530-F593 HydrophobicContact CD2-CE1 4.18Å
531	L	98.8	Very high	97.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-60.4	-38.7	177.5	-72.4	170.4	0	0	0	111.5	F443 W527 L528 T535 F593 R597 F600	F443-L531 HydrophobicContact CE1-CD2 4.34Å; F443-L531 HydrophobicContact CZ-CD2 4.15Å; W527-L531 HydrophobicContact CD2-CD1 4.32Å; W527-L531 HydrophobicContact CH2-CD2 4.24Å; W527-L531 HydrophobicContact CH2-CG 4.44Å; W527-L531 HydrophobicContact CZ2-CD1 3.86Å; W527-L531 HydrophobicContact CZ2-CD2 4.13Å; W527-L531 HydrophobicContact CZ2-CG 4.13Å; W527-L531 PolarHBondContact O-N 3.25Å; W527-L531 VanDerWaalsContact O-N 3.08Å; L528-L531 PolarHBondContact O-N 3.03Å; L531-T535 WeakPolarHBondContact O-CG2 3.46Å; L531-T535 PolarHBondContact O-OG1 3.1Å; L531-F593 HydrophobicContact CD2-CD1 4.19Å; L531-R597 HydrophobicContact CB-CB 4.28Å; L531-F600 HydrophobicContact CD1-CB 3.8Å; L531-F600 HydrophobicContact CD1-CD2 3.65Å; L531-F600 HydrophobicContact CD1-CG 3.94Å
532	R	98.4	Very high	97.1	Very high	111 Å²	111	38 Å²	38	42%	0.419	18%	0.181	S	C	.	.	H	α-helix	trans	-70	-46	172.3	-69.1	-178.3	70	-153.2	-12.7	112.1	L279 L528 G529 L530 Y534 T535 E536 R597	L279-R532 HydrophobicContact CD1-CG 3.98Å; L528-R532 HydrophobicContact CD1-CG 4.3Å; L528-R532 HydrophobicContact CG-CG 4.43Å; L528-R532 WeakPolarHBondContact O-CB 3.34Å; L528-R532 VanDerWaalsContact O-CG 3.3Å; L528-R532 WeakPolarHBondContact O-CG 3.36Å; L528-R532 PolarHBondContact O-N 3.45Å; G529-R532 PolarHBondContact O-N 3.01Å; L530-R532 VanDerWaalsContact C-N 3.27Å; L530-R532 PolarHBondContact O-N 3.07Å; R532-Y534 VanDerWaalsContact C-N 3.32Å; R532-Y534 PolarHBondContact O-N 3Å; R532-T535 PolarHBondContact O-N 2.97Å; R532-T535 PolarHBondContact O-OG1 3.32Å; R532-E536 WeakPolarHBondContact CG-OE1 3.24Å; R532-E536 IonicContact CZ-OE1 2.69Å; R532-E536 IonicContact CZ-OE2 2.6Å; R532-E536 VanDerWaalsContact CZ-OE2 3.24Å; R532-E536 VanDerWaalsContact NE-CD 3.33Å; R532-E536 IonicContact NE-OE1 3.61Å; R532-E536 PolarHBondContact NE-OE1 3.4Å; R532-E536 IonicContact NE-OE2 3.18Å; R532-E536 PolarHBondContact NE-OE2 3.14Å; R532-E536 IonicContact NH2-OE1 2.69Å; R532-E536 IonicContact NH2-OE2 2.99Å; R532-E536 PolarHBondContact NH2-OE2 2.67Å; R532-E536 WeakPolarHBondContact O-CB 3.34Å; R532-E536 PolarHBondContact O-N 3.39Å; R532-R597 HydrophobicContact CG-CG 4.37Å
533	F	98.6	Very high	97.1	Very high	11 Å²	11	38.6 Å²	38.6	5%	0.048	18%	0.181	C	C	.	.	I	π-helix	trans	-53	-49.2	179.5	179.3	-102.4	0	0	0	111.7	Y468 F469 Q472 G529 L530 T535 E537 F538	Y468-F533 HydrophobicContact CD1-CE1 4.08Å; Y468-F533 HydrophobicContact CD1-CZ 4.32Å; Y468-F533 HydrophobicContact CE1-CE1 4.07Å; Y468-F533 AromaticContact CE1-CZ 3.95Å; Y468-F533 HydrophobicContact CE1-CZ 3.95Å; F469-F533 HydrophobicContact CB-CD1 4.31Å; F469-F533 HydrophobicContact CD2-CB 3.68Å; F469-F533 AromaticContact CD2-CD1 3.93Å; F469-F533 HydrophobicContact CD2-CD1 3.93Å; F469-F533 HydrophobicContact CD2-CD2 4.27Å; F469-F533 AromaticContact CD2-CG 3.71Å; F469-F533 HydrophobicContact CD2-CG 3.71Å; F469-F533 HydrophobicContact CE2-CB 3.91Å; F469-F533 HydrophobicContact CE2-CG 4.32Å; Q472-F533 HydrophobicContact CB-CZ 4.42Å; G529-F533 VanDerWaalsContact O-CB 3.26Å; G529-F533 WeakPolarHBondContact O-CB 2.96Å; G529-F533 PolarHBondContact O-N 3.43Å; L530-F533 PolarHBondContact O-N 3.01Å; F533-T535 VanDerWaalsContact C-N 3.25Å; F533-T535 PolarHBondContact O-N 3.37Å; F533-E537 HydrophobicContact CD2-CB 4.09Å; F533-E537 HydrophobicContact CD2-CG 4.14Å; F533-E537 HydrophobicContact CE2-CG 4.41Å; F533-E537 PolarHBondContact O-N 3.21Å; F533-F538 HydrophobicContact CD1-CB 4.16Å; F533-F538 HydrophobicContact CE1-CB 3.85Å; F533-F538 AromaticContact CE1-CD2 4Å; F533-F538 HydrophobicContact CE1-CD2 4Å; F533-F538 HydrophobicContact CE1-CG 4.05Å; F533-F538 HydrophobicContact CE2-CB 4.47Å; F533-F538 HydrophobicContact CZ-CB 4.02Å; F533-F538 AromaticContact CZ-CD2 3.83Å; F533-F538 HydrophobicContact CZ-CD2 3.83Å; F533-F538 HydrophobicContact CZ-CG 4.24Å; F533-F538 WeakPolarHBondContact O-CB 3.38Å; F533-F538 PolarHBondContact O-N 3.39Å
534	Y	98.5	Very high	97.1	Very high	1 Å²	1	38 Å²	38	0%	0.004	18%	0.178	C	C	.	.	I	π-helix	trans	-82.3	15	178.9	-72.3	-56.9	0	0	0	115.4	M465 Y468 F469 L530 R532 F538 F540 I545 M590 F593	M465-Y534 WeakPolarHBondContact CA-OH 3.34Å; M465-Y534 HydrophobicContact CB-CE2 3.89Å; M465-Y534 HydrophobicContact CE-CD1 4.03Å; M465-Y534 HydrophobicContact CE-CD2 3.94Å; M465-Y534 HydrophobicContact CE-CE1 3.99Å; M465-Y534 HydrophobicContact CE-CE2 3.88Å; M465-Y534 HydrophobicContact CE-CG 4.01Å; M465-Y534 PolarHBondContact O-OH 2.61Å; Y468-Y534 WeakPolarHBondContact CD1-OH 3.34Å; F469-Y534 HydrophobicContact CB-CE2 4.32Å; L530-Y534 HydrophobicContact CD2-CD2 3.84Å; L530-Y534 HydrophobicContact CD2-CE2 4.35Å; L530-Y534 HydrophobicContact CG-CD2 4.1Å; L530-Y534 HydrophobicContact CG-CE2 4.29Å; L530-Y534 PolarHBondContact O-N 3.04Å; R532-Y534 VanDerWaalsContact C-N 3.32Å; R532-Y534 PolarHBondContact O-N 3Å; Y534-F538 HydrophobicContact CD1-CB 4.08Å; Y534-F538 AromaticContact CD1-CD1 3.89Å; Y534-F538 HydrophobicContact CD1-CD1 3.89Å; Y534-F538 HydrophobicContact CD1-CG 4.15Å; Y534-F538 HydrophobicContact CE1-CB 4.36Å; Y534-F538 AromaticContact CE1-CD1 3.81Å; Y534-F538 HydrophobicContact CE1-CD1 3.81Å; Y534-F538 HydrophobicContact CE1-CE1 4.31Å; Y534-F538 HydrophobicContact CE1-CG 4.03Å; Y534-F540 HydrophobicContact CD1-CE1 4.11Å; Y534-F540 AromaticContact CD1-CE2 3.9Å; Y534-F540 HydrophobicContact CD1-CE2 3.9Å; Y534-F540 AromaticContact CD1-CZ 3.41Å; Y534-F540 HydrophobicContact CD1-CZ 3.41Å; Y534-F540 VanDerWaalsContact CD1-CZ 3.41Å; Y534-F540 HydrophobicContact CE1-CE1 4.4Å; Y534-F540 HydrophobicContact CE1-CZ 4.12Å; Y534-F540 HydrophobicContact CG-CZ 4.14Å; Y534-I545 HydrophobicContact CD1-CD1 4.47Å; Y534-I545 HydrophobicContact CE1-CD1 3.51Å; Y534-I545 HydrophobicContact CE1-CG1 4.24Å; Y534-M590 WeakPolarHBondContact O-CE 3.5Å; Y534-F593 HydrophobicContact CD2-CE1 4.44Å
535	T	96.5	Very high	97.1	Very high	31 Å²	31	38.1 Å²	38.1	19%	0.19	18%	0.178	C	C	.	.	I	π-helix	trans	-136	-28.2	172.8	54.9	0	0	0	0	114.2	L276 L531 R532 F533 F593 I594 R597	L276-T535 WeakPolarHBondContact CD1-O 3.5Å; L531-T535 WeakPolarHBondContact O-CG2 3.46Å; L531-T535 PolarHBondContact O-OG1 3.1Å; R532-T535 PolarHBondContact O-N 2.97Å; R532-T535 PolarHBondContact O-OG1 3.32Å; F533-T535 VanDerWaalsContact C-N 3.25Å; F533-T535 PolarHBondContact O-N 3.37Å; T535-F593 HydrophobicContact CG2-CB 4Å; T535-I594 HydrophobicContact CG2-CG1 3.74Å; T535-R597 VanDerWaalsContact OG1-CD 3.27Å; T535-R597 WeakPolarHBondContact OG1-CD 3.39Å
536	E	94.6	Very high	97.1	Very high	83 Å²	83	34.6 Å²	34.6	39%	0.388	16%	0.162	S	C	.	.	I	π-helix	trans	-106.7	-33.7	-178.6	-61.6	175.8	-165	0	0	113.5	L276 R532 R597	L276-E536 HydrophobicContact CD1-CG 3.82Å; R532-E536 WeakPolarHBondContact CG-OE1 3.24Å; R532-E536 IonicContact CZ-OE1 2.69Å; R532-E536 IonicContact CZ-OE2 2.6Å; R532-E536 VanDerWaalsContact CZ-OE2 3.24Å; R532-E536 VanDerWaalsContact NE-CD 3.33Å; R532-E536 IonicContact NE-OE1 3.61Å; R532-E536 PolarHBondContact NE-OE1 3.4Å; R532-E536 IonicContact NE-OE2 3.18Å; R532-E536 PolarHBondContact NE-OE2 3.14Å; R532-E536 IonicContact NH2-OE1 2.69Å; R532-E536 IonicContact NH2-OE2 2.99Å; R532-E536 PolarHBondContact NH2-OE2 2.67Å; R532-E536 WeakPolarHBondContact O-CB 3.34Å; R532-E536 PolarHBondContact O-N 3.39Å; E536-R597 IonicContact OE1-CZ 3.21Å; E536-R597 IonicContact OE1-NE 2.9Å; E536-R597 PolarHBondContact OE1-NE 2.99Å; E536-R597 IonicContact OE1-NH2 2.68Å; E536-R597 PolarHBondContact OE1-NH2 3.26Å
537	E	95.6	Very high	97.1	Very high	128 Å²	128	34.6 Å²	34.6	60%	0.598	16%	0.162	S	C	*	.	I	π-helix	trans	-115.9	-45	-159.3	-165.5	-177.8	146.3	0	0	113.9	F533 D539	F533-E537 HydrophobicContact CD2-CB 4.09Å; F533-E537 HydrophobicContact CD2-CG 4.14Å; F533-E537 HydrophobicContact CE2-CG 4.41Å; F533-E537 PolarHBondContact O-N 3.21Å; E537-D539 PolarHBondContact O-N 3.11Å
538	F	97.1	Very high	97.1	Very high	18 Å²	18	37.4 Å²	37.4	8%	0.079	17%	0.172	C	C	.	.			trans	-83.6	104.3	-173.1	-175.2	-103	0	0	0	112.5	Y468 F533 Y534 F540 H543 I545	Y468-F538 AromaticContact CE1-CD2 3.94Å; Y468-F538 HydrophobicContact CE1-CD2 3.94Å; Y468-F538 AromaticContact CE1-CE2 3.57Å; Y468-F538 HydrophobicContact CE1-CE2 3.57Å; Y468-F538 HydrophobicContact CE1-CZ 4.31Å; Y468-F538 AromaticContact CZ-CE2 3.93Å; F533-F538 HydrophobicContact CD1-CB 4.16Å; F533-F538 HydrophobicContact CE1-CB 3.85Å; F533-F538 AromaticContact CE1-CD2 4Å; F533-F538 HydrophobicContact CE1-CD2 4Å; F533-F538 HydrophobicContact CE1-CG 4.05Å; F533-F538 HydrophobicContact CE2-CB 4.47Å; F533-F538 HydrophobicContact CZ-CB 4.02Å; F533-F538 AromaticContact CZ-CD2 3.83Å; F533-F538 HydrophobicContact CZ-CD2 3.83Å; F533-F538 HydrophobicContact CZ-CG 4.24Å; F533-F538 WeakPolarHBondContact O-CB 3.38Å; F533-F538 PolarHBondContact O-N 3.39Å; Y534-F538 HydrophobicContact CD1-CB 4.08Å; Y534-F538 AromaticContact CD1-CD1 3.89Å; Y534-F538 HydrophobicContact CD1-CD1 3.89Å; Y534-F538 HydrophobicContact CD1-CG 4.15Å; Y534-F538 HydrophobicContact CE1-CB 4.36Å; Y534-F538 AromaticContact CE1-CD1 3.81Å; Y534-F538 HydrophobicContact CE1-CD1 3.81Å; Y534-F538 HydrophobicContact CE1-CE1 4.31Å; Y534-F538 HydrophobicContact CE1-CG 4.03Å; F538-F540 VanDerWaalsContact C-N 3.31Å; F538-F540 HydrophobicContact CD1-CB 4.32Å; F538-F540 AromaticContact CD1-CD1 3.71Å; F538-F540 HydrophobicContact CD1-CD1 3.71Å; F538-F540 AromaticContact CD1-CD2 3.71Å; F538-F540 HydrophobicContact CD1-CD2 3.71Å; F538-F540 AromaticContact CD1-CE1 3.93Å; F538-F540 HydrophobicContact CD1-CE1 3.93Å; F538-F540 AromaticContact CD1-CE2 3.93Å; F538-F540 HydrophobicContact CD1-CE2 3.93Å; F538-F540 AromaticContact CD1-CG 3.61Å; F538-F540 HydrophobicContact CD1-CG 3.61Å; F538-F540 HydrophobicContact CD1-CZ 4.04Å; F538-F540 HydrophobicContact CE1-CB 4.24Å; F538-F540 AromaticContact CE1-CD1 3.54Å; F538-F540 HydrophobicContact CE1-CD1 3.54Å; F538-F540 HydrophobicContact CE1-CD2 4.33Å; F538-F540 AromaticContact CE1-CE1 3.97Å; F538-F540 HydrophobicContact CE1-CE1 3.97Å; F538-F540 AromaticContact CE1-CG 3.75Å; F538-F540 HydrophobicContact CE1-CG 3.75Å; F538-F540 WeakPolarHBondContact O-CD2 3.44Å; F538-F540 PolarHBondContact O-N 2.81Å; F538-H543 HydrophobicContact CE2-CB 3.6Å; F538-H543 HydrophobicContact CZ-CB 3.69Å; F538-H543 WeakPolarHBondContact CZ-O 3.39Å; F538-I545 HydrophobicContact CD1-CD1 4.48Å; F538-I545 HydrophobicContact CD1-CG1 4.45Å; F538-I545 HydrophobicContact CE1-CD1 3.84Å; F538-I545 HydrophobicContact CE1-CG1 3.5Å; F538-I545 HydrophobicContact CE2-CG1 4.32Å; F538-I545 HydrophobicContact CZ-CD1 4.27Å; F538-I545 HydrophobicContact CZ-CG1 3.43Å; F538-I545 VanDerWaalsContact CZ-CG1 3.43Å
539	D	94.8	Very high	97	Very high	64 Å²	64	39.6 Å²	39.6	34%	0.342	18%	0.18	S	C	.	.			trans	-75.4	86	169.8	-161.6	-11.7	0	0	0	111.6	K272 E537 K541 E542 H543	K272-D539 IonicContact NZ-OD1 2.78Å; K272-D539 IonicContact NZ-OD2 2.68Å; K272-D539 PolarHBondContact NZ-OD2 3.08Å; E537-D539 PolarHBondContact O-N 3.11Å; D539-K541 PolarHBondContact O-N 3.46Å; D539-K541 VanDerWaalsContact O-N 3.11Å; D539-K541 VanDerWaalsContact OD1-CB 3.23Å; D539-K541 WeakPolarHBondContact OD1-CB 3.47Å; D539-K541 PolarHBondContact OD1-N 3.33Å; D539-E542 HydrophobicContact CB-CB 4.38Å; D539-E542 PolarHBondContact O-N 3.43Å; D539-H543 PolarHBondContact O-N 2.91Å
540	F	94.6	Very high	97	Very high	3 Å²	3	43.1 Å²	43.1	1%	0.013	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43.2	-28.7	164.7	-76.2	-81.3	0	0	0	115.6	M465 Y534 F538 I545 Y564 I565 M590	M465-F540 HydrophobicContact CE-CE1 4.43Å; M465-F540 HydrophobicContact CE-CZ 4.32Å; Y534-F540 HydrophobicContact CD1-CE1 4.11Å; Y534-F540 AromaticContact CD1-CE2 3.9Å; Y534-F540 HydrophobicContact CD1-CE2 3.9Å; Y534-F540 AromaticContact CD1-CZ 3.41Å; Y534-F540 HydrophobicContact CD1-CZ 3.41Å; Y534-F540 VanDerWaalsContact CD1-CZ 3.41Å; Y534-F540 HydrophobicContact CE1-CE1 4.4Å; Y534-F540 HydrophobicContact CE1-CZ 4.12Å; Y534-F540 HydrophobicContact CG-CZ 4.14Å; F538-F540 VanDerWaalsContact C-N 3.31Å; F538-F540 HydrophobicContact CD1-CB 4.32Å; F538-F540 AromaticContact CD1-CD1 3.71Å; F538-F540 HydrophobicContact CD1-CD1 3.71Å; F538-F540 AromaticContact CD1-CD2 3.71Å; F538-F540 HydrophobicContact CD1-CD2 3.71Å; F538-F540 AromaticContact CD1-CE1 3.93Å; F538-F540 HydrophobicContact CD1-CE1 3.93Å; F538-F540 AromaticContact CD1-CE2 3.93Å; F538-F540 HydrophobicContact CD1-CE2 3.93Å; F538-F540 AromaticContact CD1-CG 3.61Å; F538-F540 HydrophobicContact CD1-CG 3.61Å; F538-F540 HydrophobicContact CD1-CZ 4.04Å; F538-F540 HydrophobicContact CE1-CB 4.24Å; F538-F540 AromaticContact CE1-CD1 3.54Å; F538-F540 HydrophobicContact CE1-CD1 3.54Å; F538-F540 HydrophobicContact CE1-CD2 4.33Å; F538-F540 AromaticContact CE1-CE1 3.97Å; F538-F540 HydrophobicContact CE1-CE1 3.97Å; F538-F540 AromaticContact CE1-CG 3.75Å; F538-F540 HydrophobicContact CE1-CG 3.75Å; F538-F540 WeakPolarHBondContact O-CD2 3.44Å; F538-F540 PolarHBondContact O-N 2.81Å; F540-I545 HydrophobicContact CD1-CD1 4.37Å; F540-I545 HydrophobicContact CE1-CD1 3.82Å; F540-Y564 CarbonylContact C-O 3.55Å; F540-Y564 HydrophobicContact CB-CD1 4.35Å; F540-Y564 HydrophobicContact CB-CD2 3.81Å; F540-Y564 HydrophobicContact CB-CE1 3.92Å; F540-Y564 HydrophobicContact CB-CE2 3.3Å; F540-Y564 HydrophobicContact CB-CG 4.29Å; F540-Y564 WeakPolarHBondContact CB-O 3.34Å; F540-Y564 HydrophobicContact CD2-CE1 4.03Å; F540-Y564 AromaticContact CD2-CZ 3.79Å; F540-Y564 WeakPolarHBondContact CD2-OH 3.44Å; F540-Y564 HydrophobicContact CG-CE1 4.06Å; F540-Y564 HydrophobicContact CG-CE2 4.28Å; F540-Y564 AromaticContact CG-CZ 3.85Å; F540-I565 HydrophobicContact CD1-CB 4.38Å; F540-I565 HydrophobicContact CD1-CG1 4.05Å; F540-I565 HydrophobicContact CD1-CG2 4.48Å; F540-I565 HydrophobicContact CE1-CB 4.37Å; F540-I565 HydrophobicContact CE1-CG1 3.9Å; F540-I565 HydrophobicContact CE1-CG2 4.14Å; F540-M590 HydrophobicContact CD2-CE 4.32Å; F540-M590 HydrophobicContact CE2-CE 3.8Å; F540-M590 HydrophobicContact CE2-SD 4.13Å; F540-M590 HydrophobicContact CZ-CE 4.5Å; F540-M590 HydrophobicContact CZ-SD 4.32Å
541	K	89.9	Confident	97	Very high	128 Å²	128	46.7 Å²	46.7	56%	0.557	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-33.1	177.9	-166.1	-125.1	170.9	-160.8	0	111.1	D539 T555 Y564	D539-K541 PolarHBondContact O-N 3.46Å; D539-K541 VanDerWaalsContact O-N 3.11Å; D539-K541 VanDerWaalsContact OD1-CB 3.23Å; D539-K541 WeakPolarHBondContact OD1-CB 3.47Å; D539-K541 PolarHBondContact OD1-N 3.33Å; K541-T555 WeakPolarHBondContact O-CG2 3.39Å; K541-T555 PolarHBondContact O-OG1 3.12Å; K541-Y564 HydrophobicContact CB-CD2 4.38Å; K541-Y564 HydrophobicContact CB-CE2 4.29Å
542	E	92.4	Very high	96.9	Very high	77 Å²	77	50.9 Å²	50.9	36%	0.36	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-35.5	-178.2	-167.6	54	-135.2	0	0	112.4	D539 T554 T555	D539-E542 HydrophobicContact CB-CB 4.38Å; D539-E542 PolarHBondContact O-N 3.43Å; E542-T554 HydrophobicContact CG-CG2 4.47Å; E542-T554 CarbonylContact O-C 3.37Å; E542-T554 WeakPolarHBondContact O-CA 3.35Å; E542-T554 WeakPolarHBondContact O-CB 3.4Å; E542-T555 PolarHBondContact O-N 3.23Å; E542-T555 PolarHBondContact O-OG1 2.9Å
543	H	98.1	Very high	96.9	Very high	43 Å²	43	46.1 Å²	46.1	20%	0.199	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-115.5	146.2	-169.1	-64.7	103.7	0	0	0	115	F538 D539 L553	F538-H543 HydrophobicContact CE2-CB 3.6Å; F538-H543 HydrophobicContact CZ-CB 3.69Å; F538-H543 WeakPolarHBondContact CZ-O 3.39Å; D539-H543 PolarHBondContact O-N 2.91Å; H543-L553 WeakPolarHBondContact CA-O 3.26Å
544	V	98.8	Very high	96.9	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.232	C	C	.	.			trans	-96.6	130.1	173.3	179	0	0	0	0	109.6	S546 L553 T555 K558 W560 V566 E568	V544-S546 PolarHBondContact O-N 3.49Å; V544-L553 HydrophobicContact CB-CB 4.34Å; V544-L553 HydrophobicContact CB-CD2 4.15Å; V544-L553 HydrophobicContact CB-CG 4.13Å; V544-L553 HydrophobicContact CG1-CD2 4.19Å; V544-L553 HydrophobicContact CG2-CG 4.37Å; V544-L553 PolarHBondContact N-O 2.85Å; V544-T555 HydrophobicContact CG2-CG2 4Å; V544-K558 HydrophobicContact CG2-CB 4.21Å; V544-K558 HydrophobicContact CG2-CG 4.25Å; V544-W560 HydrophobicContact CG1-CE3 4.39Å; V544-W560 HydrophobicContact CG1-CZ3 4.37Å; V544-V566 HydrophobicContact CB-CG1 4.38Å; V544-V566 HydrophobicContact CG1-CG1 4.07Å; V544-V566 HydrophobicContact CG2-CG1 3.84Å; V544-E568 HydrophobicContact CG1-CB 3.89Å
545	I	98.9	Very high	96.7	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-72.1	110.7	170.7	-60.4	176.5	0	0	0	107.3	M465 Y468 Y534 F538 F540 V566 I567 E568	M465-I545 HydrophobicContact CE-CD1 4.19Å; M465-I545 HydrophobicContact CG-CD1 3.99Å; M465-I545 HydrophobicContact CG-CG2 4.4Å; Y468-I545 HydrophobicContact CD1-CG1 4.46Å; Y468-I545 HydrophobicContact CD1-CG2 4.08Å; Y468-I545 HydrophobicContact CD2-CG2 4.26Å; Y468-I545 HydrophobicContact CG-CG2 3.75Å; Y534-I545 HydrophobicContact CD1-CD1 4.47Å; Y534-I545 HydrophobicContact CE1-CD1 3.51Å; Y534-I545 HydrophobicContact CE1-CG1 4.24Å; F538-I545 HydrophobicContact CD1-CD1 4.48Å; F538-I545 HydrophobicContact CD1-CG1 4.45Å; F538-I545 HydrophobicContact CE1-CD1 3.84Å; F538-I545 HydrophobicContact CE1-CG1 3.5Å; F538-I545 HydrophobicContact CE2-CG1 4.32Å; F538-I545 HydrophobicContact CZ-CD1 4.27Å; F538-I545 HydrophobicContact CZ-CG1 3.43Å; F538-I545 VanDerWaalsContact CZ-CG1 3.43Å; F540-I545 HydrophobicContact CD1-CD1 4.37Å; F540-I545 HydrophobicContact CE1-CD1 3.82Å; I545-V566 PolarHBondContact N-O 2.71Å; I545-I567 HydrophobicContact CB-CB 4.38Å; I545-I567 HydrophobicContact CB-CG1 4.03Å; I545-I567 HydrophobicContact CB-CG2 4.34Å; I545-I567 HydrophobicContact CD1-CG1 4.06Å; I545-I567 HydrophobicContact CG1-CG1 4.5Å; I545-I567 HydrophobicContact CG2-CG1 4.4Å; I545-I567 HydrophobicContact CG2-CG2 4.2Å; I545-I567 WeakPolarHBondContact O-CA 3.48Å; I545-E568 PolarHBondContact O-N 3.37Å
546	S	98.8	Very high	96.6	Very high	3 Å²	3	54 Å²	54	2%	0.021	26%	0.258	C	S	.	.			trans	-143.5	112	-171.7	175.8	0	0	0	0	110	Y468 V544 E568	Y468-S546 WeakPolarHBondContact CD2-O 3.35Å; V544-S546 PolarHBondContact O-N 3.49Å; S546-E568 WeakPolarHBondContact CB-OE2 3.44Å; S546-E568 PolarHBondContact OG-OE2 2.8Å
547	I	98.8	Very high	96.7	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.005	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-1.3	-172.2	66.1	152	0	0	0	114.8	L422 Y426 L464 L467 Q471 P570	L422-I547 HydrophobicContact CD2-CD1 4.15Å; Y426-I547 HydrophobicContact CE2-CD1 4.02Å; L464-I547 HydrophobicContact CB-CG2 4.32Å; L464-I547 HydrophobicContact CD2-CD1 3.62Å; L464-I547 HydrophobicContact CD2-CG1 4.13Å; L464-I547 WeakPolarHBondContact O-CG2 3.46Å; L467-I547 HydrophobicContact CB-CG2 4.01Å; L467-I547 HydrophobicContact CD1-CD1 4.09Å; Q471-I547 PolarHBondContact NE2-O 3.36Å; Q471-I547 VanDerWaalsContact OE1-CA 3.25Å; Q471-I547 PolarHBondContact OE1-O 2.95Å; I547-P570 HydrophobicContact CD1-CB 4.15Å; I547-P570 HydrophobicContact CD1-CG 4.24Å; I547-P570 HydrophobicContact CG1-CB 4Å; I547-P570 HydrophobicContact CG1-CG 4.39Å
548	R	98.7	Very high	96.7	Very high	59 Å²	59	53.1 Å²	53.1	22%	0.223	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-3.5	-175	70	178.1	178.4	102.1	-7.1	114.1	V480 Q482 E568	V480-R548 WeakPolarHBondContact CG1-O 3.24Å; Q482-R548 HydrophobicContact CB-CB 4.31Å; Q482-R548 VanDerWaalsContact OE1-CA 3.31Å; R548-E568 IonicContact CZ-OE1 2.99Å; R548-E568 IonicContact CZ-OE2 2.69Å; R548-E568 IonicContact NE-OE1 2.78Å; R548-E568 PolarHBondContact NE-OE1 3.05Å; R548-E568 IonicContact NE-OE2 2.97Å; R548-E568 PolarHBondContact NE-OE2 3.3Å; R548-E568 IonicContact NH2-OE1 2.75Å; R548-E568 PolarHBondContact NH2-OE1 3.23Å; R548-E568 IonicContact NH2-OE2 2.75Å; R548-E568 PolarHBondContact NH2-OE2 3.4Å
549	R	98.2	Very high	96.7	Very high	60 Å²	60	60.6 Å²	60.6	23%	0.226	29%	0.286	C	S	.	.			trans	-150.9	134.7	-174.8	53.3	-177.8	-75.2	118.1	-3.4	111.4	E483 S551 L552	E483-R549 VanDerWaalsContact CD-CA 3.5Å; E483-R549 WeakPolarHBondContact OE1-CA 3.24Å; E483-R549 WeakPolarHBondContact OE2-CA 3.47Å; R549-S551 PolarHBondContact NE-O 2.97Å; R549-S551 PolarHBondContact NH2-O 2.89Å; R549-S551 PolarHBondContact NH2-OG 3.11Å; R549-L552 PolarHBondContact NH2-O 3.33Å; R549-L552 VanDerWaalsContact NH2-O 3.08Å
550	K	97.9	Very high	96.8	Very high	83 Å²	83	59.6 Å²	59.6	36%	0.361	28%	0.277	S	S	.	.	S	Bend	trans	-77.1	-33.7	177.2	-156.5	-174	-163.2	-53.6	0	111.2	Q471 Q472 V480 E483 L552	Q471-K550 PolarHBondContact O-NZ 2.86Å; Q472-K550 PolarHBondContact NE2-O 3.35Å; V480-K550 HydrophobicContact CG2-CB 3.97Å; E483-K550 PolarHBondContact OE2-N 2.91Å; K550-L552 PolarHBondContact O-N 3.25Å
551	S	97.9	Very high	96.7	Very high	75 Å²	75	64 Å²	64	52%	0.524	31%	0.305	S	S	.	.	S	Bend	trans	-65.9	127.9	174.1	173.4	0	0	0	0	110.8	R549	R549-S551 PolarHBondContact NE-O 2.97Å; R549-S551 PolarHBondContact NH2-O 2.89Å; R549-S551 PolarHBondContact NH2-OG 3.11Å
552	L	98.1	Very high	96.7	Very high	89 Å²	89	62.8 Å²	62.8	47%	0.466	31%	0.312	S	S	.	.			trans	-51.5	151.9	178.1	-60.4	177.2	0	0	0	112.3	Y468 R549 K550	Y468-L552 VanDerWaalsContact OH-CD2 3.28Å; Y468-L552 WeakPolarHBondContact OH-CD2 3.29Å; R549-L552 PolarHBondContact NH2-O 3.33Å; R549-L552 VanDerWaalsContact NH2-O 3.08Å; K550-L552 PolarHBondContact O-N 3.25Å
553	L	98.3	Very high	96.8	Very high	11 Å²	11	62.2 Å²	62.2	6%	0.058	31%	0.308	C	S	.	.			trans	-128.7	124.5	179.7	178.1	61.3	0	0	0	108.5	H543 V544 K557 K558	H543-L553 WeakPolarHBondContact CA-O 3.26Å; V544-L553 HydrophobicContact CB-CB 4.34Å; V544-L553 HydrophobicContact CB-CD2 4.15Å; V544-L553 HydrophobicContact CB-CG 4.13Å; V544-L553 HydrophobicContact CG1-CD2 4.19Å; V544-L553 HydrophobicContact CG2-CG 4.37Å; V544-L553 PolarHBondContact N-O 2.85Å; L553-K557 HydrophobicContact CD1-CD 4.4Å; L553-K557 HydrophobicContact CD1-CG 4.35Å; L553-K558 HydrophobicContact CD1-CG 4.32Å; L553-K558 HydrophobicContact CD2-CG 3.93Å; L553-K558 HydrophobicContact CG-CG 4.17Å
554	T	97.9	Very high	96.6	Very high	40 Å²	40	62 Å²	62	25%	0.245	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-87.5	149.3	-178.3	61.9	0	0	0	0	112.7	E542 F556 K557 K558	E542-T554 HydrophobicContact CG-CG2 4.47Å; E542-T554 CarbonylContact O-C 3.37Å; E542-T554 WeakPolarHBondContact O-CA 3.35Å; E542-T554 WeakPolarHBondContact O-CB 3.4Å; T554-F556 PolarHBondContact O-N 3.45Å; T554-K557 PolarHBondContact O-N 3.46Å; T554-K557 WeakPolarHBondContact OG1-CB 3.22Å; T554-K557 PolarHBondContact OG1-N 3.1Å; T554-K558 PolarHBondContact O-N 2.79Å
555	T	95.1	Very high	96.5	Very high	4 Å²	4	62.2 Å²	62.2	3%	0.025	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-34	174.4	59.5	0	0	0	0	111	K541 E542 V544 K558 Q559 W560 V566	K541-T555 WeakPolarHBondContact O-CG2 3.39Å; K541-T555 PolarHBondContact O-OG1 3.12Å; E542-T555 PolarHBondContact O-N 3.23Å; E542-T555 PolarHBondContact O-OG1 2.9Å; V544-T555 HydrophobicContact CG2-CG2 4Å; T555-K558 CarbonylContact O-C 3.58Å; T555-K558 PolarHBondContact O-N 2.75Å; T555-Q559 PolarHBondContact O-N 3.26Å; T555-W560 PolarHBondContact O-N 3.39Å; T555-V566 HydrophobicContact CG2-CB 4.42Å; T555-V566 HydrophobicContact CG2-CG2 4.13Å
556	F	94	Very high	96.5	Very high	163 Å²	163	62.1 Å²	62.1	72%	0.715	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-51.1	172.7	-178.5	-104.5	0	0	0	112.1	T554 K558 Q559	T554-F556 PolarHBondContact O-N 3.45Å; F556-K558 PolarHBondContact O-N 3.05Å; F556-K558 VanDerWaalsContact O-N 3.13Å; F556-Q559 PolarHBondContact O-N 2.88Å
557	K	95.9	Very high	96.5	Very high	160 Å²	160	62 Å²	62	70%	0.696	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-22	177.2	-177.8	163.2	-176.6	163.6	0	113.1	L553 T554	L553-K557 HydrophobicContact CD1-CD 4.4Å; L553-K557 HydrophobicContact CD1-CG 4.35Å; T554-K557 PolarHBondContact O-N 3.46Å; T554-K557 WeakPolarHBondContact OG1-CB 3.22Å; T554-K557 PolarHBondContact OG1-N 3.1Å
558	K	97.1	Very high	96.5	Very high	33 Å²	33	62 Å²	62	14%	0.143	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-5.8	172.8	-93.4	-71.8	-177.6	175.6	0	115	V544 L553 T554 T555 F556 W560 E568 L573	V544-K558 HydrophobicContact CG2-CB 4.21Å; V544-K558 HydrophobicContact CG2-CG 4.25Å; L553-K558 HydrophobicContact CD1-CG 4.32Å; L553-K558 HydrophobicContact CD2-CG 3.93Å; L553-K558 HydrophobicContact CG-CG 4.17Å; T554-K558 PolarHBondContact O-N 2.79Å; T555-K558 CarbonylContact O-C 3.58Å; T555-K558 PolarHBondContact O-N 2.75Å; F556-K558 PolarHBondContact O-N 3.05Å; F556-K558 VanDerWaalsContact O-N 3.13Å; K558-W560 HydrophobicContact CB-CB 4.11Å; K558-W560 HydrophobicContact CB-CD2 3.92Å; K558-W560 HydrophobicContact CB-CE3 4.05Å; K558-W560 HydrophobicContact CB-CG 3.94Å; K558-W560 HydrophobicContact CD-CD2 4.07Å; K558-W560 HydrophobicContact CD-CE3 4.02Å; K558-W560 HydrophobicContact CD-CH2 4.12Å; K558-W560 HydrophobicContact CD-CZ2 4.11Å; K558-W560 HydrophobicContact CD-CZ3 4.06Å; K558-W560 HydrophobicContact CG-CD2 4.31Å; K558-W560 HydrophobicContact CG-CE3 4.08Å; K558-W560 HydrophobicContact CG-CZ3 4.44Å; K558-W560 PolarHBondContact O-N 2.74Å; K558-W560 VanDerWaalsContact O-N 3.16Å; K558-W560 PolarHBondContact O-NE1 2.8Å; K558-E568 WeakPolarHBondContact CE-OE1 3.45Å; K558-E568 IonicContact NZ-OE1 2.67Å; K558-E568 PolarHBondContact NZ-OE1 3.31Å; K558-L573 PolarHBondContact NZ-O 2.91Å
559	Q	97	Very high	96.5	Very high	176 Å²	176	59.6 Å²	59.6	82%	0.822	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	26.9	-170.3	-57.7	173.1	-59.1	0	0	113.1	T555 F556	T555-Q559 PolarHBondContact O-N 3.26Å; F556-Q559 PolarHBondContact O-N 2.88Å
560	W	96.8	Very high	96.5	Very high	43 Å²	43	56.9 Å²	56.9	16%	0.163	29%	0.287	C	S	.	.			trans	-103.3	32.5	-174.4	-71.8	-5.6	0	0	0	113.1	V544 T555 K558 S562 V566 E568 L573 N574 N576	V544-W560 HydrophobicContact CG1-CE3 4.39Å; V544-W560 HydrophobicContact CG1-CZ3 4.37Å; T555-W560 PolarHBondContact O-N 3.39Å; K558-W560 HydrophobicContact CB-CB 4.11Å; K558-W560 HydrophobicContact CB-CD2 3.92Å; K558-W560 HydrophobicContact CB-CE3 4.05Å; K558-W560 HydrophobicContact CB-CG 3.94Å; K558-W560 HydrophobicContact CD-CD2 4.07Å; K558-W560 HydrophobicContact CD-CE3 4.02Å; K558-W560 HydrophobicContact CD-CH2 4.12Å; K558-W560 HydrophobicContact CD-CZ2 4.11Å; K558-W560 HydrophobicContact CD-CZ3 4.06Å; K558-W560 HydrophobicContact CG-CD2 4.31Å; K558-W560 HydrophobicContact CG-CE3 4.08Å; K558-W560 HydrophobicContact CG-CZ3 4.44Å; K558-W560 PolarHBondContact O-N 2.74Å; K558-W560 VanDerWaalsContact O-N 3.16Å; K558-W560 PolarHBondContact O-NE1 2.8Å; W560-S562 PolarHBondContact O-N 3.12Å; W560-V566 HydrophobicContact CB-CG1 3.92Å; W560-V566 HydrophobicContact CD2-CG1 4.32Å; W560-V566 HydrophobicContact CE3-CG1 3.57Å; W560-V566 HydrophobicContact CZ3-CG1 4.43Å; W560-E568 HydrophobicContact CH2-CB 4.44Å; W560-E568 HydrophobicContact CH2-CG 4.06Å; W560-E568 HydrophobicContact CZ3-CB 3.96Å; W560-E568 HydrophobicContact CZ3-CG 4.01Å; W560-L573 VanDerWaalsContact CH2-O 3.22Å; W560-L573 WeakPolarHBondContact CH2-O 3.46Å; W560-L573 WeakPolarHBondContact CZ2-O 3.32Å; W560-N574 WeakPolarHBondContact CZ2-O 3.37Å; W560-N576 HydrophobicContact CD2-CB 3.99Å; W560-N576 HydrophobicContact CE3-CB 3.87Å; W560-N576 HydrophobicContact CH2-CB 3.91Å; W560-N576 HydrophobicContact CZ2-CB 4.07Å; W560-N576 HydrophobicContact CZ3-CB 3.82Å
561	T	92.3	Very high	96.5	Very high	96 Å²	96	53 Å²	53	59%	0.589	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-8.2	-174.7	55.9	0	0	0	0	114.8	K563	T561-K563 VanDerWaalsContact C-N 3.32Å; T561-K563 PolarHBondContact O-N 3.34Å
562	S	90.1	Very high	96.5	Very high	102 Å²	102	51.6 Å²	51.6	71%	0.713	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-7.4	-176.6	64.5	0	0	0	0	114.9	W560	W560-S562 PolarHBondContact O-N 3.12Å
563	K	92.9	Very high	96.5	Very high	64 Å²	64	49 Å²	49	28%	0.278	24%	0.244	S	C	.	.			trans	-125.9	154.4	179.2	-61.9	-65.4	-178.9	168.9	0	110	T561 V566 A579 L581	T561-K563 VanDerWaalsContact C-N 3.32Å; T561-K563 PolarHBondContact O-N 3.34Å; K563-V566 HydrophobicContact CB-CG2 4.08Å; K563-V566 WeakPolarHBondContact O-CG2 3.34Å; K563-A579 WeakPolarHBondContact CE-O 3.46Å; K563-A579 PolarHBondContact NZ-O 2.97Å; K563-L581 PolarHBondContact NZ-O 3.05Å
564	Y	94	Very high	96.5	Very high	40 Å²	40	54.3 Å²	54.3	16%	0.157	27%	0.272	C	S	.	.	S	Bend	trans	-90.1	-57.2	176.2	-178.3	-117.4	0	0	0	111.3	F271 F540 K541 V566 T586 M590	F271-Y564 HydrophobicContact CD1-CE1 4.27Å; F271-Y564 HydrophobicContact CD2-CE1 4.25Å; F271-Y564 AromaticContact CD2-CZ 3.86Å; F271-Y564 HydrophobicContact CE1-CD1 4.19Å; F271-Y564 AromaticContact CE1-CD2 3.97Å; F271-Y564 HydrophobicContact CE1-CD2 3.97Å; F271-Y564 AromaticContact CE1-CE1 3.98Å; F271-Y564 HydrophobicContact CE1-CE1 3.98Å; F271-Y564 AromaticContact CE1-CE2 3.77Å; F271-Y564 HydrophobicContact CE1-CE2 3.77Å; F271-Y564 HydrophobicContact CE1-CG 4.19Å; F271-Y564 AromaticContact CE1-CZ 3.78Å; F271-Y564 AromaticContact CE2-CE1 3.99Å; F271-Y564 HydrophobicContact CE2-CE1 3.99Å; F271-Y564 AromaticContact CE2-CE2 3.55Å; F271-Y564 HydrophobicContact CE2-CE2 3.55Å; F271-Y564 AromaticContact CE2-CZ 3.21Å; F271-Y564 WeakPolarHBondContact CE2-OH 3.31Å; F271-Y564 HydrophobicContact CG-CE1 4.42Å; F271-Y564 HydrophobicContact CZ-CD1 4.38Å; F271-Y564 AromaticContact CZ-CD2 3.68Å; F271-Y564 HydrophobicContact CZ-CD2 3.68Å; F271-Y564 AromaticContact CZ-CE1 3.86Å; F271-Y564 HydrophobicContact CZ-CE1 3.86Å; F271-Y564 AromaticContact CZ-CE2 3.06Å; F271-Y564 HydrophobicContact CZ-CE2 3.06Å; F271-Y564 HydrophobicContact CZ-CG 4.31Å; F271-Y564 AromaticContact CZ-CZ 3.17Å; F271-Y564 WeakPolarHBondContact CZ-OH 3.46Å; F540-Y564 CarbonylContact C-O 3.55Å; F540-Y564 HydrophobicContact CB-CD1 4.35Å; F540-Y564 HydrophobicContact CB-CD2 3.81Å; F540-Y564 HydrophobicContact CB-CE1 3.92Å; F540-Y564 HydrophobicContact CB-CE2 3.3Å; F540-Y564 HydrophobicContact CB-CG 4.29Å; F540-Y564 WeakPolarHBondContact CB-O 3.34Å; F540-Y564 HydrophobicContact CD2-CE1 4.03Å; F540-Y564 AromaticContact CD2-CZ 3.79Å; F540-Y564 WeakPolarHBondContact CD2-OH 3.44Å; F540-Y564 HydrophobicContact CG-CE1 4.06Å; F540-Y564 HydrophobicContact CG-CE2 4.28Å; F540-Y564 AromaticContact CG-CZ 3.85Å; K541-Y564 HydrophobicContact CB-CD2 4.38Å; K541-Y564 HydrophobicContact CB-CE2 4.29Å; Y564-V566 PolarHBondContact O-N 2.93Å; Y564-T586 HydrophobicContact CD1-CG2 3.69Å; Y564-T586 HydrophobicContact CG-CG2 4.36Å; Y564-M590 HydrophobicContact CE1-CE 4.22Å; Y564-M590 HydrophobicContact CE1-CG 4.08Å; Y564-M590 HydrophobicContact CE1-SD 4Å
565	I	97.9	Very high	96.5	Very high	3 Å²	3	55.2 Å²	55.2	2%	0.015	27%	0.274	C	S	.	.	S	Bend	trans	-79.4	115.1	170	-58.6	172.9	0	0	0	108.1	L457 F540 I567 G578 L581 T586 I589 M590	L457-I565 HydrophobicContact CD1-CG2 4.29Å; F540-I565 HydrophobicContact CD1-CB 4.38Å; F540-I565 HydrophobicContact CD1-CG1 4.05Å; F540-I565 HydrophobicContact CD1-CG2 4.48Å; F540-I565 HydrophobicContact CE1-CB 4.37Å; F540-I565 HydrophobicContact CE1-CG1 3.9Å; F540-I565 HydrophobicContact CE1-CG2 4.14Å; I565-I567 HydrophobicContact CG2-CD1 3.9Å; I565-I567 HydrophobicContact CG2-CG1 4.07Å; I565-G578 WeakPolarHBondContact O-CA 3.44Å; I565-L581 HydrophobicContact CB-CD1 3.93Å; I565-L581 HydrophobicContact CD1-CD1 4.04Å; I565-L581 HydrophobicContact CG1-CD1 4.46Å; I565-L581 HydrophobicContact CG2-CD1 4.41Å; I565-T586 HydrophobicContact CD1-CG2 4.37Å; I565-T586 HydrophobicContact CG1-CG2 4.38Å; I565-I589 HydrophobicContact CD1-CB 4.43Å; I565-I589 HydrophobicContact CD1-CG2 3.88Å; I565-M590 HydrophobicContact CD1-SD 4.24Å
566	V	98.7	Very high	96.7	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.276	C	S	.	.			trans	-125.6	119.4	-177.7	-172.6	0	0	0	0	109.1	V544 I545 T555 W560 K563 Y564	V544-V566 HydrophobicContact CB-CG1 4.38Å; V544-V566 HydrophobicContact CG1-CG1 4.07Å; V544-V566 HydrophobicContact CG2-CG1 3.84Å; I545-V566 PolarHBondContact N-O 2.71Å; T555-V566 HydrophobicContact CG2-CB 4.42Å; T555-V566 HydrophobicContact CG2-CG2 4.13Å; W560-V566 HydrophobicContact CB-CG1 3.92Å; W560-V566 HydrophobicContact CD2-CG1 4.32Å; W560-V566 HydrophobicContact CE3-CG1 3.57Å; W560-V566 HydrophobicContact CZ3-CG1 4.43Å; K563-V566 HydrophobicContact CB-CG2 4.08Å; K563-V566 WeakPolarHBondContact O-CG2 3.34Å; Y564-V566 PolarHBondContact O-N 2.93Å
567	I	98.9	Very high	96.9	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-134.5	117.1	-174.4	-54.2	166.5	0	0	0	108.1	L457 A461 L464 M465 I545 I565 N576 L577	L457-I567 HydrophobicContact CD1-CD1 4.13Å; L457-I567 HydrophobicContact CD2-CD1 4.48Å; A461-I567 HydrophobicContact CB-CD1 4Å; L464-I567 HydrophobicContact CB-CG2 4.21Å; L464-I567 HydrophobicContact CD1-CG2 4.08Å; M465-I567 HydrophobicContact CG-CD1 3.91Å; M465-I567 HydrophobicContact SD-CD1 3.98Å; I545-I567 HydrophobicContact CB-CB 4.38Å; I545-I567 HydrophobicContact CB-CG1 4.03Å; I545-I567 HydrophobicContact CB-CG2 4.34Å; I545-I567 HydrophobicContact CD1-CG1 4.06Å; I545-I567 HydrophobicContact CG1-CG1 4.5Å; I545-I567 HydrophobicContact CG2-CG1 4.4Å; I545-I567 HydrophobicContact CG2-CG2 4.2Å; I545-I567 WeakPolarHBondContact O-CA 3.48Å; I565-I567 HydrophobicContact CG2-CD1 3.9Å; I565-I567 HydrophobicContact CG2-CG1 4.07Å; I567-N576 PolarHBondContact N-OD1 3.24Å; I567-N576 CarbonylContact O-C 3.59Å; I567-N576 VanDerWaalsContact O-CA 3.29Å; I567-N576 WeakPolarHBondContact O-CA 3.3Å; I567-N576 PolarHBondContact O-OD1 2.98Å; I567-L577 HydrophobicContact CB-CB 4.25Å; I567-L577 HydrophobicContact CG2-CD1 4.04Å; I567-L577 PolarHBondContact O-N 2.8Å
568	E	98.9	Very high	96.9	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-82.4	135.4	175.3	-163.8	-172.5	-149.6	0	0	109.9	V544 I545 S546 R548 K558 W560 L573	V544-E568 HydrophobicContact CG1-CB 3.89Å; I545-E568 PolarHBondContact O-N 3.37Å; S546-E568 WeakPolarHBondContact CB-OE2 3.44Å; S546-E568 PolarHBondContact OG-OE2 2.8Å; R548-E568 IonicContact CZ-OE1 2.99Å; R548-E568 IonicContact CZ-OE2 2.69Å; R548-E568 IonicContact NE-OE1 2.78Å; R548-E568 PolarHBondContact NE-OE1 3.05Å; R548-E568 IonicContact NE-OE2 2.97Å; R548-E568 PolarHBondContact NE-OE2 3.3Å; R548-E568 IonicContact NH2-OE1 2.75Å; R548-E568 PolarHBondContact NH2-OE1 3.23Å; R548-E568 IonicContact NH2-OE2 2.75Å; R548-E568 PolarHBondContact NH2-OE2 3.4Å; K558-E568 WeakPolarHBondContact CE-OE1 3.45Å; K558-E568 IonicContact NZ-OE1 2.67Å; K558-E568 PolarHBondContact NZ-OE1 3.31Å; W560-E568 HydrophobicContact CH2-CB 4.44Å; W560-E568 HydrophobicContact CH2-CG 4.06Å; W560-E568 HydrophobicContact CZ3-CB 3.96Å; W560-E568 HydrophobicContact CZ3-CG 4.01Å; E568-L573 HydrophobicContact CG-CD2 4.49Å
569	D	98.7	Very high	96.9	Very high	8 Å²	8	42.3 Å²	42.3	4%	0.043	23%	0.228	C	C	.	.			trans	-67.5	140.9	165.6	-176.6	-85.3	0	0	0	110.3	Y460 F571 D572 H575	Y460-D569 VanDerWaalsContact CE1-OD2 3.22Å; Y460-D569 WeakPolarHBondContact CE1-OD2 3.46Å; Y460-D569 VanDerWaalsContact CZ-OD2 3.31Å; Y460-D569 PolarHBondContact OH-OD2 3.38Å; D569-F571 PolarHBondContact O-N 2.81Å; D569-F571 VanDerWaalsContact O-N 3.15Å; D569-F571 PolarHBondContact OD1-N 3.07Å; D569-D572 HydrophobicContact CB-CB 4.44Å; D569-D572 PolarHBondContact OD1-N 2.96Å; D569-H575 HydrophobicContact CB-CB 4.22Å; D569-H575 PolarHBondContact N-O 3.31Å; D569-H575 VanDerWaalsContact N-O 3.16Å
570	P	98.6	Very high	96.8	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.013	21%	0.207	C	C	.	.	S	Bend	trans	-57	-24.1	178.5	19.9	-34.4	0	0	0	115.3	L422 Y460 Q482 I547	L422-P570 HydrophobicContact CD2-CB 3.61Å; L422-P570 HydrophobicContact CD2-CG 3.81Å; Y460-P570 WeakPolarHBondContact OH-CD 3.36Å; Q482-P570 PolarHBondContact NE2-O 3.32Å; Q482-P570 VanDerWaalsContact OE1-CB 3.29Å; I547-P570 HydrophobicContact CD1-CB 4.15Å; I547-P570 HydrophobicContact CD1-CG 4.24Å; I547-P570 HydrophobicContact CG1-CB 4Å; I547-P570 HydrophobicContact CG1-CG 4.39Å
571	F	98.3	Very high	96.8	Very high	3 Å²	3	33.9 Å²	33.9	1%	0.013	20%	0.201	C	C	.	.	S	Bend	trans	-120.6	-53.3	-176.3	-59	-55	0	0	0	112.9	L415 H418 N419 L422 Q482 W498 I500 F502 D569 L573	L415-F571 HydrophobicContact CD2-CB 4.49Å; H418-F571 HydrophobicContact CB-CD2 4.2Å; H418-F571 HydrophobicContact CB-CE2 3.91Å; N419-F571 HydrophobicContact CB-CD2 4.12Å; N419-F571 HydrophobicContact CB-CE2 4.19Å; L422-F571 HydrophobicContact CB-CE2 4.2Å; L422-F571 HydrophobicContact CB-CZ 4.23Å; L422-F571 HydrophobicContact CD2-CE2 3.92Å; L422-F571 HydrophobicContact CD2-CZ 3.8Å; L422-F571 HydrophobicContact CG-CZ 4.5Å; Q482-F571 HydrophobicContact CG-CE1 4.44Å; Q482-F571 VanDerWaalsContact NE2-CE1 3.28Å; W498-F571 WeakPolarHBondContact CB-O 3.36Å; W498-F571 VanDerWaalsContact CE3-O 3.31Å; W498-F571 VanDerWaalsContact CG-O 3.22Å; I500-F571 HydrophobicContact CB-CD1 4.15Å; I500-F571 HydrophobicContact CB-CE1 4.14Å; I500-F571 HydrophobicContact CG2-CB 4.26Å; I500-F571 HydrophobicContact CG2-CD1 3.99Å; I500-F571 HydrophobicContact CG2-CD2 4.48Å; I500-F571 HydrophobicContact CG2-CE1 4.46Å; I500-F571 HydrophobicContact CG2-CG 4Å; I500-F571 WeakPolarHBondContact O-CE1 3.43Å; F502-F571 HydrophobicContact CD1-CE1 4.48Å; F502-F571 AromaticContact CD1-CZ 3.83Å; F502-F571 HydrophobicContact CD1-CZ 3.83Å; F502-F571 HydrophobicContact CE1-CZ 4.29Å; D569-F571 PolarHBondContact O-N 2.81Å; D569-F571 VanDerWaalsContact O-N 3.15Å; D569-F571 PolarHBondContact OD1-N 3.07Å; F571-L573 VanDerWaalsContact C-N 3.34Å; F571-L573 WeakPolarHBondContact O-CD2 3.26Å; F571-L573 WeakPolarHBondContact O-CG 3.29Å; F571-L573 PolarHBondContact O-N 3.33Å
572	D	97.8	Very high	96.9	Very high	44 Å²	44	30.8 Å²	30.8	24%	0.235	18%	0.183	C	C	.	.			trans	-77.2	88.2	172.1	-179.1	-6.1	0	0	0	109.5	L415 W498 D569 N574 H575	L415-D572 HydrophobicContact CD1-CB 4.34Å; W498-D572 WeakPolarHBondContact CZ2-OD1 3.27Å; D569-D572 HydrophobicContact CB-CB 4.44Å; D569-D572 PolarHBondContact OD1-N 2.96Å; D572-N574 PolarHBondContact O-N 2.86Å; D572-N574 WeakPolarHBondContact OD1-CA 3.49Å; D572-N574 WeakPolarHBondContact OD1-CB 3.5Å; D572-N574 PolarHBondContact OD1-N 3.15Å; D572-H575 HydrophobicContact CB-CB 4.01Å; D572-H575 PolarHBondContact O-N 2.94Å; D572-H575 PolarHBondContact OD1-N 3.21Å; D572-H575 VanDerWaalsContact OD1-N 3.15Å; D572-H575 WeakPolarHBondContact OD2-CB 3.49Å
573	L	98.1	Very high	96.9	Very high	36 Å²	36	32.8 Å²	32.8	19%	0.188	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-8.9	-175.5	-46.3	-172.6	0	0	0	112.4	W498 K558 W560 E568 F571	W498-L573 HydrophobicContact CE3-CB 4.16Å; W498-L573 HydrophobicContact CE3-CD1 4.26Å; W498-L573 HydrophobicContact CE3-CG 3.76Å; W498-L573 HydrophobicContact CH2-CB 3.75Å; W498-L573 HydrophobicContact CH2-CG 4.29Å; W498-L573 HydrophobicContact CZ3-CB 3.47Å; W498-L573 VanDerWaalsContact CZ3-CB 3.47Å; W498-L573 HydrophobicContact CZ3-CD1 3.95Å; W498-L573 HydrophobicContact CZ3-CG 3.54Å; K558-L573 PolarHBondContact NZ-O 2.91Å; W560-L573 VanDerWaalsContact CH2-O 3.22Å; W560-L573 WeakPolarHBondContact CH2-O 3.46Å; W560-L573 WeakPolarHBondContact CZ2-O 3.32Å; E568-L573 HydrophobicContact CG-CD2 4.49Å; F571-L573 VanDerWaalsContact C-N 3.34Å; F571-L573 WeakPolarHBondContact O-CD2 3.26Å; F571-L573 WeakPolarHBondContact O-CG 3.29Å; F571-L573 PolarHBondContact O-N 3.33Å
574	N	97.8	Very high	96.9	Very high	121 Å²	121	35 Å²	35	65%	0.647	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-13.5	172.2	-66.9	-20.9	0	0	0	112.2	W498 W560 D572 N576	W498-N574 HydrophobicContact CH2-CB 4.3Å; W498-N574 HydrophobicContact CZ2-CB 4.09Å; W560-N574 WeakPolarHBondContact CZ2-O 3.37Å; D572-N574 PolarHBondContact O-N 2.86Å; D572-N574 WeakPolarHBondContact OD1-CA 3.49Å; D572-N574 WeakPolarHBondContact OD1-CB 3.5Å; D572-N574 PolarHBondContact OD1-N 3.15Å; N574-N576 PolarHBondContact O-N 3.44Å
575	H	97.9	Very high	97	Very high	60 Å²	60	33.3 Å²	33.3	28%	0.278	18%	0.178	S	C	.	.			trans	-84.5	99.1	177	-163.5	-8	0	0	0	112.7	D569 D572 L577	D569-H575 HydrophobicContact CB-CB 4.22Å; D569-H575 PolarHBondContact N-O 3.31Å; D569-H575 VanDerWaalsContact N-O 3.16Å; D572-H575 HydrophobicContact CB-CB 4.01Å; D572-H575 PolarHBondContact O-N 2.94Å; D572-H575 PolarHBondContact OD1-N 3.21Å; D572-H575 VanDerWaalsContact OD1-N 3.15Å; D572-H575 WeakPolarHBondContact OD2-CB 3.49Å; H575-L577 PolarHBondContact O-N 3.19Å
576	N	98.3	Very high	96.9	Very high	14 Å²	14	33.8 Å²	33.8	8%	0.075	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-78.3	111.3	158.8	179.1	2.3	0	0	0	109.9	W560 I567 N574 G578 A579	W560-N576 HydrophobicContact CD2-CB 3.99Å; W560-N576 HydrophobicContact CE3-CB 3.87Å; W560-N576 HydrophobicContact CH2-CB 3.91Å; W560-N576 HydrophobicContact CZ2-CB 4.07Å; W560-N576 HydrophobicContact CZ3-CB 3.82Å; I567-N576 PolarHBondContact N-OD1 3.24Å; I567-N576 CarbonylContact O-C 3.59Å; I567-N576 VanDerWaalsContact O-CA 3.29Å; I567-N576 WeakPolarHBondContact O-CA 3.3Å; I567-N576 PolarHBondContact O-OD1 2.98Å; N574-N576 PolarHBondContact O-N 3.44Å; N576-G578 VanDerWaalsContact C-N 3.27Å; N576-G578 PolarHBondContact O-N 2.89Å; N576-G578 WeakPolarHBondContact OD1-CA 3.36Å; N576-G578 PolarHBondContact OD1-N 2.78Å; N576-A579 HydrophobicContact CB-CB 4.22Å; N576-A579 VanDerWaalsContact O-CB 3.25Å; N576-A579 WeakPolarHBondContact O-CB 3.48Å; N576-A579 PolarHBondContact O-N 3.38Å; N576-A579 PolarHBondContact OD1-N 2.83Å
577	L	98.2	Very high	96.6	Very high	25 Å²	25	36 Å²	36	13%	0.131	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-68.5	-26.8	178.1	-65.3	165.9	0	0	0	112.3	Y460 A461 L464 I567 H575 A579	Y460-L577 HydrophobicContact CD1-CD1 3.89Å; Y460-L577 HydrophobicContact CD1-CD2 4.24Å; Y460-L577 HydrophobicContact CE1-CD1 3.83Å; Y460-L577 HydrophobicContact CE1-CD2 4.37Å; A461-L577 HydrophobicContact CB-CB 4Å; A461-L577 HydrophobicContact CB-CD1 3.91Å; L464-L577 HydrophobicContact CD1-CD1 3.59Å; I567-L577 HydrophobicContact CB-CB 4.25Å; I567-L577 HydrophobicContact CG2-CD1 4.04Å; I567-L577 PolarHBondContact O-N 2.8Å; H575-L577 PolarHBondContact O-N 3.19Å; L577-A579 VanDerWaalsContact C-N 3.28Å; L577-A579 PolarHBondContact O-N 3.5Å
578	G	97.6	Very high	96.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-75.2	-10.3	175.3	0	0	0	0	0	114.7	I565 N576 G580 L581	I565-G578 WeakPolarHBondContact O-CA 3.44Å; N576-G578 VanDerWaalsContact C-N 3.27Å; N576-G578 PolarHBondContact O-N 2.89Å; N576-G578 WeakPolarHBondContact OD1-CA 3.36Å; N576-G578 PolarHBondContact OD1-N 2.78Å; G578-G580 PolarHBondContact O-N 3.35Å; G578-G580 VanDerWaalsContact O-N 3.11Å; G578-L581 WeakPolarHBondContact O-CB 3.46Å; G578-L581 PolarHBondContact O-N 2.87Å
579	A	96.9	Very high	96.5	Very high	50 Å²	50	36.9 Å²	36.9	41%	0.413	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-57.1	-29.8	-179.5	0	0	0	0	0	113.3	K563 N576 L577 L581	K563-A579 WeakPolarHBondContact CE-O 3.46Å; K563-A579 PolarHBondContact NZ-O 2.97Å; N576-A579 HydrophobicContact CB-CB 4.22Å; N576-A579 VanDerWaalsContact O-CB 3.25Å; N576-A579 WeakPolarHBondContact O-CB 3.48Å; N576-A579 PolarHBondContact O-N 3.38Å; N576-A579 PolarHBondContact OD1-N 2.83Å; L577-A579 VanDerWaalsContact C-N 3.28Å; L577-A579 PolarHBondContact O-N 3.5Å; A579-L581 VanDerWaalsContact C-N 3.27Å; A579-L581 PolarHBondContact O-N 3.37Å
580	G	94.6	Very high	96.4	Very high	38 Å²	38	37 Å²	37	39%	0.392	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-65.7	-20.2	177.7	0	0	0	0	0	115	G578 R634	G578-G580 PolarHBondContact O-N 3.35Å; G578-G580 VanDerWaalsContact O-N 3.11Å; G580-R634 PolarHBondContact O-NH1 3.14Å
581	L	96.6	Very high	96.2	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.021	22%	0.215	C	C	.	.			trans	-74.6	145.8	-169.5	-66	176.8	0	0	0	114.4	L457 K563 I565 G578 A579 M585 I589	L457-L581 HydrophobicContact CD1-CD1 4.48Å; L457-L581 HydrophobicContact CD2-CD1 3.97Å; L457-L581 HydrophobicContact CD2-CD2 4.3Å; L457-L581 HydrophobicContact CD2-CG 4.12Å; L457-L581 HydrophobicContact CG-CD1 4.07Å; L457-L581 HydrophobicContact CG-CD2 4.15Å; L457-L581 HydrophobicContact CG-CG 4.39Å; K563-L581 PolarHBondContact NZ-O 3.05Å; I565-L581 HydrophobicContact CB-CD1 3.93Å; I565-L581 HydrophobicContact CD1-CD1 4.04Å; I565-L581 HydrophobicContact CG1-CD1 4.46Å; I565-L581 HydrophobicContact CG2-CD1 4.41Å; G578-L581 WeakPolarHBondContact O-CB 3.46Å; G578-L581 PolarHBondContact O-N 2.87Å; A579-L581 VanDerWaalsContact C-N 3.27Å; A579-L581 PolarHBondContact O-N 3.37Å; L581-M585 HydrophobicContact CD2-CB 4.39Å; L581-M585 HydrophobicContact CD2-CG 3.73Å; L581-I589 HydrophobicContact CD1-CD1 4.22Å; L581-I589 HydrophobicContact CD2-CD1 3.81Å
582	S	94.3	Very high	96.2	Very high	31 Å²	31	41.1 Å²	41.1	22%	0.217	22%	0.215	C	C	.	.			trans	-98	157.6	166.9	79.1	0	0	0	0	110.6	K584 M585 T586	S582-K584 VanDerWaalsContact C-N 3.33Å; S582-K584 PolarHBondContact O-N 3.42Å; S582-M585 PolarHBondContact O-N 2.87Å; S582-M585 VanDerWaalsContact O-N 3.09Å; S582-M585 WeakPolarHBondContact OG-CB 3.49Å; S582-M585 PolarHBondContact OG-N 3.21Å; S582-T586 PolarHBondContact O-N 2.68Å; S582-T586 PolarHBondContact O-OG1 3.34Å
583	R	90.4	Very high	96.3	Very high	144 Å²	144	39.1 Å²	39.1	54%	0.543	20%	0.204	S	C	.	.	H	α-helix	trans	-55.8	-43.2	178.4	-74.4	-175.6	-83.1	171.4	-16.5	113.3	S255 L256 M585 T586 N587	S255-R583 PolarHBondContact O-NH1 3.45Å; L256-R583 PolarHBondContact O-NH1 2.93Å; L256-R583 VanDerWaalsContact O-NH1 3.14Å; R583-M585 PolarHBondContact O-N 3.21Å; R583-T586 PolarHBondContact O-N 2.99Å; R583-N587 PolarHBondContact O-N 2.98Å; R583-N587 PolarHBondContact O-OD1 2.96Å
584	K	92.1	Very high	96.2	Very high	111 Å²	111	38.8 Å²	38.8	48%	0.483	20%	0.202	S	C	.	.	H	α-helix	trans	-60.1	-45.6	175.2	-73.9	-173	177.4	177.5	0	112	S582 N587 F588 P631 D633	S582-K584 VanDerWaalsContact C-N 3.33Å; S582-K584 PolarHBondContact O-N 3.42Å; K584-N587 PolarHBondContact O-N 3.31Å; K584-F588 WeakPolarHBondContact O-CB 3.39Å; K584-F588 PolarHBondContact O-N 3Å; K584-P631 HydrophobicContact CB-CB 3.85Å; K584-P631 HydrophobicContact CB-CG 4.05Å; K584-P631 HydrophobicContact CD-CB 4.36Å; K584-D633 WeakPolarHBondContact CD-OD2 3.26Å; K584-D633 VanDerWaalsContact CE-OD2 3.29Å; K584-D633 WeakPolarHBondContact CE-OD2 3.48Å; K584-D633 VanDerWaalsContact NZ-CG 3.34Å; K584-D633 IonicContact NZ-OD1 3.58Å; K584-D633 PolarHBondContact NZ-OD1 2.68Å; K584-D633 IonicContact NZ-OD2 2.89Å; K584-D633 PolarHBondContact NZ-OD2 3.3Å
585	M	96.9	Very high	96.2	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.015	17%	0.173	C	C	.	.	H	α-helix	trans	-67.1	-40.5	179.7	-175.1	60.4	70.5	0	0	111.6	I449 L581 S582 R583 N587 F588 I589 A630 P631	I449-M585 HydrophobicContact CG2-SD 4.29Å; L581-M585 HydrophobicContact CD2-CB 4.39Å; L581-M585 HydrophobicContact CD2-CG 3.73Å; S582-M585 PolarHBondContact O-N 2.87Å; S582-M585 VanDerWaalsContact O-N 3.09Å; S582-M585 WeakPolarHBondContact OG-CB 3.49Å; S582-M585 PolarHBondContact OG-N 3.21Å; R583-M585 PolarHBondContact O-N 3.21Å; M585-N587 PolarHBondContact O-N 2.72Å; M585-F588 PolarHBondContact O-N 3.25Å; M585-F588 HydrophobicContact SD-CD1 4.48Å; M585-I589 HydrophobicContact CG-CD1 3.93Å; M585-I589 HydrophobicContact CG-CG1 4.44Å; M585-I589 WeakPolarHBondContact O-CB 3.42Å; M585-I589 VanDerWaalsContact O-CG1 3.27Å; M585-I589 WeakPolarHBondContact O-CG1 3.31Å; M585-I589 PolarHBondContact O-N 2.93Å; M585-I589 HydrophobicContact SD-CD1 4.38Å; M585-I589 HydrophobicContact SD-CG1 4.37Å; M585-A630 HydrophobicContact CE-CB 4.29Å; M585-P631 VanDerWaalsContact CE-O 3.29Å; M585-P631 WeakPolarHBondContact CE-O 3.42Å
586	T	96.2	Very high	96.2	Very high	14 Å²	14	30.4 Å²	30.4	9%	0.086	16%	0.16	C	C	.	.	H	α-helix	trans	-57.1	-49.3	171.5	-61.9	0	0	0	0	111.4	Y564 I565 S582 R583 F588 I589 M590	Y564-T586 HydrophobicContact CD1-CG2 3.69Å; Y564-T586 HydrophobicContact CG-CG2 4.36Å; I565-T586 HydrophobicContact CD1-CG2 4.37Å; I565-T586 HydrophobicContact CG1-CG2 4.38Å; S582-T586 PolarHBondContact O-N 2.68Å; S582-T586 PolarHBondContact O-OG1 3.34Å; R583-T586 PolarHBondContact O-N 2.99Å; T586-F588 VanDerWaalsContact C-N 3.31Å; T586-F588 PolarHBondContact O-N 3.49Å; T586-I589 PolarHBondContact O-N 3.39Å; T586-M590 HydrophobicContact CG2-CG 4.5Å; T586-M590 WeakPolarHBondContact O-CG 3.46Å; T586-M590 PolarHBondContact O-N 3.29Å
587	N	92.6	Very high	96.2	Very high	45 Å²	45	30.3 Å²	30.3	24%	0.241	16%	0.158	C	C	.	.	H	α-helix	trans	-61.8	-38.7	178.5	-73.5	13.9	0	0	0	112.1	E269 R583 K584 M585 M590 K591	E269-N587 PolarHBondContact O-ND2 2.74Å; R583-N587 PolarHBondContact O-N 2.98Å; R583-N587 PolarHBondContact O-OD1 2.96Å; K584-N587 PolarHBondContact O-N 3.31Å; M585-N587 PolarHBondContact O-N 2.72Å; N587-M590 PolarHBondContact O-N 2.93Å; N587-K591 WeakPolarHBondContact O-CB 3.42Å; N587-K591 PolarHBondContact O-N 3.5Å
588	F	96.1	Very high	96.2	Very high	18 Å²	18	33 Å²	33	8%	0.079	17%	0.166	C	C	.	.	H	α-helix	trans	-66.9	-43.2	176.6	-171.1	-96.7	0	0	0	112.4	C447 I449 K584 M585 T586 K591 A592 T625 E628 A630 P631	C447-F588 WeakPolarHBondContact O-CE1 3.34Å; I449-F588 HydrophobicContact CG2-CD1 3.57Å; I449-F588 HydrophobicContact CG2-CE1 3.7Å; K584-F588 WeakPolarHBondContact O-CB 3.39Å; K584-F588 PolarHBondContact O-N 3Å; M585-F588 PolarHBondContact O-N 3.25Å; M585-F588 HydrophobicContact SD-CD1 4.48Å; T586-F588 VanDerWaalsContact C-N 3.31Å; T586-F588 PolarHBondContact O-N 3.49Å; F588-K591 PolarHBondContact O-N 3.34Å; F588-A592 PolarHBondContact O-N 3.4Å; F588-T625 HydrophobicContact CE1-CG2 4.22Å; F588-T625 HydrophobicContact CE2-CG2 4.48Å; F588-T625 HydrophobicContact CZ-CG2 3.69Å; F588-E628 HydrophobicContact CE2-CB 4.1Å; F588-A630 HydrophobicContact CD1-CB 4.37Å; F588-A630 HydrophobicContact CE1-CB 3.82Å; F588-A630 HydrophobicContact CZ-CB 4.27Å; F588-P631 HydrophobicContact CB-CG 4.02Å; F588-P631 HydrophobicContact CD2-CG 4.34Å; F588-P631 HydrophobicContact CG-CG 4.21Å
589	I	98.1	Very high	96.2	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.015	17%	0.17	C	C	.	.	H	α-helix	trans	-60.2	-48.9	172.9	-69	165.5	0	0	0	110.6	I449 L457 I565 L581 M585 T586 K591 A592 F593	I449-I589 HydrophobicContact CB-CG1 4Å; I449-I589 HydrophobicContact CD1-CG1 4.21Å; I449-I589 HydrophobicContact CD1-CG2 4.46Å; I449-I589 HydrophobicContact CG2-CG1 3.82Å; L457-I589 HydrophobicContact CG-CD1 4.38Å; I565-I589 HydrophobicContact CD1-CB 4.43Å; I565-I589 HydrophobicContact CD1-CG2 3.88Å; L581-I589 HydrophobicContact CD1-CD1 4.22Å; L581-I589 HydrophobicContact CD2-CD1 3.81Å; M585-I589 HydrophobicContact CG-CD1 3.93Å; M585-I589 HydrophobicContact CG-CG1 4.44Å; M585-I589 WeakPolarHBondContact O-CB 3.42Å; M585-I589 VanDerWaalsContact O-CG1 3.27Å; M585-I589 WeakPolarHBondContact O-CG1 3.31Å; M585-I589 PolarHBondContact O-N 2.93Å; M585-I589 HydrophobicContact SD-CD1 4.38Å; M585-I589 HydrophobicContact SD-CG1 4.37Å; T586-I589 PolarHBondContact O-N 3.39Å; I589-K591 PolarHBondContact O-N 2.94Å; I589-A592 PolarHBondContact O-N 2.87Å; I589-F593 HydrophobicContact CG2-CD2 4.11Å; I589-F593 HydrophobicContact CG2-CE2 4.12Å; I589-F593 WeakPolarHBondContact O-CD2 3.32Å; I589-F593 PolarHBondContact O-N 3.49Å
590	M	96.8	Very high	96.3	Very high	12 Å²	12	31.1 Å²	31.1	6%	0.059	15%	0.15	C	C	.	.	H	α-helix	trans	-63.6	-40.5	179.9	-65	-51.6	-62.8	0	0	111.9	Y534 F540 Y564 I565 T586 N587 F593 I594	Y534-M590 WeakPolarHBondContact O-CE 3.5Å; F540-M590 HydrophobicContact CD2-CE 4.32Å; F540-M590 HydrophobicContact CE2-CE 3.8Å; F540-M590 HydrophobicContact CE2-SD 4.13Å; F540-M590 HydrophobicContact CZ-CE 4.5Å; F540-M590 HydrophobicContact CZ-SD 4.32Å; Y564-M590 HydrophobicContact CE1-CE 4.22Å; Y564-M590 HydrophobicContact CE1-CG 4.08Å; Y564-M590 HydrophobicContact CE1-SD 4Å; I565-M590 HydrophobicContact CD1-SD 4.24Å; T586-M590 HydrophobicContact CG2-CG 4.5Å; T586-M590 WeakPolarHBondContact O-CG 3.46Å; T586-M590 PolarHBondContact O-N 3.29Å; N587-M590 PolarHBondContact O-N 2.93Å; M590-F593 PolarHBondContact O-N 3.09Å; M590-I594 VanDerWaalsContact O-CG1 3.26Å; M590-I594 WeakPolarHBondContact O-CG1 3.26Å; M590-I594 PolarHBondContact O-N 3.3Å
591	K	95.5	Very high	96.5	Very high	89 Å²	89	29.3 Å²	29.3	39%	0.387	13%	0.131	S	C	.	.	H	α-helix	trans	-56.3	-49.5	171.1	-89.6	-172.5	156	-134.8	0	112.1	N587 F588 I589 F593 I594 N595 E626	N587-K591 WeakPolarHBondContact O-CB 3.42Å; N587-K591 PolarHBondContact O-N 3.5Å; F588-K591 PolarHBondContact O-N 3.34Å; I589-K591 PolarHBondContact O-N 2.94Å; K591-F593 VanDerWaalsContact C-N 3.32Å; K591-F593 PolarHBondContact O-N 3.32Å; K591-I594 PolarHBondContact O-N 3.2Å; K591-I594 VanDerWaalsContact O-N 3.14Å; K591-N595 WeakPolarHBondContact O-CB 3.29Å; K591-N595 VanDerWaalsContact O-CG 3.32Å; K591-N595 PolarHBondContact O-N 3.21Å; K591-N595 PolarHBondContact O-ND2 3.34Å; K591-E626 IonicContact NZ-OE1 3.2Å; K591-E626 PolarHBondContact NZ-OE1 3.38Å; K591-E626 IonicContact NZ-OE2 2.72Å; K591-E626 PolarHBondContact NZ-OE2 3.49Å
592	A	98.2	Very high	96.5	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.008	14%	0.141	C	C	.	.	H	α-helix	trans	-57.3	-45.1	178.9	0	0	0	0	0	111.5	F443 C447 I449 F588 I589 I594 N595 G596	F443-A592 WeakPolarHBondContact CZ-O 3.44Å; C447-A592 HydrophobicContact CB-CB 4.19Å; I449-A592 HydrophobicContact CD1-CB 4.17Å; F588-A592 PolarHBondContact O-N 3.4Å; I589-A592 PolarHBondContact O-N 2.87Å; A592-I594 PolarHBondContact O-N 2.89Å; A592-N595 PolarHBondContact O-N 2.92Å; A592-G596 PolarHBondContact O-N 2.84Å
593	F	98.4	Very high	96.6	Very high	3 Å²	3	32.3 Å²	32.3	1%	0.013	15%	0.148	C	C	.	.	H	α-helix	trans	-62.9	-39.8	175.6	-87	-109.8	0	0	0	113.1	M440 F443 I449 Y462 M465 L530 L531 Y534 T535 I589 M590 K591 G596 R597	M440-F593 HydrophobicContact CE-CE1 3.94Å; M440-F593 HydrophobicContact CE-CZ 3.8Å; M440-F593 HydrophobicContact SD-CZ 3.98Å; F443-F593 HydrophobicContact CD1-CE2 4.48Å; F443-F593 AromaticContact CE1-CD2 3.82Å; F443-F593 HydrophobicContact CE1-CD2 3.82Å; F443-F593 AromaticContact CE1-CE2 3.83Å; F443-F593 HydrophobicContact CE1-CE2 3.83Å; F443-F593 HydrophobicContact CE1-CG 4.22Å; F443-F593 HydrophobicContact CE1-CZ 4.25Å; I449-F593 HydrophobicContact CD1-CE2 4.5Å; Y462-F593 HydrophobicContact CD1-CZ 4.35Å; Y462-F593 AromaticContact CE1-CE2 3.96Å; Y462-F593 HydrophobicContact CE1-CE2 3.96Å; Y462-F593 HydrophobicContact CE1-CZ 4.09Å; M465-F593 HydrophobicContact CE-CZ 4.36Å; L530-F593 HydrophobicContact CD2-CE1 4.18Å; L531-F593 HydrophobicContact CD2-CD1 4.19Å; Y534-F593 HydrophobicContact CD2-CE1 4.44Å; T535-F593 HydrophobicContact CG2-CB 4Å; I589-F593 HydrophobicContact CG2-CD2 4.11Å; I589-F593 HydrophobicContact CG2-CE2 4.12Å; I589-F593 WeakPolarHBondContact O-CD2 3.32Å; I589-F593 PolarHBondContact O-N 3.49Å; M590-F593 PolarHBondContact O-N 3.09Å; K591-F593 VanDerWaalsContact C-N 3.32Å; K591-F593 PolarHBondContact O-N 3.32Å; F593-G596 PolarHBondContact O-N 3.42Å; F593-R597 WeakPolarHBondContact O-CB 3.48Å; F593-R597 PolarHBondContact O-N 3.4Å
594	I	97	Very high	96.8	Very high	29 Å²	29	28.9 Å²	28.9	15%	0.149	14%	0.142	C	C	.	.	H	α-helix	trans	-66.4	-43.3	175.8	-69.2	166.2	0	0	0	111.5	I274 L276 T535 M590 K591 A592 R597 R598	I274-I594 HydrophobicContact CD1-CD1 4.17Å; I274-I594 HydrophobicContact CG2-CD1 4.32Å; L276-I594 HydrophobicContact CD2-CB 4.43Å; L276-I594 HydrophobicContact CD2-CD1 4.12Å; L276-I594 HydrophobicContact CD2-CG1 3.89Å; L276-I594 HydrophobicContact CD2-CG2 3.76Å; T535-I594 HydrophobicContact CG2-CG1 3.74Å; M590-I594 VanDerWaalsContact O-CG1 3.26Å; M590-I594 WeakPolarHBondContact O-CG1 3.26Å; M590-I594 PolarHBondContact O-N 3.3Å; K591-I594 PolarHBondContact O-N 3.2Å; K591-I594 VanDerWaalsContact O-N 3.14Å; A592-I594 PolarHBondContact O-N 2.89Å; I594-R597 WeakPolarHBondContact O-CB 3.5Å; I594-R597 PolarHBondContact O-N 3.36Å; I594-R598 PolarHBondContact O-N 2.87Å
595	N	97.8	Very high	96.9	Very high	5 Å²	5	33.5 Å²	33.5	3%	0.027	16%	0.162	C	C	.	.	H	α-helix	trans	-66.5	-39.3	175.9	-68.7	-27.6	0	0	0	111.1	K591 A592 R598 V599 L624 E626	K591-N595 WeakPolarHBondContact O-CB 3.29Å; K591-N595 VanDerWaalsContact O-CG 3.32Å; K591-N595 PolarHBondContact O-N 3.21Å; K591-N595 PolarHBondContact O-ND2 3.34Å; A592-N595 PolarHBondContact O-N 2.92Å; N595-R598 WeakPolarHBondContact O-CB 3.27Å; N595-R598 PolarHBondContact O-N 3.32Å; N595-R598 VanDerWaalsContact OD1-CZ 3.27Å; N595-R598 PolarHBondContact OD1-NH1 2.94Å; N595-R598 PolarHBondContact OD1-NH2 2.83Å; N595-V599 WeakPolarHBondContact O-CG2 3.36Å; N595-V599 PolarHBondContact O-N 3.5Å; N595-L624 HydrophobicContact CB-CD2 4.44Å; N595-L624 VanDerWaalsContact CB-O 3.32Å; N595-L624 WeakPolarHBondContact CB-O 3.41Å; N595-L624 PolarHBondContact ND2-O 3.46Å; N595-E626 PolarHBondContact ND2-OE1 3.3Å
596	G	98.4	Very high	96.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-57.6	-51.1	169.8	0	0	0	0	0	112.1	A592 F593 R598 V599 F600	A592-G596 PolarHBondContact O-N 2.84Å; F593-G596 PolarHBondContact O-N 3.42Å; G596-R598 PolarHBondContact O-N 3.2Å; G596-V599 PolarHBondContact O-N 3.32Å; G596-V599 VanDerWaalsContact O-N 3.15Å; G596-F600 WeakPolarHBondContact O-CB 3.42Å; G596-F600 VanDerWaalsContact O-CD2 3.31Å; G596-F600 WeakPolarHBondContact O-CD2 3.46Å; G596-F600 PolarHBondContact O-N 3.23Å
597	R	98.4	Very high	96.5	Very high	12 Å²	12	35 Å²	35	5%	0.045	18%	0.175	C	C	.	.	H	α-helix	trans	-53.1	-39.5	174.2	174	-176	172.2	-77.2	6.4	112.2	E277 L279 L531 R532 T535 E536 F593 I594 G601	E277-R597 VanDerWaalsContact O-CZ 3.3Å; E277-R597 PolarHBondContact O-NH1 3.42Å; E277-R597 PolarHBondContact O-NH2 2.88Å; L279-R597 HydrophobicContact CD1-CG 4.38Å; L279-R597 HydrophobicContact CD2-CG 4.38Å; L531-R597 HydrophobicContact CB-CB 4.28Å; R532-R597 HydrophobicContact CG-CG 4.37Å; T535-R597 VanDerWaalsContact OG1-CD 3.27Å; T535-R597 WeakPolarHBondContact OG1-CD 3.39Å; E536-R597 IonicContact OE1-CZ 3.21Å; E536-R597 IonicContact OE1-NE 2.9Å; E536-R597 PolarHBondContact OE1-NE 2.99Å; E536-R597 IonicContact OE1-NH2 2.68Å; E536-R597 PolarHBondContact OE1-NH2 3.26Å; F593-R597 WeakPolarHBondContact O-CB 3.48Å; F593-R597 PolarHBondContact O-N 3.4Å; I594-R597 WeakPolarHBondContact O-CB 3.5Å; I594-R597 PolarHBondContact O-N 3.36Å; R597-G601 VanDerWaalsContact O-CA 3.26Å; R597-G601 WeakPolarHBondContact O-CA 3.35Å; R597-G601 PolarHBondContact O-N 3.1Å
598	R	97.8	Very high	96.4	Very high	80 Å²	80	35.5 Å²	35.5	30%	0.302	18%	0.18	S	C	.	.	H	α-helix	trans	-65.3	-53.9	175	-174.2	177.5	61.6	-109.3	-5.1	111.5	E277 I594 N595 G596 G601 I602	E277-R598 WeakPolarHBondContact OE2-CD 3.45Å; I594-R598 PolarHBondContact O-N 2.87Å; N595-R598 WeakPolarHBondContact O-CB 3.27Å; N595-R598 PolarHBondContact O-N 3.32Å; N595-R598 VanDerWaalsContact OD1-CZ 3.27Å; N595-R598 PolarHBondContact OD1-NH1 2.94Å; N595-R598 PolarHBondContact OD1-NH2 2.83Å; G596-R598 PolarHBondContact O-N 3.2Å; R598-G601 PolarHBondContact O-N 3.36Å; R598-I602 HydrophobicContact CG-CD1 4.12Å; R598-I602 HydrophobicContact CG-CG1 4.5Å; R598-I602 WeakPolarHBondContact O-CB 3.26Å; R598-I602 PolarHBondContact O-N 3.14Å
599	V	98.1	Very high	96.3	Very high	11 Å²	11	43.8 Å²	43.8	7%	0.067	22%	0.216	C	C	.	.	H	α-helix	trans	-64.9	-41.5	-175.7	175.5	0	0	0	0	112.8	N595 G596 Y617 F618 V623 L624	N595-V599 WeakPolarHBondContact O-CG2 3.36Å; N595-V599 PolarHBondContact O-N 3.5Å; G596-V599 PolarHBondContact O-N 3.32Å; G596-V599 VanDerWaalsContact O-N 3.15Å; V599-Y617 HydrophobicContact CG1-CE1 4.29Å; V599-F618 HydrophobicContact CG1-CD1 4.02Å; V599-V623 HydrophobicContact CG2-CG1 3.53Å; V599-L624 HydrophobicContact CB-CD2 4.45Å; V599-L624 HydrophobicContact CG2-CD2 4.17Å
600	F	98.4	Very high	96.1	Very high	1 Å²	1	49.4 Å²	49.4	0%	0.004	25%	0.246	C	C	.	.	H	α-helix	trans	-83.9	-16.2	178.1	-70.6	-80.6	0	0	0	113.7	F286 L290 V293 F443 W527 L528 L531 G596 F618 F619	F286-F600 WeakPolarHBondContact CE1-O 3.47Å; L290-F600 HydrophobicContact CD2-CB 4.5Å; L290-F600 HydrophobicContact CD2-CD1 3.89Å; V293-F600 HydrophobicContact CG1-CE1 4.38Å; F443-F600 HydrophobicContact CD2-CE2 4.39Å; W527-F600 AromaticContact CD1-CD1 3.61Å; W527-F600 AromaticContact CD1-CE1 3.91Å; W527-F600 AromaticContact CD1-CG 3.94Å; W527-F600 HydrophobicContact CZ2-CD2 4.38Å; W527-F600 HydrophobicContact CZ2-CE2 4.02Å; W527-F600 HydrophobicContact CZ2-CZ 4.28Å; W527-F600 AromaticContact NE1-CD1 3.19Å; W527-F600 AromaticContact NE1-CD2 3.5Å; W527-F600 AromaticContact NE1-CE1 3.25Å; W527-F600 AromaticContact NE1-CE2 3.59Å; W527-F600 AromaticContact NE1-CG 3.32Å; W527-F600 VanDerWaalsContact NE1-CG 3.32Å; W527-F600 AromaticContact NE1-CZ 3.46Å; L528-F600 HydrophobicContact CD1-CB 4.43Å; L531-F600 HydrophobicContact CD1-CB 3.8Å; L531-F600 HydrophobicContact CD1-CD2 3.65Å; L531-F600 HydrophobicContact CD1-CG 3.94Å; G596-F600 WeakPolarHBondContact O-CB 3.42Å; G596-F600 VanDerWaalsContact O-CD2 3.31Å; G596-F600 WeakPolarHBondContact O-CD2 3.46Å; G596-F600 PolarHBondContact O-N 3.23Å; F600-F618 HydrophobicContact CD1-CB 4.46Å; F600-F618 AromaticContact CD1-CD1 3.35Å; F600-F618 HydrophobicContact CD1-CD1 3.35Å; F600-F618 AromaticContact CD1-CE1 3.77Å; F600-F618 HydrophobicContact CD1-CE1 3.77Å; F600-F618 HydrophobicContact CD1-CG 4.06Å; F600-F618 HydrophobicContact CE1-CB 3.61Å; F600-F618 AromaticContact CE1-CD1 3.38Å; F600-F618 HydrophobicContact CE1-CD1 3.38Å; F600-F618 HydrophobicContact CE1-CE1 4.2Å; F600-F618 AromaticContact CE1-CG 3.62Å; F600-F618 HydrophobicContact CE1-CG 3.62Å; F600-F618 WeakPolarHBondContact CE2-O 3.24Å; F600-F618 HydrophobicContact CG-CD1 4.02Å; F600-F618 HydrophobicContact CG-CE1 4.43Å; F600-F618 HydrophobicContact CZ-CB 3.69Å; F600-F618 HydrophobicContact CZ-CD1 4.05Å; F600-F618 HydrophobicContact CZ-CG 4.18Å; F600-F618 WeakPolarHBondContact CZ-O 3.23Å; F600-F619 HydrophobicContact CE1-CZ 4.34Å; F600-F619 HydrophobicContact CE2-CE1 4.25Å; F600-F619 HydrophobicContact CZ-CD1 4.08Å; F600-F619 AromaticContact CZ-CE1 3.58Å; F600-F619 HydrophobicContact CZ-CE1 3.58Å; F600-F619 HydrophobicContact CZ-CE2 4.37Å; F600-F619 AromaticContact CZ-CZ 3.74Å; F600-F619 HydrophobicContact CZ-CZ 3.74Å
601	G	97.9	Very high	96	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-107.9	-16.8	-175.5	0	0	0	0	0	115.9	R597 R598	R597-G601 VanDerWaalsContact O-CA 3.26Å; R597-G601 WeakPolarHBondContact O-CA 3.35Å; R597-G601 PolarHBondContact O-N 3.1Å; R598-G601 PolarHBondContact O-N 3.36Å
602	I	97.8	Very high	95.9	Very high	44 Å²	44	55.3 Å²	55.3	23%	0.226	28%	0.284	C	S	.	.	S	Bend	trans	-121.1	105	-177.9	-51.8	-167.4	0	0	0	109.9	E277 L279 P280 R598 V604	E277-I602 HydrophobicContact CB-CD1 4.38Å; L279-I602 HydrophobicContact CD2-CD1 4.17Å; L279-I602 HydrophobicContact CD2-CG1 3.66Å; P280-I602 HydrophobicContact CG-CG2 4.23Å; R598-I602 HydrophobicContact CG-CD1 4.12Å; R598-I602 HydrophobicContact CG-CG1 4.5Å; R598-I602 WeakPolarHBondContact O-CB 3.26Å; R598-I602 PolarHBondContact O-N 3.14Å; I602-V604 PolarHBondContact O-N 3.35Å
603	P	95.8	Very high	95.8	Very high	54 Å²	54	56.6 Å²	56.6	35%	0.351	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-65.3	121.9	177.7	-22	33.9	0	0	0	112.5	L282 F286	L282-P603 HydrophobicContact CD2-CG 3.67Å; F286-P603 HydrophobicContact CD1-CG 3.95Å; F286-P603 HydrophobicContact CD2-CB 3.88Å; F286-P603 HydrophobicContact CD2-CG 3.89Å; F286-P603 HydrophobicContact CE1-CG 3.99Å; F286-P603 HydrophobicContact CE2-CB 3.83Å; F286-P603 HydrophobicContact CE2-CG 3.95Å; F286-P603 HydrophobicContact CG-CB 4.37Å; F286-P603 HydrophobicContact CG-CG 3.88Å; F286-P603 HydrophobicContact CZ-CB 4.26Å; F286-P603 HydrophobicContact CZ-CG 3.99Å
604	V	94.8	Very high	95.8	Very high	71 Å²	71	60 Å²	60	43%	0.43	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-85.1	143.4	-179.8	175.7	0	0	0	0	111.7	I602 G606 F607 Y617	I602-V604 PolarHBondContact O-N 3.35Å; V604-G606 PolarHBondContact O-N 2.87Å; V604-F607 WeakPolarHBondContact O-CB 3.37Å; V604-F607 PolarHBondContact O-N 3.23Å; V604-Y617 HydrophobicContact CB-CE2 4.42Å; V604-Y617 VanDerWaalsContact CG2-OH 3.23Å; V604-Y617 WeakPolarHBondContact CG2-OH 3.21Å
605	K	92.9	Very high	95.8	Very high	208 Å²	208	60.3 Å²	60.3	90%	0.904	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	129.9	175.6	-178.4	-175.8	176	-173.7	0	110.6
606	G	91	Very high	95.7	Very high	25 Å²	25	66.5 Å²	66.5	26%	0.258	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.9	-28.7	-177.9	0	0	0	0	0	113.6	V604 K609 D610	V604-G606 PolarHBondContact O-N 2.87Å; G606-K609 PolarHBondContact O-N 3.03Å; G606-D610 WeakPolarHBondContact CA-OD2 3.29Å; G606-D610 PolarHBondContact O-N 2.89Å; G606-D610 VanDerWaalsContact O-N 3.12Å
607	F	94.8	Very high	95.7	Very high	25 Å²	25	67.8 Å²	67.8	11%	0.11	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	138.5	174	-170.7	-95.5	0	0	0	111.5	F286 I289 V604 Y611 K614 Y617 F618	F286-F607 HydrophobicContact CD2-CD1 4.36Å; F286-F607 HydrophobicContact CD2-CE1 4.37Å; F286-F607 AromaticContact CE2-CD1 3.96Å; F286-F607 HydrophobicContact CE2-CD1 3.96Å; F286-F607 AromaticContact CE2-CE1 3.97Å; F286-F607 HydrophobicContact CE2-CE1 3.97Å; I289-F607 HydrophobicContact CD1-CE1 4.25Å; I289-F607 HydrophobicContact CG2-CE1 3.91Å; I289-F607 HydrophobicContact CG2-CZ 4.03Å; V604-F607 WeakPolarHBondContact O-CB 3.37Å; V604-F607 PolarHBondContact O-N 3.23Å; F607-Y611 HydrophobicContact CB-CD2 4.16Å; F607-Y611 HydrophobicContact CB-CE2 4.11Å; F607-Y611 AromaticContact CD2-CD2 3.69Å; F607-Y611 HydrophobicContact CD2-CD2 3.69Å; F607-Y611 HydrophobicContact CD2-CE2 4.2Å; F607-Y611 HydrophobicContact CD2-CG 4.04Å; F607-Y611 HydrophobicContact CG-CD2 4.41Å; F607-K614 HydrophobicContact CZ-CG 4.32Å; F607-Y617 AromaticContact CD2-CD1 3.65Å; F607-Y617 HydrophobicContact CD2-CD1 3.65Å; F607-Y617 AromaticContact CD2-CD2 3.76Å; F607-Y617 HydrophobicContact CD2-CD2 3.76Å; F607-Y617 AromaticContact CD2-CE1 3.81Å; F607-Y617 HydrophobicContact CD2-CE1 3.81Å; F607-Y617 AromaticContact CD2-CE2 3.89Å; F607-Y617 HydrophobicContact CD2-CE2 3.89Å; F607-Y617 AromaticContact CD2-CG 3.64Å; F607-Y617 HydrophobicContact CD2-CG 3.64Å; F607-Y617 AromaticContact CD2-CZ 3.93Å; F607-Y617 HydrophobicContact CE1-CE1 4.47Å; F607-Y617 AromaticContact CE2-CD1 3.29Å; F607-Y617 HydrophobicContact CE2-CD1 3.29Å; F607-Y617 HydrophobicContact CE2-CD2 4.12Å; F607-Y617 AromaticContact CE2-CE1 3.8Å; F607-Y617 HydrophobicContact CE2-CE1 3.8Å; F607-Y617 AromaticContact CE2-CG 3.49Å; F607-Y617 HydrophobicContact CE2-CG 3.49Å; F607-Y617 VanDerWaalsContact CE2-CG 3.49Å; F607-Y617 HydrophobicContact CG-CD1 4.47Å; F607-Y617 HydrophobicContact CG-CE1 4.21Å; F607-Y617 HydrophobicContact CG-CE2 4.39Å; F607-Y617 AromaticContact CZ-CD1 3.83Å; F607-Y617 HydrophobicContact CZ-CD1 3.83Å; F607-Y617 HydrophobicContact CZ-CE1 4.14Å; F607-Y617 HydrophobicContact CZ-CG 4.45Å; F607-F618 AromaticContact CE1-CE2 3.93Å; F607-F618 HydrophobicContact CE1-CE2 3.93Å; F607-F618 AromaticContact CE1-CZ 3.9Å; F607-F618 HydrophobicContact CE1-CZ 3.9Å; F607-F618 HydrophobicContact CE2-CE2 4.33Å; F607-F618 HydrophobicContact CZ-CD2 4.25Å; F607-F618 AromaticContact CZ-CE2 3.44Å; F607-F618 HydrophobicContact CZ-CE2 3.44Å; F607-F618 VanDerWaalsContact CZ-CE2 3.44Å; F607-F618 AromaticContact CZ-CZ 3.85Å; F607-F618 HydrophobicContact CZ-CZ 3.85Å
608	P	90.9	Very high	95.7	Very high	54 Å²	54	67.2 Å²	67.2	35%	0.351	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	cis	-94.6	10.3	-1.2	40.2	-38.8	0	0	0	114.1	I289	I289-P608 HydrophobicContact CD1-CB 4.22Å; I289-P608 HydrophobicContact CD1-CG 3.84Å
609	K	93.3	Very high	95.8	Very high	192 Å²	192	63.6 Å²	63.6	84%	0.835	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-38.7	-172	-69.8	-171.4	175.7	-172.8	0	113	G606 Y611	G606-K609 PolarHBondContact O-N 3.03Å; K609-Y611 PolarHBondContact O-N 3.28Å
610	D	94.9	Very high	95.8	Very high	121 Å²	121	65.8 Å²	65.8	65%	0.647	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	2.9	-171.5	-54	-19.2	0	0	0	112.3	G606	G606-D610 WeakPolarHBondContact CA-OD2 3.29Å; G606-D610 PolarHBondContact O-N 2.89Å; G606-D610 VanDerWaalsContact O-N 3.12Å
611	Y	94.2	Very high	95.7	Very high	89 Å²	89	68 Å²	68	35%	0.349	35%	0.353	S	S	.	.			trans	-123.6	112.8	-173.6	-65	-92.3	0	0	0	110.3	F607 K609 S613 Y617	F607-Y611 HydrophobicContact CB-CD2 4.16Å; F607-Y611 HydrophobicContact CB-CE2 4.11Å; F607-Y611 AromaticContact CD2-CD2 3.69Å; F607-Y611 HydrophobicContact CD2-CD2 3.69Å; F607-Y611 HydrophobicContact CD2-CE2 4.2Å; F607-Y611 HydrophobicContact CD2-CG 4.04Å; F607-Y611 HydrophobicContact CG-CD2 4.41Å; K609-Y611 PolarHBondContact O-N 3.28Å; Y611-S613 VanDerWaalsContact C-N 3.26Å; Y611-S613 PolarHBondContact O-N 3.05Å; Y611-Y617 AromaticContact CD1-CD2 3.76Å; Y611-Y617 HydrophobicContact CD1-CD2 3.76Å; Y611-Y617 HydrophobicContact CD1-CG 4.32Å; Y611-Y617 HydrophobicContact CD2-CD2 4.44Å; Y611-Y617 AromaticContact CE1-CD2 3.54Å; Y611-Y617 HydrophobicContact CE1-CD2 3.54Å; Y611-Y617 HydrophobicContact CE1-CE2 4.24Å; Y611-Y617 HydrophobicContact CE2-CD2 4.24Å; Y611-Y617 HydrophobicContact CE2-CE2 4.39Å; Y611-Y617 HydrophobicContact CG-CD2 4.2Å; Y611-Y617 AromaticContact CZ-CD2 3.79Å
612	P	92.1	Very high	95.7	Very high	137 Å²	137	73.7 Å²	73.7	89%	0.89	38%	0.383	S	S	*	.	S	Bend	trans	-68.8	-26.6	-177.9	28	-34.7	0	0	0	112.7
613	S	96.8	Very high	95.6	Very high	27 Å²	27	74.5 Å²	74.5	19%	0.189	39%	0.39	C	S	.	.			trans	-124.7	116.6	-179.4	-179.8	0	0	0	0	110.8	Y611 M615 E616 Y617	Y611-S613 VanDerWaalsContact C-N 3.26Å; Y611-S613 PolarHBondContact O-N 3.05Å; S613-M615 VanDerWaalsContact C-N 3.28Å; S613-E616 WeakPolarHBondContact CB-OE1 3.5Å; S613-E616 WeakPolarHBondContact CB-OE2 2.98Å; S613-E616 PolarHBondContact OG-N 2.78Å; S613-E616 PolarHBondContact OG-OE1 2.6Å; S613-Y617 PolarHBondContact O-N 2.89Å
614	K	97.4	Very high	95.7	Very high	75 Å²	75	72 Å²	72	33%	0.326	37%	0.374	S	S	.	.	H	α-helix	trans	-65.7	-35	172.4	-63.9	167	-179.9	166.5	0	111.1	I289 V293 F607 Y617 F618	I289-K614 HydrophobicContact CG2-CD 4.17Å; V293-K614 HydrophobicContact CG2-CB 3.98Å; V293-K614 HydrophobicContact CG2-CD 4.48Å; F607-K614 HydrophobicContact CZ-CG 4.32Å; K614-Y617 PolarHBondContact O-N 2.94Å; K614-F618 HydrophobicContact CB-CD2 4.48Å; K614-F618 WeakPolarHBondContact O-CB 3.23Å; K614-F618 VanDerWaalsContact O-CD2 3.24Å; K614-F618 WeakPolarHBondContact O-CD2 3.01Å; K614-F618 PolarHBondContact O-N 2.99Å
615	M	98.1	Very high	95.8	Very high	36 Å²	36	69.4 Å²	69.4	18%	0.177	36%	0.358	C	S	.	.	H	α-helix	trans	-67.4	-45.3	-176.7	-66	-63.9	-73	0	0	110.9	V293 Q296 F301 S613 F618 F619	V293-M615 HydrophobicContact CG1-SD 4.02Å; Q296-M615 HydrophobicContact CB-SD 4.06Å; Q296-M615 HydrophobicContact CG-CG 4.34Å; Q296-M615 HydrophobicContact CG-SD 4.04Å; F301-M615 HydrophobicContact CE2-CE 4.1Å; S613-M615 VanDerWaalsContact C-N 3.28Å; M615-F618 PolarHBondContact O-N 3.37Å; M615-F619 HydrophobicContact CE-CD2 4.09Å; M615-F619 HydrophobicContact CE-CE2 3.89Å; M615-F619 WeakPolarHBondContact O-CB 3.35Å; M615-F619 WeakPolarHBondContact O-CD2 3.48Å; M615-F619 PolarHBondContact O-N 3.46Å; M615-F619 HydrophobicContact SD-CD2 4.41Å; M615-F619 HydrophobicContact SD-CE2 4.12Å
616	E	96.7	Very high	95.9	Very high	135 Å²	135	64 Å²	64	63%	0.631	34%	0.336	S	S	*	.	H	α-helix	trans	-60.7	-46.4	174.1	-75.5	140.6	-119.5	0	0	111.4	S613 F618 D620	S613-E616 WeakPolarHBondContact CB-OE1 3.5Å; S613-E616 WeakPolarHBondContact CB-OE2 2.98Å; S613-E616 PolarHBondContact OG-N 2.78Å; S613-E616 PolarHBondContact OG-OE1 2.6Å; E616-F618 PolarHBondContact O-N 2.81Å; E616-D620 WeakPolarHBondContact O-CA 3.45Å; E616-D620 WeakPolarHBondContact O-CB 3.48Å; E616-D620 PolarHBondContact O-N 2.68Å
617	Y	97.9	Very high	96	Very high	27 Å²	27	64.9 Å²	64.9	11%	0.106	35%	0.345	C	S	.	.	H	α-helix	trans	-58.3	-45	177.2	169.5	-89.5	0	0	0	113.5	V599 V604 F607 Y611 S613 K614	V599-Y617 HydrophobicContact CG1-CE1 4.29Å; V604-Y617 HydrophobicContact CB-CE2 4.42Å; V604-Y617 VanDerWaalsContact CG2-OH 3.23Å; V604-Y617 WeakPolarHBondContact CG2-OH 3.21Å; F607-Y617 AromaticContact CD2-CD1 3.65Å; F607-Y617 HydrophobicContact CD2-CD1 3.65Å; F607-Y617 AromaticContact CD2-CD2 3.76Å; F607-Y617 HydrophobicContact CD2-CD2 3.76Å; F607-Y617 AromaticContact CD2-CE1 3.81Å; F607-Y617 HydrophobicContact CD2-CE1 3.81Å; F607-Y617 AromaticContact CD2-CE2 3.89Å; F607-Y617 HydrophobicContact CD2-CE2 3.89Å; F607-Y617 AromaticContact CD2-CG 3.64Å; F607-Y617 HydrophobicContact CD2-CG 3.64Å; F607-Y617 AromaticContact CD2-CZ 3.93Å; F607-Y617 HydrophobicContact CE1-CE1 4.47Å; F607-Y617 AromaticContact CE2-CD1 3.29Å; F607-Y617 HydrophobicContact CE2-CD1 3.29Å; F607-Y617 HydrophobicContact CE2-CD2 4.12Å; F607-Y617 AromaticContact CE2-CE1 3.8Å; F607-Y617 HydrophobicContact CE2-CE1 3.8Å; F607-Y617 AromaticContact CE2-CG 3.49Å; F607-Y617 HydrophobicContact CE2-CG 3.49Å; F607-Y617 VanDerWaalsContact CE2-CG 3.49Å; F607-Y617 HydrophobicContact CG-CD1 4.47Å; F607-Y617 HydrophobicContact CG-CE1 4.21Å; F607-Y617 HydrophobicContact CG-CE2 4.39Å; F607-Y617 AromaticContact CZ-CD1 3.83Å; F607-Y617 HydrophobicContact CZ-CD1 3.83Å; F607-Y617 HydrophobicContact CZ-CE1 4.14Å; F607-Y617 HydrophobicContact CZ-CG 4.45Å; Y611-Y617 AromaticContact CD1-CD2 3.76Å; Y611-Y617 HydrophobicContact CD1-CD2 3.76Å; Y611-Y617 HydrophobicContact CD1-CG 4.32Å; Y611-Y617 HydrophobicContact CD2-CD2 4.44Å; Y611-Y617 AromaticContact CE1-CD2 3.54Å; Y611-Y617 HydrophobicContact CE1-CD2 3.54Å; Y611-Y617 HydrophobicContact CE1-CE2 4.24Å; Y611-Y617 HydrophobicContact CE2-CD2 4.24Å; Y611-Y617 HydrophobicContact CE2-CE2 4.39Å; Y611-Y617 HydrophobicContact CG-CD2 4.2Å; Y611-Y617 AromaticContact CZ-CD2 3.79Å; S613-Y617 PolarHBondContact O-N 2.89Å; K614-Y617 PolarHBondContact O-N 2.94Å
618	F	98.6	Very high	96	Very high	0 Å²	0	70 Å²	70	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-81.7	-22.8	-174.5	-83.5	-63.1	0	0	0	114.2	F286 I289 L290 V293 V599 F600 F607 K614 M615 E616	F286-F618 HydrophobicContact CE2-CZ 4.13Å; F286-F618 HydrophobicContact CZ-CE1 4.11Å; F286-F618 AromaticContact CZ-CZ 3.98Å; F286-F618 HydrophobicContact CZ-CZ 3.98Å; I289-F618 HydrophobicContact CG2-CE2 3.78Å; I289-F618 HydrophobicContact CG2-CZ 4.26Å; L290-F618 HydrophobicContact CD2-CE1 3.78Å; L290-F618 HydrophobicContact CD2-CZ 3.74Å; V293-F618 HydrophobicContact CB-CD2 4.42Å; V293-F618 HydrophobicContact CG1-CB 4.4Å; V293-F618 HydrophobicContact CG1-CD2 4.17Å; V293-F618 HydrophobicContact CG1-CG 4.47Å; V293-F618 HydrophobicContact CG2-CD2 3.65Å; V293-F618 HydrophobicContact CG2-CE2 3.87Å; V599-F618 HydrophobicContact CG1-CD1 4.02Å; F600-F618 HydrophobicContact CD1-CB 4.46Å; F600-F618 AromaticContact CD1-CD1 3.35Å; F600-F618 HydrophobicContact CD1-CD1 3.35Å; F600-F618 AromaticContact CD1-CE1 3.77Å; F600-F618 HydrophobicContact CD1-CE1 3.77Å; F600-F618 HydrophobicContact CD1-CG 4.06Å; F600-F618 HydrophobicContact CE1-CB 3.61Å; F600-F618 AromaticContact CE1-CD1 3.38Å; F600-F618 HydrophobicContact CE1-CD1 3.38Å; F600-F618 HydrophobicContact CE1-CE1 4.2Å; F600-F618 AromaticContact CE1-CG 3.62Å; F600-F618 HydrophobicContact CE1-CG 3.62Å; F600-F618 WeakPolarHBondContact CE2-O 3.24Å; F600-F618 HydrophobicContact CG-CD1 4.02Å; F600-F618 HydrophobicContact CG-CE1 4.43Å; F600-F618 HydrophobicContact CZ-CB 3.69Å; F600-F618 HydrophobicContact CZ-CD1 4.05Å; F600-F618 HydrophobicContact CZ-CG 4.18Å; F600-F618 WeakPolarHBondContact CZ-O 3.23Å; F607-F618 AromaticContact CE1-CE2 3.93Å; F607-F618 HydrophobicContact CE1-CE2 3.93Å; F607-F618 AromaticContact CE1-CZ 3.9Å; F607-F618 HydrophobicContact CE1-CZ 3.9Å; F607-F618 HydrophobicContact CE2-CE2 4.33Å; F607-F618 HydrophobicContact CZ-CD2 4.25Å; F607-F618 AromaticContact CZ-CE2 3.44Å; F607-F618 HydrophobicContact CZ-CE2 3.44Å; F607-F618 VanDerWaalsContact CZ-CE2 3.44Å; F607-F618 AromaticContact CZ-CZ 3.85Å; F607-F618 HydrophobicContact CZ-CZ 3.85Å; K614-F618 HydrophobicContact CB-CD2 4.48Å; K614-F618 WeakPolarHBondContact O-CB 3.23Å; K614-F618 VanDerWaalsContact O-CD2 3.24Å; K614-F618 WeakPolarHBondContact O-CD2 3.01Å; K614-F618 PolarHBondContact O-N 2.99Å; M615-F618 PolarHBondContact O-N 3.37Å; E616-F618 PolarHBondContact O-N 2.81Å
619	F	98.4	Very high	96.2	Very high	3 Å²	3	74.4 Å²	74.4	1%	0.013	39%	0.389	C	S	.	.	H	α-helix	trans	-120.1	22.1	-176.7	-61.1	-72	0	0	0	113.6	V293 C297 T439 V442 F443 M446 F600 M615 P621	V293-F619 HydrophobicContact CG1-CE2 3.73Å; V293-F619 HydrophobicContact CG1-CZ 4.23Å; C297-F619 VanDerWaalsContact SG-CZ 3.56Å; T439-F619 HydrophobicContact CG2-CZ 4.11Å; V442-F619 HydrophobicContact CB-CE1 4.32Å; V442-F619 HydrophobicContact CB-CZ 4.38Å; V442-F619 HydrophobicContact CG1-CD1 3.84Å; V442-F619 HydrophobicContact CG1-CD2 3.93Å; V442-F619 HydrophobicContact CG1-CE1 3.92Å; V442-F619 HydrophobicContact CG1-CE2 4.02Å; V442-F619 HydrophobicContact CG1-CG 3.84Å; V442-F619 HydrophobicContact CG1-CZ 4.02Å; F443-F619 HydrophobicContact CB-CD1 4.4Å; F443-F619 HydrophobicContact CB-CE1 4.02Å; F443-F619 HydrophobicContact CD2-CD1 4.44Å; F443-F619 HydrophobicContact CD2-CE1 4.45Å; M446-F619 HydrophobicContact CB-CB 4.46Å; M446-F619 HydrophobicContact CE-CB 4.45Å; M446-F619 WeakPolarHBondContact CE-O 3.18Å; M446-F619 HydrophobicContact CG-CB 4.13Å; F600-F619 HydrophobicContact CE1-CZ 4.34Å; F600-F619 HydrophobicContact CE2-CE1 4.25Å; F600-F619 HydrophobicContact CZ-CD1 4.08Å; F600-F619 AromaticContact CZ-CE1 3.58Å; F600-F619 HydrophobicContact CZ-CE1 3.58Å; F600-F619 HydrophobicContact CZ-CE2 4.37Å; F600-F619 AromaticContact CZ-CZ 3.74Å; F600-F619 HydrophobicContact CZ-CZ 3.74Å; M615-F619 HydrophobicContact CE-CD2 4.09Å; M615-F619 HydrophobicContact CE-CE2 3.89Å; M615-F619 WeakPolarHBondContact O-CB 3.35Å; M615-F619 WeakPolarHBondContact O-CD2 3.48Å; M615-F619 PolarHBondContact O-N 3.46Å; M615-F619 HydrophobicContact SD-CD2 4.41Å; M615-F619 HydrophobicContact SD-CE2 4.12Å; F619-P621 WeakPolarHBondContact O-CD 3.43Å
620	D	98.2	Very high	96.4	Very high	57 Å²	57	65.5 Å²	65.5	31%	0.305	35%	0.352	S	S	.	.			trans	-58.1	113	174.9	-172	-21.3	0	0	0	110.9	E616 D622 V623 L624	E616-D620 WeakPolarHBondContact O-CA 3.45Å; E616-D620 WeakPolarHBondContact O-CB 3.48Å; E616-D620 PolarHBondContact O-N 2.68Å; D620-D622 VanDerWaalsContact C-N 3.3Å; D620-D622 PolarHBondContact O-N 3.04Å; D620-D622 PolarHBondContact OD1-N 2.78Å; D620-V623 HydrophobicContact CB-CB 4.13Å; D620-V623 HydrophobicContact CB-CG2 4.04Å; D620-V623 PolarHBondContact O-N 3.05Å; D620-V623 WeakPolarHBondContact OD2-CG2 3.35Å; D620-L624 WeakPolarHBondContact O-CB 3.49Å; D620-L624 VanDerWaalsContact O-CG 3.31Å; D620-L624 WeakPolarHBondContact O-CG 3.39Å; D620-L624 PolarHBondContact O-N 3.14Å
621	P	97.6	Very high	96.4	Very high	49 Å²	49	61.1 Å²	61.1	32%	0.318	33%	0.33	S	S	.	.	H	α-helix	trans	-61.2	-36.8	178.7	-22.8	35.3	0	0	0	112.7	M446 F619 V623 L624 T625	M446-P621 HydrophobicContact CE-CG 4Å; F619-P621 WeakPolarHBondContact O-CD 3.43Å; P621-V623 VanDerWaalsContact C-N 3.25Å; P621-V623 PolarHBondContact O-N 3.37Å; P621-L624 PolarHBondContact O-N 2.79Å; P621-T625 PolarHBondContact O-N 2.72Å; P621-T625 PolarHBondContact O-OG1 3.27Å; P621-T625 VanDerWaalsContact O-OG1 3.07Å
622	D	97.1	Very high	96.4	Very high	118 Å²	118	61.6 Å²	61.6	63%	0.631	34%	0.339	S	S	*	.	H	α-helix	trans	-67.9	-29.3	-176.7	-71	-24.8	0	0	0	111.2	D620 E626 G627	D620-D622 VanDerWaalsContact C-N 3.3Å; D620-D622 PolarHBondContact O-N 3.04Å; D620-D622 PolarHBondContact OD1-N 2.78Å; D622-E626 CarbonylContact O-C 3.39Å; D622-E626 WeakPolarHBondContact O-CA 3.44Å; D622-E626 PolarHBondContact O-N 3.09Å; D622-G627 PolarHBondContact O-N 3.06Å; D622-G627 VanDerWaalsContact O-N 3.1Å
623	V	97.1	Very high	96.3	Very high	62 Å²	62	60 Å²	60	38%	0.376	32%	0.323	S	S	.	.	H	α-helix	trans	-83.9	-34.9	174.1	-177.5	0	0	0	0	112.4	V599 D620 P621	V599-V623 HydrophobicContact CG2-CG1 3.53Å; D620-V623 HydrophobicContact CB-CB 4.13Å; D620-V623 HydrophobicContact CB-CG2 4.04Å; D620-V623 PolarHBondContact O-N 3.05Å; D620-V623 WeakPolarHBondContact OD2-CG2 3.35Å; P621-V623 VanDerWaalsContact C-N 3.25Å; P621-V623 PolarHBondContact O-N 3.37Å
624	L	97.7	Very high	96.1	Very high	1 Å²	1	65.5 Å²	65.5	1%	0.005	34%	0.339	C	S	.	.	H	α-helix	trans	-80.3	-36.2	-177.5	-68.8	179.4	0	0	0	113.4	F443 N595 V599 D620 P621	F443-L624 HydrophobicContact CD2-CD1 4.03Å; F443-L624 HydrophobicContact CE2-CD1 3.93Å; F443-L624 HydrophobicContact CE2-CD2 4.04Å; N595-L624 HydrophobicContact CB-CD2 4.44Å; N595-L624 VanDerWaalsContact CB-O 3.32Å; N595-L624 WeakPolarHBondContact CB-O 3.41Å; N595-L624 PolarHBondContact ND2-O 3.46Å; V599-L624 HydrophobicContact CB-CD2 4.45Å; V599-L624 HydrophobicContact CG2-CD2 4.17Å; D620-L624 WeakPolarHBondContact O-CB 3.49Å; D620-L624 VanDerWaalsContact O-CG 3.31Å; D620-L624 WeakPolarHBondContact O-CG 3.39Å; D620-L624 PolarHBondContact O-N 3.14Å; P621-L624 PolarHBondContact O-N 2.79Å
625	T	95.9	Very high	96	Very high	16 Å²	16	62.9 Å²	62.9	10%	0.098	33%	0.33	C	S	.	.	S	Bend	trans	-106.3	4.5	178	76.7	0	0	0	0	113.8	C447 F588 P621 G627 E628	C447-T625 HydrophobicContact CB-CG2 4.1Å; F588-T625 HydrophobicContact CE1-CG2 4.22Å; F588-T625 HydrophobicContact CE2-CG2 4.48Å; F588-T625 HydrophobicContact CZ-CG2 3.69Å; P621-T625 PolarHBondContact O-N 2.72Å; P621-T625 PolarHBondContact O-OG1 3.27Å; P621-T625 VanDerWaalsContact O-OG1 3.07Å; T625-G627 PolarHBondContact O-N 2.92Å; T625-E628 VanDerWaalsContact CB-O 3.29Å; T625-E628 WeakPolarHBondContact CB-O 3.19Å; T625-E628 WeakPolarHBondContact O-CB 3.39Å; T625-E628 PolarHBondContact O-N 3Å; T625-E628 VanDerWaalsContact O-N 3.14Å; T625-E628 PolarHBondContact OG1-O 3.37Å
626	E	95.3	Very high	95.9	Very high	95 Å²	95	61.8 Å²	61.8	44%	0.444	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	26.3	-175.9	-58.1	154.9	-129.3	0	0	112.9	K591 N595 D622 E628	K591-E626 IonicContact NZ-OE1 3.2Å; K591-E626 PolarHBondContact NZ-OE1 3.38Å; K591-E626 IonicContact NZ-OE2 2.72Å; K591-E626 PolarHBondContact NZ-OE2 3.49Å; N595-E626 PolarHBondContact ND2-OE1 3.3Å; D622-E626 CarbonylContact O-C 3.39Å; D622-E626 WeakPolarHBondContact O-CA 3.44Å; D622-E626 PolarHBondContact O-N 3.09Å; E626-E628 PolarHBondContact O-N 2.88Å
627	G	93.6	Very high	95.8	Very high	44 Å²	44	65.5 Å²	65.5	45%	0.454	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	0.5	-174.3	0	0	0	0	0	114.5	D622 T625	D622-G627 PolarHBondContact O-N 3.06Å; D622-G627 VanDerWaalsContact O-N 3.1Å; T625-G627 PolarHBondContact O-N 2.92Å
628	E	94.4	Very high	95.6	Very high	132 Å²	132	67.6 Å²	67.6	62%	0.617	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-82.8	147	177.2	-70	-71	174	0	0	111.6	F588 T625 E626	F588-E628 HydrophobicContact CE2-CB 4.1Å; T625-E628 VanDerWaalsContact CB-O 3.29Å; T625-E628 WeakPolarHBondContact CB-O 3.19Å; T625-E628 WeakPolarHBondContact O-CB 3.39Å; T625-E628 PolarHBondContact O-N 3Å; T625-E628 VanDerWaalsContact O-N 3.14Å; T625-E628 PolarHBondContact OG1-O 3.37Å; E626-E628 PolarHBondContact O-N 2.88Å
629	L	95.6	Very high	95.4	Very high	146 Å²	146	69.6 Å²	69.6	76%	0.764	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-92	149.8	178.5	-64.1	177.7	0	0	0	112.1
630	A	95.9	Very high	95.2	Very high	6 Å²	6	70.6 Å²	70.6	5%	0.05	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-55.5	124.8	-179.8	0	0	0	0	0	112.5	D448 M585 F588 N632	D448-A630 HydrophobicContact CB-CB 4.16Å; D448-A630 WeakPolarHBondContact O-CB 3.48Å; M585-A630 HydrophobicContact CE-CB 4.29Å; F588-A630 HydrophobicContact CD1-CB 4.37Å; F588-A630 HydrophobicContact CE1-CB 3.82Å; F588-A630 HydrophobicContact CZ-CB 4.27Å; A630-N632 PolarHBondContact O-N 3.09Å; A630-N632 VanDerWaalsContact O-N 3.14Å
631	P	94.8	Very high	95	Very high	29 Å²	29	71.7 Å²	71.7	19%	0.188	37%	0.373	C	S	.	.			trans	-59.6	114	-171.5	-29.1	35.7	0	0	0	114.7	K584 M585 F588	K584-P631 HydrophobicContact CB-CB 3.85Å; K584-P631 HydrophobicContact CB-CG 4.05Å; K584-P631 HydrophobicContact CD-CB 4.36Å; M585-P631 VanDerWaalsContact CE-O 3.29Å; M585-P631 WeakPolarHBondContact CE-O 3.42Å; F588-P631 HydrophobicContact CB-CG 4.02Å; F588-P631 HydrophobicContact CD2-CG 4.34Å; F588-P631 HydrophobicContact CG-CG 4.21Å
632	N	94.5	Very high	94.8	Very high	99 Å²	99	72.1 Å²	72.1	53%	0.529	37%	0.372	S	S	.	.			trans	-105	12.2	-171.6	68.2	9	0	0	0	115.2	A630 R634 C635	A630-N632 PolarHBondContact O-N 3.09Å; A630-N632 VanDerWaalsContact O-N 3.14Å; N632-R634 PolarHBondContact O-N 3.17Å; N632-C635 HydrophobicContact CB-CB 4.36Å; N632-C635 VanDerWaalsContact O-CB 3.23Å; N632-C635 WeakPolarHBondContact O-CB 3.34Å; N632-C635 PolarHBondContact O-N 3.48Å
633	D	91.7	Very high	94.5	Very high	104 Å²	104	69.6 Å²	69.6	56%	0.556	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.7	-33.6	-177.8	-67.4	23.7	0	0	0	116	K584	K584-D633 WeakPolarHBondContact CD-OD2 3.26Å; K584-D633 VanDerWaalsContact CE-OD2 3.29Å; K584-D633 WeakPolarHBondContact CE-OD2 3.48Å; K584-D633 VanDerWaalsContact NZ-CG 3.34Å; K584-D633 IonicContact NZ-OD1 3.58Å; K584-D633 PolarHBondContact NZ-OD1 2.68Å; K584-D633 IonicContact NZ-OD2 2.89Å; K584-D633 PolarHBondContact NZ-OD2 3.3Å
634	R	92.6	Very high	94.2	Very high	141 Å²	141	69.1 Å²	69.1	53%	0.532	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	0.6	-176.7	-67.6	179	65.3	-160.4	-0.7	114.1	G580 N632 I642	G580-R634 PolarHBondContact O-NH1 3.14Å; N632-R634 PolarHBondContact O-N 3.17Å; R634-I642 HydrophobicContact CB-CG2 4.47Å
635	C	95.1	Very high	94	Very high	21 Å²	21	76.4 Å²	76.4	14%	0.142	40%	0.399	C	S	.	.	S	Bend	trans	-94.9	148.7	-173.9	-60.5	0	0	0	0	111.9	R454 N632 R637 G640	R454-C635 PolarHBondContact O-SG 2.78Å; R454-C635 VanDerWaalsContact O-SG 3.4Å; N632-C635 HydrophobicContact CB-CB 4.36Å; N632-C635 VanDerWaalsContact O-CB 3.23Å; N632-C635 WeakPolarHBondContact O-CB 3.34Å; N632-C635 PolarHBondContact O-N 3.48Å; C635-R637 PolarHBondContact O-N 3.12Å; C635-G640 WeakPolarHBondContact CB-O 3.31Å; C635-G640 PolarHBondContact SG-O 3.43Å
636	C	95.2	Very high	93.8	Very high	12 Å²	12	79.5 Å²	79.5	8%	0.081	41%	0.414	C	S	.	.			trans	-62.2	119.7	170.5	178.3	0	0	0	0	110	I638 C639 G640 K641 H644 C649	C636-I638 PolarHBondContact O-N 2.9Å; C636-C639 PolarHBondContact O-N 3.08Å; C636-G640 WeakPolarHBondContact O-CA 3.39Å; C636-G640 PolarHBondContact O-N 3.47Å; C636-K641 WeakPolarHBondContact CB-O 3.32Å; C636-K641 PolarHBondContact N-O 3.2Å; C636-H644 VanDerWaalsContact CB-CE1 3.45Å; C636-H644 WeakPolarHBondContact CB-CE1 3.46Å; C636-H644 VanDerWaalsContact CB-NE2 3.31Å; C636-H644 WeakPolarHBondContact CB-NE2 3.21Å; C636-H644 PolarHBondContact SG-NE2 3.5Å; C636-H644 VanDerWaalsContact SG-NE2 3.39Å; C636-C649 VanDerWaalsContact SG-SG 3.7Å
637	R	93.6	Very high	93.6	Very high	214 Å²	214	81.8 Å²	81.8	81%	0.808	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	1.6	-177.3	70.4	174.6	-179.7	-169.6	-5	116.4	C635 M646	C635-R637 PolarHBondContact O-N 3.12Å; R637-M646 HydrophobicContact CG-SD 3.92Å; R637-M646 VanDerWaalsContact CZ-SD 3.54Å; R637-M646 PolarHBondContact NE-SD 3.49Å; R637-M646 PolarHBondContact NH2-SD 3.01Å; R637-M646 VanDerWaalsContact NH2-SD 3.39Å
638	I	94.6	Very high	93.5	Very high	71 Å²	71	83.5 Å²	83.5	36%	0.364	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-47.5	-179.3	-54.3	177	0	0	0	110.8	C636 M646 C649 M651 R652	C636-I638 PolarHBondContact O-N 2.9Å; I638-M646 HydrophobicContact CD1-CB 4.06Å; I638-M646 HydrophobicContact CD1-CG 4.2Å; I638-C649 HydrophobicContact CD1-CB 4.26Å; I638-M651 HydrophobicContact CG2-CB 4Å; I638-R652 HydrophobicContact CD1-CB 4.18Å; I638-R652 HydrophobicContact CD1-CG 4.45Å
639	C	93.8	Very high	93.4	Very high	41 Å²	41	77.5 Å²	77.5	28%	0.277	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-6.5	-177.1	66.4	0	0	0	0	114.6	C636 K641 H644 M651	C636-C639 PolarHBondContact O-N 3.08Å; C639-K641 VanDerWaalsContact C-N 3.28Å; C639-K641 PolarHBondContact O-N 2.9Å; C639-H644 PolarHBondContact SG-CE1 3.37Å; C639-H644 PolarHBondContact SG-NE2 3.3Å; C639-H644 VanDerWaalsContact SG-NE2 3.41Å; C639-M651 HydrophobicContact CB-CB 4.03Å; C639-M651 HydrophobicContact CB-CG 3.79Å
640	G	94.3	Very high	93.1	Very high	25 Å²	25	74 Å²	74	26%	0.258	38%	0.38	S	S	.	.	S	Bend	trans	74.1	8.6	-178.6	0	0	0	0	0	115.4	R454 C635 C636	R454-G640 WeakPolarHBondContact CG-O 3.16Å; C635-G640 WeakPolarHBondContact CB-O 3.31Å; C635-G640 PolarHBondContact SG-O 3.43Å; C636-G640 WeakPolarHBondContact O-CA 3.39Å; C636-G640 PolarHBondContact O-N 3.47Å
641	K	93.8	Very high	92.7	Very high	80 Å²	80	79.9 Å²	79.9	35%	0.348	41%	0.408	S	S	.	.			trans	-104.8	153.9	179.6	-55.8	-62.7	-166.6	156.6	0	112.9	D451 S453 R454 C636 C639 H644	D451-K641 IonicContact OD1-NZ 3.87Å; D451-K641 IonicContact OD2-NZ 2.79Å; D451-K641 PolarHBondContact OD2-NZ 2.56Å; S453-K641 CarbonylContact O-C 3.58Å; S453-K641 VanDerWaalsContact O-CA 3.3Å; S453-K641 WeakPolarHBondContact O-CA 3.46Å; S453-K641 WeakPolarHBondContact OG-CD 3.33Å; S453-K641 PolarHBondContact OG-NZ 3.26Å; R454-K641 HydrophobicContact CG-CD 3.84Å; C636-K641 WeakPolarHBondContact CB-O 3.32Å; C636-K641 PolarHBondContact N-O 3.2Å; C639-K641 VanDerWaalsContact C-N 3.28Å; C639-K641 PolarHBondContact O-N 2.9Å; K641-H644 PolarHBondContact O-CE1 3.4Å
642	I	93.4	Very high	92.4	Very high	57 Å²	57	84.7 Å²	84.7	29%	0.292	42%	0.422	S	S	.	.	S	Bend	trans	-81.8	-176.5	176.8	71.3	179.1	0	0	0	112.4	A452 S453 R634 H644	A452-I642 WeakPolarHBondContact O-CD1 3.3Å; S453-I642 PolarHBondContact O-N 3.3Å; R634-I642 HydrophobicContact CB-CG2 4.47Å; I642-H644 PolarHBondContact O-N 3.14Å; I642-H644 PolarHBondContact O-ND1 2.89Å
643	G	90.9	Very high	91.3	Very high	65 Å²	65	88.3 Å²	88.3	67%	0.67	43%	0.428	S	S	*	.	S	Bend	trans	81.3	6.5	161	0	0	0	0	0	117.8
644	H	92.1	Very high	89.7	Confident	53 Å²	53	92.6 Å²	92.6	25%	0.245	44%	0.442	C	S	.	.	S	Bend	trans	-153	155.4	179.8	65.7	-72.8	0	0	0	111.7	C636 C639 K641 I642 C649	C636-H644 VanDerWaalsContact CB-CE1 3.45Å; C636-H644 WeakPolarHBondContact CB-CE1 3.46Å; C636-H644 VanDerWaalsContact CB-NE2 3.31Å; C636-H644 WeakPolarHBondContact CB-NE2 3.21Å; C636-H644 PolarHBondContact SG-NE2 3.5Å; C636-H644 VanDerWaalsContact SG-NE2 3.39Å; C639-H644 PolarHBondContact SG-CE1 3.37Å; C639-H644 PolarHBondContact SG-NE2 3.3Å; C639-H644 VanDerWaalsContact SG-NE2 3.41Å; K641-H644 PolarHBondContact O-CE1 3.4Å; I642-H644 PolarHBondContact O-N 3.14Å; I642-H644 PolarHBondContact O-ND1 2.89Å; H644-C649 PolarHBondContact NE2-SG 3.37Å; H644-C649 VanDerWaalsContact NE2-SG 3.41Å
645	F	92.8	Very high	87.5	Confident	153 Å²	153	91.8 Å²	91.8	67%	0.671	45%	0.453	S	S	*	.			trans	-84	159.6	172.7	-62	-78.5	0	0	0	111.4	K647 D648 C649	F645-K647 HydrophobicContact CB-CG 3.95Å; F645-K647 PolarHBondContact O-N 3.47Å; F645-K647 VanDerWaalsContact O-N 3.1Å; F645-D648 PolarHBondContact O-N 3.26Å; F645-C649 PolarHBondContact O-N 3.46Å
646	M	91.9	Very high	85.1	Confident	81 Å²	81	102 Å²	102	40%	0.399	49%	0.488	S	S	.	.	G	3₁₀ helix	trans	-56.6	-29.2	179.8	-69.1	177.4	-77.3	0	0	114.3	R637 I638 D648 C649 R652	R637-M646 HydrophobicContact CG-SD 3.92Å; R637-M646 VanDerWaalsContact CZ-SD 3.54Å; R637-M646 PolarHBondContact NE-SD 3.49Å; R637-M646 PolarHBondContact NH2-SD 3.01Å; R637-M646 VanDerWaalsContact NH2-SD 3.39Å; I638-M646 HydrophobicContact CD1-CB 4.06Å; I638-M646 HydrophobicContact CD1-CG 4.2Å; M646-D648 VanDerWaalsContact C-N 3.26Å; M646-D648 PolarHBondContact O-N 3.45Å; M646-C649 WeakPolarHBondContact O-CB 3.32Å; M646-C649 PolarHBondContact O-N 3.36Å; M646-R652 WeakPolarHBondContact O-CD 3.44Å
647	K	91.9	Very high	82.5	Confident	144 Å²	144	111.4 Å²	111.4	63%	0.626	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-63.6	-33.1	175.9	51.2	159.6	-173.9	83	0	112.4	F645	F645-K647 HydrophobicContact CB-CG 3.95Å; F645-K647 PolarHBondContact O-N 3.47Å; F645-K647 VanDerWaalsContact O-N 3.1Å
648	D	91.3	Very high	79.9	Confident	79 Å²	79	112.6 Å²	112.6	42%	0.422	53%	0.526	S	S	.	.	G	3₁₀ helix	trans	-98	4.5	-174.8	-41	-53.3	0	0	0	112	F645 M646 P650	F645-D648 PolarHBondContact O-N 3.26Å; M646-D648 VanDerWaalsContact C-N 3.26Å; M646-D648 PolarHBondContact O-N 3.45Å; D648-P650 WeakPolarHBondContact O-CD 3.49Å
649	C	92.4	Very high	77.4	Confident	7 Å²	7	119 Å²	119	5%	0.047	55%	0.546	C	S	.	.			trans	-73.1	123.2	-174	-174.1	0	0	0	0	111.9	C636 I638 H644 F645 M646 M651 R652	C636-C649 VanDerWaalsContact SG-SG 3.7Å; I638-C649 HydrophobicContact CD1-CB 4.26Å; H644-C649 PolarHBondContact NE2-SG 3.37Å; H644-C649 VanDerWaalsContact NE2-SG 3.41Å; F645-C649 PolarHBondContact O-N 3.46Å; M646-C649 WeakPolarHBondContact O-CB 3.32Å; M646-C649 PolarHBondContact O-N 3.36Å; C649-M651 PolarHBondContact O-N 3.36Å; C649-M651 VanDerWaalsContact O-N 3.14Å; C649-R652 HydrophobicContact CB-CB 4.25Å; C649-R652 VanDerWaalsContact O-CB 3.25Å; C649-R652 WeakPolarHBondContact O-CB 3.29Å; C649-R652 PolarHBondContact O-N 2.89Å
650	P	88.3	Confident	74.8	Confident	72 Å²	72	123.6 Å²	123.6	47%	0.468	57%	0.568	S	S	.	*	T	Hydrogen-bonded Turn	trans	-59.2	-29.7	-178.9	-27	35.9	0	0	0	114.3	L386 D648 R652	L386-P650 HydrophobicContact CD1-CB 4.14Å; L386-P650 HydrophobicContact CD1-CG 3.55Å; L386-P650 HydrophobicContact CD2-CB 4.27Å; L386-P650 HydrophobicContact CD2-CG 3.81Å; L386-P650 HydrophobicContact CG-CG 4.36Å; D648-P650 WeakPolarHBondContact O-CD 3.49Å; P650-R652 VanDerWaalsContact C-N 3.33Å
651	M	88.4	Confident	72.2	Confident	130 Å²	130	130.8 Å²	130.8	64%	0.64	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	1.3	179.7	-61.5	-62.5	159.5	0	0	113.5	I638 C639 C649 R653	I638-M651 HydrophobicContact CG2-CB 4Å; C639-M651 HydrophobicContact CB-CB 4.03Å; C639-M651 HydrophobicContact CB-CG 3.79Å; C649-M651 PolarHBondContact O-N 3.36Å; C649-M651 VanDerWaalsContact O-N 3.14Å; M651-R653 PolarHBondContact O-N 2.82Å
652	R	88.8	Confident	69.5	Low	130 Å²	130	134.9 Å²	134.9	49%	0.491	62%	0.615	S	S	.	*	S	Bend	trans	-71.1	111.1	174.1	179.2	170.7	177.4	-88.8	-1.9	109.1	I638 M646 C649 P650 K654	I638-R652 HydrophobicContact CD1-CB 4.18Å; I638-R652 HydrophobicContact CD1-CG 4.45Å; M646-R652 WeakPolarHBondContact O-CD 3.44Å; C649-R652 HydrophobicContact CB-CB 4.25Å; C649-R652 VanDerWaalsContact O-CB 3.25Å; C649-R652 WeakPolarHBondContact O-CB 3.29Å; C649-R652 PolarHBondContact O-N 2.89Å; P650-R652 VanDerWaalsContact C-N 3.33Å; R652-K654 PolarHBondContact O-N 3.2Å
653	R	70.6	Confident	66.8	Low	175 Å²	175	140 Å²	140	66%	0.66	64%	0.643	S	S	*	*			trans	-48.1	109.1	170.2	-67.9	-174.6	-178.1	-174	0.6	109.5	M651 V655 D736	M651-R653 PolarHBondContact O-N 2.82Å; R653-V655 PolarHBondContact O-N 3.33Å; R653-D736 IonicContact CZ-OD1 2.71Å; R653-D736 IonicContact CZ-OD2 3.77Å; R653-D736 VanDerWaalsContact CZ-OD2 3.29Å; R653-D736 IonicContact NH1-OD1 3.37Å; R653-D736 IonicContact NH1-OD2 3.1Å; R653-D736 PolarHBondContact NH1-OD2 3.5Å; R653-D736 VanDerWaalsContact NH2-CG 3.25Å; R653-D736 IonicContact NH2-OD1 3.47Å; R653-D736 PolarHBondContact NH2-OD1 3.44Å; R653-D736 IonicContact NH2-OD2 3.15Å; R653-D736 PolarHBondContact NH2-OD2 2.95Å
654	K	58.3	Low	64.2	Low	193 Å²	193	141.6 Å²	141.6	84%	0.839	65%	0.65	S	S	*	*			trans	-64.3	107.3	165.5	-73.5	-174.3	179.3	-178.6	0	106.3	R652 R656	R652-K654 PolarHBondContact O-N 3.2Å; K654-R656 PolarHBondContact O-N 2.79Å
655	V	47	Very low	61.6	Low	125 Å²	125	146.2 Å²	146.2	76%	0.758	68%	0.676	S	S	*	*			trans	-60.3	108.4	168.7	178.1	0	0	0	0	106.4	R653 R657	R653-V655 PolarHBondContact O-N 3.33Å; V655-R657 PolarHBondContact O-N 3.01Å; V655-R657 VanDerWaalsContact O-N 3.16Å
656	R	43.7	Very low	58.8	Low	235 Å²	235	146.8 Å²	146.8	89%	0.887	69%	0.686	S	S	*	*			trans	-53.7	121.2	168.8	-84.5	-178.1	166	176.5	-6.9	106.7	K654 R658	K654-R656 PolarHBondContact O-N 2.79Å; R656-R658 VanDerWaalsContact C-N 3.27Å; R656-R658 PolarHBondContact O-N 2.95Å
657	R	40.4	Very low	56.1	Low	210 Å²	210	152.2 Å²	152.2	79%	0.792	71%	0.71	S	S	*	*			trans	-69.3	86.5	173	-76	-173.4	176.6	-177.2	0.2	108.8	V655 R659	V655-R657 PolarHBondContact O-N 3.01Å; V655-R657 VanDerWaalsContact O-N 3.16Å; R657-R659 PolarHBondContact O-N 3.07Å
658	R	40.1	Very low	53.3	Low	238 Å²	238	156.3 Å²	156.3	90%	0.898	72%	0.722	S	S	*	*			trans	-73.6	71.2	151.7	-88	-166.7	169.7	-167	-2.1	107.9	R656	R656-R658 VanDerWaalsContact C-N 3.27Å; R656-R658 PolarHBondContact O-N 2.95Å
659	R	41.1	Very low	50.3	Low	206 Å²	206	162.5 Å²	162.5	78%	0.777	74%	0.741	S	S	*	*			trans	-162.5	57.2	172.4	-91	-151.2	178.5	-176.1	-1.7	109.5	R657	R657-R659 PolarHBondContact O-N 3.07Å
660	D	39.3	Very low	47.7	Very low	137 Å²	137	167.7 Å²	167.7	73%	0.733	77%	0.774	S	S	*	*	S	Bend	trans	-149.6	32.8	166.4	-71	-63.7	0	0	0	108.3
661	Q	40.4	Very low	44.9	Very low	177 Å²	177	173.5 Å²	173.5	83%	0.827	80%	0.795	S	S	*	*	S	Bend	trans	-153.3	29.1	-174	-147.1	174.2	38.6	0	0	114.1
662	E	36	Very low	41.9	Very low	165 Å²	165	174.3 Å²	174.3	77%	0.771	80%	0.802	S	S	*	*	S	Bend	trans	-125.1	-24.3	168.6	-74.1	-176.4	134.8	0	0	112.5	A664	E662-A664 PolarHBondContact O-N 3.22Å
663	D	38.2	Very low	39.1	Very low	165 Å²	165	177.1 Å²	177.1	88%	0.882	82%	0.818	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	4.4	-178.6	-65	-59.1	0	0	0	115.1
664	A	35.6	Very low	37.1	Very low	99 Å²	99	175.6 Å²	175.6	82%	0.818	82%	0.818	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	1.7	-179.2	0	0	0	0	0	114.4	E662	E662-A664 PolarHBondContact O-N 3.22Å
665	L	38.2	Very low	35.8	Very low	149 Å²	149	174.1 Å²	174.1	78%	0.78	81%	0.812	S	S	*	*	S	Bend	trans	-137.7	52.3	-167.3	-134.3	167.1	0	0	0	114.1
666	N	32.2	Very low	34.8	Very low	166 Å²	166	179.1 Å²	179.1	89%	0.888	82%	0.817	S	S	*	*			trans	-163.6	76.7	155.1	-98.6	-42.6	0	0	0	112.8
667	Q	35.4	Very low	34	Very low	194 Å²	194	172.8 Å²	172.8	91%	0.907	81%	0.809	S	S	*	*			trans	-125.6	98.5	161.3	-74.6	-165.2	17.5	0	0	111.1
668	R	33.4	Very low	33.5	Very low	230 Å²	230	170.8 Å²	170.8	87%	0.868	81%	0.806	S	S	*	*			trans	-166.4	142.4	149.2	-112.1	163.2	-152.8	-157.3	4.8	113.1
669	Y	29	Very low	33	Very low	209 Å²	209	166.7 Å²	166.7	82%	0.82	80%	0.797	S	S	*	*			trans	65.6	112.1	173.2	-71.9	-76.9	0	0	0	119.3
670	P	38.5	Very low	32.5	Very low	117 Å²	117	162.6 Å²	162.6	76%	0.76	79%	0.791	S	S	*	*			trans	-93.8	150.1	162.4	36.9	-30.7	0	0	0	111.4
671	E	27.9	Very low	32.1	Very low	194 Å²	194	162.9 Å²	162.9	91%	0.907	79%	0.785	S	S	*	*			trans	-152.6	156.4	154.2	-134.6	168.7	-146.9	0	0	112.9
672	N	26.3	Very low	31.6	Very low	146 Å²	146	161.7 Å²	161.7	78%	0.781	78%	0.78	S	S	*	*			trans	-105.8	138.7	-168.6	-69	-81.8	0	0	0	112.3
673	K	29.3	Very low	31.4	Very low	190 Å²	190	160.1 Å²	160.1	83%	0.826	78%	0.775	S	S	*	*				171.5	125.8	114	-92.2	155.2	-174.2	169.4	0	115.1
674	E	29.7	Very low	31	Very low	143 Å²	143	159.9 Å²	159.9	67%	0.668	77%	0.768	S	S	*	*			trans	40.7	144.4	132.4	-66.9	-163.4	106.4	0	0	124.9
675	K	29.7	Very low	30.7	Very low	161 Å²	161	160 Å²	160	70%	0.7	76%	0.756	S	S	*	*			trans	94.1	95.1	142.3	-78	150.7	-174.6	153.2	0	121.4
676	R	25.7	Very low	30.4	Very low	230 Å²	230	160.6 Å²	160.6	87%	0.868	75%	0.752	S	S	*	*				62.4	107.6	122.5	-84.6	-172.3	171.1	178.8	-2.2	120.8
677	S	27.9	Very low	30.1	Very low	102 Å²	102	162.7 Å²	162.7	71%	0.713	75%	0.749	S	S	*	*				104.1	150.5	103	76	0	0	0	0	121.7
678	K	30.2	Very low	29.8	Very low	168 Å²	168	159.4 Å²	159.4	73%	0.73	74%	0.742	S	S	*	*			trans	77.8	105.7	160.5	-72.3	-172.4	160.5	-88.2	0	120.8
679	E	28.1	Very low	29.6	Very low	152 Å²	152	154.2 Å²	154.2	71%	0.71	73%	0.727	S	S	*	*				56.9	141.1	112.1	-65.2	172	133.4	0	0	122.5
680	D	31.2	Very low	29.7	Very low	121 Å²	121	152.9 Å²	152.9	65%	0.647	72%	0.721	S	S	*	*			trans	95.4	114.5	143.4	-90.8	-10.8	0	0	0	123.6
681	K	31.4	Very low	29.2	Very low	142 Å²	142	153.6 Å²	153.6	62%	0.617	71%	0.714	S	S	*	*				81.1	122.8	127.2	-74.9	176.5	177.7	70.6	0	123.3
682	E	30.8	Very low	29.1	Very low	153 Å²	153	150.7 Å²	150.7	72%	0.715	71%	0.709	S	S	*	*				62.6	156.2	122.4	-66	-174.5	120.3	0	0	121.2
683	I	31.1	Very low	29	Very low	131 Å²	131	148.1 Å²	148.1	67%	0.672	70%	0.703	S	S	*	*			cis	-163.5	153.7	-33.7	-119	171.8	0	0	0	107
684	H	30.1	Very low	28.9	Very low	160 Å²	160	144.6 Å²	144.6	74%	0.741	70%	0.698	S	S	*	*			trans	66.1	168.3	166.2	-95.1	-6	0	0	0	116.9
685	N	28.6	Very low	28.8	Very low	103 Å²	103	146.1 Å²	146.1	55%	0.551	70%	0.702	S	S	*	*			cis	-151.3	166.8	2.4	-134.4	-22.5	0	0	0	115.5
686	K	32.2	Very low	29	Very low	161 Å²	161	146.1 Å²	146.1	70%	0.7	70%	0.704	S	S	*	*			trans	26.1	126.4	140.2	-81	171	-176.6	-175.5	0	121.5
687	Y	26.3	Very low	29.1	Very low	210 Å²	210	143 Å²	143	82%	0.824	71%	0.705	S	S	*	*				79.6	128.1	74	-106.9	-103	0	0	0	115.4
688	T	29.2	Very low	29.3	Very low	124 Å²	124	147.2 Å²	147.2	76%	0.761	71%	0.71	S	S	*	*			trans	-160.5	119.4	135.5	22.7	0	0	0	0	106.9
689	E	29.4	Very low	30.2	Very low	121 Å²	121	144.6 Å²	144.6	57%	0.565	71%	0.71	S	S	*	*				76.4	113.9	76.6	-73	-162.4	130.5	0	0	113.2
690	R	30.7	Very low	30.3	Very low	181 Å²	181	144.6 Å²	144.6	68%	0.683	71%	0.714	S	S	*	*				103.6	157.8	92.1	-83.9	-177.6	142.4	162	-31.2	111.4
691	E	27.4	Very low	30.2	Very low	133 Å²	133	146.3 Å²	146.3	62%	0.621	72%	0.718	S	S	*	*			cis	-152.7	147.3	-16.4	-125.5	157.4	-172.1	0	0	110.7
692	V	25.1	Very low	29.8	Very low	132 Å²	132	145.7 Å²	145.7	80%	0.8	73%	0.73	S	S	*	*			trans	6.6	133	140.5	-175.4	0	0	0	0	119.4
693	S	25.6	Very low	29.6	Very low	93 Å²	93	143.1 Å²	143.1	65%	0.65	73%	0.725	S	S	*	*				170.8	129.5	106.7	-156.9	0	0	0	0	118.1
694	T	25.6	Very low	30.2	Very low	116 Å²	116	142.9 Å²	142.9	71%	0.712	73%	0.732	S	S	*	*			trans	52.1	129.7	140.9	53.9	0	0	0	0	126.1
695	K	29.4	Very low	30.3	Very low	175 Å²	175	141.7 Å²	141.7	76%	0.761	73%	0.727	S	S	*	*			trans	93.4	115.5	132.1	-80.7	-175.6	171	-164.8	0	122.7
696	E	33.9	Very low	30.5	Very low	161 Å²	161	145.5 Å²	145.5	75%	0.752	74%	0.738	S	S	*	*				29.5	117.8	129.4	-59.4	170.4	121.7	0	0	120
697	D	26.3	Very low	30.3	Very low	164 Å²	164	142.3 Å²	142.3	88%	0.877	74%	0.742	S	S	*	*				-165.6	175.5	108.8	-124.5	-34.9	0	0	0	114.5
698	K	33.3	Very low	30.5	Very low	190 Å²	190	141.9 Å²	141.9	83%	0.826	74%	0.744	S	S	*	*			trans	-126.9	177.4	169.1	-73.5	-176.3	177	176	0	108.9
699	P	48.8	Very low	31.1	Very low	113 Å²	113	141.8 Å²	141.8	73%	0.734	75%	0.746	S	S	*	*			cis	-135	-140.8	3.9	38.5	-15.6	0	0	0	113.2
700	I	29.5	Very low	30.9	Very low	152 Å²	152	143.3 Å²	143.3	78%	0.779	76%	0.755	S	S	*	*			trans	89.8	143.3	168	-53.3	171.7	0	0	0	115.8
701	Q	29.7	Very low	30.7	Very low	157 Å²	157	144.8 Å²	144.8	73%	0.734	76%	0.76	S	S	*	*			cis	-177.9	137.4	-44.5	178.5	176.4	7.6	0	0	108.7
702	C	23.1	Very low	30.6	Very low	130 Å²	130	143.4 Å²	143.4	88%	0.878	77%	0.771	S	S	*	*			trans	-163.7	161.5	145.9	-108.2	0	0	0	0	113.3
703	T	25.6	Very low	30.6	Very low	98 Å²	98	142.3 Å²	142.3	60%	0.601	78%	0.777	S	S	*	*			trans	-132.8	163.1	-172.9	57.9	0	0	0	0	111.5
704	P	43.6	Very low	30.7	Very low	126 Å²	126	142.5 Å²	142.5	82%	0.818	78%	0.784	S	S	*	*				-127.7	-148.1	105.9	37	-28.1	0	0	0	113.5
705	Q	33.3	Very low	30.7	Very low	135 Å²	135	144.2 Å²	144.2	63%	0.631	79%	0.789	S	S	*	*			trans	-145.8	161.5	-143.8	-61	167.1	22.9	0	0	115.1
706	K	32.8	Very low	30.7	Very low	184 Å²	184	143.8 Å²	143.8	80%	0.8	79%	0.794	S	S	*	*			trans	77.1	143.4	151.9	-72.6	149.9	179.5	161.7	0	118.4
707	A	26.7	Very low	30.4	Very low	93 Å²	93	139.7 Å²	139.7	77%	0.769	79%	0.794	S	S	*	*			cis	-156.9	172.8	-8.6	0	0	0	0	0	113
708	K	31.8	Very low	30.6	Very low	201 Å²	201	143.8 Å²	143.8	87%	0.874	80%	0.798	S	S	*	*			trans	-124.9	166.5	168.9	-60.5	-177.9	179.4	-178.4	0	109.5
709	P	41.3	Very low	30.4	Very low	122 Å²	122	143.8 Å²	143.8	79%	0.792	80%	0.8	S	S	*	*				-152.1	135.4	100.7	39.9	-22.3	0	0	0	114.9
710	M	25.6	Very low	29.6	Very low	154 Å²	154	148.3 Å²	148.3	76%	0.759	81%	0.809	S	S	*	*				94.3	128.2	93.7	-90	-153.1	163	0	0	119.6
711	R	27.1	Very low	29.6	Very low	212 Å²	212	148.9 Å²	148.9	80%	0.8	81%	0.812	S	S	*	*			trans	57.9	105.1	138	-72.1	-174.9	169.6	170.8	-3.7	122.8
712	A	24.2	Very low	29.6	Very low	103 Å²	103	149.4 Å²	149.4	85%	0.851	82%	0.818	S	S	*	*				66	113.7	111.2	0	0	0	0	0	121.5
713	A	25.3	Very low	29.9	Very low	110 Å²	110	154.7 Å²	154.7	91%	0.909	82%	0.82	S	S	*	*			trans	-142.6	164.9	140	0	0	0	0	0	108
714	A	27.5	Very low	30.1	Very low	97 Å²	97	155.7 Å²	155.7	80%	0.802	83%	0.828	S	S	*	*			trans	-133.5	140.4	173	0	0	0	0	0	109.3
715	D	25.4	Very low	29.5	Very low	152 Å²	152	155.6 Å²	155.6	81%	0.813	83%	0.828	S	S	*	*			trans	-161.1	172.7	142.5	-133.7	-32.1	0	0	0	113.7
716	L	29.1	Very low	29.6	Very low	166 Å²	166	156 Å²	156	87%	0.869	84%	0.839	S	S	*	*			trans	-58.5	151	-171.1	-64.7	150.4	0	0	0	116.5
717	G	27.5	Very low	29.3	Very low	74 Å²	74	155.5 Å²	155.5	76%	0.763	84%	0.839	S	S	*	*			trans	-177.7	59.2	174.3	0	0	0	0	0	120.3
718	R	30.8	Very low	29.4	Very low	251 Å²	251	160.6 Å²	160.6	95%	0.947	84%	0.844	S	S	*	*			trans	46	129.7	161.5	-70.7	-173.2	177	-134.5	0.9	120.8
719	E	29.5	Very low	29.2	Very low	189 Å²	189	162.9 Å²	162.9	88%	0.883	85%	0.848	S	S	*	*			trans	-67.3	145.1	164.3	-57.5	169.4	112.4	0	0	113.3
720	K	31.4	Very low	28.4	Very low	209 Å²	209	166.6 Å²	166.6	91%	0.909	85%	0.851	S	S	*	*			trans	-144.6	140.7	147.8	-88	-162.9	176	-177.8	0	110.6
721	I	30.7	Very low	28.7	Very low	164 Å²	164	170.8 Å²	170.8	84%	0.841	86%	0.859	S	S	*	*			trans	-82.6	133.9	-175.5	-61.9	161.9	0	0	0	110.5
722	L	28.8	Very low	28.6	Very low	168 Å²	168	169.1 Å²	169.1	88%	0.88	86%	0.86	S	S	*	*			trans	-136.5	150	164.7	-77.3	175.8	0	0	0	110.9
723	R	29.1	Very low	29.1	Very low	241 Å²	241	170.5 Å²	170.5	91%	0.909	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-83	143.8	-175.2	-62.8	176.5	178.5	169.8	-1.6	111.8
724	P	31.6	Very low	29.2	Very low	119 Å²	119	172.8 Å²	172.8	77%	0.773	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-69.2	162.9	164.5	-17.3	32.1	0	0	0	113
725	P	30.8	Very low	29.7	Very low	124 Å²	124	176.1 Å²	176.1	81%	0.805	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-92.1	170.6	-170.6	-1.8	23	0	0	0	114.5
726	V	34.3	Very low	30.7	Very low	144 Å²	144	173.9 Å²	173.9	87%	0.873	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-82.9	119.6	172.1	177.6	0	0	0	0	110.4
727	E	27.3	Very low	30.8	Very low	172 Å²	172	173.5 Å²	173.5	80%	0.804	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-96.2	143.2	170	-70.6	-159	126.9	0	0	112.9
728	K	28.6	Very low	31.5	Very low	201 Å²	201	181 Å²	181	87%	0.874	84%	0.837	S	S	*	*			trans	-87.7	114.3	-174.2	-61.6	174.7	-178	176.7	0	110.5	K730	K728-K730 PolarHBondContact O-N 3Å; K728-K730 VanDerWaalsContact O-N 3.16Å
729	W	26.8	Very low	32.5	Very low	249 Å²	249	176 Å²	176	94%	0.943	83%	0.825	S	S	*	*			trans	-73.5	106.4	174	-75.4	61.7	0	0	0	110.6
730	K	25.4	Very low	33.6	Very low	199 Å²	199	173 Å²	173	87%	0.865	81%	0.809	S	S	*	*			trans	-64.7	141.9	165.7	-76.2	-175.1	174.5	-177.5	0	109.4	K728	K728-K730 PolarHBondContact O-N 3Å; K728-K730 VanDerWaalsContact O-N 3.16Å
731	R	30.6	Very low	35.3	Very low	243 Å²	243	170.7 Å²	170.7	92%	0.917	79%	0.794	S	S	*	*			trans	-72.5	139.5	165.9	-65.7	177.8	-178.8	150.5	0.3	109.1
732	Q	26	Very low	37.2	Very low	176 Å²	176	163 Å²	163	82%	0.822	76%	0.755	S	S	*	*			trans	-113	132.4	165.7	-167.8	71	26.5	0	0	107.3	D734	Q732-D734 PolarHBondContact O-N 3.41Å
733	D	33.6	Very low	38.3	Very low	133 Å²	133	164.3 Å²	164.3	71%	0.711	75%	0.754	S	S	*	*			trans	-81	95.8	-176.9	-85	-79.2	0	0	0	112.5	K735	D733-K735 PolarHBondContact O-N 3.16Å
734	D	29.4	Very low	40.1	Very low	157 Å²	157	156.1 Å²	156.1	84%	0.84	73%	0.727	S	S	*	*			trans	-82.9	87.4	167.3	-92.3	-38.1	0	0	0	111.4	Q732	Q732-D734 PolarHBondContact O-N 3.41Å
735	K	36.8	Very low	42.3	Very low	168 Å²	168	152.1 Å²	152.1	73%	0.73	70%	0.702	S	S	*	*			trans	-107.4	139.3	166.8	-85	171.7	178.5	152.8	0	111.2	D733	D733-K735 PolarHBondContact O-N 3.16Å
736	D	45.6	Very low	43.9	Very low	105 Å²	105	148.4 Å²	148.4	56%	0.561	69%	0.686	S	S	*	*	S	Bend	trans	62	53	164	-70.2	6.6	0	0	0	119.1	R653	R653-D736 IonicContact CZ-OD1 2.71Å; R653-D736 IonicContact CZ-OD2 3.77Å; R653-D736 VanDerWaalsContact CZ-OD2 3.29Å; R653-D736 IonicContact NH1-OD1 3.37Å; R653-D736 IonicContact NH1-OD2 3.1Å; R653-D736 PolarHBondContact NH1-OD2 3.5Å; R653-D736 VanDerWaalsContact NH2-CG 3.25Å; R653-D736 IonicContact NH2-OD1 3.47Å; R653-D736 PolarHBondContact NH2-OD1 3.44Å; R653-D736 IonicContact NH2-OD2 3.15Å; R653-D736 PolarHBondContact NH2-OD2 2.95Å
737	L	33	Very low	45.6	Very low	157 Å²	157	150.5 Å²	150.5	82%	0.822	68%	0.679	S	S	*	*			trans	-113	11.5	155.2	-74.2	178.3	0	0	0	114.6	E739	L737-E739 VanDerWaalsContact C-N 3.26Å; L737-E739 PolarHBondContact O-N 3.39Å
738	R	41.3	Very low	48	Very low	232 Å²	232	147.1 Å²	147.1	88%	0.875	66%	0.663	S	S	*	*			trans	-85.5	45.2	-175.4	-155.5	-169.8	-58.5	-96.7	-2.6	113.9
739	E	52.6	Low	49.8	Very low	147 Å²	147	141.3 Å²	141.3	69%	0.687	66%	0.66	S	S	*	*			trans	-126.1	139.9	-179.2	-140.7	-170.5	-126.5	0	0	113	L737	L737-E739 VanDerWaalsContact C-N 3.26Å; L737-E739 PolarHBondContact O-N 3.39Å
740	K	51.7	Low	52.2	Low	124 Å²	124	131 Å²	131	54%	0.539	62%	0.622	S	S	.	*			trans	68.8	75.7	175.8	-54.1	172.1	-178.5	94.3	0	115.6	G749 I751	K740-G749 PolarHBondContact O-N 3.31Å; K740-I751 HydrophobicContact CB-CG2 4.11Å; K740-I751 HydrophobicContact CD-CG2 4.06Å; K740-I751 HydrophobicContact CG-CG2 4.14Å
741	R	67.5	Low	54.6	Low	162 Å²	162	124.8 Å²	124.8	61%	0.611	60%	0.597	S	S	*	*	B	Isolated β-bridge	trans	-85.6	145.6	155.6	-77.9	-178.6	-176.3	-132.9	-0.1	111.2	R747 E748	R741-R747 WeakPolarHBondContact CA-O 3.4Å; R741-E748 HydrophobicContact CG-CB 4.42Å; R741-E748 HydrophobicContact CG-CG 3.33Å; R741-E748 VanDerWaalsContact CZ-CD 3.42Å; R741-E748 IonicContact CZ-OE1 2.78Å; R741-E748 IonicContact CZ-OE2 3.86Å; R741-E748 VanDerWaalsContact NE-CD 3.26Å; R741-E748 VanDerWaalsContact NE-CG 3.3Å; R741-E748 IonicContact NE-OE1 3.34Å; R741-E748 PolarHBondContact NE-OE1 3.32Å; R741-E748 IonicContact NH2-OE1 3.7Å; R741-E748 PolarHBondContact NH2-OE1 3.23Å; R741-E748 IonicContact NH2-OE2 2.98Å; R741-E748 PolarHBondContact NH2-OE2 3.39Å; R741-E748 VanDerWaalsContact NH2-OE2 3.1Å
742	C	70.6	Confident	56.4	Low	2 Å²	2	118.7 Å²	118.7	1%	0.014	58%	0.578	C	S	.	*			trans	-81.2	118.6	-179.3	-179.2	0	0	0	0	112.3	I744 C745 G746 R747 H750 C755	C742-I744 PolarHBondContact O-N 2.91Å; C742-C745 PolarHBondContact O-N 3.44Å; C742-G746 WeakPolarHBondContact O-CA 3.36Å; C742-G746 PolarHBondContact O-N 2.64Å; C742-R747 PolarHBondContact N-O 3.38Å; C742-H750 VanDerWaalsContact CB-NE2 3.26Å; C742-H750 WeakPolarHBondContact CB-NE2 3.22Å; C742-H750 WeakPolarHBondContact CB-O 3.36Å; C742-H750 PolarHBondContact N-O 2.82Å; C742-H750 PolarHBondContact SG-NE2 3.04Å; C742-C755 VanDerWaalsContact SG-CB 3.52Å; C742-C755 VanDerWaalsContact SG-SG 3.62Å
743	F	51.3	Low	58.3	Low	196 Å²	196	118.1 Å²	118.1	86%	0.86	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.8	-10.3	-178.3	-159.9	-92.6	0	0	0	115.1
744	I	67.8	Low	59.7	Low	68 Å²	68	117.5 Å²	117.5	35%	0.349	57%	0.565	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.7	-34.1	177.5	-64	178.6	0	0	0	111.9	C742 K752 Q757 F758	C742-I744 PolarHBondContact O-N 2.91Å; I744-K752 HydrophobicContact CD1-CD 4.45Å; I744-K752 HydrophobicContact CD1-CG 3.78Å; I744-K752 HydrophobicContact CG1-CG 4.22Å; I744-Q757 HydrophobicContact CG2-CB 3.93Å; I744-F758 HydrophobicContact CD1-CB 4.04Å; I744-F758 HydrophobicContact CD1-CD2 3.84Å; I744-F758 HydrophobicContact CD1-CG 4.34Å
745	C	76.7	Confident	61.7	Low	36 Å²	36	110.1 Å²	110.1	24%	0.243	53%	0.526	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.1	3.7	-170.3	72.9	0	0	0	0	115.5	C742 R747 H750 Q757	C742-C745 PolarHBondContact O-N 3.44Å; C745-R747 PolarHBondContact O-N 3.09Å; C745-H750 PolarHBondContact SG-CE1 2.9Å; C745-Q757 VanDerWaalsContact CB-OE1 3.29Å
746	G	65.6	Low	63.3	Low	46 Å²	46	107.5 Å²	107.5	47%	0.474	53%	0.526	S	S	.	.			trans	72.8	-20.8	177.7	0	0	0	0	0	116.3	C742	C742-G746 WeakPolarHBondContact O-CA 3.36Å; C742-G746 PolarHBondContact O-N 2.64Å
747	R	68.4	Low	64.4	Low	188 Å²	188	108.3 Å²	108.3	71%	0.709	53%	0.526	S	S	*	.			trans	-67.2	152.4	-176.3	-55.9	-177.9	-171.2	-169.9	0.9	112.9	R741 C742 C745	R741-R747 WeakPolarHBondContact CA-O 3.4Å; C742-R747 PolarHBondContact N-O 3.38Å; C745-R747 PolarHBondContact O-N 3.09Å
748	E	78.6	Confident	66	Low	101 Å²	101	105.4 Å²	105.4	47%	0.472	51%	0.507	S	S	.	.	B	Isolated β-bridge	trans	-78.8	171.6	174.2	-76.4	175.1	147.8	0	0	112.8	R741 H750	R741-E748 HydrophobicContact CG-CB 4.42Å; R741-E748 HydrophobicContact CG-CG 3.33Å; R741-E748 VanDerWaalsContact CZ-CD 3.42Å; R741-E748 IonicContact CZ-OE1 2.78Å; R741-E748 IonicContact CZ-OE2 3.86Å; R741-E748 VanDerWaalsContact NE-CD 3.26Å; R741-E748 VanDerWaalsContact NE-CG 3.3Å; R741-E748 IonicContact NE-OE1 3.34Å; R741-E748 PolarHBondContact NE-OE1 3.32Å; R741-E748 IonicContact NH2-OE1 3.7Å; R741-E748 PolarHBondContact NH2-OE1 3.23Å; R741-E748 IonicContact NH2-OE2 2.98Å; R741-E748 PolarHBondContact NH2-OE2 3.39Å; R741-E748 VanDerWaalsContact NH2-OE2 3.1Å; E748-H750 PolarHBondContact O-N 3.25Å; E748-H750 PolarHBondContact O-ND1 3.38Å
749	G	66.1	Low	66.2	Low	78 Å²	78	103 Å²	103	80%	0.804	50%	0.503	S	S	*	.	S	Bend	trans	82.6	3.2	167.5	0	0	0	0	0	116.7	K740	K740-G749 PolarHBondContact O-N 3.31Å
750	H	76.8	Confident	65.9	Low	32 Å²	32	99.4 Å²	99.4	15%	0.148	51%	0.505	C	S	.	.			trans	-157	155.7	176.9	71.4	-77.4	0	0	0	113.3	C742 C745 E748 E754 C755	C742-H750 VanDerWaalsContact CB-NE2 3.26Å; C742-H750 WeakPolarHBondContact CB-NE2 3.22Å; C742-H750 WeakPolarHBondContact CB-O 3.36Å; C742-H750 PolarHBondContact N-O 2.82Å; C742-H750 PolarHBondContact SG-NE2 3.04Å; C745-H750 PolarHBondContact SG-CE1 2.9Å; E748-H750 PolarHBondContact O-N 3.25Å; E748-H750 PolarHBondContact O-ND1 3.38Å; H750-E754 WeakPolarHBondContact CA-OE2 3.35Å; H750-E754 HydrophobicContact CB-CB 3.98Å; H750-C755 VanDerWaalsContact CD2-CA 3.48Å; H750-C755 WeakPolarHBondContact CD2-CA 3.29Å
751	I	77.3	Confident	65.5	Low	69 Å²	69	98.3 Å²	98.3	35%	0.354	51%	0.514	S	S	.	.			trans	-99.1	170.7	176.4	60.5	157.4	0	0	0	112.6	K740 K753 E754 C755	K740-I751 HydrophobicContact CB-CG2 4.11Å; K740-I751 HydrophobicContact CD-CG2 4.06Å; K740-I751 HydrophobicContact CG-CG2 4.14Å; I751-K753 PolarHBondContact O-N 2.99Å; I751-E754 HydrophobicContact CG1-CG 4.44Å; I751-E754 VanDerWaalsContact CG1-OE1 3.24Å; I751-E754 WeakPolarHBondContact CG1-OE1 3.48Å; I751-E754 WeakPolarHBondContact CG1-OE2 3.09Å; I751-E754 PolarHBondContact N-OE2 3.2Å; I751-E754 PolarHBondContact O-N 2.83Å; I751-C755 PolarHBondContact O-N 3.04Å
752	K	68.1	Low	64	Low	116 Å²	116	96.3 Å²	96.3	50%	0.504	53%	0.525	S	S	.	.	G	3₁₀ helix	trans	-47.2	-37.4	-176.3	-176.9	174.8	178.9	176.7	0	114.4	I744 E754 F758	I744-K752 HydrophobicContact CD1-CD 4.45Å; I744-K752 HydrophobicContact CD1-CG 3.78Å; I744-K752 HydrophobicContact CG1-CG 4.22Å; K752-E754 VanDerWaalsContact C-N 3.33Å; K752-E754 PolarHBondContact O-N 3.21Å; K752-F758 HydrophobicContact CG-CD2 4.39Å; K752-F758 WeakPolarHBondContact O-CB 3.38Å; K752-F758 WeakPolarHBondContact O-CG 3.09Å
753	K	65.9	Low	62.2	Low	164 Å²	164	100.4 Å²	100.4	71%	0.713	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-71.9	-22.6	-178.5	-68	-176.2	177.5	-179.9	0	114.2	I751	I751-K753 PolarHBondContact O-N 2.99Å
754	E	63	Low	61.2	Low	119 Å²	119	96.9 Å²	96.9	56%	0.556	57%	0.566	S	S	*	*	G	3₁₀ helix	trans	-98.8	-8.3	-177.1	-69.3	136.7	-155.5	0	0	112.4	H750 I751 K752	H750-E754 WeakPolarHBondContact CA-OE2 3.35Å; H750-E754 HydrophobicContact CB-CB 3.98Å; I751-E754 HydrophobicContact CG1-CG 4.44Å; I751-E754 VanDerWaalsContact CG1-OE1 3.24Å; I751-E754 WeakPolarHBondContact CG1-OE1 3.48Å; I751-E754 WeakPolarHBondContact CG1-OE2 3.09Å; I751-E754 PolarHBondContact N-OE2 3.2Å; I751-E754 PolarHBondContact O-N 2.83Å; K752-E754 VanDerWaalsContact C-N 3.33Å; K752-E754 PolarHBondContact O-N 3.21Å
755	C	71.1	Confident	59.5	Low	3 Å²	3	101.8 Å²	101.8	2%	0.02	59%	0.593	C	S	.	*			trans	-64.3	129.2	-175.8	-171	0	0	0	0	111	C742 H750 I751 Q757 F758	C742-C755 VanDerWaalsContact SG-CB 3.52Å; C742-C755 VanDerWaalsContact SG-SG 3.62Å; H750-C755 VanDerWaalsContact CD2-CA 3.48Å; H750-C755 WeakPolarHBondContact CD2-CA 3.29Å; I751-C755 PolarHBondContact O-N 3.04Å; C755-Q757 PolarHBondContact O-N 3.33Å; C755-Q757 VanDerWaalsContact O-N 3.14Å; C755-F758 HydrophobicContact CB-CB 4.08Å; C755-F758 VanDerWaalsContact O-CB 3.29Å; C755-F758 WeakPolarHBondContact O-CB 3.19Å; C755-F758 PolarHBondContact O-N 2.89Å
756	P	69.9	Low	57.2	Low	112 Å²	112	105.5 Å²	105.5	73%	0.727	62%	0.619	S	S	*	*	G	3₁₀ helix	trans	-54.8	-34.5	176.4	-28.1	35.9	0	0	0	113.2	F758	P756-F758 VanDerWaalsContact C-N 3.29Å; P756-F758 PolarHBondContact O-N 3.37Å
757	Q	68.5	Low	55.5	Low	122 Å²	122	108.4 Å²	108.4	57%	0.57	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-72.7	-16.2	177.7	-65.3	172.6	-28.5	0	0	113.6	I744 C745 C755 K759 G760	I744-Q757 HydrophobicContact CG2-CB 3.93Å; C745-Q757 VanDerWaalsContact CB-OE1 3.29Å; C755-Q757 PolarHBondContact O-N 3.33Å; C755-Q757 VanDerWaalsContact O-N 3.14Å; Q757-K759 VanDerWaalsContact C-N 3.32Å; Q757-K759 PolarHBondContact O-N 3.21Å; Q757-G760 PolarHBondContact O-N 3.11Å
758	F	67	Low	53.8	Low	96 Å²	96	108.3 Å²	108.3	42%	0.421	64%	0.636	S	S	.	*	G	3₁₀ helix	trans	-75.1	-18.8	179.3	-174.6	-117.2	0	0	0	113.3	I744 K752 C755 P756	I744-F758 HydrophobicContact CD1-CB 4.04Å; I744-F758 HydrophobicContact CD1-CD2 3.84Å; I744-F758 HydrophobicContact CD1-CG 4.34Å; K752-F758 HydrophobicContact CG-CD2 4.39Å; K752-F758 WeakPolarHBondContact O-CB 3.38Å; K752-F758 WeakPolarHBondContact O-CG 3.09Å; C755-F758 HydrophobicContact CB-CB 4.08Å; C755-F758 VanDerWaalsContact O-CB 3.29Å; C755-F758 WeakPolarHBondContact O-CB 3.19Å; C755-F758 PolarHBondContact O-N 2.89Å; P756-F758 VanDerWaalsContact C-N 3.29Å; P756-F758 PolarHBondContact O-N 3.37Å
759	K	46.6	Very low	51.5	Low	182 Å²	182	113.9 Å²	113.9	79%	0.791	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-98.7	15.5	175.9	-73.9	-171.2	175.1	-179.1	0	114.2	Q757 S761	Q757-K759 VanDerWaalsContact C-N 3.32Å; Q757-K759 PolarHBondContact O-N 3.21Å; K759-S761 VanDerWaalsContact C-N 3.31Å; K759-S761 PolarHBondContact O-N 3.44Å
760	G	44.7	Very low	49.8	Very low	71 Å²	71	118.6 Å²	118.6	73%	0.732	66%	0.658	S	S	*	*	S	Bend	trans	-74.8	-10.3	178.9	0	0	0	0	0	115.8	Q757	Q757-G760 PolarHBondContact O-N 3.11Å
761	S	43.7	Very low	47.6	Very low	102 Å²	102	123.4 Å²	123.4	71%	0.713	69%	0.69	S	S	*	*	S	Bend	trans	-149	73.6	-166.7	63.9	0	0	0	0	114.5	K759	K759-S761 VanDerWaalsContact C-N 3.31Å; K759-S761 PolarHBondContact O-N 3.44Å
762	S	37.3	Very low	45.4	Very low	120 Å²	120	129.7 Å²	129.7	84%	0.839	72%	0.718	S	S	*	*			trans	-167.9	100.3	152.7	27.6	0	0	0	0	112.1
763	G	32.9	Very low	43.6	Very low	87 Å²	87	127.7 Å²	127.7	90%	0.897	73%	0.73	S	S	*	*			trans	-107.8	98.3	168	0	0	0	0	0	111.6
764	S	30.1	Very low	41.7	Very low	122 Å²	122	130.3 Å²	130.3	85%	0.853	74%	0.742	S	S	*	*			trans	-169.1	158.1	145.5	-162.4	0	0	0	0	110.2
765	L	31.4	Very low	40.1	Very low	172 Å²	172	128.8 Å²	128.8	90%	0.901	75%	0.75	S	S	*	*			trans	-94.3	157.4	-169.8	-77.8	122.7	0	0	0	114.5
766	S	29.4	Very low	38	Very low	113 Å²	113	134.3 Å²	134.3	79%	0.79	79%	0.788	S	S	*	*			trans	-60.4	142.1	171.7	155.1	0	0	0	0	113.2
767	S	28.6	Very low	36.2	Very low	107 Å²	107	133.2 Å²	133.2	75%	0.748	79%	0.789	S	S	*	*			trans	-146.1	130.9	136.6	-168.8	0	0	0	0	111.6
768	K	32.1	Very low	34.3	Very low	186 Å²	186	136.3 Å²	136.3	81%	0.809	80%	0.8	S	S	*	*			trans	-114.5	122.2	161.7	-73	-179.1	177.4	-178.6	0	106.9
769	Y	31.3	Very low	32.7	Very low	218 Å²	218	142.4 Å²	142.4	86%	0.855	82%	0.821	S	S	*	*			trans	-146.1	167.2	157.9	-92.5	-65.8	0	0	0	112.5
770	M	30.6	Very low	32	Very low	177 Å²	177	138.6 Å²	138.6	87%	0.872	81%	0.813	S	S	*	*			trans	-81.9	154.7	-147.4	-58.6	166.6	83.6	0	0	115.3
771	T	30.8	Very low	31.4	Very low	134 Å²	134	142.6 Å²	142.6	82%	0.822	81%	0.812	S	S	*	*			trans	-82.6	117.6	156.7	49.2	0	0	0	0	111.1
772	Q	31.1	Very low	30.9	Very low	200 Å²	200	144.1 Å²	144.1	94%	0.935	81%	0.808	S	S	*	*			trans	-171.9	135.7	136.9	-105.5	177.4	27.6	0	0	108.7
773	G	28.9	Very low	30.8	Very low	75 Å²	75	145.9 Å²	145.9	77%	0.773	80%	0.803	S	S	*	*			trans	-112.6	172	-173.2	0	0	0	0	0	113.9
774	K	27.6	Very low	31.3	Very low	218 Å²	218	151.1 Å²	151.1	95%	0.948	83%	0.826	S	S	*	*			trans	-154.3	163.3	160.5	-114.4	166.9	-173.9	175	0	111.3
775	A	27.8	Very low	31.3	Very low	88 Å²	88	152.6 Å²	152.6	73%	0.727	82%	0.824	S	S	*	*			trans	-91.2	170.8	-154.7	0	0	0	0	0	116.1
776	S	28.6	Very low	31.3	Very low	118 Å²	118	151.5 Å²	151.5	83%	0.825	82%	0.82	S	S	*	*			trans	80.3	104.7	142.9	-65.6	0	0	0	0	121.2
777	A	30.8	Very low	31.4	Very low	90 Å²	90	153.7 Å²	153.7	74%	0.744	82%	0.822	S	S	*	*				116	155.7	103.8	0	0	0	0	0	119.5
778	K	28.9	Very low	31.6	Very low	187 Å²	187	156.4 Å²	156.4	81%	0.813	83%	0.827	S	S	*	*			trans	75	114.1	175.8	-68.2	175.1	-177.9	175.6	0	113.7
779	R	34	Very low	31.6	Very low	224 Å²	224	154.6 Å²	154.6	85%	0.845	83%	0.828	S	S	*	*				77.2	135.5	79.1	-80.5	-168.2	175	-176.9	-2.2	111
780	T	30.7	Very low	31.6	Very low	102 Å²	102	150.3 Å²	150.3	63%	0.626	83%	0.826	S	S	*	*			cis	-156.2	170.8	15.1	-6	0	0	0	0	112.5
781	Q	33.5	Very low	31.7	Very low	154 Å²	154	148.4 Å²	148.4	72%	0.72	82%	0.823	S	S	*	*			trans	-0.6	155.8	140.7	-59.1	165.8	-82.7	0	0	118.1
782	Q	33.2	Very low	31.7	Very low	135 Å²	135	149.5 Å²	149.5	63%	0.631	82%	0.823	S	S	*	*			cis	-159.7	173.1	-7.1	-115	158.5	-102.6	0	0	103.5
783	E	34.9	Very low	31.8	Very low	156 Å²	156	145.3 Å²	145.3	73%	0.729	81%	0.813	S	S	*	*			cis	-177.9	177.4	34.7	-142.2	150.3	-134.5	0	0	107.5
784	S	42.8	Very low	32.1	Very low	197 Å²	197	151.7 Å²	151.7	100%	1.378	82%	0.817	S	S	*	*			trans	82.1	0	-177.8	-38	0	0	0	0	115.1

Retrieved 784 of 784 residues in 164.5 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).