X5M907_CAEEL Loading...

poly(ADP-ribose) glycohydrolase

AlphaFold DB , UniProt , Accession X5M907, Species CAEEL (Caenorhabditis elegans), Gene parg-1, Length 779 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.7	Very low	29.2	Very low	235 Å²	235	145.6 Å²	145.6	100%	1.158	76%	0.761	S	S	*	*				0	169.5	0	-62.6	179.1	-172.7	0	0	108.6
2	S	26	Very low	29.2	Very low	97 Å²	97	143.3 Å²	143.3	68%	0.678	76%	0.757	S	S	*	*			trans	23.8	117.1	154.7	48.8	0	0	0	0	119.2
3	K	29.6	Very low	29.1	Very low	195 Å²	195	142.2 Å²	142.2	85%	0.848	76%	0.76	S	S	*	*				63	139.8	82.3	-70.5	179.8	179	178	0	113.1
4	K	33.5	Very low	29	Very low	151 Å²	151	142.4 Å²	142.4	66%	0.657	75%	0.754	S	S	*	*			cis	-165.4	163.1	-1.7	-130.1	-172.1	176.2	-158	0	108.4	I6	K4-I6 HydrophobicContact CD-CD1 3.79Å; K4-I6 VanDerWaalsContact CE-CD1 3.42Å; K4-I6 HydrophobicContact CG-CD1 4.38Å
5	F	24.8	Very low	28.8	Very low	184 Å²	184	142 Å²	142	81%	0.807	75%	0.752	S	S	*	*				157.4	127.2	128.1	-92	-81.3	0	0	0	108.1
6	I	31.3	Very low	28.6	Very low	83 Å²	83	145.4 Å²	145.4	43%	0.426	76%	0.763	S	S	.	*			cis	74.6	122.2	37.4	-62.4	-172.2	0	0	0	111.6	K4	K4-I6 HydrophobicContact CD-CD1 3.79Å; K4-I6 VanDerWaalsContact CE-CD1 3.42Å; K4-I6 HydrophobicContact CG-CD1 4.38Å
7	E	29.1	Very low	28.4	Very low	159 Å²	159	147.6 Å²	147.6	74%	0.743	77%	0.765	S	S	*	*			cis	-154.5	-175.5	-7.7	-118.3	146.8	-131.1	0	0	106.8
8	L	25.9	Very low	28.4	Very low	163 Å²	163	146.3 Å²	146.3	85%	0.853	76%	0.759	S	S	*	*			cis	-144.6	-128.7	23.2	-146.2	173.7	0	0	0	109.7
9	G	25.2	Very low	28.2	Very low	58 Å²	58	150.1 Å²	150.1	60%	0.598	76%	0.764	S	S	*	*			trans	-174.8	169.1	175.7	0	0	0	0	0	113.7
10	D	25.7	Very low	28.1	Very low	167 Å²	167	151.4 Å²	151.4	89%	0.893	77%	0.767	S	S	*	*			trans	-127.7	159	178.3	-88.2	-50.1	0	0	0	111.2
11	P	38.9	Very low	28.1	Very low	110 Å²	110	151.1 Å²	151.1	71%	0.714	77%	0.768	S	S	*	*			trans	-96.9	139.2	-172.1	35.8	-34.2	0	0	0	116.6
12	V	29.6	Very low	27.7	Very low	118 Å²	118	150.6 Å²	150.6	72%	0.715	75%	0.754	S	S	*	*			trans	12.6	127.6	132	-164.5	0	0	0	0	116.2	Q14	V12-Q14 HydrophobicContact CG1-CB 4.47Å
13	T	28.1	Very low	27.7	Very low	128 Å²	128	151.3 Å²	151.3	79%	0.785	76%	0.755	S	S	*	*				-134.2	146.3	51.3	51.5	0	0	0	0	113.6
14	Q	28.2	Very low	27.3	Very low	145 Å²	145	145.7 Å²	145.7	68%	0.678	75%	0.752	S	S	*	*				70.1	117.8	51.1	-139.4	70.4	53.6	0	0	111.3	V12	V12-Q14 HydrophobicContact CG1-CB 4.47Å
15	D	25.2	Very low	27	Very low	137 Å²	137	144.4 Å²	144.4	73%	0.733	76%	0.756	S	S	*	*			cis	-134.2	130.1	4.7	-81.5	-63.1	0	0	0	111.5
16	E	26.5	Very low	26.9	Very low	197 Å²	197	139.2 Å²	139.2	92%	0.921	76%	0.755	S	S	*	*			trans	-168.8	86.2	151.3	-145.2	175	-144.4	0	0	110.1
17	K	24.8	Very low	26.7	Very low	182 Å²	182	144.3 Å²	144.3	79%	0.791	77%	0.774	S	S	*	*			trans	-174.2	156.3	177.7	-106	170.8	161.3	-83.4	0	109.8
18	D	27.4	Very low	26.4	Very low	125 Å²	125	140 Å²	140	67%	0.668	77%	0.766	S	S	*	*			cis	-124.9	154.5	2.1	-79.6	-73.6	0	0	0	111.1
19	Y	25.1	Very low	26.4	Very low	218 Å²	218	140.1 Å²	140.1	86%	0.855	76%	0.762	S	S	*	*			trans	-129.2	137.7	166.5	-139.6	-91.2	0	0	0	106.3
20	E	27.1	Very low	26.3	Very low	175 Å²	175	145.4 Å²	145.4	82%	0.818	77%	0.771	S	S	*	*			trans	63.8	106.7	-177.6	-46.6	-169.3	153.2	0	0	116.7
21	D	27.1	Very low	26.4	Very low	146 Å²	146	144 Å²	144	78%	0.781	77%	0.768	S	S	*	*				-172	102.9	122.2	-121.6	-18.3	0	0	0	113.1
22	Y	23.3	Very low	26.2	Very low	224 Å²	224	144 Å²	144	88%	0.878	77%	0.768	S	S	*	*				-177.3	145.6	113.3	-126.3	-98.4	0	0	0	112
23	V	24.8	Very low	25.9	Very low	113 Å²	113	144.3 Å²	144.3	69%	0.685	77%	0.771	S	S	*	*			trans	-113.4	136.7	-166	178.3	0	0	0	0	113.4	V25	V23-V25 HydrophobicContact CG1-CG1 3.83Å
24	G	22.6	Very low	25.8	Very low	77 Å²	77	146.4 Å²	146.4	79%	0.794	77%	0.774	S	S	*	*			trans	-109.2	128.4	155.3	0	0	0	0	0	110.1
25	V	27.1	Very low	25.6	Very low	123 Å²	123	149.1 Å²	149.1	75%	0.745	78%	0.783	S	S	*	*			trans	-95.4	139.6	-163.3	-84.1	0	0	0	0	115.8	V23	V23-V25 HydrophobicContact CG1-CG1 3.83Å
26	G	22.9	Very low	25.6	Very low	76 Å²	76	152.9 Å²	152.9	78%	0.784	79%	0.787	S	S	*	*			trans	-149.5	131.8	161.6	0	0	0	0	0	109.6
27	F	25.3	Very low	25.5	Very low	189 Å²	189	153 Å²	153	83%	0.829	78%	0.779	S	S	*	*			trans	-95.1	130.5	-158.9	-93.6	-104.5	0	0	0	116.2
28	A	24.7	Very low	25.5	Very low	68 Å²	68	152.1 Å²	152.1	56%	0.562	78%	0.775	S	S	*	*				49.5	136.1	129.7	0	0	0	0	0	120.4
29	H	25.4	Very low	25.4	Very low	167 Å²	167	152.7 Å²	152.7	77%	0.773	78%	0.778	S	S	*	*				-148.8	128.3	68	-90.1	58.9	0	0	0	117
30	Q	23.5	Very low	25.4	Very low	168 Å²	168	147.2 Å²	147.2	79%	0.785	77%	0.767	S	S	*	*			trans	49.2	101.6	130.2	-62.6	-172.1	-12.9	0	0	122.7
31	V	26	Very low	25.5	Very low	137 Å²	137	146.3 Å²	146.3	83%	0.83	76%	0.763	S	S	*	*			trans	-47.4	164.5	134	-101.9	0	0	0	0	113
32	P	34.9	Very low	25.5	Very low	110 Å²	110	147.6 Å²	147.6	71%	0.714	76%	0.764	S	S	*	*			cis	-141.7	-169.4	39.6	37.5	-12.7	0	0	0	114.6
33	T	24.3	Very low	25.7	Very low	126 Å²	126	140.7 Å²	140.7	77%	0.773	76%	0.76	S	S	*	*			cis	-158.5	148.8	23.7	-30	0	0	0	0	113.3
34	M	24.8	Very low	25.8	Very low	172 Å²	172	142.6 Å²	142.6	85%	0.847	77%	0.766	S	S	*	*			trans	-81.7	160.7	161.4	-54.5	175.8	-179.2	0	0	112.1
35	K	25	Very low	26.1	Very low	202 Å²	202	143.9 Å²	143.9	88%	0.878	76%	0.759	S	S	*	*				-174.9	144.6	112.5	-100.9	158	-173.6	171.7	0	116.8
36	R	24.8	Very low	26.2	Very low	215 Å²	215	143.3 Å²	143.3	81%	0.811	76%	0.756	S	S	*	*			trans	-38.8	163.7	152.8	-65.1	167.9	163.2	168.1	-5.2	112.9
37	R	24.6	Very low	26.5	Very low	200 Å²	200	147.9 Å²	147.9	76%	0.755	76%	0.757	S	S	*	*			cis	-176	153	37.2	-145.7	167.8	-168	-179.4	2.9	112.6
38	K	25.5	Very low	26.7	Very low	163 Å²	163	143.2 Å²	143.2	71%	0.709	75%	0.748	S	S	*	*			trans	54.9	132.2	142.2	-93.1	-175.8	164.2	-159.7	0	122.5
39	L	25	Very low	27	Very low	138 Å²	138	147.3 Å²	147.3	72%	0.723	75%	0.753	S	S	*	*			trans	68.7	157	142.1	-62.2	167.8	0	0	0	116.7
40	T	25.5	Very low	27.2	Very low	103 Å²	103	146.8 Å²	146.8	63%	0.632	75%	0.751	S	S	*	*			cis	-154.8	147.7	9.2	-9.2	0	0	0	0	111.7
41	E	27.8	Very low	27.7	Very low	155 Å²	155	146.2 Å²	146.2	72%	0.724	75%	0.753	S	S	*	*			trans	75.5	143.6	135.2	-84.1	178.4	155.6	0	0	127.8
42	H	28.7	Very low	29	Very low	174 Å²	174	144.9 Å²	144.9	81%	0.806	75%	0.747	S	S	*	*			trans	69.6	130.6	148.4	-76.3	75.7	0	0	0	122.5
43	G	26.7	Very low	28.8	Very low	78 Å²	78	148.3 Å²	148.3	80%	0.804	75%	0.754	S	S	*	*			trans	172	79.6	174.2	0	0	0	0	0	115.4
44	N	27.2	Very low	29.3	Very low	153 Å²	153	150.5 Å²	150.5	82%	0.818	76%	0.755	S	S	*	*			trans	-78.1	169.3	172.4	-93.5	-7	0	0	0	111.4
45	T	28.4	Very low	30.3	Very low	104 Å²	104	146.6 Å²	146.6	64%	0.638	74%	0.743	S	S	*	*			cis	-168.8	168.5	15	-0.7	0	0	0	0	111.3
46	T	29.2	Very low	30.6	Very low	111 Å²	111	145.8 Å²	145.8	68%	0.681	74%	0.739	S	S	*	*			trans	61.1	151.1	148.8	52.1	0	0	0	0	120.2
47	E	30	Very low	30.8	Very low	173 Å²	173	140 Å²	140	81%	0.808	73%	0.731	S	S	*	*			cis	-158.2	177.3	-7.2	-124.2	164.6	-170.1	0	0	113.1
48	S	28.6	Very low	31.2	Very low	91 Å²	91	140.6 Å²	140.6	64%	0.636	73%	0.734	S	S	*	*			trans	-40	176.3	174.4	64	0	0	0	0	120.2
49	K	30.5	Very low	31.5	Very low	153 Å²	153	138.1 Å²	138.1	67%	0.665	73%	0.728	S	S	*	*			cis	-174	165	30.1	-140.9	151.2	168.2	-80.5	0	113.3
50	E	29.6	Very low	31.7	Very low	156 Å²	156	136.6 Å²	136.6	73%	0.729	73%	0.725	S	S	*	*			trans	70.8	120.9	146.7	-88.5	147.3	-173.5	0	0	125.2
51	D	35.2	Very low	31.7	Very low	157 Å²	157	141.1 Å²	141.1	84%	0.84	74%	0.736	S	S	*	*			trans	-72.8	-174.9	148.5	-79	-58.8	0	0	0	111.4
52	P	53.9	Low	31.7	Very low	108 Å²	108	139.8 Å²	139.8	70%	0.701	74%	0.738	S	S	*	*			cis	-140.8	-164	7.7	28.8	-1.1	0	0	0	116.5
53	E	28.8	Very low	31.8	Very low	183 Å²	183	136.8 Å²	136.8	86%	0.855	74%	0.737	S	S	*	*			trans	115.5	114.6	144.7	-58	-149.9	138.8	0	0	120.6
54	E	35.5	Very low	31.9	Very low	172 Å²	172	138 Å²	138	80%	0.804	73%	0.732	S	S	*	*			trans	-83.2	159.3	152.3	-141.6	-158.9	-115.2	0	0	108.6
55	P	45.1	Very low	32.2	Very low	90 Å²	90	139.5 Å²	139.5	58%	0.584	74%	0.735	S	S	*	*				-165.2	168.4	79.5	43.7	-22.8	0	0	0	119.8
56	K	32.4	Very low	32.3	Very low	185 Å²	185	139.1 Å²	139.1	80%	0.804	74%	0.736	S	S	*	*			trans	68.2	152	143.1	-76.2	158.1	-164	157.3	0	119.7
57	S	29.6	Very low	32.3	Very low	92 Å²	92	138.2 Å²	138.2	64%	0.643	74%	0.735	S	S	*	*			cis	-175.8	161.1	-5.9	54.6	0	0	0	0	114.8
58	R	31.5	Very low	32.2	Very low	214 Å²	214	137 Å²	137	81%	0.808	73%	0.733	S	S	*	*			trans	76.9	152.5	140.7	-82.8	-179.4	135.3	132.8	7.5	120.8
59	D	31.6	Very low	32.4	Very low	111 Å²	111	141.1 Å²	141.1	59%	0.594	74%	0.743	S	S	*	*			cis	-162.9	163.7	-9.8	-129.4	-10.5	0	0	0	114.7
60	V	29.1	Very low	32.3	Very low	106 Å²	106	139.3 Å²	139.3	64%	0.642	75%	0.75	S	S	*	*			trans	69.4	156.8	150.5	161	0	0	0	0	116
61	F	25.8	Very low	32.3	Very low	198 Å²	198	139.1 Å²	139.1	87%	0.868	75%	0.749	S	S	*	*			cis	-121.7	-162.1	21.3	-111.4	-60.2	0	0	0	115.4
62	V	29.4	Very low	32.1	Very low	127 Å²	127	139 Å²	139	77%	0.77	74%	0.743	S	S	*	*			trans	-156	162.9	-158.3	126.5	0	0	0	0	115.3
63	S	30	Very low	30.9	Very low	111 Å²	111	140.3 Å²	140.3	78%	0.776	74%	0.744	S	S	*	*			trans	85.4	156.6	163.4	78.8	0	0	0	0	118.8
64	S	29.3	Very low	30.9	Very low	102 Å²	102	136.7 Å²	136.7	71%	0.713	74%	0.739	S	S	*	*			cis	-145.3	146.6	8.1	29.9	0	0	0	0	110.2
65	Q	32	Very low	30.5	Very low	186 Å²	186	132.7 Å²	132.7	87%	0.869	74%	0.735	S	S	*	*				58.8	140.4	77.6	-81.2	-177.8	-16.7	0	0	115.1
66	S	30.5	Very low	29.9	Very low	95 Å²	95	137.3 Å²	137.3	66%	0.664	75%	0.749	S	S	*	*			cis	-164.8	165.4	0.1	54.9	0	0	0	0	113.1
67	S	30.1	Very low	29.8	Very low	93 Å²	93	135.5 Å²	135.5	65%	0.65	75%	0.748	S	S	*	*			trans	57.8	171.9	145.5	69.5	0	0	0	0	119.3
68	D	27.8	Very low	30.8	Very low	146 Å²	146	135.6 Å²	135.6	78%	0.781	75%	0.746	S	S	*	*			cis	-144.3	-172.7	15.1	-102.4	-58.7	0	0	0	113.5
69	E	32.5	Very low	31	Very low	178 Å²	178	133.4 Å²	133.4	83%	0.832	75%	0.746	S	S	*	*			trans	-89.3	-171.5	-167.3	-51.1	-178.8	121.6	0	0	117.2
70	S	28.9	Very low	31	Very low	116 Å²	116	135 Å²	135	81%	0.811	75%	0.753	S	S	*	*			trans	94.5	161.7	162.5	77.1	0	0	0	0	119.4
71	Q	29.1	Very low	31	Very low	152 Å²	152	133.9 Å²	133.9	71%	0.71	75%	0.754	S	S	*	*			cis	-175.5	154.7	-48	-163.8	166.1	-44.9	0	0	106.3
72	E	31.2	Very low	31.4	Very low	155 Å²	155	133.6 Å²	133.6	72%	0.724	75%	0.753	S	S	*	*			trans	66	157	162.7	-87.8	150.1	-139.7	0	0	116.8
73	D	28.4	Very low	31.4	Very low	135 Å²	135	136.8 Å²	136.8	72%	0.722	76%	0.759	S	S	*	*			cis	-156	167	-9.4	-151	-10.1	0	0	0	112
74	S	28.2	Very low	31.4	Very low	107 Å²	107	137.7 Å²	137.7	75%	0.748	76%	0.76	S	S	*	*			trans	62.4	-179.6	152.4	77.5	0	0	0	0	120.1
75	A	28.9	Very low	31.4	Very low	88 Å²	88	137.3 Å²	137.3	73%	0.727	76%	0.757	S	S	*	*				-164.3	145.1	-61.5	0	0	0	0	0	110.9
76	E	31.6	Very low	31.3	Very low	186 Å²	186	137 Å²	137	87%	0.869	76%	0.756	S	S	*	*			trans	23.9	120.1	151.9	-68.3	-167.1	160.6	0	0	124.2
77	N	30.7	Very low	31.4	Very low	147 Å²	147	139.8 Å²	139.8	79%	0.786	76%	0.763	S	S	*	*				84.2	-173.6	124.3	-133.7	16.2	0	0	0	118.6
78	P	51.3	Low	31.2	Very low	94 Å²	94	141.9 Å²	141.9	61%	0.61	78%	0.776	S	S	*	*				-136.7	175.9	-110.3	45.5	-27.7	0	0	0	119.7
79	E	34.3	Very low	31.3	Very low	169 Å²	169	143 Å²	143	79%	0.79	78%	0.777	S	S	*	*			trans	84.2	152.4	141.2	-120.6	-168.3	175.9	0	0	124.6
80	I	32.4	Very low	31.1	Very low	144 Å²	144	141.1 Å²	141.1	74%	0.738	77%	0.772	S	S	*	*			trans	95.2	137.9	149.3	-73.4	161.4	0	0	0	122.5
81	A	29	Very low	30.9	Very low	82 Å²	82	142.6 Å²	142.6	68%	0.678	77%	0.77	S	S	*	*			trans	80.8	147.8	159.1	0	0	0	0	0	120.1
82	K	33.3	Very low	30.8	Very low	192 Å²	192	140.4 Å²	140.4	84%	0.835	77%	0.768	S	S	*	*			cis	-171.7	151	-17.3	-112	-178.2	178.2	178.5	0	109.3
83	E	29.3	Very low	30.7	Very low	194 Å²	194	140.9 Å²	140.9	91%	0.907	77%	0.77	S	S	*	*			trans	-167.5	-172.7	136.6	-113.8	174	-173.7	0	0	114.4
84	V	31	Very low	30.6	Very low	130 Å²	130	140.8 Å²	140.8	79%	0.788	77%	0.774	S	S	*	*			trans	-144.2	159.2	-132.1	158.1	0	0	0	0	116.3
85	S	29.2	Very low	30.6	Very low	95 Å²	95	141.9 Å²	141.9	66%	0.664	77%	0.771	S	S	*	*			trans	76.4	150.9	175.2	-123.9	0	0	0	0	115.9
86	E	30.6	Very low	30.5	Very low	178 Å²	178	146.7 Å²	146.7	83%	0.832	78%	0.776	S	S	*	*			cis	-149.8	166.9	12.3	-158.3	143.3	-87	0	0	112.2
87	N	31.8	Very low	30.3	Very low	155 Å²	155	144.4 Å²	144.4	83%	0.829	77%	0.768	S	S	*	*			trans	-104.7	147.8	-171.2	-81.9	-13.9	0	0	0	115
88	C	25.9	Very low	30.2	Very low	136 Å²	136	143 Å²	143	92%	0.919	77%	0.769	S	S	*	*				-175.1	168.5	124.8	-98.7	0	0	0	0	114.4
89	E	29.5	Very low	29.2	Very low	169 Å²	169	145.1 Å²	145.1	79%	0.79	78%	0.776	S	S	*	*			trans	-103.6	153.1	-157.2	-45	177.9	129.7	0	0	116.7
90	N	27.6	Very low	28.9	Very low	139 Å²	139	144.2 Å²	144.2	74%	0.743	78%	0.775	S	S	*	*			trans	67.5	156.5	131.7	-80.4	-31.5	0	0	0	125.2
91	L	26	Very low	29	Very low	147 Å²	147	145.3 Å²	145.3	77%	0.77	78%	0.777	S	S	*	*			trans	83.3	102.8	151.9	-77.4	163.7	0	0	0	122.7
92	T	26.4	Very low	29.3	Very low	106 Å²	106	146.2 Å²	146.2	65%	0.65	78%	0.778	S	S	*	*				56.5	132.8	128.9	49.9	0	0	0	0	124.2
93	E	30	Very low	29.1	Very low	165 Å²	165	144 Å²	144	77%	0.771	78%	0.775	S	S	*	*			trans	34.7	139.6	132.6	-55.2	-172.7	117.2	0	0	122.7
94	T	26.2	Very low	29.4	Very low	133 Å²	133	141 Å²	141	82%	0.816	77%	0.765	S	S	*	*				-163	145.7	121.2	-77.7	0	0	0	0	111.1
95	L	27.7	Very low	29.5	Very low	131 Å²	131	141.2 Å²	141.2	69%	0.686	76%	0.762	S	S	*	*			trans	-90.7	157.2	179.8	-48.2	92.9	0	0	0	114
96	K	25.6	Very low	29.5	Very low	188 Å²	188	143 Å²	143	82%	0.817	77%	0.768	S	S	*	*			trans	-178.9	126.4	131.7	-93.3	145	-169.9	173.1	0	108.9
97	I	28.2	Very low	29.8	Very low	138 Å²	138	140 Å²	140	71%	0.708	76%	0.762	S	S	*	*				73.7	112.9	56.2	-60.9	168	0	0	0	113.1
98	S	28.6	Very low	29.7	Very low	117 Å²	117	141.3 Å²	141.3	82%	0.818	76%	0.763	S	S	*	*			trans	-153.8	109.6	151.2	58.3	0	0	0	0	109.7
99	N	29.7	Very low	30.1	Very low	139 Å²	139	146.2 Å²	146.2	74%	0.743	76%	0.762	S	S	*	*			trans	-91.2	167.1	174.5	-73.8	-2.8	0	0	0	111.8
100	I	28.9	Very low	30.1	Very low	150 Å²	150	144 Å²	144	77%	0.769	77%	0.766	S	S	*	*			trans	179.2	107.7	140	-94.6	152.5	0	0	0	105.5
101	E	34.1	Very low	30.4	Very low	168 Å²	168	145.5 Å²	145.5	79%	0.785	77%	0.768	S	S	*	*				71.5	138.4	78.6	-71.7	174.4	-171.7	0	0	113.4
102	S	35.2	Very low	30.7	Very low	101 Å²	101	146.1 Å²	146.1	71%	0.706	77%	0.767	S	S	*	*			cis	-148.7	-175.2	-3.7	49.1	0	0	0	0	107.7
103	L	29.6	Very low	30.7	Very low	146 Å²	146	147.8 Å²	147.8	76%	0.764	78%	0.777	S	S	*	*			cis	-135.4	172.3	23.5	-83.5	97.7	0	0	0	109.8
104	D	35	Very low	30.7	Very low	129 Å²	129	146.9 Å²	146.9	69%	0.69	78%	0.777	S	S	*	*			cis	78.5	125.5	35.4	-81.3	34.7	0	0	0	114.6
105	N	33.9	Very low	30.8	Very low	136 Å²	136	147.8 Å²	147.8	73%	0.727	78%	0.777	S	S	*	*			cis	-140.6	-157.7	-0.2	-108.1	-62.5	0	0	0	109.1
106	V	30	Very low	31	Very low	131 Å²	131	147.2 Å²	147.2	79%	0.794	77%	0.774	S	S	*	*			cis	-153.6	168.6	26	-178.7	0	0	0	0	110.4
107	T	34.8	Very low	31.2	Very low	116 Å²	116	145.6 Å²	145.6	71%	0.712	77%	0.769	S	S	*	*			trans	-70.2	179.1	176.1	29.9	0	0	0	0	115.6
108	E	30.4	Very low	31.4	Very low	182 Å²	182	147.6 Å²	147.6	85%	0.85	77%	0.773	S	S	*	*			cis	-161.9	-178.1	38.5	-154.5	155.9	-105.5	0	0	116.2
109	R	34	Very low	31.3	Very low	239 Å²	239	147 Å²	147	90%	0.902	77%	0.769	S	S	*	*			trans	-155.2	137.9	-168.5	-172.5	-167.9	-161.2	-165.5	7.5	111.4
110	S	31	Very low	31.3	Very low	122 Å²	122	146.6 Å²	146.6	85%	0.853	77%	0.771	S	S	*	*			trans	-162.6	175.6	168.8	51.3	0	0	0	0	113.2
111	E	33.3	Very low	31.4	Very low	172 Å²	172	147.6 Å²	147.6	80%	0.804	77%	0.773	S	S	*	*			trans	-132.4	179.8	-159.5	-58.6	177.1	122.6	0	0	114.5
112	H	32	Very low	32.4	Very low	159 Å²	159	144.6 Å²	144.6	74%	0.736	77%	0.768	S	S	*	*			trans	73.2	124.6	159.7	-78.3	-59.4	0	0	0	121.8
113	T	27.1	Very low	32	Very low	141 Å²	141	148.1 Å²	148.1	87%	0.865	78%	0.775	S	S	*	*				-164.1	167.9	109.1	12.3	0	0	0	0	111.3
114	L	30.3	Very low	32.2	Very low	147 Å²	147	149.3 Å²	149.3	77%	0.77	78%	0.777	S	S	*	*			trans	-113.4	163.6	178.3	-52.1	89.8	0	0	0	110.5
115	D	27.9	Very low	32.1	Very low	151 Å²	151	152 Å²	152	81%	0.807	79%	0.785	S	S	*	*				-165.2	-178.5	113.8	-133.1	-41.6	0	0	0	114.3
116	N	30.8	Very low	31.9	Very low	119 Å²	119	152.1 Å²	152.1	64%	0.636	79%	0.786	S	S	*	*			trans	-101.9	152.9	-162.6	-69.4	-97.4	0	0	0	115.2
117	H	31.2	Very low	32	Very low	154 Å²	154	151 Å²	151	71%	0.713	78%	0.78	S	S	*	*				177.1	138.9	100.9	-97.5	-56.2	0	0	0	117.4
118	K	31.4	Very low	31.7	Very low	180 Å²	180	152.3 Å²	152.3	78%	0.783	78%	0.782	S	S	*	*			trans	13.4	146.9	133.3	-62.9	179.9	-179.2	-178.9	0	119
119	S	27.7	Very low	31.7	Very low	105 Å²	105	149.3 Å²	149.3	73%	0.734	77%	0.772	S	S	*	*			cis	-176.7	-175.9	-2.1	46.4	0	0	0	0	108
120	T	28.3	Very low	31.6	Very low	130 Å²	130	146.4 Å²	146.4	80%	0.798	77%	0.766	S	S	*	*			cis	-148.8	176.7	21.9	62.7	0	0	0	0	113.9
121	E	30.5	Very low	31.7	Very low	171 Å²	171	145.1 Å²	145.1	80%	0.799	76%	0.757	S	S	*	*			trans	-68.3	-178	158.8	-84.8	169.4	-159.9	0	0	114.9
122	P	56.1	Low	31.4	Very low	106 Å²	106	143.4 Å²	143.4	69%	0.688	75%	0.753	S	S	*	*			cis	-139.4	179.1	-31.4	35.4	-17.2	0	0	0	114.5
123	M	26.8	Very low	31.4	Very low	174 Å²	174	142.7 Å²	142.7	86%	0.857	75%	0.753	S	S	*	*				169.6	154.5	117.7	-90.1	-153	63.7	0	0	113.5
124	E	34.1	Very low	31.5	Very low	171 Å²	171	142.3 Å²	142.3	80%	0.799	75%	0.746	S	S	*	*			trans	-121.7	-177.3	177.8	-61.2	-179	111.2	0	0	110.9
125	E	33	Very low	31.7	Very low	185 Å²	185	140.5 Å²	140.5	86%	0.864	74%	0.741	S	S	*	*			trans	71.1	144.8	163.9	-74.6	-177.9	174.4	0	0	118.1
126	D	29.8	Very low	31.7	Very low	140 Å²	140	138 Å²	138	75%	0.749	74%	0.741	S	S	*	*			cis	-167.5	179.7	-13.3	-166.3	11.3	0	0	0	111.4
127	V	30.4	Very low	31.9	Very low	108 Å²	108	138.7 Å²	138.7	66%	0.655	74%	0.743	S	S	*	*			trans	66.3	99.2	156.3	-170.1	0	0	0	0	122
128	N	30	Very low	31.8	Very low	143 Å²	143	138 Å²	138	77%	0.765	75%	0.745	S	S	*	*				56.5	155.6	111.9	-145.1	-2.9	0	0	0	124.9
129	N	30.6	Very low	32.1	Very low	118 Å²	118	134.2 Å²	134.2	63%	0.631	74%	0.741	S	S	*	*			trans	86.7	110.2	159.4	-89.4	-39.6	0	0	0	124.1
130	K	31.5	Very low	32.3	Very low	179 Å²	179	135.3 Å²	135.3	78%	0.778	74%	0.739	S	S	*	*				56.2	110.8	122.8	-74.3	-174.9	179.8	-179.3	0	124.5
131	S	32	Very low	32.8	Very low	95 Å²	95	137.5 Å²	137.5	66%	0.664	74%	0.74	S	S	*	*				72.6	135.8	119.7	72	0	0	0	0	124.3
132	N	28.6	Very low	32.9	Very low	135 Å²	135	137 Å²	137	72%	0.722	74%	0.743	S	S	*	*			trans	84.9	132.6	144.7	-70.3	11.2	0	0	0	122.2
133	I	30.6	Very low	31.8	Very low	144 Å²	144	139.3 Å²	139.3	74%	0.738	75%	0.749	S	S	*	*				71.1	135.7	128.5	-68.5	171.1	0	0	0	121.2
134	D	30.2	Very low	32.1	Very low	134 Å²	134	137.7 Å²	137.7	72%	0.717	74%	0.74	S	S	*	*			cis	-172.6	177.1	-31.3	-130.6	-65.3	0	0	0	113.2
135	V	33.7	Very low	31.8	Very low	108 Å²	108	136.4 Å²	136.4	66%	0.655	74%	0.738	S	S	*	*			trans	62.8	126.5	154.5	169.7	0	0	0	0	121.3	I137	V135-I137 HydrophobicContact CG1-CD1 3.57Å; V135-I137 HydrophobicContact CG1-CG1 3.95Å
136	A	28.4	Very low	31.7	Very low	98 Å²	98	132.1 Å²	132.1	81%	0.81	72%	0.724	S	S	*	*				175.4	151.8	123.8	0	0	0	0	0	113.4
137	I	34.8	Very low	31.6	Very low	134 Å²	134	131.8 Å²	131.8	69%	0.687	72%	0.721	S	S	*	*			cis	-171.6	168.9	-40.9	-118.3	170.5	0	0	0	109.5	V135	V135-I137 HydrophobicContact CG1-CD1 3.57Å; V135-I137 HydrophobicContact CG1-CG1 3.95Å
138	N	30	Very low	31.5	Very low	139 Å²	139	134.9 Å²	134.9	74%	0.743	73%	0.728	S	S	*	*			trans	72.4	142.9	179.6	-67	-0.9	0	0	0	115.4
139	S	36.1	Very low	31.4	Very low	102 Å²	102	136.1 Å²	136.1	71%	0.713	73%	0.73	S	S	*	*			cis	-166.9	173.9	9.1	39.5	0	0	0	0	109.9
140	D	33.7	Very low	31.2	Very low	128 Å²	128	136.5 Å²	136.5	68%	0.684	73%	0.732	S	S	*	*			cis	167.2	145.5	-23.2	-73	-28.9	0	0	0	103.9
141	E	37.4	Very low	31	Very low	176 Å²	176	134.8 Å²	134.8	82%	0.822	73%	0.731	S	S	*	*			cis	-142.6	167	-2.4	-68.8	125.3	116.1	0	0	107.1
142	D	34.2	Very low	30.7	Very low	160 Å²	160	138.9 Å²	138.9	86%	0.856	74%	0.737	S	S	*	*			cis	-134.6	-115.3	-13.2	-136.7	38.4	0	0	0	110.4
143	D	31.9	Very low	30.6	Very low	154 Å²	154	141.3 Å²	141.3	82%	0.824	74%	0.744	S	S	*	*			cis	-158.8	173.3	-1.8	-171	4.9	0	0	0	108.3
144	E	32.8	Very low	30.3	Very low	140 Å²	140	140.6 Å²	140.6	65%	0.654	74%	0.739	S	S	*	*			trans	-140.1	-179.5	-159.1	-136.3	-87.5	99.6	0	0	117.5
145	L	28.7	Very low	30.1	Very low	145 Å²	145	143.7 Å²	143.7	76%	0.759	74%	0.741	S	S	*	*			trans	112.8	141.5	154.1	-58.6	175.3	0	0	0	118.7
146	V	30.3	Very low	29.6	Very low	94 Å²	94	146.2 Å²	146.2	57%	0.57	75%	0.75	S	S	*	*			cis	-170.7	152.8	-32	92	0	0	0	0	112.7
147	L	28.2	Very low	29.5	Very low	133 Å²	133	144.9 Å²	144.9	70%	0.696	75%	0.746	S	S	*	*			trans	62.4	131.1	160.1	-62.5	176.8	0	0	0	120.7
148	E	28.2	Very low	29	Very low	173 Å²	173	146.5 Å²	146.5	81%	0.808	75%	0.751	S	S	*	*				67	147	77.3	-63.6	-168.5	157.9	0	0	115.7
149	E	28.5	Very low	28.8	Very low	170 Å²	170	147.9 Å²	147.9	79%	0.794	75%	0.753	S	S	*	*			cis	-108.4	-144.9	3.5	-56.9	177.3	107.3	0	0	111.3
150	N	25.5	Very low	28.3	Very low	125 Å²	125	149.4 Å²	149.4	67%	0.668	76%	0.758	S	S	*	*			cis	-154	-173.8	-8.2	-146	-48.1	0	0	0	110.5
151	N	27.1	Very low	27.9	Very low	143 Å²	143	151.4 Å²	151.4	77%	0.765	76%	0.763	S	S	*	*			trans	-156.9	169.8	-177.8	-151.6	-28	0	0	0	113.7
152	K	25.9	Very low	27.4	Very low	181 Å²	181	151.7 Å²	151.7	79%	0.787	76%	0.764	S	S	*	*			trans	85.3	156.2	-170.7	-55.7	168.6	-177.8	168	0	114.2
153	E	26.5	Very low	26.9	Very low	186 Å²	186	149.9 Å²	149.9	87%	0.869	75%	0.754	S	S	*	*			cis	-116.8	156.6	9.7	-65.6	173.8	135.8	0	0	111.2
154	M	23.9	Very low	26.6	Very low	129 Å²	129	150 Å²	150	64%	0.635	75%	0.754	S	S	*	*			cis	92.8	89.2	27.9	-76.1	-107.7	-64.5	0	0	117.6
155	R	25.4	Very low	26.3	Very low	200 Å²	200	153.6 Å²	153.6	76%	0.755	77%	0.768	S	S	*	*			trans	91	157.1	137.5	-59.1	-171.8	-164.2	-159.6	2.7	122
156	D	25.2	Very low	26.2	Very low	160 Å²	160	151.5 Å²	151.5	86%	0.856	77%	0.772	S	S	*	*			trans	65.2	133.3	165	-51.6	-22.1	0	0	0	118.7
157	G	24.5	Very low	26.1	Very low	70 Å²	70	152.4 Å²	152.4	72%	0.722	77%	0.774	S	S	*	*			cis	-178.4	143.1	-8.2	0	0	0	0	0	115.3
158	E	25.4	Very low	26.1	Very low	168 Å²	168	152.2 Å²	152.2	79%	0.785	77%	0.773	S	S	*	*			trans	44.8	142.7	153.3	-67.6	-155.8	161.8	0	0	125.6
159	Q	24.8	Very low	26.2	Very low	168 Å²	168	152.7 Å²	152.7	79%	0.785	78%	0.775	S	S	*	*			trans	69.7	148.1	157.1	-65.7	167	49.7	0	0	116.8
160	V	26.1	Very low	26.3	Very low	135 Å²	135	151.1 Å²	151.1	82%	0.818	77%	0.768	S	S	*	*			cis	-127.7	157.7	16	174.8	0	0	0	0	112.3
161	Q	25.8	Very low	26.3	Very low	169 Å²	169	152.2 Å²	152.2	79%	0.79	77%	0.773	S	S	*	*			trans	-90	132.6	-179.8	166.7	-170.8	-1.1	0	0	113.2
162	Q	26.2	Very low	26.2	Very low	182 Å²	182	151 Å²	151	85%	0.85	77%	0.765	S	S	*	*			trans	-159.8	133.4	154.9	-119.5	164.1	15.5	0	0	115
163	D	23.9	Very low	26	Very low	122 Å²	122	151 Å²	151	65%	0.652	77%	0.768	S	S	*	*			trans	-18.3	130.8	174.7	-42.7	-42.6	0	0	0	118.7
164	L	26.5	Very low	26	Very low	157 Å²	157	151.1 Å²	151.1	82%	0.822	76%	0.762	S	S	*	*				63.6	71.8	60	-71.1	173.4	0	0	0	116
165	F	26.1	Very low	26.2	Very low	215 Å²	215	151.1 Å²	151.1	94%	0.943	77%	0.772	S	S	*	*			trans	-155.8	90.5	148.7	-85.7	-62.3	0	0	0	112.1
166	A	26.5	Very low	26.2	Very low	101 Å²	101	144.8 Å²	144.8	84%	0.835	77%	0.768	S	S	*	*			trans	-157.9	61.2	174.9	0	0	0	0	0	112.7	D168	A166-D168 PolarHBondContact O-N 2.95Å
167	D	27.9	Very low	26.4	Very low	114 Å²	114	144.7 Å²	144.7	61%	0.61	77%	0.766	S	S	*	*			trans	-79.6	112.1	174.6	-105.9	33.2	0	0	0	111	R334	D167-R334 IonicContact OD2-NH1 3.88Å; D167-R334 PolarHBondContact OD2-NH1 2.98Å
168	D	29.4	Very low	26.4	Very low	129 Å²	129	149.9 Å²	149.9	69%	0.69	77%	0.774	S	S	*	*			trans	57.6	69.7	146.1	-55.3	-14.5	0	0	0	119.3	A166	A166-D168 PolarHBondContact O-N 2.95Å
169	Q	29.8	Very low	26.4	Very low	182 Å²	182	150.6 Å²	150.6	85%	0.85	77%	0.774	S	S	*	*			trans	-81.1	113.5	140.2	-73.3	-174.6	-3.5	0	0	109.6
170	E	29.4	Very low	26.8	Very low	138 Å²	138	150.2 Å²	150.2	65%	0.645	78%	0.778	S	S	*	*			trans	-103.8	105	158.7	-78.9	-171.9	145.6	0	0	109.6	I172 K319	E170-I172 PolarHBondContact O-N 3.26Å; E170-K319 IonicContact OE2-NZ 3.58Å; E170-K319 PolarHBondContact OE2-NZ 2.61Å
171	L	25.4	Very low	26.7	Very low	147 Å²	147	149 Å²	149	77%	0.77	77%	0.771	S	S	*	*			trans	-67.5	120.5	159.5	-80	124.9	0	0	0	108.7	E173	L171-E173 PolarHBondContact O-N 3.41Å
172	I	25.6	Very low	26.9	Very low	117 Å²	117	147 Å²	147	60%	0.6	77%	0.77	S	S	*	*			trans	-75	102.9	158.6	-62.6	176.9	0	0	0	105.9	E170 Y174	E170-I172 PolarHBondContact O-N 3.26Å; I172-Y174 HydrophobicContact CB-CE2 4.44Å; I172-Y174 HydrophobicContact CG2-CD2 4.14Å; I172-Y174 HydrophobicContact CG2-CE2 3.86Å; I172-Y174 PolarHBondContact O-N 2.66Å
173	E	21	Very low	26.8	Very low	182 Å²	182	143.8 Å²	143.8	85%	0.85	76%	0.763	S	S	*	*			trans	-65.8	95.4	173.1	-70.1	-165	142.4	0	0	110.2	L171	L171-E173 PolarHBondContact O-N 3.41Å
174	Y	28.1	Very low	27	Very low	189 Å²	189	145.5 Å²	145.5	74%	0.741	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-69.7	132.9	154	-72.8	-91.3	0	0	0	107.9	I172 G176	I172-Y174 HydrophobicContact CB-CE2 4.44Å; I172-Y174 HydrophobicContact CG2-CD2 4.14Å; I172-Y174 HydrophobicContact CG2-CE2 3.86Å; I172-Y174 PolarHBondContact O-N 2.66Å; Y174-G176 PolarHBondContact O-N 2.82Å
175	P	27.6	Very low	27	Very low	129 Å²	129	145.7 Å²	145.7	84%	0.838	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-56.8	127.3	-176.6	21.9	-32.8	0	0	0	110.6
176	G	25.1	Very low	26.9	Very low	66 Å²	66	141.5 Å²	141.5	68%	0.68	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-70.1	142.9	-157	0	0	0	0	0	115.7	Y174 M178	Y174-G176 PolarHBondContact O-N 2.82Å; G176-M178 PolarHBondContact O-N 3.18Å
177	I	28.6	Very low	26.9	Very low	158 Å²	158	143.6 Å²	143.6	81%	0.81	75%	0.751	S	S	*	*			trans	21.5	94.6	135.3	-49.3	174.3	0	0	0	114.3	K179	I177-K179 PolarHBondContact O-N 2.95Å
178	M	24.3	Very low	26.9	Very low	180 Å²	180	143.3 Å²	143.3	89%	0.887	75%	0.754	S	S	*	*			trans	-66.1	127.9	145	-81.1	-171.6	170	0	0	107.8	G176	G176-M178 PolarHBondContact O-N 3.18Å
179	K	27	Very low	26.8	Very low	182 Å²	182	144.5 Å²	144.5	79%	0.791	76%	0.76	S	S	*	*			trans	-67.7	160.4	166.8	-64.3	178.5	179.3	178.1	0	109.3	I177 T181	I177-K179 PolarHBondContact O-N 2.95Å; K179-T181 PolarHBondContact O-N 3.39Å
180	D	31.8	Very low	26.8	Very low	160 Å²	160	140.8 Å²	140.8	86%	0.856	75%	0.754	S	S	*	*			trans	-54.9	106.4	177.4	-64.1	-71.7	0	0	0	112.8
181	T	24.4	Very low	27.1	Very low	111 Å²	111	141.6 Å²	141.6	68%	0.681	76%	0.758	S	S	*	*			trans	-112.4	87.9	151.9	47.9	0	0	0	0	107.8	K179 T183	K179-T181 PolarHBondContact O-N 3.39Å; T181-T183 VanDerWaalsContact C-N 3.34Å; T181-T183 PolarHBondContact O-N 2.69Å; T181-T183 PolarHBondContact O-OG1 2.89Å; T181-T183 VanDerWaalsContact O-OG1 3.11Å
182	T	29.5	Very low	27.6	Very low	126 Å²	126	138.5 Å²	138.5	77%	0.773	75%	0.745	S	S	*	*			trans	-55.5	94.7	176.2	-50.3	0	0	0	0	110.1
183	T	25.5	Very low	27.7	Very low	115 Å²	115	141.7 Å²	141.7	71%	0.706	76%	0.758	S	S	*	*			trans	-104.1	101.9	173	-45.8	0	0	0	0	106	T181 L185	T181-T183 VanDerWaalsContact C-N 3.34Å; T181-T183 PolarHBondContact O-N 2.69Å; T181-T183 PolarHBondContact O-OG1 2.89Å; T181-T183 VanDerWaalsContact O-OG1 3.11Å; T183-L185 PolarHBondContact O-N 2.68Å; T183-L185 VanDerWaalsContact O-N 3.15Å
184	Q	27.8	Very low	28.2	Very low	157 Å²	157	139 Å²	139	73%	0.734	75%	0.754	S	S	*	*			trans	-61.4	117.7	173	-71.4	172.1	-93.4	0	0	108.3
185	L	26.8	Very low	28.3	Very low	161 Å²	161	133.4 Å²	133.4	84%	0.843	75%	0.746	S	S	*	*			trans	-97.5	95.8	157.8	-81.3	167.8	0	0	0	105.9	T183 I187	T183-L185 PolarHBondContact O-N 2.68Å; T183-L185 VanDerWaalsContact O-N 3.15Å; L185-I187 PolarHBondContact O-N 3.48Å; L185-I187 VanDerWaalsContact O-N 3.12Å
186	D	24.3	Very low	28.4	Very low	128 Å²	128	134.9 Å²	134.9	68%	0.684	74%	0.742	S	S	*	*			trans	-62.1	112.9	173.3	-66.1	-43.3	0	0	0	108.7	T188	D186-T188 PolarHBondContact O-N 3.28Å; D186-T188 VanDerWaalsContact O-N 3.08Å
187	I	25.9	Very low	28.7	Very low	144 Å²	144	141.3 Å²	141.3	74%	0.738	75%	0.751	S	S	*	*			trans	-75.1	97	169.8	-59.9	176.6	0	0	0	106	L185 D189	L185-I187 PolarHBondContact O-N 3.48Å; L185-I187 VanDerWaalsContact O-N 3.12Å; I187-D189 PolarHBondContact O-N 3.39Å
188	T	26.7	Very low	29.1	Very low	109 Å²	109	141 Å²	141	67%	0.669	75%	0.749	S	S	*	*			trans	-67.4	125.9	178.9	52.8	0	0	0	0	110.6	D186 S190	D186-T188 PolarHBondContact O-N 3.28Å; D186-T188 VanDerWaalsContact O-N 3.08Å; T188-S190 PolarHBondContact O-N 3.36Å
189	D	29.2	Very low	29.4	Very low	153 Å²	153	141.9 Å²	141.9	82%	0.818	75%	0.75	S	S	*	*	S	Bend	trans	-62.9	87.7	-179.5	-75.9	-60.5	0	0	0	113.3	I187	I187-D189 PolarHBondContact O-N 3.39Å
190	S	29.5	Very low	29.4	Very low	104 Å²	104	141.7 Å²	141.7	73%	0.727	75%	0.754	S	S	*	*			trans	-137	15.6	165.3	85.1	0	0	0	0	113.8	T188	T188-S190 PolarHBondContact O-N 3.36Å
191	E	34.6	Very low	29.2	Very low	156 Å²	156	142 Å²	142	73%	0.729	76%	0.755	S	S	*	*	S	Bend	trans	-105.1	-2.2	-175.8	-57.3	-158.3	120.8	0	0	113.8
192	V	36.1	Very low	29.2	Very low	82 Å²	82	145.7 Å²	145.7	50%	0.497	76%	0.764	S	S	.	*	S	Bend	trans	-82.6	-35.4	-171.9	-177.8	0	0	0	0	113.8	T194 A195	V192-T194 PolarHBondContact O-N 3.48Å; V192-A195 PolarHBondContact O-N 3.25Å
193	E	28.7	Very low	29.2	Very low	183 Å²	183	149 Å²	149	86%	0.855	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	-10.1	-170.1	-77.7	-162.3	131.5	0	0	115.7
194	T	31.6	Very low	29.2	Very low	126 Å²	126	150.1 Å²	150.1	77%	0.773	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.8	-18.3	179.6	-39.8	0	0	0	0	113	V192	V192-T194 PolarHBondContact O-N 3.48Å
195	A	29.4	Very low	29.2	Very low	71 Å²	71	152 Å²	152	59%	0.587	79%	0.787	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	-30.4	-178.5	0	0	0	0	0	113.5	V192 K197 M198	V192-A195 PolarHBondContact O-N 3.25Å; A195-K197 PolarHBondContact O-N 3.25Å; A195-M198 PolarHBondContact O-N 2.78Å
196	Q	29.4	Very low	29.1	Very low	160 Å²	160	149.2 Å²	149.2	75%	0.748	79%	0.787	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	28.1	-173.3	-65.2	-175.6	-28.6	0	0	114.8
197	K	32	Very low	29.2	Very low	201 Å²	201	149.8 Å²	149.8	87%	0.874	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.8	6.1	171.1	-92.6	-175.8	175.7	175.8	0	114.3	A195	A195-K197 PolarHBondContact O-N 3.25Å
198	M	36.8	Very low	29.3	Very low	153 Å²	153	148.2 Å²	148.2	75%	0.754	79%	0.792	S	S	*	*	S	Bend	trans	-92.8	148.8	162.4	-70.6	174.5	155	0	0	109.1	A195	A195-M198 PolarHBondContact O-N 2.78Å
199	E	30.7	Very low	29.3	Very low	197 Å²	197	148.3 Å²	148.3	92%	0.921	79%	0.792	S	S	*	*	S	Bend	trans	62.9	68.7	179.6	-57.8	-169.3	150.6	0	0	116.9
200	M	26.3	Very low	29.1	Very low	178 Å²	178	150.5 Å²	150.5	88%	0.877	79%	0.794	S	S	*	*			trans	-151.1	76.9	157.8	-98.4	-65.8	-72.7	0	0	110.5
201	I	27.1	Very low	28.9	Very low	168 Å²	168	151.7 Å²	151.7	86%	0.862	80%	0.797	S	S	*	*			trans	-171.4	150.7	163.1	-102.3	149.4	0	0	0	109.5
202	E	25.7	Very low	28.5	Very low	188 Å²	188	147.5 Å²	147.5	88%	0.879	80%	0.796	S	S	*	*			trans	75.5	58.5	-175.5	-60.4	-152.4	150.4	0	0	117.8
203	E	28.2	Very low	28	Very low	194 Å²	194	152.8 Å²	152.8	91%	0.907	82%	0.815	S	S	*	*			trans	-147.4	100.4	137.6	-134	172.3	-132.1	0	0	110.8
204	T	26.5	Very low	27.9	Very low	139 Å²	139	150.9 Å²	150.9	85%	0.853	81%	0.811	S	S	*	*			trans	-142.6	114	169	52.4	0	0	0	0	109.5
205	E	27.3	Very low	27.8	Very low	198 Å²	198	147.6 Å²	147.6	93%	0.925	79%	0.793	S	S	*	*			trans	-65.6	146.6	177.9	-58.6	174.2	120.1	0	0	111.6
206	A	26.3	Very low	27.7	Very low	102 Å²	102	152.3 Å²	152.3	84%	0.843	80%	0.8	S	S	*	*			trans	-114.6	86.1	171.5	0	0	0	0	0	109.5
207	D	25.7	Very low	27.6	Very low	139 Å²	139	154 Å²	154	74%	0.743	80%	0.8	S	S	*	*			trans	-75.7	133.3	171	-176	20.6	0	0	0	110.8
208	S	28.1	Very low	27.3	Very low	112 Å²	112	152 Å²	152	78%	0.783	79%	0.793	S	S	*	*			trans	-152	98.9	169.7	68.7	0	0	0	0	110.1
209	T	26.9	Very low	26.8	Very low	111 Å²	111	149.9 Å²	149.9	68%	0.681	79%	0.794	S	S	*	*			trans	-83.2	153	-175.8	53.3	0	0	0	0	114.5
210	F	23.6	Very low	26.6	Very low	198 Å²	198	143.4 Å²	143.4	87%	0.868	78%	0.78	S	S	*	*			trans	72	145.3	167.4	-111.7	-129.1	0	0	0	115.2
211	V	26.7	Very low	26.6	Very low	130 Å²	130	141.3 Å²	141.3	79%	0.788	78%	0.777	S	S	*	*			cis	-142.2	160.7	21.3	-160	0	0	0	0	109.8
212	G	24.7	Very low	26.5	Very low	68 Å²	68	139.1 Å²	139.1	70%	0.701	77%	0.772	S	S	*	*			trans	136.8	80	149.3	0	0	0	0	0	119.5
213	E	27.1	Very low	26.6	Very low	193 Å²	193	134.6 Å²	134.6	90%	0.902	76%	0.761	S	S	*	*			trans	25.3	115.2	136.2	-70.5	-176	147.6	0	0	122.7
214	D	26.7	Very low	26.5	Very low	143 Å²	143	132.8 Å²	132.8	77%	0.765	76%	0.758	S	S	*	*				104.2	136.2	111.7	-157.6	24.5	0	0	0	122.1
215	S	28.7	Very low	26.6	Very low	57 Å²	57	134.1 Å²	134.1	40%	0.399	75%	0.754	S	S	.	*			trans	77.5	110.9	144	-83.5	0	0	0	0	125.1
216	K	28	Very low	26.6	Very low	169 Å²	169	129.9 Å²	129.9	74%	0.735	74%	0.742	S	S	*	*				69.7	158.2	125.5	-60.7	176.7	-170.7	94.3	0	117.7
217	R	25.8	Very low	26.6	Very low	196 Å²	196	132.6 Å²	132.6	74%	0.74	74%	0.742	S	S	*	*			cis	-173.6	140.5	-24.7	-107.7	178	170	-154.1	7.7	106.7
218	Q	25.7	Very low	26.7	Very low	158 Å²	158	131.1 Å²	131.1	74%	0.738	75%	0.749	S	S	*	*			trans	64.2	163.6	150.6	-67.9	174	-76.4	0	0	115.5
219	S	27.4	Very low	26.5	Very low	110 Å²	110	133.2 Å²	133.2	77%	0.769	75%	0.752	S	S	*	*			cis	-165.1	155.4	-9.5	36.9	0	0	0	0	111
220	G	25.8	Very low	26.5	Very low	61 Å²	61	132.9 Å²	132.9	63%	0.629	75%	0.754	S	S	*	*			trans	91.8	134.3	149.3	0	0	0	0	0	116
221	T	25.6	Very low	26.6	Very low	133 Å²	133	131.3 Å²	131.3	82%	0.816	75%	0.749	S	S	*	*			cis	67.6	127.4	45.4	73.2	0	0	0	0	112.9
222	T	25.9	Very low	26.5	Very low	122 Å²	122	131.9 Å²	131.9	75%	0.748	75%	0.746	S	S	*	*			cis	-166.6	-167.6	3.4	9.5	0	0	0	0	108.6
223	S	27.5	Very low	26.4	Very low	93 Å²	93	135.5 Å²	135.5	65%	0.65	75%	0.75	S	S	*	*			trans	75	125.3	163.8	40.5	0	0	0	0	117.3
224	D	26.7	Very low	26.3	Very low	156 Å²	156	133.5 Å²	133.5	83%	0.834	74%	0.744	S	S	*	*				90.5	141.5	53.9	-57.7	-21.4	0	0	0	110.6
225	E	27.7	Very low	26.2	Very low	167 Å²	167	130.1 Å²	130.1	78%	0.78	74%	0.736	S	S	*	*			cis	-164.5	165.1	-26.3	-157.8	-179.3	-145.7	0	0	108.1
226	V	27.9	Very low	25.9	Very low	110 Å²	110	133.8 Å²	133.8	67%	0.667	76%	0.756	S	S	*	*			trans	43.4	120.7	164.1	-81.1	0	0	0	0	123.4
227	D	26.6	Very low	25.7	Very low	159 Å²	159	135.1 Å²	135.1	85%	0.85	76%	0.762	S	S	*	*				42.3	132.2	125.6	-57.1	-17.5	0	0	0	124
228	A	26.8	Very low	25.6	Very low	107 Å²	107	131.9 Å²	131.9	88%	0.884	76%	0.764	S	S	*	*			trans	-150.5	128.6	138.2	0	0	0	0	0	111.6
229	D	25.2	Very low	25.5	Very low	157 Å²	157	129.8 Å²	129.8	84%	0.84	76%	0.762	S	S	*	*			trans	-83.9	156.9	-178.7	-139	-26.1	0	0	0	112.6
230	S	26.1	Very low	25.3	Very low	103 Å²	103	134.9 Å²	134.9	72%	0.72	76%	0.764	S	S	*	*			trans	170.7	121	131.2	42.2	0	0	0	0	117.2
231	Q	25.6	Very low	25.5	Very low	166 Å²	166	138.5 Å²	138.5	78%	0.776	78%	0.775	S	S	*	*			trans	54.8	106.7	131.5	-54.7	-166.5	14.3	0	0	119.9
232	I	24.6	Very low	25.5	Very low	142 Å²	142	137.3 Å²	137.3	73%	0.728	77%	0.772	S	S	*	*				74.6	116.2	83.2	-67.4	162.8	0	0	0	114.8
233	N	23.9	Very low	25.7	Very low	144 Å²	144	137.9 Å²	137.9	77%	0.77	78%	0.781	S	S	*	*			trans	158.3	155	140.7	-86.8	-50.5	0	0	0	110.8
234	L	23.9	Very low	25.8	Very low	150 Å²	150	138.6 Å²	138.6	79%	0.785	79%	0.786	S	S	*	*			cis	-167.4	146.3	-30.9	-169	62.7	0	0	0	110.2
235	A	24.1	Very low	26	Very low	73 Å²	73	135.2 Å²	135.2	60%	0.603	77%	0.774	S	S	*	*			trans	63.6	131.3	153.8	0	0	0	0	0	123.7
236	T	22.9	Very low	26.3	Very low	133 Å²	133	136.1 Å²	136.1	82%	0.816	78%	0.776	S	S	*	*			trans	70.7	151.7	148.6	59.8	0	0	0	0	119.1
237	K	23.7	Very low	26.5	Very low	197 Å²	197	137.9 Å²	137.9	86%	0.857	78%	0.781	S	S	*	*			cis	-146.4	157.6	11	-147.3	168.8	-176.2	174.3	0	113.1
238	T	23.2	Very low	26.6	Very low	128 Å²	128	135 Å²	135	79%	0.785	77%	0.773	S	S	*	*			trans	-61	150	179.2	-31.3	0	0	0	0	114.8
239	V	23.6	Very low	26.9	Very low	114 Å²	114	135.6 Å²	135.6	69%	0.691	77%	0.766	S	S	*	*				169.2	135.3	126.2	150.3	0	0	0	0	114.6
240	R	23.1	Very low	27.4	Very low	218 Å²	218	133 Å²	133	82%	0.823	76%	0.755	S	S	*	*			trans	58.9	101.7	158.7	-77.2	165.4	-168.8	156.6	2.1	121.8
241	T	30.4	Very low	27.7	Very low	137 Å²	137	132.8 Å²	132.8	84%	0.84	75%	0.754	S	S	*	*				35.2	109.3	117.7	58	0	0	0	0	119.8
242	S	25.3	Very low	28.2	Very low	108 Å²	108	131.5 Å²	131.5	76%	0.755	76%	0.758	S	S	*	*			trans	-140	136.1	145.5	58.7	0	0	0	0	109.8	S244	S242-S244 PolarHBondContact O-N 3.37Å; S242-S244 VanDerWaalsContact O-N 3.17Å
243	S	31.5	Very low	28.4	Very low	134 Å²	134	129.6 Å²	129.6	94%	0.937	76%	0.756	S	S	*	*			trans	-84.7	84.4	-177.9	50.2	0	0	0	0	110.4
244	S	29.7	Very low	28.8	Very low	108 Å²	108	132 Å²	132	76%	0.755	76%	0.762	S	S	*	*			trans	-151.3	37.8	-169.1	-170.8	0	0	0	0	114.8	S242	S242-S244 PolarHBondContact O-N 3.37Å; S242-S244 VanDerWaalsContact O-N 3.17Å
245	S	29.5	Very low	29.1	Very low	85 Å²	85	129 Å²	129	59%	0.594	76%	0.76	S	S	*	*			trans	-132.2	11.9	-177.1	63.7	0	0	0	0	115.8	L247	S245-L247 VanDerWaalsContact C-N 3.27Å; S245-L247 PolarHBondContact O-N 3.02Å
246	F	33.7	Very low	29.6	Very low	185 Å²	185	130.4 Å²	130.4	81%	0.811	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	5.2	-175.4	-105.5	-86.8	0	0	0	115.4
247	L	32.4	Very low	30.3	Very low	148 Å²	148	126.8 Å²	126.8	78%	0.775	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.4	3.5	-173.3	-71.5	172.2	0	0	0	114.8	S245	S245-L247 VanDerWaalsContact C-N 3.27Å; S245-L247 PolarHBondContact O-N 3.02Å
248	S	29.9	Very low	31.4	Very low	98 Å²	98	126 Å²	126	69%	0.685	74%	0.743	S	S	*	*	S	Bend	trans	-109	26.9	-171	64.3	0	0	0	0	114.9
249	T	32.4	Very low	32.8	Very low	120 Å²	120	122.5 Å²	122.5	74%	0.736	73%	0.731	S	S	*	*			trans	-145.6	20.2	-176.2	-26	0	0	0	0	115	S251	T249-S251 PolarHBondContact O-N 3.18Å
250	V	34.7	Very low	34.5	Very low	101 Å²	101	124 Å²	124	61%	0.612	73%	0.725	S	S	*	*	S	Bend	trans	-77	103.6	158.6	-178.5	0	0	0	0	106.7	T252	V250-T252 PolarHBondContact O-N 2.77Å
251	S	33.7	Very low	36.2	Very low	99 Å²	99	115.9 Å²	115.9	69%	0.692	70%	0.704	S	S	*	*			trans	-62.6	120.9	-172	-173.4	0	0	0	0	112	T249 C253	T249-S251 PolarHBondContact O-N 3.18Å; S251-C253 PolarHBondContact O-N 3.3Å
252	T	35.4	Very low	37.8	Very low	140 Å²	140	117.8 Å²	117.8	86%	0.859	70%	0.696	S	S	*	*			trans	-79.3	97.7	176.3	51.6	0	0	0	0	110.6	V250	V250-T252 PolarHBondContact O-N 2.77Å
253	C	29.8	Very low	39.9	Very low	102 Å²	102	116.5 Å²	116.5	69%	0.689	68%	0.679	S	S	*	*			trans	-111.2	125.9	169.5	-65.8	0	0	0	0	110.6	S251	S251-C253 PolarHBondContact O-N 3.3Å
254	E	32.1	Very low	41.9	Very low	193 Å²	193	111 Å²	111	90%	0.902	64%	0.637	S	S	*	*	S	Bend	trans	69.5	167.4	168.3	-52	-161.8	144.5	0	0	118.5
255	A	30.7	Very low	44.3	Very low	89 Å²	89	108.7 Å²	108.7	74%	0.736	62%	0.615	S	S	*	*			trans	-76.2	148	-157.3	0	0	0	0	0	113.7	A257	A255-A257 PolarHBondContact O-N 3.05Å
256	P	34.7	Very low	46.8	Very low	101 Å²	101	110.6 Å²	110.6	66%	0.656	61%	0.613	S	S	*	*			trans	-72.2	98.9	-170.3	28.7	-35.9	0	0	0	112.9	K258	P256-K258 PolarHBondContact O-N 3.23Å
257	A	37.5	Very low	49.3	Very low	57 Å²	57	102.2 Å²	102.2	47%	0.471	58%	0.576	S	S	.	*			trans	-54.6	134.6	169.2	0	0	0	0	0	111.7	A255 G259 A261	A255-A257 PolarHBondContact O-N 3.05Å; A257-G259 PolarHBondContact O-N 3.07Å; A257-G259 VanDerWaalsContact O-N 3.15Å; A257-A261 HydrophobicContact CB-CB 4.48Å
258	K	45.9	Very low	51.9	Low	182 Å²	182	95.7 Å²	95.7	79%	0.791	54%	0.542	S	S	*	.	S	Bend	trans	-41.3	114.2	-175.3	-60.1	174.6	-176.9	174.3	0	112.6	P256 R260	P256-K258 PolarHBondContact O-N 3.23Å; K258-R260 VanDerWaalsContact C-N 3.26Å; K258-R260 PolarHBondContact O-N 2.88Å
259	G	52.9	Low	54.7	Low	53 Å²	53	95.4 Å²	95.4	55%	0.546	53%	0.53	S	S	.	.	S	Bend	trans	60.7	-68.6	164.6	0	0	0	0	0	116.9	A257 A261 R262 M263	A257-G259 PolarHBondContact O-N 3.07Å; A257-G259 VanDerWaalsContact O-N 3.15Å; G259-A261 VanDerWaalsContact C-N 3.34Å; G259-A261 PolarHBondContact O-N 3.34Å; G259-R262 WeakPolarHBondContact O-CB 3.47Å; G259-R262 PolarHBondContact O-N 3.47Å; G259-M263 PolarHBondContact O-N 3.25Å
260	R	58.5	Low	57.5	Low	147 Å²	147	94.1 Å²	94.1	56%	0.555	51%	0.514	S	S	*	.	H	α-helix	trans	-41.2	-51.7	-174.3	-58.5	174	-68.4	-171.4	4.4	113.5	K258 R262 M263 Y264 E521	K258-R260 VanDerWaalsContact C-N 3.26Å; K258-R260 PolarHBondContact O-N 2.88Å; R260-R262 VanDerWaalsContact C-N 3.28Å; R260-R262 PolarHBondContact O-N 2.97Å; R260-M263 PolarHBondContact O-N 2.86Å; R260-Y264 PolarHBondContact O-N 3.28Å; R260-E521 VanDerWaalsContact CD-CD 3.46Å; R260-E521 WeakPolarHBondContact CD-OE1 3.36Å; R260-E521 WeakPolarHBondContact CD-OE2 3.06Å; R260-E521 IonicContact CZ-OE2 2.99Å; R260-E521 IonicContact NE-OE2 3.78Å; R260-E521 IonicContact NH1-OE2 2.74Å; R260-E521 PolarHBondContact NH1-OE2 2.98Å
261	A	58.6	Low	60.3	Low	46 Å²	46	89.7 Å²	89.7	38%	0.38	49%	0.486	S	S	.	.	H	α-helix	trans	-60.8	-34.6	-179.5	0	0	0	0	0	113.2	A257 G259 Q265	A257-A261 HydrophobicContact CB-CB 4.48Å; G259-A261 VanDerWaalsContact C-N 3.34Å; G259-A261 PolarHBondContact O-N 3.34Å; A261-Q265 WeakPolarHBondContact O-CB 3.41Å; A261-Q265 PolarHBondContact O-N 3.49Å
262	R	64.7	Low	63.1	Low	177 Å²	177	86.9 Å²	86.9	67%	0.668	47%	0.465	S	S	*	.	H	α-helix	trans	-73.3	-30.8	179	-62.1	-177.2	177.1	178.5	-2	112.8	G259 R260 K266	G259-R262 WeakPolarHBondContact O-CB 3.47Å; G259-R262 PolarHBondContact O-N 3.47Å; R260-R262 VanDerWaalsContact C-N 3.28Å; R260-R262 PolarHBondContact O-N 2.97Å; R262-K266 WeakPolarHBondContact O-CB 3.5Å; R262-K266 PolarHBondContact O-N 3.25Å
263	M	68.8	Low	65.8	Low	82 Å²	82	83.8 Å²	83.8	40%	0.404	44%	0.442	S	S	.	.	H	α-helix	trans	-66.4	-54.4	176.4	-176.2	176.1	178.2	0	0	110	G259 R260 Q265 K266 E267 E517 F519	G259-M263 PolarHBondContact O-N 3.25Å; R260-M263 PolarHBondContact O-N 2.86Å; M263-Q265 PolarHBondContact O-N 2.96Å; M263-K266 WeakPolarHBondContact O-CB 3.28Å; M263-K266 PolarHBondContact O-N 2.8Å; M263-E267 PolarHBondContact O-N 2.86Å; M263-E517 HydrophobicContact CE-CG 4.31Å; M263-E517 WeakPolarHBondContact CE-OE1 3.37Å; M263-F519 HydrophobicContact CE-CD1 4.3Å; M263-F519 HydrophobicContact CE-CE1 3.82Å; M263-F519 HydrophobicContact CE-CZ 4.38Å; M263-F519 HydrophobicContact SD-CE1 4.48Å
264	Y	73.8	Confident	68.8	Low	17 Å²	17	80 Å²	80	7%	0.067	42%	0.418	C	S	.	.	H	α-helix	trans	-62.6	-39.8	177.7	174.6	-98.6	0	0	0	112.8	R260 K266 E267 L268 M522 T527 A528	R260-Y264 PolarHBondContact O-N 3.28Å; Y264-K266 VanDerWaalsContact C-N 3.3Å; Y264-K266 PolarHBondContact O-N 3.46Å; Y264-E267 PolarHBondContact O-N 3.13Å; Y264-E267 VanDerWaalsContact O-N 3.13Å; Y264-L268 HydrophobicContact CE1-CB 4.13Å; Y264-L268 HydrophobicContact CE1-CD2 4.02Å; Y264-L268 PolarHBondContact O-N 3.07Å; Y264-M522 HydrophobicContact CD2-SD 3.57Å; Y264-M522 VanDerWaalsContact CD2-SD 3.57Å; Y264-M522 HydrophobicContact CE2-SD 4.32Å; Y264-M522 HydrophobicContact CG-SD 4.23Å; Y264-T527 HydrophobicContact CD2-CG2 4.35Å; Y264-T527 HydrophobicContact CE2-CG2 3.79Å; Y264-T527 WeakPolarHBondContact OH-CA 3.37Å; Y264-A528 PolarHBondContact OH-N 3Å
265	Q	79.8	Confident	71.7	Confident	61 Å²	61	70.9 Å²	70.9	29%	0.285	38%	0.376	S	S	.	.	H	α-helix	trans	-56.9	-41.6	176.5	176.7	59	29.1	0	0	112.5	A261 M263 E267 L268 E269	A261-Q265 WeakPolarHBondContact O-CB 3.41Å; A261-Q265 PolarHBondContact O-N 3.49Å; M263-Q265 PolarHBondContact O-N 2.96Å; Q265-E267 VanDerWaalsContact C-N 3.35Å; Q265-E267 PolarHBondContact O-N 3.22Å; Q265-L268 PolarHBondContact O-N 3.19Å; Q265-E269 WeakPolarHBondContact CG-OE1 3.28Å; Q265-E269 PolarHBondContact NE2-OE1 2.76Å; Q265-E269 WeakPolarHBondContact O-CG 3.43Å; Q265-E269 PolarHBondContact O-N 3.43Å
266	K	83.1	Confident	74.5	Confident	125 Å²	125	69.8 Å²	69.8	54%	0.543	36%	0.36	S	S	.	.	H	α-helix	trans	-63.5	-39	176.6	-175.7	-167.1	174	-160.2	0	112.3	R262 M263 Y264 E269 K270	R262-K266 WeakPolarHBondContact O-CB 3.5Å; R262-K266 PolarHBondContact O-N 3.25Å; M263-K266 WeakPolarHBondContact O-CB 3.28Å; M263-K266 PolarHBondContact O-N 2.8Å; Y264-K266 VanDerWaalsContact C-N 3.3Å; Y264-K266 PolarHBondContact O-N 3.46Å; K266-E269 PolarHBondContact O-N 3.15Å; K266-K270 PolarHBondContact O-N 3.17Å; K266-K270 VanDerWaalsContact O-N 3.08Å
267	E	85	Confident	77.2	Confident	8 Å²	8	72.7 Å²	72.7	4%	0.037	37%	0.365	C	S	.	.	H	α-helix	trans	-69.6	-41.3	176.5	-59.7	-49.1	121.6	0	0	111.4	M263 Y264 Q265 E269 K270 H271	M263-E267 PolarHBondContact O-N 2.86Å; Y264-E267 PolarHBondContact O-N 3.13Å; Y264-E267 VanDerWaalsContact O-N 3.13Å; Q265-E267 VanDerWaalsContact C-N 3.35Å; Q265-E267 PolarHBondContact O-N 3.22Å; E267-E269 VanDerWaalsContact C-N 3.29Å; E267-E269 PolarHBondContact O-N 3.06Å; E267-K270 WeakPolarHBondContact O-CB 3.33Å; E267-K270 PolarHBondContact O-N 3.38Å; E267-K270 VanDerWaalsContact O-N 3.14Å; E267-K270 WeakPolarHBondContact OE1-CE 3.29Å; E267-K270 IonicContact OE1-NZ 3.95Å; E267-K270 PolarHBondContact OE1-NZ 3.21Å; E267-K270 WeakPolarHBondContact OE2-CD 3.38Å; E267-K270 WeakPolarHBondContact OE2-CE 3.11Å; E267-K270 IonicContact OE2-NZ 3.19Å; E267-K270 PolarHBondContact OE2-NZ 2.79Å; E267-H271 PolarHBondContact O-CD2 3.03Å; E267-H271 PolarHBondContact O-N 3.27Å; E267-H271 PolarHBondContact O-NE2 3.35Å
268	L	88.1	Confident	79.7	Confident	12 Å²	12	71.4 Å²	71.4	6%	0.063	36%	0.358	C	S	.	.	H	α-helix	trans	-58.2	-40.9	172	-177.5	58	0	0	0	112	Y264 Q265 H271 V272 A528 L529 F613	Y264-L268 HydrophobicContact CE1-CB 4.13Å; Y264-L268 HydrophobicContact CE1-CD2 4.02Å; Y264-L268 PolarHBondContact O-N 3.07Å; Q265-L268 PolarHBondContact O-N 3.19Å; L268-H271 PolarHBondContact O-N 3.21Å; L268-V272 WeakPolarHBondContact O-CG2 3.33Å; L268-V272 PolarHBondContact O-N 3.39Å; L268-A528 HydrophobicContact CD1-CB 3.97Å; L268-L529 HydrophobicContact CD1-CB 4.44Å; L268-L529 HydrophobicContact CD1-CD1 4.02Å; L268-L529 HydrophobicContact CD1-CG 4.13Å; L268-F613 HydrophobicContact CD1-CE2 4.08Å; L268-F613 HydrophobicContact CD1-CZ 3.89Å; L268-F613 HydrophobicContact CD2-CE2 4.35Å; L268-F613 HydrophobicContact CD2-CZ 4.07Å; L268-F613 HydrophobicContact CG-CZ 4.23Å
269	E	89.3	Confident	81.8	Confident	92 Å²	92	67.8 Å²	67.8	43%	0.43	35%	0.347	S	S	.	.	H	α-helix	trans	-61.9	-43.9	173.6	-75.1	163.5	-164.6	0	0	112.3	Q265 K266 E267 H271 V272 I273	Q265-E269 WeakPolarHBondContact CG-OE1 3.28Å; Q265-E269 PolarHBondContact NE2-OE1 2.76Å; Q265-E269 WeakPolarHBondContact O-CG 3.43Å; Q265-E269 PolarHBondContact O-N 3.43Å; K266-E269 PolarHBondContact O-N 3.15Å; E267-E269 VanDerWaalsContact C-N 3.29Å; E267-E269 PolarHBondContact O-N 3.06Å; E269-H271 VanDerWaalsContact C-N 3.29Å; E269-H271 PolarHBondContact O-N 3.46Å; E269-V272 PolarHBondContact O-N 3.44Å; E269-I273 WeakPolarHBondContact O-CG1 3.28Å; E269-I273 PolarHBondContact O-N 3.28Å; E269-I273 VanDerWaalsContact O-N 3.11Å
270	K	91.1	Very high	83.7	Confident	92 Å²	92	65.9 Å²	65.9	40%	0.4	32%	0.324	S	S	.	.	H	α-helix	trans	-57	-43.4	171.1	-64.2	-176	-160.8	162.4	0	111.3	K266 E267 I273 A274	K266-K270 PolarHBondContact O-N 3.17Å; K266-K270 VanDerWaalsContact O-N 3.08Å; E267-K270 WeakPolarHBondContact O-CB 3.33Å; E267-K270 PolarHBondContact O-N 3.38Å; E267-K270 VanDerWaalsContact O-N 3.14Å; E267-K270 WeakPolarHBondContact OE1-CE 3.29Å; E267-K270 IonicContact OE1-NZ 3.95Å; E267-K270 PolarHBondContact OE1-NZ 3.21Å; E267-K270 WeakPolarHBondContact OE2-CD 3.38Å; E267-K270 WeakPolarHBondContact OE2-CE 3.11Å; E267-K270 IonicContact OE2-NZ 3.19Å; E267-K270 PolarHBondContact OE2-NZ 2.79Å; K270-I273 PolarHBondContact O-N 3.26Å; K270-A274 WeakPolarHBondContact O-CB 3.46Å; K270-A274 PolarHBondContact O-N 3.42Å
271	H	92.2	Very high	85.4	Confident	8 Å²	8	59.6 Å²	59.6	4%	0.037	30%	0.302	C	S	.	.	H	α-helix	trans	-68.2	-39	-178.2	-55.7	169	0	0	0	112	E267 L268 E269 I273 A274 F275 A528 L529 P671	E267-H271 PolarHBondContact O-CD2 3.03Å; E267-H271 PolarHBondContact O-N 3.27Å; E267-H271 PolarHBondContact O-NE2 3.35Å; L268-H271 PolarHBondContact O-N 3.21Å; E269-H271 VanDerWaalsContact C-N 3.29Å; E269-H271 PolarHBondContact O-N 3.46Å; H271-I273 VanDerWaalsContact C-N 3.31Å; H271-I273 PolarHBondContact O-N 2.88Å; H271-A274 PolarHBondContact O-N 3.4Å; H271-F275 WeakPolarHBondContact O-CB 3.17Å; H271-F275 WeakPolarHBondContact O-CD2 3.34Å; H271-F275 PolarHBondContact O-N 3.3Å; H271-A528 PolarHBondContact ND1-O 2.94Å; H271-L529 HydrophobicContact CB-CB 3.48Å; H271-L529 VanDerWaalsContact CB-CB 3.48Å; H271-L529 HydrophobicContact CB-CD1 4.13Å; H271-L529 HydrophobicContact CB-CG 4.46Å; H271-L529 PolarHBondContact ND1-O 2.9Å; H271-P671 VanDerWaalsContact CE1-CG 3.46Å; H271-P671 WeakPolarHBondContact CE1-CG 3.31Å; H271-P671 VanDerWaalsContact NE2-CD 3.34Å; H271-P671 WeakPolarHBondContact NE2-CD 3.38Å; H271-P671 VanDerWaalsContact NE2-CG 3.28Å; H271-P671 WeakPolarHBondContact NE2-CG 3.4Å
272	V	92.4	Very high	87.2	Confident	41 Å²	41	57.4 Å²	57.4	25%	0.248	28%	0.284	C	S	.	.	H	α-helix	trans	-56.2	-47.8	172.5	169.6	0	0	0	0	110.2	L268 E269 T276 L529 F613	L268-V272 WeakPolarHBondContact O-CG2 3.33Å; L268-V272 PolarHBondContact O-N 3.39Å; E269-V272 PolarHBondContact O-N 3.44Å; V272-T276 VanDerWaalsContact O-CB 3.24Å; V272-T276 WeakPolarHBondContact O-CB 3.42Å; V272-T276 PolarHBondContact O-N 3.43Å; V272-T276 VanDerWaalsContact O-N 3.1Å; V272-T276 PolarHBondContact O-OG1 3.24Å; V272-L529 HydrophobicContact CB-CD1 4.18Å; V272-L529 HydrophobicContact CG2-CD1 3.44Å; V272-L529 VanDerWaalsContact CG2-CD1 3.44Å; V272-F613 HydrophobicContact CG2-CE1 3.85Å; V272-F613 HydrophobicContact CG2-CZ 4.49Å
273	I	92.1	Very high	88.7	Confident	74 Å²	74	51.5 Å²	51.5	38%	0.379	26%	0.264	S	S	.	.	H	α-helix	trans	-62.3	-53.6	178	-65.4	166.3	0	0	0	110.1	E269 K270 H271 F275 T276 E277	E269-I273 WeakPolarHBondContact O-CG1 3.28Å; E269-I273 PolarHBondContact O-N 3.28Å; E269-I273 VanDerWaalsContact O-N 3.11Å; K270-I273 PolarHBondContact O-N 3.26Å; H271-I273 VanDerWaalsContact C-N 3.31Å; H271-I273 PolarHBondContact O-N 2.88Å; I273-F275 PolarHBondContact O-N 3.49Å; I273-T276 PolarHBondContact O-N 3.44Å; I273-E277 VanDerWaalsContact CG2-CD 3.5Å; I273-E277 HydrophobicContact CG2-CG 4.06Å; I273-E277 PolarHBondContact O-N 2.8Å
274	A	92.8	Very high	90	Very high	22 Å²	22	47.6 Å²	47.6	18%	0.182	25%	0.245	C	C	.	.	H	α-helix	trans	-58.8	-41.3	-177.3	0	0	0	0	0	113.3	K270 H271 G278 I670	K270-A274 WeakPolarHBondContact O-CB 3.46Å; K270-A274 PolarHBondContact O-N 3.42Å; H271-A274 PolarHBondContact O-N 3.4Å; A274-G278 WeakPolarHBondContact O-CA 3.19Å; A274-G278 PolarHBondContact O-N 2.98Å; A274-G278 VanDerWaalsContact O-N 3.09Å; A274-I670 HydrophobicContact CB-CD1 3.64Å
275	F	93.8	Very high	91	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.009	24%	0.243	C	C	.	.	H	α-helix	trans	-68.2	-35.4	174.5	-94.6	-91.1	0	0	0	113.2	H271 I273 N279 L280 L282 L529 R621 F667 I670	H271-F275 WeakPolarHBondContact O-CB 3.17Å; H271-F275 WeakPolarHBondContact O-CD2 3.34Å; H271-F275 PolarHBondContact O-N 3.3Å; I273-F275 PolarHBondContact O-N 3.49Å; F275-N279 PolarHBondContact O-N 3.2Å; F275-L280 HydrophobicContact CD1-CB 3.61Å; F275-L280 HydrophobicContact CE1-CB 4.06Å; F275-L280 HydrophobicContact CG-CB 4.14Å; F275-L280 HydrophobicContact CG-CD1 4.38Å; F275-L280 PolarHBondContact O-N 3.32Å; F275-L282 HydrophobicContact CE1-CG 4.26Å; F275-L282 HydrophobicContact CZ-CD2 4.41Å; F275-L282 HydrophobicContact CZ-CG 4.41Å; F275-L529 HydrophobicContact CD2-CB 4.01Å; F275-L529 HydrophobicContact CD2-CD2 4.49Å; F275-L529 HydrophobicContact CE2-CB 3.96Å; F275-L529 WeakPolarHBondContact CE2-O 3.32Å; F275-R621 HydrophobicContact CD1-CB 4.39Å; F275-R621 HydrophobicContact CD1-CG 4.31Å; F275-R621 HydrophobicContact CE1-CB 3.98Å; F275-R621 HydrophobicContact CE1-CG 4.13Å; F275-R621 HydrophobicContact CZ-CB 4.3Å; F275-F667 AromaticContact CE1-CE1 3.84Å; F275-F667 HydrophobicContact CE1-CE1 3.84Å; F275-F667 HydrophobicContact CE1-CZ 4.36Å; F275-F667 AromaticContact CZ-CE1 3.76Å; F275-F667 HydrophobicContact CZ-CE1 3.76Å; F275-I670 HydrophobicContact CD2-CD1 3.51Å; F275-I670 HydrophobicContact CD2-CG1 4.23Å; F275-I670 HydrophobicContact CE2-CD1 3.58Å; F275-I670 HydrophobicContact CE2-CG1 3.9Å; F275-I670 HydrophobicContact CE2-CG2 3.84Å; F275-I670 HydrophobicContact CG-CD1 4.49Å; F275-I670 HydrophobicContact CZ-CG2 4.34Å
276	T	90.4	Very high	91.6	Very high	67 Å²	67	45.2 Å²	45.2	41%	0.411	24%	0.235	S	C	.	.	H	α-helix	trans	-80.4	-53.6	-174.4	-55.8	0	0	0	0	111.3	V272 I273 N279	V272-T276 VanDerWaalsContact O-CB 3.24Å; V272-T276 WeakPolarHBondContact O-CB 3.42Å; V272-T276 PolarHBondContact O-N 3.43Å; V272-T276 VanDerWaalsContact O-N 3.1Å; V272-T276 PolarHBondContact O-OG1 3.24Å; I273-T276 PolarHBondContact O-N 3.44Å; T276-N279 PolarHBondContact O-N 2.8Å
277	E	91.1	Very high	92.1	Very high	161 Å²	161	43.8 Å²	43.8	75%	0.752	23%	0.233	S	C	*	.	H	α-helix	trans	-68.4	-39.1	178.4	-63.2	-174.4	169.3	0	0	111.9	I273 N279	I273-E277 VanDerWaalsContact CG2-CD 3.5Å; I273-E277 HydrophobicContact CG2-CG 4.06Å; I273-E277 PolarHBondContact O-N 2.8Å; E277-N279 PolarHBondContact O-N 3.17Å
278	G	88.6	Confident	92.4	Very high	31 Å²	31	51 Å²	51	32%	0.32	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-10.1	174.8	0	0	0	0	0	114.5	A274 L280	A274-G278 WeakPolarHBondContact O-CA 3.19Å; A274-G278 PolarHBondContact O-N 2.98Å; A274-G278 VanDerWaalsContact O-N 3.09Å; G278-L280 PolarHBondContact O-N 3.09Å
279	N	90.2	Very high	92.6	Very high	105 Å²	105	52.1 Å²	52.1	56%	0.561	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	48	45.6	-170.6	-172.4	2.6	0	0	0	110.8	F275 T276 E277 R616	F275-N279 PolarHBondContact O-N 3.2Å; T276-N279 PolarHBondContact O-N 2.8Å; E277-N279 PolarHBondContact O-N 3.17Å; N279-R616 PolarHBondContact OD1-NH2 3.37Å
280	L	94.1	Very high	92.7	Very high	14 Å²	14	51.2 Å²	51.2	7%	0.073	27%	0.27	C	S	.	.			trans	-74.7	141.9	-173.1	-57.9	-175.9	0	0	0	110.2	F275 G278 K666 F667 I670	F275-L280 HydrophobicContact CD1-CB 3.61Å; F275-L280 HydrophobicContact CE1-CB 4.06Å; F275-L280 HydrophobicContact CG-CB 4.14Å; F275-L280 HydrophobicContact CG-CD1 4.38Å; F275-L280 PolarHBondContact O-N 3.32Å; G278-L280 PolarHBondContact O-N 3.09Å; L280-K666 HydrophobicContact CD2-CB 3.6Å; L280-K666 HydrophobicContact CD2-CD 4.41Å; L280-K666 WeakPolarHBondContact CD2-O 3.34Å; L280-F667 HydrophobicContact CB-CE1 4.16Å; L280-F667 HydrophobicContact CB-CE2 4.48Å; L280-F667 HydrophobicContact CB-CZ 3.93Å; L280-F667 HydrophobicContact CD1-CD1 4.28Å; L280-F667 HydrophobicContact CD1-CE1 4.26Å; L280-I670 HydrophobicContact CD1-CD1 3.83Å; L280-I670 HydrophobicContact CD1-CG1 3.49Å; L280-I670 VanDerWaalsContact CD1-CG1 3.49Å
281	T	94.3	Very high	92.7	Very high	14 Å²	14	50.1 Å²	50.1	9%	0.086	27%	0.272	C	S	.	.			trans	-143.4	119.5	179.7	-65.3	0	0	0	0	106.4	D285 R616 F617	T281-D285 HydrophobicContact CG2-CB 4.2Å; T281-R616 PolarHBondContact OG1-NE 3.15Å; T281-R616 PolarHBondContact OG1-NH2 2.96Å; T281-F617 HydrophobicContact CG2-CD2 4.18Å; T281-F617 HydrophobicContact CG2-CE2 3.53Å; T281-F617 HydrophobicContact CG2-CZ 4.44Å
282	L	95.7	Very high	92.6	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-64.7	149	-177.4	-71.4	167.3	0	0	0	109.9	F275 P284 V581 R619 R621 E623 Q663 F667	F275-L282 HydrophobicContact CE1-CG 4.26Å; F275-L282 HydrophobicContact CZ-CD2 4.41Å; F275-L282 HydrophobicContact CZ-CG 4.41Å; L282-P284 CarbonylContact O-C 3.58Å; L282-V581 HydrophobicContact CB-CG1 3.9Å; L282-V581 HydrophobicContact CB-CG2 4.12Å; L282-V581 HydrophobicContact CD1-CG1 3.66Å; L282-V581 HydrophobicContact CD1-CG2 4.23Å; L282-V581 HydrophobicContact CG-CG1 4.43Å; L282-R619 PolarHBondContact O-NH2 2.69Å; L282-R621 HydrophobicContact CD1-CB 4.48Å; L282-E623 HydrophobicContact CD1-CB 4.46Å; L282-E623 HydrophobicContact CD2-CB 4.37Å; L282-Q663 VanDerWaalsContact CD2-CD 3.43Å; L282-Q663 HydrophobicContact CD2-CG 3.89Å; L282-F667 HydrophobicContact CD2-CD1 4.25Å; L282-F667 HydrophobicContact CD2-CE1 3.44Å; L282-F667 VanDerWaalsContact CD2-CE1 3.44Å; L282-F667 HydrophobicContact CD2-CZ 3.74Å; L282-F667 HydrophobicContact CG-CE1 4.17Å; L282-F667 HydrophobicContact CG-CZ 4.19Å
283	Q	96.2	Very high	92.6	Very high	54 Å²	54	54.4 Å²	54.4	25%	0.252	29%	0.287	S	S	.	.	S	Bend	trans	-69.7	150.7	173.2	-67.1	-64.1	-6.9	0	0	111.3	R492	Q283-R492 VanDerWaalsContact C-NH1 3.34Å; Q283-R492 PolarHBondContact O-NH1 3.15Å
284	P	95.5	Very high	92.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.271	C	S	.	.	S	Bend	cis	-67	129.7	-11.4	30.5	-36.3	0	0	0	111.2	L282 L286 V289 R619	L282-P284 CarbonylContact O-C 3.58Å; P284-L286 HydrophobicContact CB-CD2 4.09Å; P284-L286 HydrophobicContact CG-CD2 4Å; P284-L286 PolarHBondContact O-N 3.36Å; P284-V289 HydrophobicContact CB-CG1 4.16Å; P284-V289 HydrophobicContact CB-CG2 4.25Å; P284-R619 PolarHBondContact O-NH1 2.87Å; P284-R619 PolarHBondContact O-NH2 3.42Å
285	D	94.9	Very high	92.8	Very high	6 Å²	6	50.5 Å²	50.5	3%	0.032	26%	0.264	C	S	.	.			trans	-83	101.7	167.6	178.7	-8.2	0	0	0	108.2	T281 N287 K288 V289 F617	T281-D285 HydrophobicContact CG2-CB 4.2Å; D285-N287 PolarHBondContact O-N 3.04Å; D285-N287 WeakPolarHBondContact OD1-CB 3.15Å; D285-N287 PolarHBondContact OD1-N 2.59Å; D285-N287 VanDerWaalsContact OD1-N 3.15Å; D285-N287 PolarHBondContact OD1-ND2 2.81Å; D285-K288 HydrophobicContact CB-CB 4.49Å; D285-K288 PolarHBondContact O-N 3.05Å; D285-K288 IonicContact OD2-NZ 3.02Å; D285-K288 PolarHBondContact OD2-NZ 3Å; D285-V289 PolarHBondContact O-N 3.33Å; D285-F617 WeakPolarHBondContact OD1-CZ 3.37Å
286	L	93.2	Very high	92.8	Very high	21 Å²	21	51.5 Å²	51.5	11%	0.11	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-5.3	-172.2	-50	-179.7	0	0	0	114.5	P284 V289 I300 F303 F617	P284-L286 HydrophobicContact CB-CD2 4.09Å; P284-L286 HydrophobicContact CG-CD2 4Å; P284-L286 PolarHBondContact O-N 3.36Å; L286-V289 HydrophobicContact CD2-CG2 4.28Å; L286-I300 HydrophobicContact CD1-CD1 3.71Å; L286-F303 HydrophobicContact CB-CE1 4.17Å; L286-F303 HydrophobicContact CB-CZ 3.91Å; L286-F303 WeakPolarHBondContact O-CZ 3.32Å; L286-F617 HydrophobicContact CB-CD1 4.13Å; L286-F617 HydrophobicContact CB-CE1 3.59Å; L286-F617 HydrophobicContact CB-CE2 4.38Å; L286-F617 HydrophobicContact CB-CZ 3.71Å; L286-F617 HydrophobicContact CD1-CD1 3.88Å; L286-F617 HydrophobicContact CD1-CE1 4.23Å; L286-F617 HydrophobicContact CD1-CG 4.11Å; L286-F617 HydrophobicContact CG-CD1 4.14Å; L286-F617 HydrophobicContact CG-CD2 4.43Å; L286-F617 HydrophobicContact CG-CE1 4.05Å; L286-F617 HydrophobicContact CG-CE2 4.31Å; L286-F617 HydrophobicContact CG-CG 4.32Å; L286-F617 HydrophobicContact CG-CZ 4.1Å
287	N	92.2	Very high	93	Very high	95 Å²	95	49.8 Å²	49.8	51%	0.508	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-15.6	169.3	-54.3	-86	0	0	0	113.7	D285 F303 F617	D285-N287 PolarHBondContact O-N 3.04Å; D285-N287 WeakPolarHBondContact OD1-CB 3.15Å; D285-N287 PolarHBondContact OD1-N 2.59Å; D285-N287 VanDerWaalsContact OD1-N 3.15Å; D285-N287 PolarHBondContact OD1-ND2 2.81Å; N287-F303 WeakPolarHBondContact OD1-CE2 3.35Å; N287-F617 VanDerWaalsContact ND2-CZ 3.32Å; N287-F617 WeakPolarHBondContact ND2-CZ 3.26Å
288	K	92.9	Very high	93.2	Very high	160 Å²	160	42.5 Å²	42.5	70%	0.696	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-127.7	-6.4	-166	-57.8	-164.1	-176.2	79.4	0	114.5	D285	D285-K288 HydrophobicContact CB-CB 4.49Å; D285-K288 PolarHBondContact O-N 3.05Å; D285-K288 IonicContact OD2-NZ 3.02Å; D285-K288 PolarHBondContact OD2-NZ 3Å
289	V	91.9	Very high	93.4	Very high	35 Å²	35	47.4 Å²	47.4	21%	0.212	24%	0.244	C	C	.	.	S	Bend	trans	-101.3	152.7	179.3	-62.1	0	0	0	0	111.3	P284 D285 L286 N294	P284-V289 HydrophobicContact CB-CG1 4.16Å; P284-V289 HydrophobicContact CB-CG2 4.25Å; D285-V289 PolarHBondContact O-N 3.33Å; L286-V289 HydrophobicContact CD2-CG2 4.28Å; V289-N294 HydrophobicContact CB-CB 3.93Å; V289-N294 HydrophobicContact CG2-CB 3.46Å; V289-N294 VanDerWaalsContact CG2-CB 3.46Å
290	D	91.9	Very high	93.5	Very high	74 Å²	74	42.6 Å²	42.6	40%	0.396	22%	0.219	S	C	.	.			trans	-67.1	118.3	175.7	175.3	-1.3	0	0	0	110.7	D292 R293 N294	D290-D292 VanDerWaalsContact C-N 3.27Å; D290-D292 PolarHBondContact O-N 3.41Å; D290-D292 PolarHBondContact OD1-N 2.84Å; D290-R293 HydrophobicContact CB-CB 4.25Å; D290-R293 HydrophobicContact CB-CG 4.39Å; D290-R293 PolarHBondContact O-N 3.17Å; D290-R293 VanDerWaalsContact O-N 3.1Å; D290-R293 WeakPolarHBondContact OD2-CD 3.41Å; D290-R293 WeakPolarHBondContact OD2-CG 3.14Å; D290-N294 VanDerWaalsContact O-CB 3.31Å; D290-N294 WeakPolarHBondContact O-CB 3.31Å; D290-N294 PolarHBondContact O-N 2.68Å; D290-N294 PolarHBondContact O-ND2 3.19Å; D290-N294 VanDerWaalsContact O-ND2 3.16Å
291	P	90.6	Very high	93.3	Very high	69 Å²	69	47 Å²	47	45%	0.448	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-19.6	-177.4	29.9	-36.3	0	0	0	114.1	R293	P291-R293 VanDerWaalsContact C-N 3.25Å
292	D	89.4	Confident	93	Very high	53 Å²	53	54.8 Å²	54.8	28%	0.283	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-12.7	174	-85	1.3	0	0	0	112.1	D290 Y295 K309 R311	D290-D292 VanDerWaalsContact C-N 3.27Å; D290-D292 PolarHBondContact O-N 3.41Å; D290-D292 PolarHBondContact OD1-N 2.84Å; D292-Y295 VanDerWaalsContact O-CE2 3.26Å; D292-Y295 WeakPolarHBondContact O-CE2 3.46Å; D292-Y295 PolarHBondContact O-OH 3.02Å; D292-K309 VanDerWaalsContact CG-CB 3.48Å; D292-K309 WeakPolarHBondContact OD1-CB 3.33Å; D292-K309 PolarHBondContact OD1-N 3.3Å; D292-K309 WeakPolarHBondContact OD2-CB 3.29Å; D292-R311 PolarHBondContact O-NE 3.17Å; D292-R311 PolarHBondContact O-NH2 2.72Å
293	R	92.1	Very high	92.7	Very high	85 Å²	85	57 Å²	57	32%	0.321	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-23.4	177.2	-62.9	176.8	68.1	-165.7	-6.4	113.1	D290 P291 D426 E428 S429	D290-R293 HydrophobicContact CB-CB 4.25Å; D290-R293 HydrophobicContact CB-CG 4.39Å; D290-R293 PolarHBondContact O-N 3.17Å; D290-R293 VanDerWaalsContact O-N 3.1Å; D290-R293 WeakPolarHBondContact OD2-CD 3.41Å; D290-R293 WeakPolarHBondContact OD2-CG 3.14Å; P291-R293 VanDerWaalsContact C-N 3.25Å; R293-D426 WeakPolarHBondContact CB-O 3.2Å; R293-D426 WeakPolarHBondContact CG-O 3.41Å; R293-D426 PolarHBondContact NE-O 2.66Å; R293-E428 HydrophobicContact CB-CG 4.39Å; R293-E428 IonicContact CZ-OE1 2.73Å; R293-E428 VanDerWaalsContact CZ-OE1 3.26Å; R293-E428 IonicContact NE-OE1 2.84Å; R293-E428 IonicContact NH1-OE1 3.8Å; R293-E428 VanDerWaalsContact NH2-CD 3.29Å; R293-E428 IonicContact NH2-OE1 3.23Å; R293-E428 PolarHBondContact NH2-OE1 3.19Å; R293-E428 PolarHBondContact O-N 2.84Å; R293-S429 PolarHBondContact O-N 3.15Å
294	N	94.1	Very high	92.3	Very high	8 Å²	8	58.9 Å²	58.9	4%	0.043	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	81.8	-174.1	-68.7	-93.5	0	0	0	109.9	V289 D290 E428 S429	V289-N294 HydrophobicContact CB-CB 3.93Å; V289-N294 HydrophobicContact CG2-CB 3.46Å; V289-N294 VanDerWaalsContact CG2-CB 3.46Å; D290-N294 VanDerWaalsContact O-CB 3.31Å; D290-N294 WeakPolarHBondContact O-CB 3.31Å; D290-N294 PolarHBondContact O-N 2.68Å; D290-N294 PolarHBondContact O-ND2 3.19Å; D290-N294 VanDerWaalsContact O-ND2 3.16Å; N294-E428 PolarHBondContact ND2-OE2 3.37Å; N294-S429 WeakPolarHBondContact CA-OG 3.4Å; N294-S429 VanDerWaalsContact CB-OG 3.23Å; N294-S429 WeakPolarHBondContact CB-OG 3.45Å; N294-S429 VanDerWaalsContact CG-OG 3.28Å; N294-S429 WeakPolarHBondContact OD1-CB 3.44Å; N294-S429 PolarHBondContact OD1-OG 3.05Å
295	Y	95.1	Very high	91.7	Very high	7 Å²	7	62.8 Å²	62.8	3%	0.027	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	133.9	-170.9	-75	-84.4	0	0	0	112.3	D292 Y297 K309 R311 Y421 V427 S429 A430 T431	D292-Y295 VanDerWaalsContact O-CE2 3.26Å; D292-Y295 WeakPolarHBondContact O-CE2 3.46Å; D292-Y295 PolarHBondContact O-OH 3.02Å; Y295-Y297 VanDerWaalsContact CB-CZ 3.44Å; Y295-Y297 WeakPolarHBondContact CB-OH 3.47Å; Y295-Y297 HydrophobicContact CD1-CE1 4.28Å; Y295-Y297 HydrophobicContact CG-CE1 4.34Å; Y295-K309 PolarHBondContact OH-O 3.11Å; Y295-R311 VanDerWaalsContact OH-CD 3.26Å; Y295-R311 WeakPolarHBondContact OH-CD 3.49Å; Y295-R311 WeakPolarHBondContact OH-CG 3.46Å; Y295-R311 PolarHBondContact OH-NE 3.2Å; Y295-Y421 AromaticContact CD1-CD2 3.77Å; Y295-Y421 HydrophobicContact CD1-CD2 3.77Å; Y295-Y421 AromaticContact CD1-CE2 3.88Å; Y295-Y421 HydrophobicContact CD1-CE2 3.88Å; Y295-Y421 AromaticContact CD2-CD2 3.76Å; Y295-Y421 HydrophobicContact CD2-CD2 3.76Å; Y295-Y421 AromaticContact CE1-CD2 3.59Å; Y295-Y421 HydrophobicContact CE1-CD2 3.59Å; Y295-Y421 AromaticContact CE1-CE2 3.4Å; Y295-Y421 HydrophobicContact CE1-CE2 3.4Å; Y295-Y421 AromaticContact CE2-CD2 3.56Å; Y295-Y421 HydrophobicContact CE2-CD2 3.56Å; Y295-Y421 HydrophobicContact CE2-CE2 4.13Å; Y295-Y421 HydrophobicContact CE2-CG 4.23Å; Y295-Y421 AromaticContact CG-CD2 3.86Å; Y295-Y421 HydrophobicContact CG-CD2 3.86Å; Y295-Y421 HydrophobicContact CG-CE2 4.44Å; Y295-Y421 AromaticContact CZ-CD2 3.48Å; Y295-Y421 VanDerWaalsContact CZ-CD2 3.48Å; Y295-Y421 AromaticContact CZ-CE2 3.53Å; Y295-V427 HydrophobicContact CD2-CG1 4.01Å; Y295-V427 HydrophobicContact CE2-CG1 4.24Å; Y295-V427 HydrophobicContact CE2-CG2 4.43Å; Y295-S429 PolarHBondContact N-O 3.11Å; Y295-A430 CarbonylContact O-C 3.43Å; Y295-A430 VanDerWaalsContact O-CA 3.25Å; Y295-A430 WeakPolarHBondContact O-CA 3.16Å; Y295-T431 PolarHBondContact O-N 3.24Å
296	R	95.2	Very high	90.8	Very high	23 Å²	23	65.3 Å²	65.3	9%	0.087	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	127.1	166.3	169.9	177.9	49.9	112.3	3.2	109.6	C298 I300 P304 A305 S306	R296-C298 WeakPolarHBondContact CD-O 3.45Å; R296-C298 VanDerWaalsContact CG-O 3.22Å; R296-C298 WeakPolarHBondContact CG-O 3.49Å; R296-I300 VanDerWaalsContact CD-CD1 3.42Å; R296-P304 PolarHBondContact NH1-O 2.92Å; R296-P304 PolarHBondContact NH2-O 3.05Å; R296-A305 PolarHBondContact NH2-O 3.45Å; R296-S306 VanDerWaalsContact O-CB 3.28Å; R296-S306 WeakPolarHBondContact O-CB 3.5Å; R296-S306 PolarHBondContact O-OG 3.28Å
297	Y	94.7	Very high	89.4	Confident	30 Å²	30	72.4 Å²	72.4	12%	0.118	40%	0.399	C	S	.	.			trans	-108.5	-8.1	-177.7	-54	-68.3	0	0	0	113.1	Y295 P417 R419 I420 Y421 A430 T431 L432 Q436	Y295-Y297 VanDerWaalsContact CB-CZ 3.44Å; Y295-Y297 WeakPolarHBondContact CB-OH 3.47Å; Y295-Y297 HydrophobicContact CD1-CE1 4.28Å; Y295-Y297 HydrophobicContact CG-CE1 4.34Å; Y297-P417 HydrophobicContact CD1-CB 3.73Å; Y297-P417 HydrophobicContact CD1-CG 3.45Å; Y297-P417 VanDerWaalsContact CD1-CG 3.45Å; Y297-P417 HydrophobicContact CE1-CG 4.14Å; Y297-P417 HydrophobicContact CG-CB 4.35Å; Y297-P417 HydrophobicContact CG-CG 3.79Å; Y297-R419 WeakPolarHBondContact CE1-O 3.47Å; Y297-I420 HydrophobicContact CE2-CG2 4.07Å; Y297-Y421 WeakPolarHBondContact OH-CD2 3.26Å; Y297-Y421 PolarHBondContact OH-N 2.94Å; Y297-A430 HydrophobicContact CE2-CB 3.83Å; Y297-T431 PolarHBondContact N-O 2.88Å; Y297-L432 HydrophobicContact CD2-CD1 4.15Å; Y297-L432 HydrophobicContact CD2-CG 4Å; Y297-Q436 PolarHBondContact O-NE2 3.1Å
298	C	94.6	Very high	88.2	Confident	8 Å²	8	69 Å²	69	5%	0.054	39%	0.386	C	S	.	.	S	Bend	trans	-107.9	150.3	176.5	57.9	0	0	0	0	113.2	R296	R296-C298 WeakPolarHBondContact CD-O 3.45Å; R296-C298 VanDerWaalsContact CG-O 3.22Å; R296-C298 WeakPolarHBondContact CG-O 3.49Å
299	T	92.8	Very high	87.2	Confident	134 Å²	134	68.3 Å²	68.3	82%	0.822	38%	0.383	S	S	*	.			trans	-67.5	138.9	162.6	-53.6	0	0	0	0	109.5
300	I	92.4	Very high	86.6	Confident	5 Å²	5	71.1 Å²	71.1	3%	0.026	40%	0.397	C	S	.	.			trans	-121.4	129.6	172.2	-66.7	173.3	0	0	0	106.5	L286 R296 N302 F303 F617	L286-I300 HydrophobicContact CD1-CD1 3.71Å; R296-I300 VanDerWaalsContact CD-CD1 3.42Å; I300-N302 PolarHBondContact O-N 2.79Å; I300-F303 HydrophobicContact CB-CB 3.87Å; I300-F303 HydrophobicContact CG2-CB 3.8Å; I300-F303 PolarHBondContact O-N 3.29Å; I300-F617 HydrophobicContact CD1-CB 3.9Å; I300-F617 HydrophobicContact CD1-CD1 4.18Å; I300-F617 HydrophobicContact CD1-CG 4.46Å
301	P	90	Very high	86	Confident	106 Å²	106	69.6 Å²	69.6	69%	0.688	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	135.7	178.3	-26.6	35.3	0	0	0	112.2	F303	P301-F303 PolarHBondContact O-N 3.3Å; P301-F303 VanDerWaalsContact O-N 3.11Å
302	N	88	Confident	85	Confident	177 Å²	177	74.7 Å²	74.7	95%	0.947	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	15.2	179.9	-50.6	-44.4	0	0	0	115.7	I300	I300-N302 PolarHBondContact O-N 2.79Å
303	F	89.6	Confident	83.9	Confident	47 Å²	47	76 Å²	76	21%	0.206	41%	0.41	C	S	.	.	S	Bend	trans	-110.4	143.4	173.4	-156.2	-96.9	0	0	0	110.5	L286 N287 I300 P301 F617	L286-F303 HydrophobicContact CB-CE1 4.17Å; L286-F303 HydrophobicContact CB-CZ 3.91Å; L286-F303 WeakPolarHBondContact O-CZ 3.32Å; N287-F303 WeakPolarHBondContact OD1-CE2 3.35Å; I300-F303 HydrophobicContact CB-CB 3.87Å; I300-F303 HydrophobicContact CG2-CB 3.8Å; I300-F303 PolarHBondContact O-N 3.29Å; P301-F303 PolarHBondContact O-N 3.3Å; P301-F303 VanDerWaalsContact O-N 3.11Å; F303-F617 HydrophobicContact CD2-CD1 4.37Å; F303-F617 HydrophobicContact CD2-CE1 4.03Å; F303-F617 HydrophobicContact CE2-CD1 4.42Å; F303-F617 AromaticContact CE2-CE1 3.68Å; F303-F617 HydrophobicContact CE2-CE1 3.68Å; F303-F617 HydrophobicContact CZ-CE1 4.16Å
304	P	87.4	Confident	82.6	Confident	93 Å²	93	76.2 Å²	76.2	60%	0.604	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-53.9	160.6	179.8	-28.8	36	0	0	0	114.2	R296	R296-P304 PolarHBondContact NH1-O 2.92Å; R296-P304 PolarHBondContact NH2-O 3.05Å
305	A	82.8	Confident	81.1	Confident	82 Å²	82	85.4 Å²	85.4	68%	0.678	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-57.8	157.7	170.7	0	0	0	0	0	111.7	R296	R296-A305 PolarHBondContact NH2-O 3.45Å
306	S	76.9	Confident	79.7	Confident	60 Å²	60	94.7 Å²	94.7	42%	0.42	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-80.4	125.3	178	-157	0	0	0	0	110	R296	R296-S306 VanDerWaalsContact O-CB 3.28Å; R296-S306 WeakPolarHBondContact O-CB 3.5Å; R296-S306 PolarHBondContact O-OG 3.28Å
307	Q	63.7	Low	78.4	Confident	170 Å²	170	94.9 Å²	94.9	79%	0.794	50%	0.498	S	S	*	.			trans	-118.6	44.7	179.3	-65.9	-172.3	-9.3	0	0	111.2
308	G	65.4	Low	77.3	Confident	24 Å²	24	97.1 Å²	97.1	25%	0.247	52%	0.516	C	S	.	.	P	Polyproline II helix	trans	-79.5	127.4	174.1	0	0	0	0	0	111.3
309	K	73.4	Confident	76.6	Confident	144 Å²	144	101.5 Å²	101.5	63%	0.626	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-59.2	141.3	178.5	-175.9	178.8	176.6	-176.7	0	111.9	D292 Y295 R311	D292-K309 VanDerWaalsContact CG-CB 3.48Å; D292-K309 WeakPolarHBondContact OD1-CB 3.33Å; D292-K309 PolarHBondContact OD1-N 3.3Å; D292-K309 WeakPolarHBondContact OD2-CB 3.29Å; Y295-K309 PolarHBondContact OH-O 3.11Å; K309-R311 PolarHBondContact O-N 2.9Å
310	L	79.3	Confident	76.2	Confident	94 Å²	94	96.6 Å²	96.6	49%	0.492	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-68.7	123.1	169.2	-66.9	-178.6	0	0	0	110	R419 Y421	L310-R419 HydrophobicContact CD2-CG 4.37Å; L310-Y421 WeakPolarHBondContact CA-OH 3.45Å
311	R	79	Confident	76	Confident	43 Å²	43	97.2 Å²	97.2	16%	0.162	51%	0.506	C	S	.	.	P	Polyproline II helix	trans	-87.4	144.9	173.2	-67.6	169.4	174.3	-104.5	-3.8	110.2	D292 Y295 K309 R419 Y421 D426	D292-R311 PolarHBondContact O-NE 3.17Å; D292-R311 PolarHBondContact O-NH2 2.72Å; Y295-R311 VanDerWaalsContact OH-CD 3.26Å; Y295-R311 WeakPolarHBondContact OH-CD 3.49Å; Y295-R311 WeakPolarHBondContact OH-CG 3.46Å; Y295-R311 PolarHBondContact OH-NE 3.2Å; K309-R311 PolarHBondContact O-N 2.9Å; R311-R419 PolarHBondContact O-NH1 3.14Å; R311-R419 VanDerWaalsContact O-NH1 3.08Å; R311-Y421 HydrophobicContact CB-CD1 4.32Å; R311-Y421 HydrophobicContact CB-CE1 3.7Å; R311-Y421 HydrophobicContact CG-CE1 4.39Å; R311-Y421 PolarHBondContact N-OH 3.03Å; R311-D426 IonicContact CZ-OD1 2.72Å; R311-D426 IonicContact CZ-OD2 2.66Å; R311-D426 VanDerWaalsContact NH1-CG 3.26Å; R311-D426 IonicContact NH1-OD1 2.67Å; R311-D426 PolarHBondContact NH1-OD1 2.93Å; R311-D426 IonicContact NH1-OD2 3.5Å; R311-D426 PolarHBondContact NH1-OD2 2.66Å; R311-D426 IonicContact NH2-OD1 2.84Å; R311-D426 IonicContact NH2-OD2 2.62Å; R311-D426 PolarHBondContact NH2-OD2 3.29Å
312	E	69.5	Low	75.9	Confident	176 Å²	176	92.8 Å²	92.8	82%	0.822	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-79.5	145.1	166.2	-63.9	-178.8	-179	0	0	109.2
313	D	66.4	Low	75.8	Confident	80 Å²	80	88.8 Å²	88.8	43%	0.428	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-89.4	121.9	179.1	-159.2	26.2	0	0	0	109.1	R315 I320 V321	D313-R315 PolarHBondContact O-N 2.95Å; D313-I320 PolarHBondContact OD1-N 3.24Å; D313-V321 HydrophobicContact CB-CG2 4.4Å
314	N	63.6	Low	75.4	Confident	90 Å²	90	87 Å²	87	48%	0.481	45%	0.452	S	S	.	.			trans	-79.2	114	-173.3	-178	-1.2	0	0	0	110.7	Y316 G317 I320	N314-Y316 PolarHBondContact O-N 3.42Å; N314-Y316 PolarHBondContact OD1-N 3.49Å; N314-G317 PolarHBondContact O-N 2.67Å; N314-G317 VanDerWaalsContact O-N 3.17Å; N314-I320 HydrophobicContact CB-CD1 4.3Å
315	R	63.3	Low	75.1	Confident	201 Å²	201	88 Å²	88	76%	0.758	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-19.8	178.6	-72	-167.5	-72.1	-178.3	-3.3	115	D313	D313-R315 PolarHBondContact O-N 2.95Å
316	Y	66.9	Low	75.4	Confident	201 Å²	201	84.8 Å²	84.8	79%	0.788	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.1	24.8	-176.8	-53.8	-70.4	0	0	0	113.1	N314	N314-Y316 PolarHBondContact O-N 3.42Å; N314-Y316 PolarHBondContact OD1-N 3.49Å
317	G	66.4	Low	75.9	Confident	28 Å²	28	84.2 Å²	84.2	29%	0.289	40%	0.403	S	S	.	.	S	Bend	trans	-137	-179.9	-178.7	0	0	0	0	0	114.3	N314 K319	N314-G317 PolarHBondContact O-N 2.67Å; N314-G317 VanDerWaalsContact O-N 3.17Å; G317-K319 PolarHBondContact O-N 3.2Å
318	P	71.1	Confident	77.1	Confident	76 Å²	76	78.9 Å²	78.9	49%	0.494	38%	0.378	S	S	.	.	S	Bend	trans	-56.1	132.5	170.2	-21.5	33.1	0	0	0	110.3	I320	P318-I320 VanDerWaalsContact O-CG1 3.29Å; P318-I320 WeakPolarHBondContact O-CG1 3.47Å; P318-I320 PolarHBondContact O-N 3.03Å
319	K	80.8	Confident	78.1	Confident	100 Å²	100	82.8 Å²	82.8	44%	0.435	39%	0.389	S	S	.	.			trans	-62.3	112.9	-174.4	-70.7	179.7	176.4	174.2	0	109.3	E170 G317 V321 R422	E170-K319 IonicContact OE2-NZ 3.58Å; E170-K319 PolarHBondContact OE2-NZ 2.61Å; G317-K319 PolarHBondContact O-N 3.2Å; K319-V321 VanDerWaalsContact C-N 3.33Å; K319-R422 WeakPolarHBondContact O-CD 3.24Å
320	I	85.3	Confident	78.4	Confident	31 Å²	31	76.8 Å²	76.8	16%	0.159	36%	0.364	C	S	.	.			trans	-79.6	-24.6	-168	-48	-178.5	0	0	0	109.8	D313 N314 P318 Y421 R422 V424	D313-I320 PolarHBondContact OD1-N 3.24Å; N314-I320 HydrophobicContact CB-CD1 4.3Å; P318-I320 VanDerWaalsContact O-CG1 3.29Å; P318-I320 WeakPolarHBondContact O-CG1 3.47Å; P318-I320 PolarHBondContact O-N 3.03Å; I320-Y421 HydrophobicContact CG2-CD1 4.1Å; I320-Y421 CarbonylContact O-C 3.59Å; I320-Y421 WeakPolarHBondContact O-CA 3.26Å; I320-R422 PolarHBondContact O-N 3.46Å; I320-V424 HydrophobicContact CG2-CG2 4.31Å
321	V	88.1	Confident	77.9	Confident	19 Å²	19	75.6 Å²	75.6	12%	0.115	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-109.4	139.3	-177.4	-166.7	0	0	0	0	111.7	D313 K319 R419 Y421	D313-V321 HydrophobicContact CB-CG2 4.4Å; K319-V321 VanDerWaalsContact C-N 3.33Å; V321-R419 HydrophobicContact CG1-CB 3.97Å; V321-R419 HydrophobicContact CG1-CG 4.45Å; V321-Y421 HydrophobicContact CG2-CD1 3.92Å; V321-Y421 HydrophobicContact CG2-CE1 3.8Å
322	L	88.2	Confident	77.7	Confident	12 Å²	12	81.4 Å²	81.4	6%	0.063	39%	0.385	C	S	.	.			trans	-64.8	140.1	170.4	-66.6	-172	0	0	0	111.9	Q324 W326 I420 R422 L567 L568	L322-Q324 PolarHBondContact O-N 3.08Å; L322-W326 HydrophobicContact CB-CH2 4.23Å; L322-I420 HydrophobicContact CB-CB 4.35Å; L322-I420 HydrophobicContact CD1-CB 3.9Å; L322-I420 HydrophobicContact CD1-CD1 4.35Å; L322-I420 HydrophobicContact CD1-CG2 3.67Å; L322-I420 HydrophobicContact CG-CB 4.16Å; L322-I420 HydrophobicContact CG-CG2 4.16Å; L322-I420 PolarHBondContact N-O 2.86Å; L322-R422 HydrophobicContact CD2-CG 3.61Å; L322-R422 HydrophobicContact CG-CG 4.46Å; L322-L567 HydrophobicContact CD1-CB 4.32Å; L322-L567 WeakPolarHBondContact CD2-O 3.18Å; L322-L568 HydrophobicContact CD1-CD2 4.33Å
323	P	84.1	Confident	78.2	Confident	93 Å²	93	75.5 Å²	75.5	60%	0.604	37%	0.371	S	S	*	.			trans	-60	106.8	174.5	-25.6	35.3	0	0	0	112.7	R325 W326	P323-R325 PolarHBondContact O-N 3.49Å; P323-W326 VanDerWaalsContact O-CZ3 3.22Å; P323-W326 WeakPolarHBondContact O-CZ3 3.47Å
324	Q	82.3	Confident	79	Confident	9 Å²	9	77.2 Å²	77.2	4%	0.042	37%	0.372	C	S	.	.			trans	-72	61.1	-175.6	-60.9	163.6	14.3	0	0	113	L322 W326 E418	L322-Q324 PolarHBondContact O-N 3.08Å; Q324-W326 HydrophobicContact CB-CZ2 4.48Å; Q324-W326 HydrophobicContact CG-CZ2 4.27Å; Q324-W326 PolarHBondContact O-N 3.14Å; Q324-E418 PolarHBondContact NE2-O 3.23Å; Q324-E418 VanDerWaalsContact NE2-O 3.14Å
325	R	81.2	Confident	80.2	Confident	116 Å²	116	79.9 Å²	79.9	44%	0.438	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	14	179.1	-71.5	176.5	163.7	-109.7	-1.2	114	P323 E370 R443	P323-R325 PolarHBondContact O-N 3.49Å; R325-E370 IonicContact CZ-OE1 2.65Å; R325-E370 IonicContact NH1-OE1 3.62Å; R325-E370 PolarHBondContact NH1-OE1 3.2Å; R325-E370 IonicContact NH1-OE2 3.65Å; R325-E370 IonicContact NH2-OE1 3.63Å; R325-E370 PolarHBondContact NH2-OE1 3.01Å; R325-R443 PolarHBondContact O-NH1 3.05Å; R325-R443 VanDerWaalsContact O-NH1 3.07Å
326	W	88.1	Confident	81.4	Confident	14 Å²	14	74 Å²	74	5%	0.053	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.8	15.7	-175	61.5	85.7	0	0	0	113.8	L322 P323 Q324 Y339 A412 L416 I420 L440	L322-W326 HydrophobicContact CB-CH2 4.23Å; P323-W326 VanDerWaalsContact O-CZ3 3.22Å; P323-W326 WeakPolarHBondContact O-CZ3 3.47Å; Q324-W326 HydrophobicContact CB-CZ2 4.48Å; Q324-W326 HydrophobicContact CG-CZ2 4.27Å; Q324-W326 PolarHBondContact O-N 3.14Å; W326-Y339 VanDerWaalsContact O-CE2 3.25Å; W326-Y339 WeakPolarHBondContact O-CE2 3.01Å; W326-A412 HydrophobicContact CB-CB 3.82Å; W326-A412 HydrophobicContact CG-CB 4.15Å; W326-L416 HydrophobicContact CD2-CD1 3.81Å; W326-L416 HydrophobicContact CE3-CD1 4.43Å; W326-L416 HydrophobicContact CG-CD1 4.04Å; W326-L416 HydrophobicContact CZ2-CD1 3.99Å; W326-I420 HydrophobicContact CH2-CD1 4.11Å; W326-I420 HydrophobicContact CZ2-CD1 3.86Å; W326-I420 HydrophobicContact CZ2-CG1 4.36Å; W326-L440 HydrophobicContact CH2-CD2 4.3Å; W326-L440 HydrophobicContact CZ3-CD2 4.36Å
327	R	87.2	Confident	82.4	Confident	48 Å²	48	69 Å²	69	18%	0.181	34%	0.34	C	S	.	.			trans	-124.7	148.9	179.6	-61.6	-153	167.6	-65.9	-10.7	113.4	F329 R336 Y339 E413 L416 P417	R327-F329 WeakPolarHBondContact CB-O 3.37Å; R327-F329 PolarHBondContact O-N 2.68Å; R327-R336 WeakPolarHBondContact O-CD 3.43Å; R327-Y339 VanDerWaalsContact C-CG 3.48Å; R327-Y339 VanDerWaalsContact O-CB 3.25Å; R327-Y339 WeakPolarHBondContact O-CB 3.45Å; R327-E413 PolarHBondContact NH1-O 3.31Å; R327-L416 PolarHBondContact NH2-O 3.19Å; R327-P417 PolarHBondContact NH2-O 2.9Å
328	E	89.9	Confident	83.3	Confident	57 Å²	57	70.4 Å²	70.4	27%	0.266	35%	0.345	S	S	.	.	S	Bend	trans	-65.2	-24.1	174.6	-68.4	-168.9	165.5	0	0	113.9	R335 R336 Y339 F340 K343	E328-R335 CarbonylContact O-C 3.58Å; E328-R335 WeakPolarHBondContact O-CA 3.24Å; E328-R336 PolarHBondContact O-N 2.9Å; E328-Y339 HydrophobicContact CB-CD1 4.26Å; E328-Y339 HydrophobicContact CB-CE1 4.39Å; E328-Y339 HydrophobicContact CG-CD1 3.63Å; E328-Y339 HydrophobicContact CG-CE1 3.35Å; E328-F340 HydrophobicContact CB-CE1 4.45Å; E328-F340 HydrophobicContact CB-CE2 3.9Å; E328-F340 HydrophobicContact CB-CZ 3.6Å; E328-F340 VanDerWaalsContact CD-CE1 3.4Å; E328-F340 HydrophobicContact CG-CE1 3.77Å; E328-F340 HydrophobicContact CG-CE2 4.01Å; E328-F340 HydrophobicContact CG-CZ 3.4Å; E328-F340 VanDerWaalsContact CG-CZ 3.4Å; E328-F340 WeakPolarHBondContact OE1-CE1 3.34Å; E328-K343 IonicContact OE1-NZ 3.81Å; E328-K343 PolarHBondContact OE1-NZ 3.4Å
329	F	86.4	Confident	84.2	Confident	107 Å²	107	67 Å²	67	47%	0.469	32%	0.322	S	S	.	.	B	Isolated β-bridge	trans	-129.7	157.1	-178.1	-58.2	-84.7	0	0	0	111.8	R327 G333 R334 R335 R336	R327-F329 WeakPolarHBondContact CB-O 3.37Å; R327-F329 PolarHBondContact O-N 2.68Å; F329-G333 WeakPolarHBondContact CD1-O 3.46Å; F329-R334 CarbonylContact C-O 3.54Å; F329-R334 VanDerWaalsContact CA-O 3.26Å; F329-R334 WeakPolarHBondContact CA-O 3.16Å; F329-R335 HydrophobicContact CD1-CB 4.36Å; F329-R335 HydrophobicContact CE1-CB 4.25Å; F329-R336 PolarHBondContact O-NE 2.8Å
330	D	78.6	Confident	84.7	Confident	18 Å²	18	64.8 Å²	64.8	10%	0.096	31%	0.313	C	S	.	.			trans	-87.7	175.2	167.9	82	-1.8	0	0	0	112.4	R332 G333 R334 R336	D330-R332 PolarHBondContact O-N 3.33Å; D330-R332 VanDerWaalsContact O-N 3.08Å; D330-R332 VanDerWaalsContact OD1-C 3.32Å; D330-R332 VanDerWaalsContact OD1-CA 3.29Å; D330-R332 WeakPolarHBondContact OD1-CA 3.1Å; D330-R332 WeakPolarHBondContact OD1-CB 3.45Å; D330-R332 PolarHBondContact OD1-N 3.11Å; D330-G333 PolarHBondContact O-N 3.47Å; D330-G333 PolarHBondContact OD1-N 3.2Å; D330-G333 VanDerWaalsContact OD1-N 3.14Å; D330-R334 PolarHBondContact N-O 2.75Å; D330-R334 WeakPolarHBondContact OD1-CB 3.27Å; D330-R334 PolarHBondContact OD1-N 3.16Å; D330-R334 IonicContact OD1-NE 3.9Å; D330-R334 IonicContact OD2-CZ 3.26Å; D330-R334 IonicContact OD2-NE 3.81Å; D330-R334 PolarHBondContact OD2-NE 3.31Å; D330-R334 IonicContact OD2-NH2 2.66Å; D330-R334 PolarHBondContact OD2-NH2 2.85Å; D330-R336 HydrophobicContact CB-CG 4.48Å; D330-R336 VanDerWaalsContact CB-NH2 3.31Å
331	S	69.8	Low	85	Confident	68 Å²	68	67.3 Å²	67.3	48%	0.476	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-1.9	178.5	50	0	0	0	0	114.6
332	R	73.9	Confident	85.1	Confident	166 Å²	166	66.9 Å²	66.9	63%	0.626	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	7.8	170.2	-54.6	-177.4	-175.9	166	5.5	112	D330 R334	D330-R332 PolarHBondContact O-N 3.33Å; D330-R332 VanDerWaalsContact O-N 3.08Å; D330-R332 VanDerWaalsContact OD1-C 3.32Å; D330-R332 VanDerWaalsContact OD1-CA 3.29Å; D330-R332 WeakPolarHBondContact OD1-CA 3.1Å; D330-R332 WeakPolarHBondContact OD1-CB 3.45Å; D330-R332 PolarHBondContact OD1-N 3.11Å; R332-R334 VanDerWaalsContact C-N 3.3Å; R332-R334 HydrophobicContact CB-CG 4.35Å; R332-R334 PolarHBondContact O-N 2.95Å
333	G	80.2	Confident	85.4	Confident	52 Å²	52	68.3 Å²	68.3	54%	0.536	32%	0.323	S	S	.	.	S	Bend	trans	75.8	9.4	-177.3	0	0	0	0	0	114.9	F329 D330	F329-G333 WeakPolarHBondContact CD1-O 3.46Å; D330-G333 PolarHBondContact O-N 3.47Å; D330-G333 PolarHBondContact OD1-N 3.2Å; D330-G333 VanDerWaalsContact OD1-N 3.14Å
334	R	84.9	Confident	85.9	Confident	115 Å²	115	71.8 Å²	71.8	43%	0.434	33%	0.325	S	S	.	.			trans	-78.9	134.1	178.5	-56.8	-176.3	-64.6	179.3	3.5	110.2	D167 F329 D330 R332	D167-R334 IonicContact OD2-NH1 3.88Å; D167-R334 PolarHBondContact OD2-NH1 2.98Å; F329-R334 CarbonylContact C-O 3.54Å; F329-R334 VanDerWaalsContact CA-O 3.26Å; F329-R334 WeakPolarHBondContact CA-O 3.16Å; D330-R334 PolarHBondContact N-O 2.75Å; D330-R334 WeakPolarHBondContact OD1-CB 3.27Å; D330-R334 PolarHBondContact OD1-N 3.16Å; D330-R334 IonicContact OD1-NE 3.9Å; D330-R334 IonicContact OD2-CZ 3.26Å; D330-R334 IonicContact OD2-NE 3.81Å; D330-R334 PolarHBondContact OD2-NE 3.31Å; D330-R334 IonicContact OD2-NH2 2.66Å; D330-R334 PolarHBondContact OD2-NH2 2.85Å; R332-R334 VanDerWaalsContact C-N 3.3Å; R332-R334 HydrophobicContact CB-CG 4.35Å; R332-R334 PolarHBondContact O-N 2.95Å
335	R	88.5	Confident	86.5	Confident	147 Å²	147	74.4 Å²	74.4	56%	0.555	34%	0.336	S	S	*	.	B	Isolated β-bridge	trans	-61.4	137.6	178.1	-168.3	-172.4	-173.8	-148.2	11.3	111.2	E328 F329 D337 F340	E328-R335 CarbonylContact O-C 3.58Å; E328-R335 WeakPolarHBondContact O-CA 3.24Å; F329-R335 HydrophobicContact CD1-CB 4.36Å; F329-R335 HydrophobicContact CE1-CB 4.25Å; R335-D337 VanDerWaalsContact CD-OD1 3.31Å; R335-D337 WeakPolarHBondContact CD-OD1 3.48Å; R335-D337 IonicContact CZ-OD1 2.85Å; R335-D337 IonicContact NE-OD1 2.69Å; R335-D337 PolarHBondContact NE-OD1 3.31Å; R335-D337 IonicContact NH1-OD1 3.93Å; R335-D337 PolarHBondContact NH1-OD1 2.84Å; R335-F340 HydrophobicContact CG-CD2 4.3Å; R335-F340 HydrophobicContact CG-CE2 3.67Å; R335-F340 VanDerWaalsContact NE-CE2 3.31Å
336	R	87.6	Confident	87.2	Confident	77 Å²	77	69 Å²	69	29%	0.291	32%	0.315	S	S	.	.			trans	-102.3	89.9	174.4	-63.4	-171.6	-176.1	-85.1	11.5	111	R327 E328 F329 D330 S338 Y339 F340	R327-R336 WeakPolarHBondContact O-CD 3.43Å; E328-R336 PolarHBondContact O-N 2.9Å; F329-R336 PolarHBondContact O-NE 2.8Å; D330-R336 HydrophobicContact CB-CG 4.48Å; D330-R336 VanDerWaalsContact CB-NH2 3.31Å; R336-S338 PolarHBondContact O-N 2.93Å; R336-Y339 WeakPolarHBondContact O-CB 3.12Å; R336-Y339 PolarHBondContact O-N 2.75Å; R336-F340 WeakPolarHBondContact O-CD2 3.23Å; R336-F340 PolarHBondContact O-N 2.91Å
337	D	87.6	Confident	87.6	Confident	97 Å²	97	70.5 Å²	70.5	52%	0.519	33%	0.325	S	S	.	.	H	α-helix	trans	-61.5	-30.4	-179.6	-69.5	-35.1	0	0	0	113.6	R335 Y339 F340 Y341	R335-D337 VanDerWaalsContact CD-OD1 3.31Å; R335-D337 WeakPolarHBondContact CD-OD1 3.48Å; R335-D337 IonicContact CZ-OD1 2.85Å; R335-D337 IonicContact NE-OD1 2.69Å; R335-D337 PolarHBondContact NE-OD1 3.31Å; R335-D337 IonicContact NH1-OD1 3.93Å; R335-D337 PolarHBondContact NH1-OD1 2.84Å; D337-Y339 VanDerWaalsContact C-N 3.3Å; D337-Y339 PolarHBondContact O-N 2.95Å; D337-F340 PolarHBondContact O-N 3.47Å; D337-Y341 PolarHBondContact O-N 3.47Å
338	S	86	Confident	88	Confident	57 Å²	57	69.9 Å²	69.9	40%	0.399	33%	0.333	S	S	.	.	H	α-helix	trans	-61	-36.3	171.2	56.2	0	0	0	0	112.7	R336 Y341 F342	R336-S338 PolarHBondContact O-N 2.93Å; S338-Y341 WeakPolarHBondContact O-CB 3.34Å; S338-Y341 PolarHBondContact O-N 3.24Å; S338-F342 WeakPolarHBondContact O-CD2 3.48Å; S338-F342 WeakPolarHBondContact O-CE2 3.27Å; S338-F342 VanDerWaalsContact O-CG 3.27Å; S338-F342 WeakPolarHBondContact O-CG 3.23Å; S338-F342 PolarHBondContact O-N 2.84Å
339	Y	89.8	Confident	88.3	Confident	3 Å²	3	67.3 Å²	67.3	1%	0.012	32%	0.321	C	S	.	.	H	α-helix	trans	-63	-46	174.7	170.5	-92.9	0	0	0	111.7	W326 R327 E328 R336 D337 Y341 F342 K343 E413	W326-Y339 VanDerWaalsContact O-CE2 3.25Å; W326-Y339 WeakPolarHBondContact O-CE2 3.01Å; R327-Y339 VanDerWaalsContact C-CG 3.48Å; R327-Y339 VanDerWaalsContact O-CB 3.25Å; R327-Y339 WeakPolarHBondContact O-CB 3.45Å; E328-Y339 HydrophobicContact CB-CD1 4.26Å; E328-Y339 HydrophobicContact CB-CE1 4.39Å; E328-Y339 HydrophobicContact CG-CD1 3.63Å; E328-Y339 HydrophobicContact CG-CE1 3.35Å; R336-Y339 WeakPolarHBondContact O-CB 3.12Å; R336-Y339 PolarHBondContact O-N 2.75Å; D337-Y339 VanDerWaalsContact C-N 3.3Å; D337-Y339 PolarHBondContact O-N 2.95Å; Y339-Y341 VanDerWaalsContact C-N 3.28Å; Y339-Y341 PolarHBondContact O-N 3.24Å; Y339-F342 PolarHBondContact O-N 3.04Å; Y339-K343 HydrophobicContact CE1-CB 4.26Å; Y339-K343 HydrophobicContact CE1-CD 3.66Å; Y339-K343 HydrophobicContact CE1-CG 4.43Å; Y339-K343 WeakPolarHBondContact O-CB 3.26Å; Y339-K343 PolarHBondContact O-N 3.29Å; Y339-K343 WeakPolarHBondContact OH-CD 3.03Å; Y339-K343 WeakPolarHBondContact OH-CE 3.37Å; Y339-K343 PolarHBondContact OH-NZ 2.7Å; Y339-E413 PolarHBondContact OH-OE1 2.95Å; Y339-E413 PolarHBondContact OH-OE2 2.8Å
340	F	91	Very high	88.8	Confident	54 Å²	54	64 Å²	64	24%	0.237	31%	0.307	C	S	.	.	H	α-helix	trans	-62.8	-35.8	176.2	-70	-82.5	0	0	0	112.1	E328 R335 R336 D337 R344	E328-F340 HydrophobicContact CB-CE1 4.45Å; E328-F340 HydrophobicContact CB-CE2 3.9Å; E328-F340 HydrophobicContact CB-CZ 3.6Å; E328-F340 VanDerWaalsContact CD-CE1 3.4Å; E328-F340 HydrophobicContact CG-CE1 3.77Å; E328-F340 HydrophobicContact CG-CE2 4.01Å; E328-F340 HydrophobicContact CG-CZ 3.4Å; E328-F340 VanDerWaalsContact CG-CZ 3.4Å; E328-F340 WeakPolarHBondContact OE1-CE1 3.34Å; R335-F340 HydrophobicContact CG-CD2 4.3Å; R335-F340 HydrophobicContact CG-CE2 3.67Å; R335-F340 VanDerWaalsContact NE-CE2 3.31Å; R336-F340 WeakPolarHBondContact O-CD2 3.23Å; R336-F340 PolarHBondContact O-N 2.91Å; D337-F340 PolarHBondContact O-N 3.47Å; F340-R344 WeakPolarHBondContact O-CB 3.4Å; F340-R344 PolarHBondContact O-N 3.13Å
341	Y	91.1	Very high	89.6	Confident	84 Å²	84	71.6 Å²	71.6	33%	0.329	34%	0.34	S	S	.	.	H	α-helix	trans	-60	-49.3	171.8	175.5	-94	0	0	0	111.7	D337 S338 Y339 R344 K345 N367	D337-Y341 PolarHBondContact O-N 3.47Å; S338-Y341 WeakPolarHBondContact O-CB 3.34Å; S338-Y341 PolarHBondContact O-N 3.24Å; Y339-Y341 VanDerWaalsContact C-N 3.28Å; Y339-Y341 PolarHBondContact O-N 3.24Å; Y341-R344 PolarHBondContact O-N 3.33Å; Y341-K345 HydrophobicContact CD1-CG 4.48Å; Y341-K345 HydrophobicContact CE1-CG 4.18Å; Y341-K345 WeakPolarHBondContact O-CG 3.34Å; Y341-K345 PolarHBondContact O-N 3.34Å; Y341-K345 VanDerWaalsContact OH-CE 3.24Å; Y341-K345 WeakPolarHBondContact OH-CE 3.3Å; Y341-K345 PolarHBondContact OH-NZ 2.66Å; Y341-N367 PolarHBondContact OH-OD1 3.11Å
342	F	91.6	Very high	90.7	Very high	11 Å²	11	70.1 Å²	70.1	5%	0.048	33%	0.329	C	S	.	.	H	α-helix	trans	-65.3	-43.5	177.4	-58.7	-43.8	0	0	0	113.1	S338 Y339 R344 K345 L346 M368 E370	S338-F342 WeakPolarHBondContact O-CD2 3.48Å; S338-F342 WeakPolarHBondContact O-CE2 3.27Å; S338-F342 VanDerWaalsContact O-CG 3.27Å; S338-F342 WeakPolarHBondContact O-CG 3.23Å; S338-F342 PolarHBondContact O-N 2.84Å; Y339-F342 PolarHBondContact O-N 3.04Å; F342-R344 VanDerWaalsContact C-N 3.29Å; F342-R344 PolarHBondContact O-N 2.81Å; F342-K345 PolarHBondContact O-N 3.04Å; F342-L346 PolarHBondContact O-N 2.76Å; F342-M368 HydrophobicContact CB-CE 3.85Å; F342-M368 HydrophobicContact CB-SD 3.68Å; F342-M368 HydrophobicContact CD1-CE 4.28Å; F342-M368 HydrophobicContact CD1-SD 3.6Å; F342-M368 VanDerWaalsContact CD1-SD 3.6Å; F342-M368 HydrophobicContact CG-CE 4.2Å; F342-M368 HydrophobicContact CG-SD 3.97Å; F342-E370 HydrophobicContact CE1-CG 3.89Å; F342-E370 HydrophobicContact CZ-CG 3.51Å; F342-E370 WeakPolarHBondContact CZ-OE2 3.44Å
343	K	93.8	Very high	91.7	Very high	41 Å²	41	63.7 Å²	63.7	18%	0.178	31%	0.305	C	S	.	.	H	α-helix	trans	-53.3	-47.8	174.6	-166.8	178.5	-162.2	155.6	0	110.3	E328 Y339 K345 L346 D347 E413	E328-K343 IonicContact OE1-NZ 3.81Å; E328-K343 PolarHBondContact OE1-NZ 3.4Å; Y339-K343 HydrophobicContact CE1-CB 4.26Å; Y339-K343 HydrophobicContact CE1-CD 3.66Å; Y339-K343 HydrophobicContact CE1-CG 4.43Å; Y339-K343 WeakPolarHBondContact O-CB 3.26Å; Y339-K343 PolarHBondContact O-N 3.29Å; Y339-K343 WeakPolarHBondContact OH-CD 3.03Å; Y339-K343 WeakPolarHBondContact OH-CE 3.37Å; Y339-K343 PolarHBondContact OH-NZ 2.7Å; K343-K345 PolarHBondContact O-N 2.95Å; K343-L346 PolarHBondContact O-N 2.88Å; K343-D347 WeakPolarHBondContact O-CB 3.28Å; K343-D347 PolarHBondContact O-N 3.18Å; K343-E413 WeakPolarHBondContact CE-OE2 3.37Å; K343-E413 IonicContact NZ-OE1 2.68Å; K343-E413 PolarHBondContact NZ-OE1 2.93Å; K343-E413 IonicContact NZ-OE2 2.72Å; K343-E413 PolarHBondContact NZ-OE2 2.78Å
344	R	94.9	Very high	92.1	Very high	167 Å²	167	66.2 Å²	66.2	63%	0.63	30%	0.301	S	S	*	.	H	α-helix	trans	-64.8	-34.5	175.9	-174	177.6	64.4	152.2	-1.1	113.7	F340 Y341 F342 G348	F340-R344 WeakPolarHBondContact O-CB 3.4Å; F340-R344 PolarHBondContact O-N 3.13Å; Y341-R344 PolarHBondContact O-N 3.33Å; F342-R344 VanDerWaalsContact C-N 3.29Å; F342-R344 PolarHBondContact O-N 2.81Å; R344-G348 PolarHBondContact O-N 3.38Å
345	K	95.1	Very high	91.9	Very high	64 Å²	64	66.3 Å²	66.3	28%	0.278	32%	0.315	S	S	.	.	H	α-helix	trans	-71	-43.5	176.9	-68.6	-74.6	177.4	166.1	0	111.6	Y341 F342 K343 G348 Y349 L364 N367 M368	Y341-K345 HydrophobicContact CD1-CG 4.48Å; Y341-K345 HydrophobicContact CE1-CG 4.18Å; Y341-K345 WeakPolarHBondContact O-CG 3.34Å; Y341-K345 PolarHBondContact O-N 3.34Å; Y341-K345 VanDerWaalsContact OH-CE 3.24Å; Y341-K345 WeakPolarHBondContact OH-CE 3.3Å; Y341-K345 PolarHBondContact OH-NZ 2.66Å; F342-K345 PolarHBondContact O-N 3.04Å; K343-K345 PolarHBondContact O-N 2.95Å; K345-G348 PolarHBondContact O-N 3.45Å; K345-Y349 WeakPolarHBondContact O-CB 3.46Å; K345-Y349 PolarHBondContact O-N 2.74Å; K345-L364 HydrophobicContact CB-CD1 3.95Å; K345-N367 HydrophobicContact CD-CB 3.99Å; K345-N367 WeakPolarHBondContact CE-OD1 3.21Å; K345-N367 HydrophobicContact CG-CB 4.39Å; K345-N367 PolarHBondContact NZ-OD1 2.87Å; K345-M368 HydrophobicContact CB-SD 4.16Å
346	L	95.7	Very high	91	Very high	1 Å²	1	63 Å²	63	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-59.3	-48.8	172	-70	167.4	0	0	0	111.2	F342 K343 G348 Y349 L350 L364 M368 A406 F446	F342-L346 PolarHBondContact O-N 2.76Å; K343-L346 PolarHBondContact O-N 2.88Å; L346-G348 VanDerWaalsContact C-N 3.34Å; L346-G348 PolarHBondContact O-N 3.11Å; L346-Y349 PolarHBondContact O-N 3.07Å; L346-L350 WeakPolarHBondContact O-CB 3.48Å; L346-L350 VanDerWaalsContact O-CG 3.32Å; L346-L350 WeakPolarHBondContact O-CG 3.39Å; L346-L350 PolarHBondContact O-N 3.06Å; L346-L364 HydrophobicContact CD2-CD1 4.35Å; L346-L364 HydrophobicContact CD2-CD2 4.12Å; L346-M368 HydrophobicContact CD1-CE 4.05Å; L346-M368 HydrophobicContact CD2-CE 4.21Å; L346-M368 HydrophobicContact CG-CE 4.02Å; L346-M368 HydrophobicContact CG-SD 4.28Å; L346-A406 HydrophobicContact CD2-CB 4Å; L346-F446 HydrophobicContact CD2-CE2 4.19Å; L346-F446 HydrophobicContact CD2-CZ 4.12Å
347	D	96	Very high	90.8	Very high	47 Å²	47	59.9 Å²	59.9	25%	0.251	30%	0.303	S	S	.	.	H	α-helix	trans	-67	-32	178.8	-78.6	-25.1	0	0	0	113.6	K343 K351 K410	K343-D347 WeakPolarHBondContact O-CB 3.28Å; K343-D347 PolarHBondContact O-N 3.18Å; D347-K351 WeakPolarHBondContact O-CD 3.32Å; D347-K351 VanDerWaalsContact O-CG 3.27Å; D347-K351 WeakPolarHBondContact O-CG 3.36Å; D347-K351 PolarHBondContact O-N 2.75Å; D347-K410 VanDerWaalsContact CG-NZ 3.35Å; D347-K410 WeakPolarHBondContact OD1-CE 3.14Å; D347-K410 IonicContact OD1-NZ 3.49Å; D347-K410 PolarHBondContact OD1-NZ 2.8Å; D347-K410 IonicContact OD2-NZ 3.97Å; D347-K410 PolarHBondContact OD2-NZ 2.84Å
348	G	95.6	Very high	91.1	Very high	34 Å²	34	56 Å²	56	35%	0.351	28%	0.281	S	S	.	.	H	α-helix	trans	-64.9	-51.1	171.9	0	0	0	0	0	111.4	R344 K345 L346 L350 K351 C352	R344-G348 PolarHBondContact O-N 3.38Å; K345-G348 PolarHBondContact O-N 3.45Å; L346-G348 VanDerWaalsContact C-N 3.34Å; L346-G348 PolarHBondContact O-N 3.11Å; G348-L350 PolarHBondContact O-N 2.9Å; G348-K351 PolarHBondContact O-N 3.26Å; G348-C352 PolarHBondContact O-SG 3.37Å; G348-C352 VanDerWaalsContact O-SG 3.36Å
349	Y	96.8	Very high	91.4	Very high	4 Å²	4	60.6 Å²	60.6	2%	0.016	29%	0.294	C	S	.	.	H	α-helix	trans	-58	-48.6	177.4	172.7	-105.8	0	0	0	112.4	K345 L346 K351 C352 Y353 M360 F361 L364 F402 A403 A406	K345-Y349 WeakPolarHBondContact O-CB 3.46Å; K345-Y349 PolarHBondContact O-N 2.74Å; L346-Y349 PolarHBondContact O-N 3.07Å; Y349-K351 PolarHBondContact O-N 2.93Å; Y349-K351 VanDerWaalsContact O-N 3.11Å; Y349-C352 PolarHBondContact O-N 2.83Å; Y349-Y353 WeakPolarHBondContact O-CB 3.5Å; Y349-Y353 PolarHBondContact O-N 3.21Å; Y349-M360 HydrophobicContact CD2-CB 3.89Å; Y349-M360 HydrophobicContact CE2-CB 3.87Å; Y349-F361 HydrophobicContact CE1-CD2 4.07Å; Y349-F361 HydrophobicContact CE2-CB 3.87Å; Y349-F361 HydrophobicContact CE2-CD2 4.19Å; Y349-F361 AromaticContact CZ-CD2 3.7Å; Y349-L364 HydrophobicContact CD1-CD2 3.6Å; Y349-L364 HydrophobicContact CD2-CB 4.33Å; Y349-L364 HydrophobicContact CD2-CD2 4.3Å; Y349-L364 HydrophobicContact CE1-CD2 4.18Å; Y349-L364 HydrophobicContact CG-CB 4.38Å; Y349-L364 HydrophobicContact CG-CD2 3.68Å; Y349-F402 VanDerWaalsContact OH-CB 3.24Å; Y349-F402 WeakPolarHBondContact OH-CB 3.26Å; Y349-A403 HydrophobicContact CE1-CB 4.44Å; Y349-A406 HydrophobicContact CD1-CB 3.77Å; Y349-A406 HydrophobicContact CE1-CB 3.85Å
350	L	96.4	Very high	91.5	Very high	36 Å²	36	63.3 Å²	63.3	19%	0.188	31%	0.308	C	S	.	.	H	α-helix	trans	-63.6	-18.5	-178	-71.8	174.1	0	0	0	114	L346 G348 Y353 A403 A406 R407	L346-L350 WeakPolarHBondContact O-CB 3.48Å; L346-L350 VanDerWaalsContact O-CG 3.32Å; L346-L350 WeakPolarHBondContact O-CG 3.39Å; L346-L350 PolarHBondContact O-N 3.06Å; G348-L350 PolarHBondContact O-N 2.9Å; L350-Y353 WeakPolarHBondContact O-CD1 3.27Å; L350-A403 HydrophobicContact CD2-CB 4.03Å; L350-A406 HydrophobicContact CD2-CB 3.93Å; L350-A406 HydrophobicContact CG-CB 4.25Å; L350-R407 HydrophobicContact CD1-CG 4Å; L350-R407 HydrophobicContact CD2-CG 3.75Å
351	K	94.9	Very high	91.7	Very high	178 Å²	178	60.8 Å²	60.8	77%	0.774	30%	0.297	S	S	*	.	H	α-helix	trans	-83	-20.3	174.3	-72.8	170.6	-176.2	-179.1	0	114.3	D347 G348 Y349	D347-K351 WeakPolarHBondContact O-CD 3.32Å; D347-K351 VanDerWaalsContact O-CG 3.27Å; D347-K351 WeakPolarHBondContact O-CG 3.36Å; D347-K351 PolarHBondContact O-N 2.75Å; G348-K351 PolarHBondContact O-N 3.26Å; Y349-K351 PolarHBondContact O-N 2.93Å; Y349-K351 VanDerWaalsContact O-N 3.11Å
352	C	93.3	Very high	91.9	Very high	38 Å²	38	57.7 Å²	57.7	26%	0.257	29%	0.287	S	S	.	.	H	α-helix	trans	-141	7.9	-170.7	68.2	0	0	0	0	115.9	G348 Y349 K354 T355 T356	G348-C352 PolarHBondContact O-SG 3.37Å; G348-C352 VanDerWaalsContact O-SG 3.36Å; Y349-C352 PolarHBondContact O-N 2.83Å; C352-K354 PolarHBondContact O-N 3.34Å; C352-K354 VanDerWaalsContact O-N 3.13Å; C352-T355 PolarHBondContact O-N 2.85Å; C352-T355 PolarHBondContact O-OG1 3.41Å; C352-T356 PolarHBondContact O-OG1 2.92Å; C352-T356 VanDerWaalsContact O-OG1 3.09Å
353	Y	94.4	Very high	91.9	Very high	31 Å²	31	58.3 Å²	58.3	12%	0.122	30%	0.296	C	S	.	.	H	α-helix	trans	-51.7	-37.8	179.9	70.6	-78	0	0	0	113.7	Y349 L350 G357 L399 E400 A403 R407	Y349-Y353 WeakPolarHBondContact O-CB 3.5Å; Y349-Y353 PolarHBondContact O-N 3.21Å; L350-Y353 WeakPolarHBondContact O-CD1 3.27Å; Y353-G357 PolarHBondContact O-N 2.88Å; Y353-G357 VanDerWaalsContact O-N 3.16Å; Y353-L399 HydrophobicContact CD2-CB 4.18Å; Y353-L399 WeakPolarHBondContact CD2-O 3.21Å; Y353-E400 PolarHBondContact OH-OE2 3.3Å; Y353-A403 HydrophobicContact CD1-CB 4.16Å; Y353-A403 HydrophobicContact CD2-CB 3.61Å; Y353-A403 HydrophobicContact CE1-CB 4.07Å; Y353-A403 HydrophobicContact CE2-CB 3.48Å; Y353-A403 VanDerWaalsContact CE2-CB 3.48Å; Y353-A403 HydrophobicContact CG-CB 3.94Å; Y353-R407 PolarHBondContact OH-NH2 2.86Å
354	K	89.4	Confident	92	Very high	105 Å²	105	56.7 Å²	56.7	46%	0.457	29%	0.289	S	S	.	.	H	α-helix	trans	-69.3	-36.9	176.3	-68.7	-157.6	168.9	-154.9	0	114.6	C352 T356 E396	C352-K354 PolarHBondContact O-N 3.34Å; C352-K354 VanDerWaalsContact O-N 3.13Å; K354-T356 PolarHBondContact O-N 3.44Å; K354-E396 IonicContact NZ-OE2 2.7Å; K354-E396 PolarHBondContact NZ-OE2 3.39Å
355	T	81.3	Confident	92	Very high	116 Å²	116	48.8 Å²	48.8	71%	0.712	26%	0.259	S	S	*	.	H	α-helix	trans	-78.4	-22.6	-170.5	54.9	0	0	0	0	113.8	C352	C352-T355 PolarHBondContact O-N 2.85Å; C352-T355 PolarHBondContact O-OG1 3.41Å
356	T	68.8	Low	91.8	Very high	78 Å²	78	47.5 Å²	47.5	48%	0.479	26%	0.255	S	S	.	.	H	α-helix	trans	-130.5	-2.6	-169.3	24.9	0	0	0	0	113.5	C352 K354 M360	C352-T356 PolarHBondContact O-OG1 2.92Å; C352-T356 VanDerWaalsContact O-OG1 3.09Å; K354-T356 PolarHBondContact O-N 3.44Å; T356-M360 VanDerWaalsContact CB-CG 3.48Å; T356-M360 WeakPolarHBondContact OG1-CG 3.43Å
357	G	84.3	Confident	91.6	Very high	12 Å²	12	50.2 Å²	50.2	12%	0.124	27%	0.269	C	S	.	.			trans	68.9	-156.6	161.2	0	0	0	0	0	116.1	Y353 F359 M360 L399	Y353-G357 PolarHBondContact O-N 2.88Å; Y353-G357 VanDerWaalsContact O-N 3.16Å; G357-F359 VanDerWaalsContact C-N 3.3Å; G357-F359 PolarHBondContact O-N 3.25Å; G357-F359 VanDerWaalsContact O-N 3.12Å; G357-M360 WeakPolarHBondContact O-CB 3.34Å; G357-M360 PolarHBondContact O-N 2.71Å; G357-L399 VanDerWaalsContact C-CD2 3.48Å
358	Y	92.6	Very high	91.4	Very high	14 Å²	14	48.2 Å²	48.2	6%	0.055	26%	0.258	C	S	.	.	H	α-helix	trans	-44.3	-48.3	-170.2	175	-104.8	0	0	0	114.5	M360 F361 V362 L382 E383 Y386 F402	Y358-M360 PolarHBondContact O-N 2.83Å; Y358-M360 VanDerWaalsContact O-N 3.15Å; Y358-F361 PolarHBondContact O-N 2.65Å; Y358-V362 HydrophobicContact CD1-CG2 4.03Å; Y358-V362 HydrophobicContact CE1-CG2 3.42Å; Y358-V362 VanDerWaalsContact CE1-CG2 3.42Å; Y358-V362 HydrophobicContact CE2-CG2 4.1Å; Y358-V362 VanDerWaalsContact CZ-CG2 3.43Å; Y358-V362 PolarHBondContact O-N 3.15Å; Y358-L382 HydrophobicContact CE2-CD2 4.43Å; Y358-L382 HydrophobicContact CE2-CG 4.02Å; Y358-E383 HydrophobicContact CE1-CB 4.47Å; Y358-E383 HydrophobicContact CE1-CG 4.34Å; Y358-E383 VanDerWaalsContact OH-CA 3.25Å; Y358-E383 WeakPolarHBondContact OH-CA 3.35Å; Y358-E383 WeakPolarHBondContact OH-CB 3.11Å; Y358-E383 PolarHBondContact OH-N 2.82Å; Y358-E383 VanDerWaalsContact OH-N 3.11Å; Y358-Y386 VanDerWaalsContact CD2-CB 3.48Å; Y358-Y386 AromaticContact CD2-CD1 3.63Å; Y358-Y386 HydrophobicContact CD2-CD1 3.63Å; Y358-Y386 AromaticContact CD2-CD2 3.75Å; Y358-Y386 HydrophobicContact CD2-CD2 3.75Å; Y358-Y386 HydrophobicContact CD2-CE1 4.31Å; Y358-Y386 HydrophobicContact CD2-CE2 4.41Å; Y358-Y386 AromaticContact CD2-CG 3.3Å; Y358-Y386 HydrophobicContact CD2-CG 3.3Å; Y358-Y386 HydrophobicContact CE2-CD1 4.34Å; Y358-Y386 AromaticContact CE2-CG 3.95Å; Y358-Y386 HydrophobicContact CE2-CG 3.95Å; Y358-Y386 AromaticContact CG-CD1 3.85Å; Y358-Y386 HydrophobicContact CG-CD1 3.85Å; Y358-Y386 HydrophobicContact CG-CD2 4.4Å; Y358-Y386 HydrophobicContact CG-CE1 4.17Å; Y358-Y386 AromaticContact CG-CG 3.98Å; Y358-Y386 HydrophobicContact CG-CG 3.98Å; Y358-F402 HydrophobicContact CD2-CE2 4.05Å
359	F	91.8	Very high	91.2	Very high	154 Å²	154	46.6 Å²	46.6	68%	0.675	24%	0.241	S	C	*	.	H	α-helix	trans	-64.4	-21	-175.2	-61	-70	0	0	0	113.6	G357 G363	G357-F359 VanDerWaalsContact C-N 3.3Å; G357-F359 PolarHBondContact O-N 3.25Å; G357-F359 VanDerWaalsContact O-N 3.12Å; F359-G363 PolarHBondContact O-N 2.94Å
360	M	92.7	Very high	90.4	Very high	61 Å²	61	49.8 Å²	49.8	30%	0.3	26%	0.256	S	S	.	.	H	α-helix	trans	-68.1	-33.9	171.6	-72.4	-59.8	-53.1	0	0	112.9	Y349 T356 G357 Y358 L364	Y349-M360 HydrophobicContact CD2-CB 3.89Å; Y349-M360 HydrophobicContact CE2-CB 3.87Å; T356-M360 VanDerWaalsContact CB-CG 3.48Å; T356-M360 WeakPolarHBondContact OG1-CG 3.43Å; G357-M360 WeakPolarHBondContact O-CB 3.34Å; G357-M360 PolarHBondContact O-N 2.71Å; Y358-M360 PolarHBondContact O-N 2.83Å; Y358-M360 VanDerWaalsContact O-N 3.15Å; M360-L364 WeakPolarHBondContact O-CB 3.29Å; M360-L364 PolarHBondContact O-N 3.49Å
361	F	95.6	Very high	89.2	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-77.3	-40.7	178.3	-171.7	-123.2	0	0	0	111	Y349 Y358 G363 L364 L365 L382 F402 F445 F446 F474	Y349-F361 HydrophobicContact CE1-CD2 4.07Å; Y349-F361 HydrophobicContact CE2-CB 3.87Å; Y349-F361 HydrophobicContact CE2-CD2 4.19Å; Y349-F361 AromaticContact CZ-CD2 3.7Å; Y358-F361 PolarHBondContact O-N 2.65Å; F361-G363 VanDerWaalsContact C-N 3.35Å; F361-G363 PolarHBondContact O-N 3.32Å; F361-L364 HydrophobicContact CD2-CD2 4.23Å; F361-L364 HydrophobicContact CE2-CD2 4.42Å; F361-L364 WeakPolarHBondContact O-CB 3.43Å; F361-L364 PolarHBondContact O-N 2.98Å; F361-L365 HydrophobicContact CD1-CD1 4.16Å; F361-L365 HydrophobicContact CE1-CD1 3.99Å; F361-L365 HydrophobicContact CZ-CD1 4.39Å; F361-L365 HydrophobicContact CZ-CD2 4.48Å; F361-L365 WeakPolarHBondContact O-CG 3.49Å; F361-L365 PolarHBondContact O-N 3.49Å; F361-L382 HydrophobicContact CD1-CD1 4.46Å; F361-L382 HydrophobicContact CD1-CD2 4.03Å; F361-L382 HydrophobicContact CE1-CD1 4.24Å; F361-L382 HydrophobicContact CE1-CD2 4.21Å; F361-F402 HydrophobicContact CB-CB 4.35Å; F361-F402 HydrophobicContact CB-CD2 3.86Å; F361-F402 HydrophobicContact CB-CG 4.37Å; F361-F402 HydrophobicContact CD1-CB 3.86Å; F361-F402 AromaticContact CD1-CD1 3.92Å; F361-F402 HydrophobicContact CD1-CD1 3.92Å; F361-F402 AromaticContact CD1-CD2 3.57Å; F361-F402 HydrophobicContact CD1-CD2 3.57Å; F361-F402 HydrophobicContact CD1-CE1 4.34Å; F361-F402 HydrophobicContact CD1-CE2 4.03Å; F361-F402 AromaticContact CD1-CG 3.51Å; F361-F402 HydrophobicContact CD1-CG 3.51Å; F361-F402 HydrophobicContact CD1-CZ 4.39Å; F361-F402 HydrophobicContact CD2-CB 3.86Å; F361-F402 HydrophobicContact CD2-CG 4.43Å; F361-F402 HydrophobicContact CE1-CB 4.07Å; F361-F402 AromaticContact CE1-CD1 3.83Å; F361-F402 HydrophobicContact CE1-CD1 3.83Å; F361-F402 HydrophobicContact CE1-CD2 4.32Å; F361-F402 HydrophobicContact CE1-CE1 4.33Å; F361-F402 AromaticContact CE1-CG 3.82Å; F361-F402 HydrophobicContact CE1-CG 3.82Å; F361-F402 HydrophobicContact CE2-CB 4.06Å; F361-F402 HydrophobicContact CG-CB 3.76Å; F361-F402 AromaticContact CG-CD2 3.83Å; F361-F402 HydrophobicContact CG-CD2 3.83Å; F361-F402 AromaticContact CG-CG 3.86Å; F361-F402 HydrophobicContact CG-CG 3.86Å; F361-F402 HydrophobicContact CZ-CB 4.17Å; F361-F402 HydrophobicContact CZ-CD1 4.49Å; F361-F402 HydrophobicContact CZ-CG 4.4Å; F361-F445 HydrophobicContact CZ-CD1 4.19Å; F361-F446 HydrophobicContact CE2-CE1 4.41Å; F361-F446 HydrophobicContact CE2-CZ 4.24Å; F361-F474 HydrophobicContact CE1-CZ 4.34Å
362	V	94.8	Very high	87.6	Confident	20 Å²	20	46.4 Å²	46.4	12%	0.121	25%	0.245	C	C	.	.	H	α-helix	trans	-57.1	-49.1	169.4	178.8	0	0	0	0	110.7	Y358 L364 L365 H366 L379 L382	Y358-V362 HydrophobicContact CD1-CG2 4.03Å; Y358-V362 HydrophobicContact CE1-CG2 3.42Å; Y358-V362 VanDerWaalsContact CE1-CG2 3.42Å; Y358-V362 HydrophobicContact CE2-CG2 4.1Å; Y358-V362 VanDerWaalsContact CZ-CG2 3.43Å; Y358-V362 PolarHBondContact O-N 3.15Å; V362-L364 PolarHBondContact O-N 3.39Å; V362-L365 WeakPolarHBondContact O-CB 3.46Å; V362-L365 PolarHBondContact O-N 2.94Å; V362-H366 VanDerWaalsContact CG1-CE1 3.41Å; V362-H366 WeakPolarHBondContact CG1-CE1 3.22Å; V362-H366 PolarHBondContact O-N 3.29Å; V362-L379 HydrophobicContact CG1-CD1 4.12Å; V362-L379 HydrophobicContact CG2-CD1 4.4Å; V362-L382 HydrophobicContact CG2-CD2 4.36Å
363	G	92.6	Very high	86.2	Confident	24 Å²	24	50.2 Å²	50.2	25%	0.247	27%	0.269	C	S	.	.	H	α-helix	trans	-60.7	-40.4	176.1	0	0	0	0	0	112.8	F359 F361 N367	F359-G363 PolarHBondContact O-N 2.94Å; F361-G363 VanDerWaalsContact C-N 3.35Å; F361-G363 PolarHBondContact O-N 3.32Å; G363-N367 WeakPolarHBondContact O-CB 3.04Å; G363-N367 PolarHBondContact O-N 3.34Å; G363-N367 PolarHBondContact O-ND2 3.22Å
364	L	94.5	Very high	84.7	Confident	7 Å²	7	55.7 Å²	55.7	4%	0.037	30%	0.3	C	S	.	.	H	α-helix	trans	-59.3	-48.9	172.6	174.6	65.9	0	0	0	111.1	K345 L346 Y349 M360 F361 V362 N367 M368 A406 F446	K345-L364 HydrophobicContact CB-CD1 3.95Å; L346-L364 HydrophobicContact CD2-CD1 4.35Å; L346-L364 HydrophobicContact CD2-CD2 4.12Å; Y349-L364 HydrophobicContact CD1-CD2 3.6Å; Y349-L364 HydrophobicContact CD2-CB 4.33Å; Y349-L364 HydrophobicContact CD2-CD2 4.3Å; Y349-L364 HydrophobicContact CE1-CD2 4.18Å; Y349-L364 HydrophobicContact CG-CB 4.38Å; Y349-L364 HydrophobicContact CG-CD2 3.68Å; M360-L364 WeakPolarHBondContact O-CB 3.29Å; M360-L364 PolarHBondContact O-N 3.49Å; F361-L364 HydrophobicContact CD2-CD2 4.23Å; F361-L364 HydrophobicContact CE2-CD2 4.42Å; F361-L364 WeakPolarHBondContact O-CB 3.43Å; F361-L364 PolarHBondContact O-N 2.98Å; V362-L364 PolarHBondContact O-N 3.39Å; L364-N367 PolarHBondContact O-N 3.21Å; L364-M368 HydrophobicContact CD1-CG 3.66Å; L364-M368 HydrophobicContact CD1-SD 4.14Å; L364-M368 HydrophobicContact CG-CG 4.11Å; L364-M368 WeakPolarHBondContact O-CB 3.29Å; L364-M368 WeakPolarHBondContact O-CG 3.2Å; L364-M368 PolarHBondContact O-N 3.35Å; L364-A406 HydrophobicContact CD2-CB 4.28Å; L364-F446 HydrophobicContact CD2-CE1 3.65Å; L364-F446 HydrophobicContact CD2-CZ 3.95Å; L364-F446 HydrophobicContact CG-CE1 3.85Å
365	L	95.1	Very high	83.7	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-57.3	-52.3	179.2	-69.1	165.8	0	0	0	111.2	F361 V362 N367 M368 W369 L379 L382 F445 F446 L459	F361-L365 HydrophobicContact CD1-CD1 4.16Å; F361-L365 HydrophobicContact CE1-CD1 3.99Å; F361-L365 HydrophobicContact CZ-CD1 4.39Å; F361-L365 HydrophobicContact CZ-CD2 4.48Å; F361-L365 WeakPolarHBondContact O-CG 3.49Å; F361-L365 PolarHBondContact O-N 3.49Å; V362-L365 WeakPolarHBondContact O-CB 3.46Å; V362-L365 PolarHBondContact O-N 2.94Å; L365-N367 VanDerWaalsContact C-N 3.31Å; L365-N367 PolarHBondContact O-N 2.97Å; L365-M368 PolarHBondContact O-N 3.05Å; L365-M368 VanDerWaalsContact O-N 3.09Å; L365-W369 HydrophobicContact CB-CD2 4.41Å; L365-W369 HydrophobicContact CB-CH2 4.07Å; L365-W369 HydrophobicContact CB-CZ2 3.92Å; L365-W369 HydrophobicContact CB-CZ3 4.38Å; L365-W369 HydrophobicContact CD2-CZ2 4.05Å; L365-W369 HydrophobicContact CG-CZ2 4.38Å; L365-W369 WeakPolarHBondContact O-CB 3.28Å; L365-W369 PolarHBondContact O-N 3.48Å; L365-L379 HydrophobicContact CD1-CD1 3.86Å; L365-L382 HydrophobicContact CD1-CD2 3.69Å; L365-F445 HydrophobicContact CD2-CB 4.2Å; L365-F445 HydrophobicContact CD2-CD1 4.36Å; L365-F445 WeakPolarHBondContact CD2-O 3.39Å; L365-F446 HydrophobicContact CD2-CD1 3.94Å; L365-F446 HydrophobicContact CD2-CE1 3.84Å; L365-L459 HydrophobicContact CD1-CD1 4.24Å
366	H	92.1	Very high	83.3	Confident	38 Å²	38	54.4 Å²	54.4	18%	0.176	30%	0.297	C	S	.	.	H	α-helix	trans	-57.3	-41.3	176.6	-62.8	161.5	0	0	0	112.8	V362 M368 W369 Y377	V362-H366 VanDerWaalsContact CG1-CE1 3.41Å; V362-H366 WeakPolarHBondContact CG1-CE1 3.22Å; V362-H366 PolarHBondContact O-N 3.29Å; H366-M368 VanDerWaalsContact C-N 3.34Å; H366-M368 PolarHBondContact O-N 3.03Å; H366-W369 AromaticContact CD2-CE3 3.87Å; H366-W369 AromaticContact CD2-CZ3 3.76Å; H366-W369 PolarHBondContact O-N 2.7Å; H366-Y377 PolarHBondContact CE1-O 2.68Å; H366-Y377 PolarHBondContact NE2-O 3.02Å
367	N	90.8	Very high	83.8	Confident	57 Å²	57	54.4 Å²	54.4	31%	0.305	29%	0.289	S	S	.	.	H	α-helix	trans	-68.4	-29.6	177.5	-85.6	-91.4	0	0	0	113.8	Y341 K345 G363 L364 L365	Y341-N367 PolarHBondContact OH-OD1 3.11Å; K345-N367 HydrophobicContact CD-CB 3.99Å; K345-N367 WeakPolarHBondContact CE-OD1 3.21Å; K345-N367 HydrophobicContact CG-CB 4.39Å; K345-N367 PolarHBondContact NZ-OD1 2.87Å; G363-N367 WeakPolarHBondContact O-CB 3.04Å; G363-N367 PolarHBondContact O-N 3.34Å; G363-N367 PolarHBondContact O-ND2 3.22Å; L364-N367 PolarHBondContact O-N 3.21Å; L365-N367 VanDerWaalsContact C-N 3.31Å; L365-N367 PolarHBondContact O-N 2.97Å
368	M	91.9	Very high	84.1	Confident	5 Å²	5	62.4 Å²	62.4	3%	0.025	32%	0.32	C	S	.	.	H	α-helix	trans	-86	-22.2	179.9	-65.1	-77.7	-67.8	0	0	112.3	F342 K345 L346 L364 L365 H366 E370 F446	F342-M368 HydrophobicContact CB-CE 3.85Å; F342-M368 HydrophobicContact CB-SD 3.68Å; F342-M368 HydrophobicContact CD1-CE 4.28Å; F342-M368 HydrophobicContact CD1-SD 3.6Å; F342-M368 VanDerWaalsContact CD1-SD 3.6Å; F342-M368 HydrophobicContact CG-CE 4.2Å; F342-M368 HydrophobicContact CG-SD 3.97Å; K345-M368 HydrophobicContact CB-SD 4.16Å; L346-M368 HydrophobicContact CD1-CE 4.05Å; L346-M368 HydrophobicContact CD2-CE 4.21Å; L346-M368 HydrophobicContact CG-CE 4.02Å; L346-M368 HydrophobicContact CG-SD 4.28Å; L364-M368 HydrophobicContact CD1-CG 3.66Å; L364-M368 HydrophobicContact CD1-SD 4.14Å; L364-M368 HydrophobicContact CG-CG 4.11Å; L364-M368 WeakPolarHBondContact O-CB 3.29Å; L364-M368 WeakPolarHBondContact O-CG 3.2Å; L364-M368 PolarHBondContact O-N 3.35Å; L365-M368 PolarHBondContact O-N 3.05Å; L365-M368 VanDerWaalsContact O-N 3.09Å; H366-M368 VanDerWaalsContact C-N 3.34Å; H366-M368 PolarHBondContact O-N 3.03Å; M368-E370 VanDerWaalsContact C-N 3.25Å; M368-E370 PolarHBondContact O-N 3.41Å; M368-F446 HydrophobicContact CB-CB 4.01Å; M368-F446 HydrophobicContact CB-CD1 3.85Å; M368-F446 HydrophobicContact CB-CG 4.34Å; M368-F446 HydrophobicContact CE-CB 3.68Å; M368-F446 HydrophobicContact CE-CD1 4.06Å; M368-F446 HydrophobicContact CE-CD2 4.41Å; M368-F446 HydrophobicContact CE-CG 3.78Å; M368-F446 HydrophobicContact CG-CB 4.47Å; M368-F446 HydrophobicContact CG-CD1 3.74Å; M368-F446 HydrophobicContact CG-CE1 4.44Å; M368-F446 HydrophobicContact CG-CG 4.37Å
369	W	91.2	Very high	84.3	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	4.1	178.5	-69.4	-15.9	0	0	0	115.1	L365 H366 F371 Y377 L379 F445 A447 P449 C456 L459	L365-W369 HydrophobicContact CB-CD2 4.41Å; L365-W369 HydrophobicContact CB-CH2 4.07Å; L365-W369 HydrophobicContact CB-CZ2 3.92Å; L365-W369 HydrophobicContact CB-CZ3 4.38Å; L365-W369 HydrophobicContact CD2-CZ2 4.05Å; L365-W369 HydrophobicContact CG-CZ2 4.38Å; L365-W369 WeakPolarHBondContact O-CB 3.28Å; L365-W369 PolarHBondContact O-N 3.48Å; H366-W369 AromaticContact CD2-CE3 3.87Å; H366-W369 AromaticContact CD2-CZ3 3.76Å; H366-W369 PolarHBondContact O-N 2.7Å; W369-F371 VanDerWaalsContact C-N 3.31Å; W369-F371 HydrophobicContact CB-CD2 3.52Å; W369-F371 HydrophobicContact CB-CE2 3.57Å; W369-F371 HydrophobicContact CD2-CE2 4.27Å; W369-F371 HydrophobicContact CE3-CD2 4.29Å; W369-F371 AromaticContact CE3-CE2 3.84Å; W369-F371 HydrophobicContact CE3-CE2 3.84Å; W369-F371 HydrophobicContact CG-CE2 4.23Å; W369-F371 PolarHBondContact O-N 2.96Å; W369-Y377 HydrophobicContact CZ3-CG 4.5Å; W369-L379 HydrophobicContact CH2-CD1 4.04Å; W369-L379 HydrophobicContact CH2-CD2 3.67Å; W369-L379 HydrophobicContact CZ3-CD1 4.41Å; W369-L379 HydrophobicContact CZ3-CD2 3.92Å; W369-F445 PolarHBondContact NE1-O 2.9Å; W369-A447 PolarHBondContact NE1-O 2.83Å; W369-P449 HydrophobicContact CD2-CG 3.88Å; W369-P449 HydrophobicContact CE3-CG 3.99Å; W369-P449 HydrophobicContact CG-CG 4.13Å; W369-C456 HydrophobicContact CH2-CB 3.91Å; W369-C456 WeakPolarHBondContact CH2-SG 3.27Å; W369-C456 HydrophobicContact CZ2-CB 3.74Å; W369-L459 HydrophobicContact CH2-CD1 4.26Å; W369-L459 HydrophobicContact CZ2-CD1 3.92Å
370	E	80.1	Confident	84.6	Confident	71 Å²	71	57 Å²	57	33%	0.332	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	44.3	172.7	-61.1	172.8	-67.1	0	0	112.9	R325 F342 M368 R448	R325-E370 IonicContact CZ-OE1 2.65Å; R325-E370 IonicContact NH1-OE1 3.62Å; R325-E370 PolarHBondContact NH1-OE1 3.2Å; R325-E370 IonicContact NH1-OE2 3.65Å; R325-E370 IonicContact NH2-OE1 3.63Å; R325-E370 PolarHBondContact NH2-OE1 3.01Å; F342-E370 HydrophobicContact CE1-CG 3.89Å; F342-E370 HydrophobicContact CZ-CG 3.51Å; F342-E370 WeakPolarHBondContact CZ-OE2 3.44Å; M368-E370 VanDerWaalsContact C-N 3.25Å; M368-E370 PolarHBondContact O-N 3.41Å; E370-R448 HydrophobicContact CB-CG 4.28Å; E370-R448 VanDerWaalsContact CB-NH1 3.31Å; E370-R448 PolarHBondContact O-NH1 2.91Å; E370-R448 WeakPolarHBondContact OE1-CD 3.36Å; E370-R448 VanDerWaalsContact OE1-CG 3.25Å; E370-R448 WeakPolarHBondContact OE1-CG 3.34Å
371	F	70.9	Confident	84.8	Confident	54 Å²	54	54.1 Å²	54.1	24%	0.237	29%	0.288	C	S	.	.			trans	-88.1	157.5	-177.8	-87.4	-59.1	0	0	0	114.8	W369 Y377 P449	W369-F371 VanDerWaalsContact C-N 3.31Å; W369-F371 HydrophobicContact CB-CD2 3.52Å; W369-F371 HydrophobicContact CB-CE2 3.57Å; W369-F371 HydrophobicContact CD2-CE2 4.27Å; W369-F371 HydrophobicContact CE3-CD2 4.29Å; W369-F371 AromaticContact CE3-CE2 3.84Å; W369-F371 HydrophobicContact CE3-CE2 3.84Å; W369-F371 HydrophobicContact CG-CE2 4.23Å; W369-F371 PolarHBondContact O-N 2.96Å; F371-Y377 AromaticContact CD1-CE2 3.94Å; F371-Y377 HydrophobicContact CD1-CE2 3.94Å; F371-Y377 HydrophobicContact CD2-CD2 4.03Å; F371-Y377 HydrophobicContact CD2-CE2 4.01Å; F371-Y377 HydrophobicContact CE1-CD2 4.31Å; F371-Y377 AromaticContact CE1-CE2 3.35Å; F371-Y377 HydrophobicContact CE1-CE2 3.35Å; F371-Y377 AromaticContact CE1-CZ 3.76Å; F371-Y377 AromaticContact CE2-CD2 3.59Å; F371-Y377 HydrophobicContact CE2-CD2 3.59Å; F371-Y377 AromaticContact CE2-CE2 3.4Å; F371-Y377 HydrophobicContact CE2-CE2 3.4Å; F371-Y377 VanDerWaalsContact CE2-CE2 3.4Å; F371-Y377 HydrophobicContact CE2-CG 4.33Å; F371-Y377 AromaticContact CE2-CZ 3.99Å; F371-Y377 HydrophobicContact CG-CE2 4.27Å; F371-Y377 AromaticContact CZ-CD2 3.77Å; F371-Y377 HydrophobicContact CZ-CD2 3.77Å; F371-Y377 HydrophobicContact CZ-CE1 4.21Å; F371-Y377 AromaticContact CZ-CE2 3.05Å; F371-Y377 HydrophobicContact CZ-CE2 3.05Å; F371-Y377 AromaticContact CZ-CZ 3.31Å; F371-Y377 WeakPolarHBondContact CZ-OH 3.25Å; F371-P449 VanDerWaalsContact CE2-CD 3.46Å; F371-P449 HydrophobicContact CE2-CG 3.53Å; F371-P449 HydrophobicContact CZ-CB 4.14Å; F371-P449 VanDerWaalsContact CZ-CD 3.44Å; F371-P449 HydrophobicContact CZ-CG 3.52Å
372	D	62.7	Low	85	Confident	89 Å²	89	54.1 Å²	54.1	48%	0.476	29%	0.288	S	S	.	.			trans	-55	127.4	154.5	-171.3	-43.7	0	0	0	109.7	D374 I375	D372-D374 PolarHBondContact O-N 3.11Å; D372-D374 VanDerWaalsContact O-N 3.14Å; D372-D374 WeakPolarHBondContact OD1-CB 3.1Å; D372-D374 PolarHBondContact OD1-N 3.47Å; D372-I375 HydrophobicContact CB-CD1 4.04Å; D372-I375 HydrophobicContact CB-CG1 4.09Å; D372-I375 PolarHBondContact O-N 3.19Å; D372-I375 VanDerWaalsContact O-N 3.11Å
373	P	62.6	Low	85.1	Confident	118 Å²	118	58.6 Å²	58.6	77%	0.766	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-20.6	-177.9	26.1	-35.8	0	0	0	114.3	I375	P373-I375 VanDerWaalsContact C-N 3.31Å
374	D	64.1	Low	85.4	Confident	147 Å²	147	60.9 Å²	60.9	79%	0.786	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-11.8	179	-68.7	-18.9	0	0	0	112.7	D372	D372-D374 PolarHBondContact O-N 3.11Å; D372-D374 VanDerWaalsContact O-N 3.14Å; D372-D374 WeakPolarHBondContact OD1-CB 3.1Å; D372-D374 PolarHBondContact OD1-N 3.47Å
375	I	67.5	Low	85.6	Confident	87 Å²	87	60.6 Å²	60.6	45%	0.446	31%	0.311	S	S	.	.			trans	-102.7	88.1	-176.2	-50.8	-179.3	0	0	0	111.7	D372 P373 Y377	D372-I375 HydrophobicContact CB-CD1 4.04Å; D372-I375 HydrophobicContact CB-CG1 4.09Å; D372-I375 PolarHBondContact O-N 3.19Å; D372-I375 VanDerWaalsContact O-N 3.11Å; P373-I375 VanDerWaalsContact C-N 3.31Å; I375-Y377 HydrophobicContact CG2-CD2 4Å; I375-Y377 HydrophobicContact CG2-CE2 3.52Å; I375-Y377 PolarHBondContact O-N 3.38Å
376	T	72.3	Confident	85.8	Confident	107 Å²	107	62.4 Å²	62.4	66%	0.656	32%	0.318	S	S	*	.			trans	-84.2	110.4	175.1	-60.6	0	0	0	0	112.2	K378	T376-K378 PolarHBondContact O-N 3.28Å
377	Y	79.6	Confident	86.1	Confident	78 Å²	78	66.6 Å²	66.6	31%	0.306	34%	0.336	S	S	.	.			trans	-75.6	117.5	174.9	-82	-107.4	0	0	0	111.5	H366 W369 F371 I375	H366-Y377 PolarHBondContact CE1-O 2.68Å; H366-Y377 PolarHBondContact NE2-O 3.02Å; W369-Y377 HydrophobicContact CZ3-CG 4.5Å; F371-Y377 AromaticContact CD1-CE2 3.94Å; F371-Y377 HydrophobicContact CD1-CE2 3.94Å; F371-Y377 HydrophobicContact CD2-CD2 4.03Å; F371-Y377 HydrophobicContact CD2-CE2 4.01Å; F371-Y377 HydrophobicContact CE1-CD2 4.31Å; F371-Y377 AromaticContact CE1-CE2 3.35Å; F371-Y377 HydrophobicContact CE1-CE2 3.35Å; F371-Y377 AromaticContact CE1-CZ 3.76Å; F371-Y377 AromaticContact CE2-CD2 3.59Å; F371-Y377 HydrophobicContact CE2-CD2 3.59Å; F371-Y377 AromaticContact CE2-CE2 3.4Å; F371-Y377 HydrophobicContact CE2-CE2 3.4Å; F371-Y377 VanDerWaalsContact CE2-CE2 3.4Å; F371-Y377 HydrophobicContact CE2-CG 4.33Å; F371-Y377 AromaticContact CE2-CZ 3.99Å; F371-Y377 HydrophobicContact CG-CE2 4.27Å; F371-Y377 AromaticContact CZ-CD2 3.77Å; F371-Y377 HydrophobicContact CZ-CD2 3.77Å; F371-Y377 HydrophobicContact CZ-CE1 4.21Å; F371-Y377 AromaticContact CZ-CE2 3.05Å; F371-Y377 HydrophobicContact CZ-CE2 3.05Å; F371-Y377 AromaticContact CZ-CZ 3.31Å; F371-Y377 WeakPolarHBondContact CZ-OH 3.25Å; I375-Y377 HydrophobicContact CG2-CD2 4Å; I375-Y377 HydrophobicContact CG2-CE2 3.52Å; I375-Y377 PolarHBondContact O-N 3.38Å
378	K	91.3	Very high	86.4	Confident	180 Å²	180	67.2 Å²	67.2	78%	0.783	34%	0.337	S	S	*	.			trans	-69.3	136.3	169.1	-63.8	-176.8	-179.4	179.7	0	109.8	T376 P380 S460	T376-K378 PolarHBondContact O-N 3.28Å; K378-P380 VanDerWaalsContact O-CD 3.26Å; K378-P380 WeakPolarHBondContact O-CD 3.44Å; K378-S460 WeakPolarHBondContact O-CB 3.17Å
379	L	96.1	Very high	86.7	Confident	6 Å²	6	67.8 Å²	67.8	3%	0.031	34%	0.34	C	S	.	.			trans	-119.2	59.4	-177.2	-54.2	-177.7	0	0	0	112.6	V362 L365 W369 A381 L382 E383 L459	V362-L379 HydrophobicContact CG1-CD1 4.12Å; V362-L379 HydrophobicContact CG2-CD1 4.4Å; L365-L379 HydrophobicContact CD1-CD1 3.86Å; W369-L379 HydrophobicContact CH2-CD1 4.04Å; W369-L379 HydrophobicContact CH2-CD2 3.67Å; W369-L379 HydrophobicContact CZ3-CD1 4.41Å; W369-L379 HydrophobicContact CZ3-CD2 3.92Å; L379-A381 PolarHBondContact O-N 3.19Å; L379-L382 HydrophobicContact CB-CB 3.93Å; L379-L382 HydrophobicContact CB-CD2 4.38Å; L379-L382 HydrophobicContact CD1-CD2 3.81Å; L379-L382 PolarHBondContact O-N 3.41Å; L379-E383 PolarHBondContact O-N 3.33Å; L379-L459 CarbonylContact C-O 3.49Å; L379-L459 WeakPolarHBondContact CA-O 3.42Å; L379-L459 HydrophobicContact CD2-CB 4.03Å
380	P	97.8	Very high	87	Confident	48 Å²	48	68.6 Å²	68.6	31%	0.312	35%	0.345	S	S	.	.	H	α-helix	trans	-57.6	-37.7	-172	18	-30.2	0	0	0	114.7	K378 E383 M384 S461	K378-P380 VanDerWaalsContact O-CD 3.26Å; K378-P380 WeakPolarHBondContact O-CD 3.44Å; P380-E383 PolarHBondContact O-N 2.87Å; P380-M384 VanDerWaalsContact O-CB 3.29Å; P380-M384 WeakPolarHBondContact O-CB 3.48Å; P380-M384 PolarHBondContact O-N 2.66Å; P380-S461 WeakPolarHBondContact CG-O 3.13Å
381	A	98.4	Very high	87.8	Confident	1 Å²	1	72 Å²	72	1%	0.008	36%	0.361	C	S	.	.	H	α-helix	trans	-65.8	-39.3	174.5	0	0	0	0	0	112.1	L379 Y385 I458 L459 S461 C466 V467 L470	L379-A381 PolarHBondContact O-N 3.19Å; A381-Y385 WeakPolarHBondContact O-CB 3.35Å; A381-Y385 PolarHBondContact O-N 3.21Å; A381-I458 WeakPolarHBondContact CB-O 3.46Å; A381-L459 PolarHBondContact N-O 2.53Å; A381-S461 WeakPolarHBondContact CB-O 3.26Å; A381-S461 PolarHBondContact N-O 2.9Å; A381-S461 VanDerWaalsContact N-O 3.16Å; A381-C466 HydrophobicContact CB-CB 3.92Å; A381-V467 HydrophobicContact CB-CG2 4.13Å; A381-L470 HydrophobicContact CB-CD1 4.2Å
382	L	98.6	Very high	89.1	Confident	0 Å²	0	75.7 Å²	75.7	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-69.3	-35.3	176.4	-174.7	63.8	0	0	0	111.8	Y358 F361 V362 L365 L379 Y386 F402 L459 L470 F474	Y358-L382 HydrophobicContact CE2-CD2 4.43Å; Y358-L382 HydrophobicContact CE2-CG 4.02Å; F361-L382 HydrophobicContact CD1-CD1 4.46Å; F361-L382 HydrophobicContact CD1-CD2 4.03Å; F361-L382 HydrophobicContact CE1-CD1 4.24Å; F361-L382 HydrophobicContact CE1-CD2 4.21Å; V362-L382 HydrophobicContact CG2-CD2 4.36Å; L365-L382 HydrophobicContact CD1-CD2 3.69Å; L379-L382 HydrophobicContact CB-CB 3.93Å; L379-L382 HydrophobicContact CB-CD2 4.38Å; L379-L382 HydrophobicContact CD1-CD2 3.81Å; L379-L382 PolarHBondContact O-N 3.41Å; L382-Y386 VanDerWaalsContact O-CB 3.31Å; L382-Y386 WeakPolarHBondContact O-CB 3.23Å; L382-Y386 PolarHBondContact O-N 3.48Å; L382-F402 HydrophobicContact CD1-CE1 3.91Å; L382-F402 HydrophobicContact CD1-CZ 3.91Å; L382-L459 HydrophobicContact CB-CD2 3.9Å; L382-L459 HydrophobicContact CD1-CD2 3.83Å; L382-L459 HydrophobicContact CD2-CD2 4.15Å; L382-L459 HydrophobicContact CG-CD2 4.14Å; L382-L459 PolarHBondContact N-O 2.63Å; L382-L470 HydrophobicContact CB-CD1 4.44Å; L382-L470 HydrophobicContact CD1-CD1 4.39Å; L382-F474 HydrophobicContact CD1-CE2 4.14Å; L382-F474 HydrophobicContact CD1-CZ 4.01Å
383	E	98.2	Very high	90.7	Very high	113 Å²	113	74.6 Å²	74.6	53%	0.528	38%	0.379	S	S	.	.	H	α-helix	trans	-68.8	-45.5	176.4	-168.2	174.3	173.4	0	0	111.7	Y358 L379 P380 Y386 K387	Y358-E383 HydrophobicContact CE1-CB 4.47Å; Y358-E383 HydrophobicContact CE1-CG 4.34Å; Y358-E383 VanDerWaalsContact OH-CA 3.25Å; Y358-E383 WeakPolarHBondContact OH-CA 3.35Å; Y358-E383 WeakPolarHBondContact OH-CB 3.11Å; Y358-E383 PolarHBondContact OH-N 2.82Å; Y358-E383 VanDerWaalsContact OH-N 3.11Å; L379-E383 PolarHBondContact O-N 3.33Å; P380-E383 PolarHBondContact O-N 2.87Å; E383-Y386 PolarHBondContact O-N 2.88Å; E383-K387 PolarHBondContact O-N 3.36Å
384	M	98.4	Very high	92.4	Very high	72 Å²	72	70.6 Å²	70.6	36%	0.355	36%	0.359	S	S	.	.	H	α-helix	trans	-66.8	-41.6	176.2	-172	153.5	71	0	0	111.6	P380 K387 E388 V467	P380-M384 VanDerWaalsContact O-CB 3.29Å; P380-M384 WeakPolarHBondContact O-CB 3.48Å; P380-M384 PolarHBondContact O-N 2.66Å; M384-K387 PolarHBondContact O-N 3.16Å; M384-E388 WeakPolarHBondContact O-CB 3.47Å; M384-E388 WeakPolarHBondContact O-CG 3.36Å; M384-E388 PolarHBondContact O-N 3.39Å; M384-V467 HydrophobicContact CB-CG2 3.9Å; M384-V467 HydrophobicContact CE-CG2 3.48Å; M384-V467 VanDerWaalsContact CE-CG2 3.48Å; M384-V467 HydrophobicContact CG-CG2 4.02Å
385	Y	98.6	Very high	93.9	Very high	2 Å²	2	71.8 Å²	71.8	1%	0.008	35%	0.353	C	S	.	.	H	α-helix	trans	-57	-49.1	169.5	175.9	-90.3	0	0	0	111.8	A381 K387 E388 M389 V398 K401 F402 V467 L470 K471 F474	A381-Y385 WeakPolarHBondContact O-CB 3.35Å; A381-Y385 PolarHBondContact O-N 3.21Å; Y385-K387 VanDerWaalsContact C-N 3.29Å; Y385-K387 PolarHBondContact O-N 3.48Å; Y385-E388 PolarHBondContact O-N 2.87Å; Y385-M389 HydrophobicContact CD1-CG 4.42Å; Y385-M389 HydrophobicContact CD2-CG 3.92Å; Y385-M389 HydrophobicContact CE1-CB 4.43Å; Y385-M389 HydrophobicContact CE1-CG 4.04Å; Y385-M389 HydrophobicContact CE2-CG 3.5Å; Y385-M389 HydrophobicContact CE2-SD 4.38Å; Y385-M389 HydrophobicContact CG-CG 4.35Å; Y385-M389 WeakPolarHBondContact O-CB 3.41Å; Y385-M389 WeakPolarHBondContact O-CG 3.38Å; Y385-M389 PolarHBondContact O-N 3.4Å; Y385-V398 HydrophobicContact CE1-CG1 3.99Å; Y385-K401 WeakPolarHBondContact OH-CD 3.36Å; Y385-F402 HydrophobicContact CD1-CE1 4.03Å; Y385-F402 HydrophobicContact CD1-CZ 4.23Å; Y385-F402 AromaticContact CE1-CE1 3.86Å; Y385-F402 HydrophobicContact CE1-CE1 3.86Å; Y385-F402 HydrophobicContact CE1-CZ 4.36Å; Y385-V467 HydrophobicContact CD2-CG1 4.47Å; Y385-L470 HydrophobicContact CD2-CB 3.61Å; Y385-L470 HydrophobicContact CE2-CB 4.14Å; Y385-L470 HydrophobicContact CG-CB 3.95Å; Y385-L470 HydrophobicContact CG-CD1 4.29Å; Y385-K471 HydrophobicContact CD2-CG 4Å; Y385-K471 HydrophobicContact CE2-CB 4.38Å; Y385-K471 HydrophobicContact CE2-CG 3.72Å; Y385-F474 AromaticContact CD1-CD2 3.96Å; Y385-F474 HydrophobicContact CD1-CD2 3.96Å; Y385-F474 AromaticContact CD1-CE2 3.8Å; Y385-F474 HydrophobicContact CD1-CE2 3.8Å; Y385-F474 HydrophobicContact CD2-CD2 4.38Å; Y385-F474 AromaticContact CE1-CD2 3.35Å; Y385-F474 HydrophobicContact CE1-CD2 3.35Å; Y385-F474 AromaticContact CE1-CE2 3.6Å; Y385-F474 HydrophobicContact CE1-CE2 3.6Å; Y385-F474 HydrophobicContact CE1-CG 4.16Å; Y385-F474 AromaticContact CE2-CD2 3.82Å; Y385-F474 HydrophobicContact CE2-CD2 3.82Å; Y385-F474 HydrophobicContact CG-CD2 4.45Å; Y385-F474 HydrophobicContact CG-CE2 4.38Å; Y385-F474 AromaticContact CZ-CD2 3.28Å; Y385-F474 AromaticContact CZ-CG 3.97Å; Y385-F474 WeakPolarHBondContact OH-CB 3.42Å
386	Y	98.4	Very high	95.2	Very high	38 Å²	38	73.4 Å²	73.4	15%	0.149	36%	0.358	C	S	.	.	H	α-helix	trans	-60.2	-40.9	179.2	172.2	-102	0	0	0	111.5	Y358 L382 E383 S390 V398 L399 F402	Y358-Y386 VanDerWaalsContact CD2-CB 3.48Å; Y358-Y386 AromaticContact CD2-CD1 3.63Å; Y358-Y386 HydrophobicContact CD2-CD1 3.63Å; Y358-Y386 AromaticContact CD2-CD2 3.75Å; Y358-Y386 HydrophobicContact CD2-CD2 3.75Å; Y358-Y386 HydrophobicContact CD2-CE1 4.31Å; Y358-Y386 HydrophobicContact CD2-CE2 4.41Å; Y358-Y386 AromaticContact CD2-CG 3.3Å; Y358-Y386 HydrophobicContact CD2-CG 3.3Å; Y358-Y386 HydrophobicContact CE2-CD1 4.34Å; Y358-Y386 AromaticContact CE2-CG 3.95Å; Y358-Y386 HydrophobicContact CE2-CG 3.95Å; Y358-Y386 AromaticContact CG-CD1 3.85Å; Y358-Y386 HydrophobicContact CG-CD1 3.85Å; Y358-Y386 HydrophobicContact CG-CD2 4.4Å; Y358-Y386 HydrophobicContact CG-CE1 4.17Å; Y358-Y386 AromaticContact CG-CG 3.98Å; Y358-Y386 HydrophobicContact CG-CG 3.98Å; L382-Y386 VanDerWaalsContact O-CB 3.31Å; L382-Y386 WeakPolarHBondContact O-CB 3.23Å; L382-Y386 PolarHBondContact O-N 3.48Å; E383-Y386 PolarHBondContact O-N 2.88Å; Y386-S390 WeakPolarHBondContact CE2-OG 3.35Å; Y386-S390 WeakPolarHBondContact O-CB 3.38Å; Y386-S390 PolarHBondContact O-N 2.91Å; Y386-S390 PolarHBondContact O-OG 3.34Å; Y386-V398 HydrophobicContact CD2-CB 4.25Å; Y386-V398 HydrophobicContact CD2-CG1 3.73Å; Y386-V398 HydrophobicContact CE2-CB 4.46Å; Y386-V398 HydrophobicContact CE2-CG1 4.41Å; Y386-L399 HydrophobicContact CE2-CD2 4.02Å; Y386-L399 HydrophobicContact CE2-CG 4.3Å; Y386-F402 AromaticContact CD2-CE2 3.87Å; Y386-F402 HydrophobicContact CD2-CE2 3.87Å; Y386-F402 HydrophobicContact CD2-CZ 4.17Å
387	K	98	Very high	96.4	Very high	126 Å²	126	71.2 Å²	71.2	55%	0.548	34%	0.34	S	S	.	.	H	α-helix	trans	-64	-59.4	176.1	-173.2	-166.7	167	-164.9	0	111.6	E383 M384 Y385 M389 S390 E391	E383-K387 PolarHBondContact O-N 3.36Å; M384-K387 PolarHBondContact O-N 3.16Å; Y385-K387 VanDerWaalsContact C-N 3.29Å; Y385-K387 PolarHBondContact O-N 3.48Å; K387-M389 VanDerWaalsContact C-N 3.33Å; K387-M389 PolarHBondContact O-N 2.95Å; K387-S390 PolarHBondContact O-N 2.93Å; K387-S390 VanDerWaalsContact O-N 3.11Å; K387-E391 WeakPolarHBondContact CE-OE1 3.41Å; K387-E391 WeakPolarHBondContact CG-OE1 3.32Å; K387-E391 IonicContact NZ-OE1 3.08Å; K387-E391 PolarHBondContact O-N 3.19Å
388	E	97.9	Very high	97.2	Very high	69 Å²	69	67.5 Å²	67.5	32%	0.322	33%	0.326	S	S	.	.	H	α-helix	trans	-52.6	-50	-178.4	-75.9	179.1	-150.7	0	0	111.5	M384 Y385 S390 E391 L392 K471	M384-E388 WeakPolarHBondContact O-CB 3.47Å; M384-E388 WeakPolarHBondContact O-CG 3.36Å; M384-E388 PolarHBondContact O-N 3.39Å; Y385-E388 PolarHBondContact O-N 2.87Å; E388-S390 PolarHBondContact O-N 2.91Å; E388-E391 PolarHBondContact O-N 3.42Å; E388-L392 PolarHBondContact O-N 2.8Å; E388-L392 VanDerWaalsContact O-N 3.1Å; E388-K471 VanDerWaalsContact OE2-CE 3.28Å; E388-K471 WeakPolarHBondContact OE2-CE 3.41Å; E388-K471 IonicContact OE2-NZ 3.21Å; E388-K471 PolarHBondContact OE2-NZ 3.05Å
389	M	97.9	Very high	97.6	Very high	17 Å²	17	59.2 Å²	59.2	8%	0.084	29%	0.29	C	S	.	.	H	α-helix	trans	-74.9	-26.5	-177.6	-59.6	-55	-61.8	0	0	112.6	Y385 K387 E391 L392 V393 V398 K471	Y385-M389 HydrophobicContact CD1-CG 4.42Å; Y385-M389 HydrophobicContact CD2-CG 3.92Å; Y385-M389 HydrophobicContact CE1-CB 4.43Å; Y385-M389 HydrophobicContact CE1-CG 4.04Å; Y385-M389 HydrophobicContact CE2-CG 3.5Å; Y385-M389 HydrophobicContact CE2-SD 4.38Å; Y385-M389 HydrophobicContact CG-CG 4.35Å; Y385-M389 WeakPolarHBondContact O-CB 3.41Å; Y385-M389 WeakPolarHBondContact O-CG 3.38Å; Y385-M389 PolarHBondContact O-N 3.4Å; K387-M389 VanDerWaalsContact C-N 3.33Å; K387-M389 PolarHBondContact O-N 2.95Å; M389-E391 VanDerWaalsContact C-N 3.29Å; M389-L392 HydrophobicContact CE-CD2 4.03Å; M389-L392 PolarHBondContact O-N 3Å; M389-L392 HydrophobicContact SD-CD2 4.23Å; M389-V393 HydrophobicContact CE-CG1 4.41Å; M389-V393 HydrophobicContact CE-CG2 4.41Å; M389-V393 VanDerWaalsContact O-CG2 3.25Å; M389-V393 WeakPolarHBondContact O-CG2 3.27Å; M389-V393 PolarHBondContact O-N 3.35Å; M389-V398 VanDerWaalsContact C-CG2 3.44Å; M389-V398 HydrophobicContact CB-CG1 4.39Å; M389-V398 HydrophobicContact CB-CG2 3.57Å; M389-K471 HydrophobicContact SD-CG 4.37Å
390	S	97.6	Very high	97.6	Very high	17 Å²	17	60.4 Å²	60.4	12%	0.119	30%	0.296	C	S	.	.	H	α-helix	trans	-69.9	-29	173.4	-71.1	0	0	0	0	112.6	Y386 K387 E388 G394	Y386-S390 WeakPolarHBondContact CE2-OG 3.35Å; Y386-S390 WeakPolarHBondContact O-CB 3.38Å; Y386-S390 PolarHBondContact O-N 2.91Å; Y386-S390 PolarHBondContact O-OG 3.34Å; K387-S390 PolarHBondContact O-N 2.93Å; K387-S390 VanDerWaalsContact O-N 3.11Å; E388-S390 PolarHBondContact O-N 2.91Å; S390-G394 VanDerWaalsContact O-CA 3.27Å; S390-G394 WeakPolarHBondContact O-CA 3.37Å; S390-G394 PolarHBondContact O-N 3.44Å
391	E	98	Very high	97.6	Very high	143 Å²	143	59.1 Å²	59.1	67%	0.668	29%	0.285	S	S	*	.	H	α-helix	trans	-76.7	-33.1	173.2	-70.2	170.5	-168.3	0	0	111.1	K387 E388 M389	K387-E391 WeakPolarHBondContact CE-OE1 3.41Å; K387-E391 WeakPolarHBondContact CG-OE1 3.32Å; K387-E391 IonicContact NZ-OE1 3.08Å; K387-E391 PolarHBondContact O-N 3.19Å; E388-E391 PolarHBondContact O-N 3.42Å; M389-E391 VanDerWaalsContact C-N 3.29Å
392	L	96.9	Very high	97.6	Very high	132 Å²	132	59.1 Å²	59.1	69%	0.691	29%	0.285	S	S	*	.	H	α-helix	trans	-84.7	-47.5	-178.4	-174.9	63.2	0	0	0	115.3	E388 M389	E388-L392 PolarHBondContact O-N 2.8Å; E388-L392 VanDerWaalsContact O-N 3.1Å; M389-L392 HydrophobicContact CE-CD2 4.03Å; M389-L392 PolarHBondContact O-N 3Å; M389-L392 HydrophobicContact SD-CD2 4.23Å
393	V	96.8	Very high	97.6	Very high	66 Å²	66	59.1 Å²	59.1	40%	0.4	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.5	3	-174.4	-57.1	0	0	0	0	114.1	M389 E397 V398	M389-V393 HydrophobicContact CE-CG1 4.41Å; M389-V393 HydrophobicContact CE-CG2 4.41Å; M389-V393 VanDerWaalsContact O-CG2 3.25Å; M389-V393 WeakPolarHBondContact O-CG2 3.27Å; M389-V393 PolarHBondContact O-N 3.35Å; V393-E397 HydrophobicContact CB-CG 4.32Å; V393-E397 HydrophobicContact CG2-CB 4.14Å; V393-E397 HydrophobicContact CG2-CG 3.89Å; V393-V398 HydrophobicContact CG2-CG2 3.97Å
394	G	97.2	Very high	97.6	Very high	33 Å²	33	54.5 Å²	54.5	34%	0.34	26%	0.263	S	S	.	.			trans	82.8	145.9	-179.1	0	0	0	0	0	113.8	S390 E396 E397 V398	S390-G394 VanDerWaalsContact O-CA 3.27Å; S390-G394 WeakPolarHBondContact O-CA 3.37Å; S390-G394 PolarHBondContact O-N 3.44Å; G394-E396 VanDerWaalsContact C-N 3.32Å; G394-E396 PolarHBondContact O-N 2.99Å; G394-E397 PolarHBondContact O-N 3.46Å; G394-V398 PolarHBondContact O-N 2.93Å
395	R	95.8	Very high	97.6	Very high	173 Å²	173	51.1 Å²	51.1	65%	0.653	25%	0.246	S	C	*	.	H	α-helix	trans	-55.3	-40.7	-173.7	-67.6	176.7	-177.9	-179.9	1.9	113.9	E397 V398 L399	R395-E397 PolarHBondContact O-N 2.78Å; R395-V398 PolarHBondContact O-N 3.35Å; R395-L399 VanDerWaalsContact O-CG 3.28Å; R395-L399 WeakPolarHBondContact O-CG 3.42Å; R395-L399 PolarHBondContact O-N 2.98Å
396	E	95.6	Very high	97.6	Very high	121 Å²	121	51 Å²	51	57%	0.565	25%	0.246	S	C	*	.	H	α-helix	trans	-64.3	-39.4	-176.8	-77	-155.4	-142.2	0	0	113.3	K354 G394 L399 E400	K354-E396 IonicContact NZ-OE2 2.7Å; K354-E396 PolarHBondContact NZ-OE2 3.39Å; G394-E396 VanDerWaalsContact C-N 3.32Å; G394-E396 PolarHBondContact O-N 2.99Å; E396-L399 PolarHBondContact O-N 3.22Å; E396-E400 VanDerWaalsContact O-CB 3.29Å; E396-E400 WeakPolarHBondContact O-CB 3.46Å; E396-E400 PolarHBondContact O-N 3.2Å
397	E	96.6	Very high	97.6	Very high	60 Å²	60	52.8 Å²	52.8	28%	0.28	25%	0.252	S	S	.	.	H	α-helix	trans	-67.9	-40.5	177	173.2	54.5	-158.5	0	0	110.3	V393 G394 R395 L399 E400 K401 R404	V393-E397 HydrophobicContact CB-CG 4.32Å; V393-E397 HydrophobicContact CG2-CB 4.14Å; V393-E397 HydrophobicContact CG2-CG 3.89Å; G394-E397 PolarHBondContact O-N 3.46Å; R395-E397 PolarHBondContact O-N 2.78Å; E397-L399 PolarHBondContact O-N 3.02Å; E397-E400 CarbonylContact O-C 3.52Å; E397-E400 WeakPolarHBondContact O-CA 3.32Å; E397-E400 WeakPolarHBondContact O-CB 3.38Å; E397-E400 PolarHBondContact O-N 3.15Å; E397-E400 VanDerWaalsContact O-N 3.1Å; E397-K401 VanDerWaalsContact O-CG 3.3Å; E397-K401 WeakPolarHBondContact O-CG 3.45Å; E397-K401 PolarHBondContact O-N 2.89Å; E397-K401 IonicContact OE1-NZ 3.68Å; E397-K401 PolarHBondContact OE1-NZ 2.77Å; E397-R404 IonicContact OE1-CZ 2.71Å; E397-R404 IonicContact OE1-NH1 3.94Å; E397-R404 PolarHBondContact OE1-NH1 2.94Å; E397-R404 IonicContact OE1-NH2 3.87Å; E397-R404 PolarHBondContact OE1-NH2 3.37Å; E397-R404 IonicContact OE2-CZ 3.24Å; E397-R404 IonicContact OE2-NH1 2.81Å; E397-R404 IonicContact OE2-NH2 2.89Å; E397-R404 PolarHBondContact OE2-NH2 3.19Å
398	V	97.9	Very high	97.6	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.3	-41	176.3	-170.1	0	0	0	0	112.4	Y385 Y386 M389 V393 G394 R395 E400 K401 F402	Y385-V398 HydrophobicContact CE1-CG1 3.99Å; Y386-V398 HydrophobicContact CD2-CB 4.25Å; Y386-V398 HydrophobicContact CD2-CG1 3.73Å; Y386-V398 HydrophobicContact CE2-CB 4.46Å; Y386-V398 HydrophobicContact CE2-CG1 4.41Å; M389-V398 VanDerWaalsContact C-CG2 3.44Å; M389-V398 HydrophobicContact CB-CG1 4.39Å; M389-V398 HydrophobicContact CB-CG2 3.57Å; V393-V398 HydrophobicContact CG2-CG2 3.97Å; G394-V398 PolarHBondContact O-N 2.93Å; R395-V398 PolarHBondContact O-N 3.35Å; V398-E400 VanDerWaalsContact C-N 3.27Å; V398-E400 PolarHBondContact O-N 2.88Å; V398-K401 PolarHBondContact O-N 3.39Å; V398-F402 HydrophobicContact CG1-CE1 4.07Å; V398-F402 HydrophobicContact CG1-CE2 4.2Å; V398-F402 HydrophobicContact CG1-CZ 3.77Å; V398-F402 WeakPolarHBondContact O-CG 3.26Å; V398-F402 PolarHBondContact O-N 2.94Å; V398-F402 VanDerWaalsContact O-N 3.16Å
399	L	97.9	Very high	97.6	Very high	7 Å²	7	44.2 Å²	44.2	4%	0.037	21%	0.214	C	C	.	.	H	α-helix	trans	-64.6	-34.5	173.8	-65.6	171.9	0	0	0	111.7	Y353 G357 Y386 R395 E396 E397 F402 A403	Y353-L399 HydrophobicContact CD2-CB 4.18Å; Y353-L399 WeakPolarHBondContact CD2-O 3.21Å; G357-L399 VanDerWaalsContact C-CD2 3.48Å; Y386-L399 HydrophobicContact CE2-CD2 4.02Å; Y386-L399 HydrophobicContact CE2-CG 4.3Å; R395-L399 VanDerWaalsContact O-CG 3.28Å; R395-L399 WeakPolarHBondContact O-CG 3.42Å; R395-L399 PolarHBondContact O-N 2.98Å; E396-L399 PolarHBondContact O-N 3.22Å; E397-L399 PolarHBondContact O-N 3.02Å; L399-F402 HydrophobicContact CD2-CD2 4.34Å; L399-F402 PolarHBondContact O-N 3.34Å; L399-A403 PolarHBondContact O-N 3.16Å
400	E	97.8	Very high	97.5	Very high	30 Å²	30	46.4 Å²	46.4	14%	0.14	22%	0.223	C	C	.	.	H	α-helix	trans	-66.3	-42	172.4	173.8	59.4	-153	0	0	112	Y353 E396 E397 V398 F402 A403 R404 R407	Y353-E400 PolarHBondContact OH-OE2 3.3Å; E396-E400 VanDerWaalsContact O-CB 3.29Å; E396-E400 WeakPolarHBondContact O-CB 3.46Å; E396-E400 PolarHBondContact O-N 3.2Å; E397-E400 CarbonylContact O-C 3.52Å; E397-E400 WeakPolarHBondContact O-CA 3.32Å; E397-E400 WeakPolarHBondContact O-CB 3.38Å; E397-E400 PolarHBondContact O-N 3.15Å; E397-E400 VanDerWaalsContact O-N 3.1Å; V398-E400 VanDerWaalsContact C-N 3.27Å; V398-E400 PolarHBondContact O-N 2.88Å; E400-F402 VanDerWaalsContact C-N 3.3Å; E400-F402 PolarHBondContact O-N 3.12Å; E400-A403 CarbonylContact O-C 3.56Å; E400-A403 WeakPolarHBondContact O-CA 3.4Å; E400-A403 WeakPolarHBondContact O-CB 3.29Å; E400-A403 PolarHBondContact O-N 2.84Å; E400-R404 WeakPolarHBondContact O-CG 3.29Å; E400-R404 PolarHBondContact O-N 2.86Å; E400-R404 IonicContact OE1-CZ 2.72Å; E400-R404 IonicContact OE1-NE 2.71Å; E400-R404 PolarHBondContact OE1-NE 3.08Å; E400-R404 IonicContact OE1-NH2 2.71Å; E400-R407 IonicContact OE1-CZ 3.17Å; E400-R407 VanDerWaalsContact OE1-CZ 3.29Å; E400-R407 IonicContact OE1-NH1 3.34Å; E400-R407 PolarHBondContact OE1-NH1 2.84Å; E400-R407 IonicContact OE1-NH2 2.63Å; E400-R407 PolarHBondContact OE1-NH2 3.1Å; E400-R407 IonicContact OE2-CZ 2.69Å; E400-R407 IonicContact OE2-NH1 2.67Å; E400-R407 IonicContact OE2-NH2 2.87Å; E400-R407 PolarHBondContact OE2-NH2 2.76Å
401	K	98	Very high	97.4	Very high	22 Å²	22	48 Å²	48	10%	0.096	23%	0.233	C	C	.	.	H	α-helix	trans	-55.3	-44.6	171.8	-55.2	-167.2	-173.1	-59.8	0	111.6	Y385 E397 V398 A403 R404 V405 F474 D478	Y385-K401 WeakPolarHBondContact OH-CD 3.36Å; E397-K401 VanDerWaalsContact O-CG 3.3Å; E397-K401 WeakPolarHBondContact O-CG 3.45Å; E397-K401 PolarHBondContact O-N 2.89Å; E397-K401 IonicContact OE1-NZ 3.68Å; E397-K401 PolarHBondContact OE1-NZ 2.77Å; V398-K401 PolarHBondContact O-N 3.39Å; K401-A403 VanDerWaalsContact C-N 3.35Å; K401-A403 PolarHBondContact O-N 3.1Å; K401-R404 WeakPolarHBondContact O-CB 3.37Å; K401-R404 PolarHBondContact O-N 3.08Å; K401-V405 PolarHBondContact O-N 3.33Å; K401-F474 HydrophobicContact CB-CB 4.43Å; K401-F474 HydrophobicContact CB-CD1 4.34Å; K401-F474 HydrophobicContact CD-CB 4.23Å; K401-D478 VanDerWaalsContact CD-OD2 3.29Å; K401-D478 WeakPolarHBondContact CD-OD2 3.41Å; K401-D478 WeakPolarHBondContact CE-OD2 3.37Å; K401-D478 WeakPolarHBondContact CG-OD1 3.05Å; K401-D478 IonicContact NZ-OD1 3.36Å; K401-D478 IonicContact NZ-OD2 3.24Å; K401-D478 PolarHBondContact NZ-OD2 3.02Å
402	F	98.3	Very high	97.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.1	-37.6	175.7	-60.1	-16.6	0	0	0	112.6	Y349 Y358 F361 L382 Y385 Y386 V398 L399 E400 V405 A406 F474	Y349-F402 VanDerWaalsContact OH-CB 3.24Å; Y349-F402 WeakPolarHBondContact OH-CB 3.26Å; Y358-F402 HydrophobicContact CD2-CE2 4.05Å; F361-F402 HydrophobicContact CB-CB 4.35Å; F361-F402 HydrophobicContact CB-CD2 3.86Å; F361-F402 HydrophobicContact CB-CG 4.37Å; F361-F402 HydrophobicContact CD1-CB 3.86Å; F361-F402 AromaticContact CD1-CD1 3.92Å; F361-F402 HydrophobicContact CD1-CD1 3.92Å; F361-F402 AromaticContact CD1-CD2 3.57Å; F361-F402 HydrophobicContact CD1-CD2 3.57Å; F361-F402 HydrophobicContact CD1-CE1 4.34Å; F361-F402 HydrophobicContact CD1-CE2 4.03Å; F361-F402 AromaticContact CD1-CG 3.51Å; F361-F402 HydrophobicContact CD1-CG 3.51Å; F361-F402 HydrophobicContact CD1-CZ 4.39Å; F361-F402 HydrophobicContact CD2-CB 3.86Å; F361-F402 HydrophobicContact CD2-CG 4.43Å; F361-F402 HydrophobicContact CE1-CB 4.07Å; F361-F402 AromaticContact CE1-CD1 3.83Å; F361-F402 HydrophobicContact CE1-CD1 3.83Å; F361-F402 HydrophobicContact CE1-CD2 4.32Å; F361-F402 HydrophobicContact CE1-CE1 4.33Å; F361-F402 AromaticContact CE1-CG 3.82Å; F361-F402 HydrophobicContact CE1-CG 3.82Å; F361-F402 HydrophobicContact CE2-CB 4.06Å; F361-F402 HydrophobicContact CG-CB 3.76Å; F361-F402 AromaticContact CG-CD2 3.83Å; F361-F402 HydrophobicContact CG-CD2 3.83Å; F361-F402 AromaticContact CG-CG 3.86Å; F361-F402 HydrophobicContact CG-CG 3.86Å; F361-F402 HydrophobicContact CZ-CB 4.17Å; F361-F402 HydrophobicContact CZ-CD1 4.49Å; F361-F402 HydrophobicContact CZ-CG 4.4Å; L382-F402 HydrophobicContact CD1-CE1 3.91Å; L382-F402 HydrophobicContact CD1-CZ 3.91Å; Y385-F402 HydrophobicContact CD1-CE1 4.03Å; Y385-F402 HydrophobicContact CD1-CZ 4.23Å; Y385-F402 AromaticContact CE1-CE1 3.86Å; Y385-F402 HydrophobicContact CE1-CE1 3.86Å; Y385-F402 HydrophobicContact CE1-CZ 4.36Å; Y386-F402 AromaticContact CD2-CE2 3.87Å; Y386-F402 HydrophobicContact CD2-CE2 3.87Å; Y386-F402 HydrophobicContact CD2-CZ 4.17Å; V398-F402 HydrophobicContact CG1-CE1 4.07Å; V398-F402 HydrophobicContact CG1-CE2 4.2Å; V398-F402 HydrophobicContact CG1-CZ 3.77Å; V398-F402 WeakPolarHBondContact O-CG 3.26Å; V398-F402 PolarHBondContact O-N 2.94Å; V398-F402 VanDerWaalsContact O-N 3.16Å; L399-F402 HydrophobicContact CD2-CD2 4.34Å; L399-F402 PolarHBondContact O-N 3.34Å; E400-F402 VanDerWaalsContact C-N 3.3Å; E400-F402 PolarHBondContact O-N 3.12Å; F402-V405 PolarHBondContact O-N 2.83Å; F402-A406 PolarHBondContact O-N 2.64Å; F402-F474 HydrophobicContact CD1-CD1 4.22Å; F402-F474 AromaticContact CD1-CE1 3.52Å; F402-F474 HydrophobicContact CD1-CE1 3.52Å; F402-F474 HydrophobicContact CD1-CE2 4.28Å; F402-F474 AromaticContact CD1-CZ 3.56Å; F402-F474 HydrophobicContact CD1-CZ 3.56Å; F402-F474 HydrophobicContact CE1-CD2 4.49Å; F402-F474 AromaticContact CE1-CE1 3.91Å; F402-F474 HydrophobicContact CE1-CE1 3.91Å; F402-F474 AromaticContact CE1-CE2 3.79Å; F402-F474 HydrophobicContact CE1-CE2 3.79Å; F402-F474 AromaticContact CE1-CZ 3.46Å; F402-F474 HydrophobicContact CE1-CZ 3.46Å; F402-F474 VanDerWaalsContact CE1-CZ 3.46Å
403	A	98.2	Very high	97.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-67.9	-34.9	174.3	0	0	0	0	0	113.1	Y349 L350 Y353 L399 E400 K401 V405 A406 R407	Y349-A403 HydrophobicContact CE1-CB 4.44Å; L350-A403 HydrophobicContact CD2-CB 4.03Å; Y353-A403 HydrophobicContact CD1-CB 4.16Å; Y353-A403 HydrophobicContact CD2-CB 3.61Å; Y353-A403 HydrophobicContact CE1-CB 4.07Å; Y353-A403 HydrophobicContact CE2-CB 3.48Å; Y353-A403 VanDerWaalsContact CE2-CB 3.48Å; Y353-A403 HydrophobicContact CG-CB 3.94Å; L399-A403 PolarHBondContact O-N 3.16Å; E400-A403 CarbonylContact O-C 3.56Å; E400-A403 WeakPolarHBondContact O-CA 3.4Å; E400-A403 WeakPolarHBondContact O-CB 3.29Å; E400-A403 PolarHBondContact O-N 2.84Å; K401-A403 VanDerWaalsContact C-N 3.35Å; K401-A403 PolarHBondContact O-N 3.1Å; A403-V405 PolarHBondContact O-N 3.46Å; A403-A406 PolarHBondContact O-N 3.08Å; A403-R407 WeakPolarHBondContact O-CG 3.49Å; A403-R407 PolarHBondContact O-N 2.92Å
404	R	98.5	Very high	96.9	Very high	17 Å²	17	39 Å²	39	6%	0.064	19%	0.186	C	C	.	.	H	α-helix	trans	-58.9	-44	172.8	-67.1	170.8	-170.3	148.6	3.5	111.1	E397 E400 K401 A406 R407 I408 D478	E397-R404 IonicContact OE1-CZ 2.71Å; E397-R404 IonicContact OE1-NH1 3.94Å; E397-R404 PolarHBondContact OE1-NH1 2.94Å; E397-R404 IonicContact OE1-NH2 3.87Å; E397-R404 PolarHBondContact OE1-NH2 3.37Å; E397-R404 IonicContact OE2-CZ 3.24Å; E397-R404 IonicContact OE2-NH1 2.81Å; E397-R404 IonicContact OE2-NH2 2.89Å; E397-R404 PolarHBondContact OE2-NH2 3.19Å; E400-R404 WeakPolarHBondContact O-CG 3.29Å; E400-R404 PolarHBondContact O-N 2.86Å; E400-R404 IonicContact OE1-CZ 2.72Å; E400-R404 IonicContact OE1-NE 2.71Å; E400-R404 PolarHBondContact OE1-NE 3.08Å; E400-R404 IonicContact OE1-NH2 2.71Å; K401-R404 WeakPolarHBondContact O-CB 3.37Å; K401-R404 PolarHBondContact O-N 3.08Å; R404-A406 PolarHBondContact O-N 3.02Å; R404-R407 PolarHBondContact O-N 2.85Å; R404-I408 WeakPolarHBondContact O-CB 3.46Å; R404-I408 WeakPolarHBondContact O-CG1 3.42Å; R404-I408 PolarHBondContact O-N 2.69Å; R404-D478 VanDerWaalsContact CD-OD1 3.22Å; R404-D478 WeakPolarHBondContact CD-OD1 3.38Å; R404-D478 IonicContact CZ-OD1 3.79Å; R404-D478 IonicContact NE-OD1 2.98Å; R404-D478 VanDerWaalsContact NH1-CG 3.26Å; R404-D478 IonicContact NH1-OD1 3.5Å; R404-D478 PolarHBondContact NH1-OD1 2.77Å; R404-D478 IonicContact NH1-OD2 3.94Å
405	V	98.6	Very high	96.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-58.8	-46.6	173.1	-171.5	0	0	0	0	112	K401 F402 A403 R407 I408 A409 A442 F445 F446 F474 F477	K401-V405 PolarHBondContact O-N 3.33Å; F402-V405 PolarHBondContact O-N 2.83Å; A403-V405 PolarHBondContact O-N 3.46Å; V405-R407 PolarHBondContact O-N 2.8Å; V405-I408 PolarHBondContact O-N 3.26Å; V405-A409 WeakPolarHBondContact O-CB 3.4Å; V405-A409 PolarHBondContact O-N 2.79Å; V405-A442 HydrophobicContact CG1-CB 4.2Å; V405-F445 HydrophobicContact CG1-CB 4.28Å; V405-F445 HydrophobicContact CG1-CD2 3.91Å; V405-F445 HydrophobicContact CG1-CE2 4.48Å; V405-F445 HydrophobicContact CG1-CG 3.97Å; V405-F446 HydrophobicContact CG1-CE2 4.21Å; V405-F446 HydrophobicContact CG1-CZ 4.48Å; V405-F474 HydrophobicContact CG2-CD1 3.79Å; V405-F474 HydrophobicContact CG2-CE1 3.66Å; V405-F477 HydrophobicContact CG1-CD2 4.44Å; V405-F477 HydrophobicContact CG1-CE2 4.38Å; V405-F477 HydrophobicContact CG2-CB 4Å; V405-F477 HydrophobicContact CG2-CD2 3.55Å; V405-F477 HydrophobicContact CG2-CE2 4.22Å; V405-F477 HydrophobicContact CG2-CG 3.82Å
406	A	98	Very high	96.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-65.6	-35.8	180	0	0	0	0	0	113.1	L346 Y349 L350 L364 F402 A403 R404 K410 F446	L346-A406 HydrophobicContact CD2-CB 4Å; Y349-A406 HydrophobicContact CD1-CB 3.77Å; Y349-A406 HydrophobicContact CE1-CB 3.85Å; L350-A406 HydrophobicContact CD2-CB 3.93Å; L350-A406 HydrophobicContact CG-CB 4.25Å; L364-A406 HydrophobicContact CD2-CB 4.28Å; F402-A406 PolarHBondContact O-N 2.64Å; A403-A406 PolarHBondContact O-N 3.08Å; R404-A406 PolarHBondContact O-N 3.02Å; A406-K410 PolarHBondContact O-N 2.85Å; A406-K410 VanDerWaalsContact O-N 3.14Å; A406-F446 HydrophobicContact CB-CZ 4.44Å
407	R	97.9	Very high	96.6	Very high	76 Å²	76	28 Å²	28	29%	0.287	14%	0.137	S	C	.	.	H	α-helix	trans	-65.8	-49.4	172.8	-68.5	174.6	-146.7	133.9	3	111.8	L350 Y353 E400 A403 R404 V405 A409 K410 T411	L350-R407 HydrophobicContact CD1-CG 4Å; L350-R407 HydrophobicContact CD2-CG 3.75Å; Y353-R407 PolarHBondContact OH-NH2 2.86Å; E400-R407 IonicContact OE1-CZ 3.17Å; E400-R407 VanDerWaalsContact OE1-CZ 3.29Å; E400-R407 IonicContact OE1-NH1 3.34Å; E400-R407 PolarHBondContact OE1-NH1 2.84Å; E400-R407 IonicContact OE1-NH2 2.63Å; E400-R407 PolarHBondContact OE1-NH2 3.1Å; E400-R407 IonicContact OE2-CZ 2.69Å; E400-R407 IonicContact OE2-NH1 2.67Å; E400-R407 IonicContact OE2-NH2 2.87Å; E400-R407 PolarHBondContact OE2-NH2 2.76Å; A403-R407 WeakPolarHBondContact O-CG 3.49Å; A403-R407 PolarHBondContact O-N 2.92Å; R404-R407 PolarHBondContact O-N 2.85Å; V405-R407 PolarHBondContact O-N 2.8Å; R407-A409 VanDerWaalsContact C-N 3.3Å; R407-A409 PolarHBondContact O-N 2.91Å; R407-K410 WeakPolarHBondContact O-CA 3.37Å; R407-K410 WeakPolarHBondContact O-CB 3.36Å; R407-K410 PolarHBondContact O-N 2.87Å; R407-T411 PolarHBondContact O-N 2.68Å
408	I	98.6	Very high	96	Very high	15 Å²	15	29.3 Å²	29.3	8%	0.077	14%	0.144	C	C	.	.	H	α-helix	trans	-64.3	-35.7	-179.6	-67.5	170.6	0	0	0	110.9	R404 V405 K410 T411 A438 A442 F477 M480	R404-I408 WeakPolarHBondContact O-CB 3.46Å; R404-I408 WeakPolarHBondContact O-CG1 3.42Å; R404-I408 PolarHBondContact O-N 2.69Å; V405-I408 PolarHBondContact O-N 3.26Å; I408-K410 VanDerWaalsContact C-N 3.31Å; I408-K410 PolarHBondContact O-N 3.3Å; I408-T411 PolarHBondContact O-OG1 3.17Å; I408-T411 VanDerWaalsContact O-OG1 3.04Å; I408-A438 VanDerWaalsContact CG2-C 3.42Å; I408-A438 HydrophobicContact CG2-CB 3.76Å; I408-A438 VanDerWaalsContact CG2-O 3.3Å; I408-A438 WeakPolarHBondContact CG2-O 3.47Å; I408-A442 HydrophobicContact CB-CB 4.11Å; I408-A442 HydrophobicContact CG2-CB 3.71Å; I408-F477 HydrophobicContact CD1-CB 4.16Å; I408-F477 HydrophobicContact CD1-CD1 3.85Å; I408-F477 HydrophobicContact CD1-CG 4.49Å; I408-F477 WeakPolarHBondContact CD1-O 3.29Å; I408-F477 HydrophobicContact CG2-CD1 4.29Å; I408-F477 HydrophobicContact CG2-CE1 4.41Å; I408-M480 HydrophobicContact CD1-CB 3.89Å
409	A	97.6	Very high	95.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-65.5	-33	171	0	0	0	0	0	112.5	V405 R407 A412 A442 R443 F446	V405-A409 WeakPolarHBondContact O-CB 3.4Å; V405-A409 PolarHBondContact O-N 2.79Å; R407-A409 VanDerWaalsContact C-N 3.3Å; R407-A409 PolarHBondContact O-N 2.91Å; A409-A412 VanDerWaalsContact O-CB 3.27Å; A409-A412 WeakPolarHBondContact O-CB 3.24Å; A409-A442 HydrophobicContact CB-CB 3.88Å; A409-R443 HydrophobicContact CB-CG 4.47Å; A409-R443 PolarHBondContact O-NE 3.46Å; A409-R443 PolarHBondContact O-NH2 2.86Å; A409-F446 HydrophobicContact CB-CD2 3.73Å; A409-F446 HydrophobicContact CB-CE2 3.55Å
410	K	95.9	Very high	95.3	Very high	63 Å²	63	31.3 Å²	31.3	27%	0.274	15%	0.15	S	C	.	.	H	α-helix	trans	-67.4	-44.7	179.4	-172.2	179.7	174	177.6	0	112.3	D347 A406 R407 I408 A412 E413	D347-K410 VanDerWaalsContact CG-NZ 3.35Å; D347-K410 WeakPolarHBondContact OD1-CE 3.14Å; D347-K410 IonicContact OD1-NZ 3.49Å; D347-K410 PolarHBondContact OD1-NZ 2.8Å; D347-K410 IonicContact OD2-NZ 3.97Å; D347-K410 PolarHBondContact OD2-NZ 2.84Å; A406-K410 PolarHBondContact O-N 2.85Å; A406-K410 VanDerWaalsContact O-N 3.14Å; R407-K410 WeakPolarHBondContact O-CA 3.37Å; R407-K410 WeakPolarHBondContact O-CB 3.36Å; R407-K410 PolarHBondContact O-N 2.87Å; I408-K410 VanDerWaalsContact C-N 3.31Å; I408-K410 PolarHBondContact O-N 3.3Å; K410-A412 PolarHBondContact O-N 3.19Å; K410-E413 PolarHBondContact O-N 3.26Å
411	T	96.5	Very high	95.1	Very high	51 Å²	51	30 Å²	30	31%	0.313	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-13.2	-177.2	63.2	0	0	0	0	114.5	R407 I408 E413 D414 I415	R407-T411 PolarHBondContact O-N 2.68Å; I408-T411 PolarHBondContact O-OG1 3.17Å; I408-T411 VanDerWaalsContact O-OG1 3.04Å; T411-E413 PolarHBondContact O-N 3.12Å; T411-E413 VanDerWaalsContact O-N 3.11Å; T411-D414 WeakPolarHBondContact CA-OD2 3.35Å; T411-D414 PolarHBondContact O-N 3.42Å; T411-I415 WeakPolarHBondContact O-CG1 3.12Å; T411-I415 PolarHBondContact O-N 2.9Å
412	A	95.3	Very high	94.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-50.5	-30.2	173.4	0	0	0	0	0	114.3	W326 A409 K410 L416 A439 R443	W326-A412 HydrophobicContact CB-CB 3.82Å; W326-A412 HydrophobicContact CG-CB 4.15Å; A409-A412 VanDerWaalsContact O-CB 3.27Å; A409-A412 WeakPolarHBondContact O-CB 3.24Å; K410-A412 PolarHBondContact O-N 3.19Å; A412-L416 HydrophobicContact CB-CD1 3.77Å; A412-L416 HydrophobicContact CB-CG 4.36Å; A412-L416 VanDerWaalsContact O-CB 3.3Å; A412-L416 WeakPolarHBondContact O-CB 3.37Å; A412-L416 WeakPolarHBondContact O-CG 3.29Å; A412-L416 PolarHBondContact O-N 3.25Å; A412-A439 HydrophobicContact CB-CB 4.1Å; A412-R443 HydrophobicContact CB-CG 4.43Å
413	E	92	Very high	94.8	Very high	35 Å²	35	30.5 Å²	30.5	16%	0.164	15%	0.146	C	C	.	.	H	α-helix	trans	-64.3	-47.1	174.1	174.8	169.3	-126.8	0	0	112.1	R327 Y339 K343 K410 T411	R327-E413 PolarHBondContact NH1-O 3.31Å; Y339-E413 PolarHBondContact OH-OE1 2.95Å; Y339-E413 PolarHBondContact OH-OE2 2.8Å; K343-E413 WeakPolarHBondContact CE-OE2 3.37Å; K343-E413 IonicContact NZ-OE1 2.68Å; K343-E413 PolarHBondContact NZ-OE1 2.93Å; K343-E413 IonicContact NZ-OE2 2.72Å; K343-E413 PolarHBondContact NZ-OE2 2.78Å; K410-E413 PolarHBondContact O-N 3.26Å; T411-E413 PolarHBondContact O-N 3.12Å; T411-E413 VanDerWaalsContact O-N 3.11Å
414	D	93.7	Very high	94.4	Very high	117 Å²	117	31.1 Å²	31.1	63%	0.626	15%	0.149	S	C	*	.	H	α-helix	trans	-79.9	-40.3	-171.9	-43.2	-72.9	0	0	0	112.6	T411	T411-D414 WeakPolarHBondContact CA-OD2 3.35Å; T411-D414 PolarHBondContact O-N 3.42Å
415	I	95.2	Very high	93.9	Very high	57 Å²	57	33.2 Å²	33.2	29%	0.292	18%	0.176	S	C	.	.	H	α-helix	trans	-104.3	-19.4	-165.9	78.4	179.3	0	0	0	115.1	T411 K435 Q436 A439	T411-I415 WeakPolarHBondContact O-CG1 3.12Å; T411-I415 PolarHBondContact O-N 2.9Å; I415-K435 HydrophobicContact CD1-CB 4.22Å; I415-K435 VanDerWaalsContact CD1-O 3.31Å; I415-K435 WeakPolarHBondContact CD1-O 3.31Å; I415-Q436 HydrophobicContact CD1-CG 4.47Å; I415-Q436 HydrophobicContact CG1-CG 4.21Å; I415-Q436 WeakPolarHBondContact O-CG 3.32Å; I415-Q436 PolarHBondContact O-NE2 2.89Å; I415-A439 HydrophobicContact CD1-CB 3.96Å; I415-A439 HydrophobicContact CG1-CB 4.31Å
416	L	94.9	Very high	93.4	Very high	9 Å²	9	36.8 Å²	36.8	5%	0.047	20%	0.195	C	C	.	.	S	Bend	trans	-80.5	154.3	176.4	-62.9	178.9	0	0	0	110.2	W326 R327 A412 I420 Q436 L440	W326-L416 HydrophobicContact CD2-CD1 3.81Å; W326-L416 HydrophobicContact CE3-CD1 4.43Å; W326-L416 HydrophobicContact CG-CD1 4.04Å; W326-L416 HydrophobicContact CZ2-CD1 3.99Å; R327-L416 PolarHBondContact NH2-O 3.19Å; A412-L416 HydrophobicContact CB-CD1 3.77Å; A412-L416 HydrophobicContact CB-CG 4.36Å; A412-L416 VanDerWaalsContact O-CB 3.3Å; A412-L416 WeakPolarHBondContact O-CB 3.37Å; A412-L416 WeakPolarHBondContact O-CG 3.29Å; A412-L416 PolarHBondContact O-N 3.25Å; L416-I420 HydrophobicContact CD2-CD1 4.32Å; L416-Q436 HydrophobicContact CD2-CB 3.88Å; L416-Q436 HydrophobicContact CD2-CG 4.08Å; L416-L440 HydrophobicContact CD1-CD2 3.74Å; L416-L440 HydrophobicContact CD1-CG 4.2Å; L416-L440 HydrophobicContact CD2-CD1 4.4Å; L416-L440 HydrophobicContact CD2-CD2 4.34Å; L416-L440 HydrophobicContact CD2-CG 4.02Å
417	P	90.5	Very high	93.2	Very high	29 Å²	29	36.8 Å²	36.8	19%	0.188	20%	0.196	C	C	.	.			trans	-70.2	168.6	173.7	34.5	-42.1	0	0	0	111.7	Y297 R327 R419 I420	Y297-P417 HydrophobicContact CD1-CB 3.73Å; Y297-P417 HydrophobicContact CD1-CG 3.45Å; Y297-P417 VanDerWaalsContact CD1-CG 3.45Å; Y297-P417 HydrophobicContact CE1-CG 4.14Å; Y297-P417 HydrophobicContact CG-CB 4.35Å; Y297-P417 HydrophobicContact CG-CG 3.79Å; R327-P417 PolarHBondContact NH2-O 2.9Å; P417-R419 VanDerWaalsContact CG-O 3.3Å; P417-R419 WeakPolarHBondContact CG-O 3.36Å; P417-R419 PolarHBondContact O-N 3.22Å; P417-I420 HydrophobicContact CG-CD1 4.25Å; P417-I420 HydrophobicContact CG-CG1 3.46Å; P417-I420 VanDerWaalsContact CG-CG1 3.46Å
418	E	85.1	Confident	93	Very high	88 Å²	88	36 Å²	36	41%	0.411	20%	0.195	S	C	.	.	S	Bend	trans	-53.2	-54.4	173.9	-172.1	-155.6	131.1	0	0	110.5	Q324	Q324-E418 PolarHBondContact NE2-O 3.23Å; Q324-E418 VanDerWaalsContact NE2-O 3.14Å
419	R	88.5	Confident	93	Very high	48 Å²	48	35.3 Å²	35.3	18%	0.181	19%	0.192	C	C	.	.			trans	-120.5	141.7	-179.6	-47.6	-167.2	-173	179.8	1.8	109.8	Y297 L310 R311 V321 P417 Y421	Y297-R419 WeakPolarHBondContact CE1-O 3.47Å; L310-R419 HydrophobicContact CD2-CG 4.37Å; R311-R419 PolarHBondContact O-NH1 3.14Å; R311-R419 VanDerWaalsContact O-NH1 3.08Å; V321-R419 HydrophobicContact CG1-CB 3.97Å; V321-R419 HydrophobicContact CG1-CG 4.45Å; P417-R419 VanDerWaalsContact CG-O 3.3Å; P417-R419 WeakPolarHBondContact CG-O 3.36Å; P417-R419 PolarHBondContact O-N 3.22Å; R419-Y421 HydrophobicContact CB-CE1 4.16Å; R419-Y421 HydrophobicContact CB-CE2 4.38Å; R419-Y421 WeakPolarHBondContact CD-OH 3.46Å
420	I	92.9	Very high	93	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.192	C	C	.	.			trans	-118.9	121	165.7	-56.1	173.7	0	0	0	106	Y297 L322 W326 L416 P417 L440 L568	Y297-I420 HydrophobicContact CE2-CG2 4.07Å; L322-I420 HydrophobicContact CB-CB 4.35Å; L322-I420 HydrophobicContact CD1-CB 3.9Å; L322-I420 HydrophobicContact CD1-CD1 4.35Å; L322-I420 HydrophobicContact CD1-CG2 3.67Å; L322-I420 HydrophobicContact CG-CB 4.16Å; L322-I420 HydrophobicContact CG-CG2 4.16Å; L322-I420 PolarHBondContact N-O 2.86Å; W326-I420 HydrophobicContact CH2-CD1 4.11Å; W326-I420 HydrophobicContact CZ2-CD1 3.86Å; W326-I420 HydrophobicContact CZ2-CG1 4.36Å; L416-I420 HydrophobicContact CD2-CD1 4.32Å; P417-I420 HydrophobicContact CG-CD1 4.25Å; P417-I420 HydrophobicContact CG-CG1 3.46Å; P417-I420 VanDerWaalsContact CG-CG1 3.46Å; I420-L440 HydrophobicContact CD1-CD1 4.08Å; I420-L440 HydrophobicContact CD1-CD2 4.02Å; I420-L568 HydrophobicContact CG2-CD2 3.6Å
421	Y	93.2	Very high	93.1	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.016	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-86.4	141	178.4	-55.4	-70.1	0	0	0	111.7	Y295 Y297 L310 R311 I320 V321 R419 L568	Y295-Y421 AromaticContact CD1-CD2 3.77Å; Y295-Y421 HydrophobicContact CD1-CD2 3.77Å; Y295-Y421 AromaticContact CD1-CE2 3.88Å; Y295-Y421 HydrophobicContact CD1-CE2 3.88Å; Y295-Y421 AromaticContact CD2-CD2 3.76Å; Y295-Y421 HydrophobicContact CD2-CD2 3.76Å; Y295-Y421 AromaticContact CE1-CD2 3.59Å; Y295-Y421 HydrophobicContact CE1-CD2 3.59Å; Y295-Y421 AromaticContact CE1-CE2 3.4Å; Y295-Y421 HydrophobicContact CE1-CE2 3.4Å; Y295-Y421 AromaticContact CE2-CD2 3.56Å; Y295-Y421 HydrophobicContact CE2-CD2 3.56Å; Y295-Y421 HydrophobicContact CE2-CE2 4.13Å; Y295-Y421 HydrophobicContact CE2-CG 4.23Å; Y295-Y421 AromaticContact CG-CD2 3.86Å; Y295-Y421 HydrophobicContact CG-CD2 3.86Å; Y295-Y421 HydrophobicContact CG-CE2 4.44Å; Y295-Y421 AromaticContact CZ-CD2 3.48Å; Y295-Y421 VanDerWaalsContact CZ-CD2 3.48Å; Y295-Y421 AromaticContact CZ-CE2 3.53Å; Y297-Y421 WeakPolarHBondContact OH-CD2 3.26Å; Y297-Y421 PolarHBondContact OH-N 2.94Å; L310-Y421 WeakPolarHBondContact CA-OH 3.45Å; R311-Y421 HydrophobicContact CB-CD1 4.32Å; R311-Y421 HydrophobicContact CB-CE1 3.7Å; R311-Y421 HydrophobicContact CG-CE1 4.39Å; R311-Y421 PolarHBondContact N-OH 3.03Å; I320-Y421 HydrophobicContact CG2-CD1 4.1Å; I320-Y421 CarbonylContact O-C 3.59Å; I320-Y421 WeakPolarHBondContact O-CA 3.26Å; V321-Y421 HydrophobicContact CG2-CD1 3.92Å; V321-Y421 HydrophobicContact CG2-CE1 3.8Å; R419-Y421 HydrophobicContact CB-CE1 4.16Å; R419-Y421 HydrophobicContact CB-CE2 4.38Å; R419-Y421 WeakPolarHBondContact CD-OH 3.46Å; Y421-L568 WeakPolarHBondContact O-CD2 3.42Å
422	R	94.6	Very high	93.2	Very high	30 Å²	30	29.9 Å²	29.9	11%	0.113	16%	0.164	C	C	.	.			trans	-71.4	150.9	167	-76.3	176.3	149.5	-84.3	-11.3	109.9	K319 I320 L322 V424 V427 L567 L568 C569	K319-R422 WeakPolarHBondContact O-CD 3.24Å; I320-R422 PolarHBondContact O-N 3.46Å; L322-R422 HydrophobicContact CD2-CG 3.61Å; L322-R422 HydrophobicContact CG-CG 4.46Å; R422-V424 HydrophobicContact CB-CG1 4.14Å; R422-V424 HydrophobicContact CB-CG2 4.11Å; R422-V424 PolarHBondContact O-N 3.19Å; R422-V427 WeakPolarHBondContact O-CB 3.47Å; R422-V427 WeakPolarHBondContact O-CG1 3.19Å; R422-L567 PolarHBondContact NE-O 2.93Å; R422-L567 PolarHBondContact NH2-O 2.78Å; R422-L568 CarbonylContact C-O 3.3Å; R422-L568 WeakPolarHBondContact CA-O 3.42Å; R422-L568 WeakPolarHBondContact CB-O 3.44Å; R422-C569 PolarHBondContact NH1-O 3.48Å
423	L	95.3	Very high	93.3	Very high	2 Å²	2	31 Å²	31	1%	0.01	17%	0.172	C	C	.	.	S	Bend	trans	-80.5	70	177.9	-51.4	-172.5	0	0	0	109.5	V427 A430 F491 L493 L568	L423-V427 HydrophobicContact CD2-CG1 3.93Å; L423-A430 HydrophobicContact CD2-CB 3.98Å; L423-F491 HydrophobicContact CD1-CB 4.17Å; L423-L493 HydrophobicContact CB-CB 3.86Å; L423-L493 HydrophobicContact CB-CD2 4.33Å; L423-L493 HydrophobicContact CD1-CB 4.17Å; L423-L493 WeakPolarHBondContact O-CD2 3.29Å; L423-L568 HydrophobicContact CG-CB 4.31Å; L423-L568 PolarHBondContact N-O 3.48Å
424	V	90.6	Very high	93.6	Very high	12 Å²	12	29.4 Å²	29.4	7%	0.073	16%	0.164	C	C	.	.			trans	-126.6	155	-176.9	-65.6	0	0	0	0	110.5	I320 R422 D426 V427 E570	I320-V424 HydrophobicContact CG2-CG2 4.31Å; R422-V424 HydrophobicContact CB-CG1 4.14Å; R422-V424 HydrophobicContact CB-CG2 4.11Å; R422-V424 PolarHBondContact O-N 3.19Å; V424-D426 PolarHBondContact O-N 2.9Å; V424-V427 WeakPolarHBondContact O-CB 3.32Å; V424-V427 PolarHBondContact O-N 2.9Å; V424-E570 VanDerWaalsContact CG1-CD 3.46Å; V424-E570 HydrophobicContact CG1-CG 3.75Å
425	G	87	Confident	93.9	Very high	61 Å²	61	27.8 Å²	27.8	63%	0.629	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.1	-119.3	-176	0	0	0	0	0	112.2	K495	G425-K495 PolarHBondContact O-NZ 3.18Å
426	D	88.4	Confident	94	Very high	75 Å²	75	25.6 Å²	25.6	40%	0.401	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-2	179.2	66.3	-51.1	0	0	0	114.2	R293 R311 V424 E428	R293-D426 WeakPolarHBondContact CB-O 3.2Å; R293-D426 WeakPolarHBondContact CG-O 3.41Å; R293-D426 PolarHBondContact NE-O 2.66Å; R311-D426 IonicContact CZ-OD1 2.72Å; R311-D426 IonicContact CZ-OD2 2.66Å; R311-D426 VanDerWaalsContact NH1-CG 3.26Å; R311-D426 IonicContact NH1-OD1 2.67Å; R311-D426 PolarHBondContact NH1-OD1 2.93Å; R311-D426 IonicContact NH1-OD2 3.5Å; R311-D426 PolarHBondContact NH1-OD2 2.66Å; R311-D426 IonicContact NH2-OD1 2.84Å; R311-D426 IonicContact NH2-OD2 2.62Å; R311-D426 PolarHBondContact NH2-OD2 3.29Å; V424-D426 PolarHBondContact O-N 2.9Å; D426-E428 PolarHBondContact O-N 2.94Å
427	V	93.4	Very high	94.2	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.006	14%	0.138	C	C	.	.			trans	-73.4	115.5	171	-174.3	0	0	0	0	109.1	Y295 R422 L423 V424	Y295-V427 HydrophobicContact CD2-CG1 4.01Å; Y295-V427 HydrophobicContact CE2-CG1 4.24Å; Y295-V427 HydrophobicContact CE2-CG2 4.43Å; R422-V427 WeakPolarHBondContact O-CB 3.47Å; R422-V427 WeakPolarHBondContact O-CG1 3.19Å; L423-V427 HydrophobicContact CD2-CG1 3.93Å; V424-V427 WeakPolarHBondContact O-CB 3.32Å; V424-V427 PolarHBondContact O-N 2.9Å
428	E	94.9	Very high	94.6	Very high	60 Å²	60	23.9 Å²	23.9	28%	0.28	13%	0.129	S	C	.	.			trans	-99.2	-40.9	-171	-67.3	180	148.9	0	0	112.7	R293 N294 D426 R492 L493	R293-E428 HydrophobicContact CB-CG 4.39Å; R293-E428 IonicContact CZ-OE1 2.73Å; R293-E428 VanDerWaalsContact CZ-OE1 3.26Å; R293-E428 IonicContact NE-OE1 2.84Å; R293-E428 IonicContact NH1-OE1 3.8Å; R293-E428 VanDerWaalsContact NH2-CD 3.29Å; R293-E428 IonicContact NH2-OE1 3.23Å; R293-E428 PolarHBondContact NH2-OE1 3.19Å; R293-E428 PolarHBondContact O-N 2.84Å; N294-E428 PolarHBondContact ND2-OE2 3.37Å; D426-E428 PolarHBondContact O-N 2.94Å; E428-R492 CarbonylContact O-C 3.54Å; E428-R492 VanDerWaalsContact O-CA 3.29Å; E428-R492 WeakPolarHBondContact O-CA 3.49Å; E428-L493 PolarHBondContact O-N 2.89Å
429	S	97.4	Very high	95.2	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	162	-176.9	71.7	0	0	0	0	115.6	R293 N294 Y295 F491	R293-S429 PolarHBondContact O-N 3.15Å; N294-S429 WeakPolarHBondContact CA-OG 3.4Å; N294-S429 VanDerWaalsContact CB-OG 3.23Å; N294-S429 WeakPolarHBondContact CB-OG 3.45Å; N294-S429 VanDerWaalsContact CG-OG 3.28Å; N294-S429 WeakPolarHBondContact OD1-CB 3.44Å; N294-S429 PolarHBondContact OD1-OG 3.05Å; Y295-S429 PolarHBondContact N-O 3.11Å; S429-F491 CarbonylContact C-O 3.47Å; S429-F491 WeakPolarHBondContact CA-O 3.2Å; S429-F491 WeakPolarHBondContact CB-O 3.35Å
430	A	97.6	Very high	95.7	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	121.8	178.3	0	0	0	0	0	109.6	Y295 Y297 L423 L432 S490 F491 L568	Y295-A430 CarbonylContact O-C 3.43Å; Y295-A430 VanDerWaalsContact O-CA 3.25Å; Y295-A430 WeakPolarHBondContact O-CA 3.16Å; Y297-A430 HydrophobicContact CE2-CB 3.83Å; L423-A430 HydrophobicContact CD2-CB 3.98Å; A430-L432 HydrophobicContact CB-CD1 4.1Å; A430-S490 WeakPolarHBondContact O-CA 3.42Å; A430-F491 PolarHBondContact N-O 2.71Å; A430-F491 PolarHBondContact O-N 2.9Å; A430-L568 HydrophobicContact CB-CD1 3.85Å; A430-L568 HydrophobicContact CB-CD2 4.2Å
431	T	98.2	Very high	96	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	122.4	175.4	-54.9	0	0	0	0	110.4	Y295 Y297 A488 V489 S490	Y295-T431 PolarHBondContact O-N 3.24Å; Y297-T431 PolarHBondContact N-O 2.88Å; T431-A488 HydrophobicContact CG2-CB 3.97Å; T431-V489 WeakPolarHBondContact CA-O 3.14Å; T431-S490 WeakPolarHBondContact CG2-OG 3.39Å; T431-S490 PolarHBondContact OG1-OG 3.04Å
432	L	98.2	Very high	96.2	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	156.2	-177.8	-64.1	92.9	0	0	0	110	Y297 A430 Q436 L440 A488 V489 F491 V564 L568	Y297-L432 HydrophobicContact CD2-CD1 4.15Å; Y297-L432 HydrophobicContact CD2-CG 4Å; A430-L432 HydrophobicContact CB-CD1 4.1Å; L432-Q436 HydrophobicContact CB-CB 4.12Å; L432-Q436 HydrophobicContact CD2-CB 4.21Å; L432-L440 HydrophobicContact CD2-CD1 3.66Å; L432-A488 CarbonylContact O-C 3.57Å; L432-A488 WeakPolarHBondContact O-CA 3.5Å; L432-A488 VanDerWaalsContact O-CB 3.29Å; L432-A488 WeakPolarHBondContact O-CB 3.41Å; L432-V489 PolarHBondContact N-O 3.16Å; L432-V489 PolarHBondContact O-N 3.38Å; L432-F491 HydrophobicContact CD1-CD2 4.02Å; L432-F491 HydrophobicContact CD1-CE2 4.1Å; L432-V564 HydrophobicContact CD2-CG1 4.48Å; L432-L568 HydrophobicContact CD1-CD1 4.25Å
433	S	98.2	Very high	96.3	Very high	24 Å²	24	17.4 Å²	17.4	17%	0.168	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	155.9	169.4	69.5	0	0	0	0	111.2	K435 Q436 C437 G487	S433-K435 PolarHBondContact O-N 3.17Å; S433-K435 VanDerWaalsContact O-N 3.15Å; S433-Q436 WeakPolarHBondContact O-CA 3.15Å; S433-Q436 WeakPolarHBondContact O-CB 3.09Å; S433-Q436 PolarHBondContact O-N 2.79Å; S433-Q436 WeakPolarHBondContact OG-CG 3.29Å; S433-Q436 PolarHBondContact OG-N 2.99Å; S433-C437 PolarHBondContact O-N 2.95Å; S433-C437 PolarHBondContact O-SG 3.22Å; S433-G487 WeakPolarHBondContact CA-O 3.26Å
434	H	98.4	Very high	96.4	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-50.4	-41	173.9	-63	-70.9	0	0	0	112	C437 A438 M480 P485 D486 G487 E561 G582 R614	H434-C437 WeakPolarHBondContact O-CB 3.47Å; H434-C437 PolarHBondContact O-N 3.13Å; H434-A438 PolarHBondContact O-N 3.41Å; H434-M480 HydrophobicContact CB-CE 4.04Å; H434-M480 WeakPolarHBondContact O-CE 3.33Å; H434-P485 HydrophobicContact CB-CG 4.07Å; H434-P485 WeakPolarHBondContact CB-O 3.28Å; H434-P485 PolarHBondContact CD2-O 3.41Å; H434-P485 VanDerWaalsContact CD2-O 3.26Å; H434-D486 PolarHBondContact CD2-O 3.42Å; H434-D486 VanDerWaalsContact CD2-O 3.3Å; H434-D486 PolarHBondContact NE2-O 3.49Å; H434-G487 VanDerWaalsContact CD2-C 3.43Å; H434-E561 WeakPolarHBondContact CA-OE1 3.4Å; H434-E561 WeakPolarHBondContact CB-OE1 3.34Å; H434-E561 IonicContact CE1-OE2 3.87Å; H434-E561 IonicContact CG-OE1 2.72Å; H434-E561 VanDerWaalsContact ND1-CD 3.26Å; H434-E561 IonicContact ND1-OE1 3.67Å; H434-E561 PolarHBondContact ND1-OE1 3.01Å; H434-E561 IonicContact ND1-OE2 3.96Å; H434-E561 PolarHBondContact ND1-OE2 3.44Å; H434-G582 PolarHBondContact CE1-O 2.83Å; H434-R614 PolarHBondContact NE2-NH1 2.81Å; H434-R614 VanDerWaalsContact NE2-NH1 3.14Å
435	K	98.4	Very high	96.7	Very high	83 Å²	83	17 Å²	17	36%	0.361	10%	0.098	S	C	.	.	H	α-helix	trans	-62.7	-41.9	176.1	-67.9	157.4	-178	160.8	0	112.4	I415 S433 A438 A439 M480 P484 D486	I415-K435 HydrophobicContact CD1-CB 4.22Å; I415-K435 VanDerWaalsContact CD1-O 3.31Å; I415-K435 WeakPolarHBondContact CD1-O 3.31Å; S433-K435 PolarHBondContact O-N 3.17Å; S433-K435 VanDerWaalsContact O-N 3.15Å; K435-A438 PolarHBondContact O-N 3.39Å; K435-A439 PolarHBondContact O-N 3.1Å; K435-A439 VanDerWaalsContact O-N 3.15Å; K435-M480 HydrophobicContact CG-CE 4.16Å; K435-P484 HydrophobicContact CD-CG 4.49Å; K435-P484 HydrophobicContact CG-CB 4.08Å; K435-P484 HydrophobicContact CG-CG 4.43Å; K435-D486 IonicContact NZ-OD1 3.95Å; K435-D486 PolarHBondContact NZ-OD1 3.1Å
436	Q	98.4	Very high	97.1	Very high	11 Å²	11	14.5 Å²	14.5	5%	0.051	7%	0.071	C	C	.	.	H	α-helix	trans	-66.5	-39.4	173.5	-73.4	173.4	-29.9	0	0	112.2	Y297 I415 L416 L432 S433 A439 L440	Y297-Q436 PolarHBondContact O-NE2 3.1Å; I415-Q436 HydrophobicContact CD1-CG 4.47Å; I415-Q436 HydrophobicContact CG1-CG 4.21Å; I415-Q436 WeakPolarHBondContact O-CG 3.32Å; I415-Q436 PolarHBondContact O-NE2 2.89Å; L416-Q436 HydrophobicContact CD2-CB 3.88Å; L416-Q436 HydrophobicContact CD2-CG 4.08Å; L432-Q436 HydrophobicContact CB-CB 4.12Å; L432-Q436 HydrophobicContact CD2-CB 4.21Å; S433-Q436 WeakPolarHBondContact O-CA 3.15Å; S433-Q436 WeakPolarHBondContact O-CB 3.09Å; S433-Q436 PolarHBondContact O-N 2.79Å; S433-Q436 WeakPolarHBondContact OG-CG 3.29Å; S433-Q436 PolarHBondContact OG-N 2.99Å; Q436-A439 PolarHBondContact O-N 3.48Å; Q436-L440 PolarHBondContact O-N 2.83Å
437	C	98.8	Very high	97.3	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-59.2	-47.4	173.4	-65.6	0	0	0	0	111	S433 H434 A439 L440 V441 E561 V564	S433-C437 PolarHBondContact O-N 2.95Å; S433-C437 PolarHBondContact O-SG 3.22Å; H434-C437 WeakPolarHBondContact O-CB 3.47Å; H434-C437 PolarHBondContact O-N 3.13Å; C437-A439 VanDerWaalsContact C-N 3.34Å; C437-A439 PolarHBondContact O-N 3.03Å; C437-L440 PolarHBondContact O-N 2.98Å; C437-L440 VanDerWaalsContact O-N 3.11Å; C437-V441 WeakPolarHBondContact O-CG2 3.28Å; C437-V441 PolarHBondContact O-N 2.93Å; C437-E561 HydrophobicContact CB-CB 4.15Å; C437-E561 HydrophobicContact CB-CG 4.18Å; C437-V564 HydrophobicContact CB-CG2 3.85Å
438	A	98.8	Very high	97.2	Very high	1 Å²	1	15 Å²	15	1%	0.008	7%	0.071	C	C	.	.	H	α-helix	trans	-60.4	-39.6	178.7	0	0	0	0	0	113.1	I408 H434 K435 L440 V441 A442 Y476 M480	I408-A438 VanDerWaalsContact CG2-C 3.42Å; I408-A438 HydrophobicContact CG2-CB 3.76Å; I408-A438 VanDerWaalsContact CG2-O 3.3Å; I408-A438 WeakPolarHBondContact CG2-O 3.47Å; H434-A438 PolarHBondContact O-N 3.41Å; K435-A438 PolarHBondContact O-N 3.39Å; A438-L440 VanDerWaalsContact C-N 3.34Å; A438-L440 PolarHBondContact O-N 3.48Å; A438-V441 PolarHBondContact O-N 3.43Å; A438-A442 WeakPolarHBondContact O-CB 3.25Å; A438-A442 PolarHBondContact O-N 2.82Å; A438-Y476 WeakPolarHBondContact CA-OH 3.41Å; A438-Y476 HydrophobicContact CB-CE1 4.29Å; A438-Y476 WeakPolarHBondContact CB-OH 3.4Å; A438-Y476 PolarHBondContact N-OH 3.36Å; A438-M480 HydrophobicContact CB-CB 4.07Å; A438-M480 HydrophobicContact CB-CE 3.78Å; A438-M480 HydrophobicContact CB-CG 3.87Å
439	A	98.5	Very high	97	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-62.8	-37.6	175.1	0	0	0	0	0	113	A412 I415 K435 Q436 C437 R443	A412-A439 HydrophobicContact CB-CB 4.1Å; I415-A439 HydrophobicContact CD1-CB 3.96Å; I415-A439 HydrophobicContact CG1-CB 4.31Å; K435-A439 PolarHBondContact O-N 3.1Å; K435-A439 VanDerWaalsContact O-N 3.15Å; Q436-A439 PolarHBondContact O-N 3.48Å; C437-A439 VanDerWaalsContact C-N 3.34Å; C437-A439 PolarHBondContact O-N 3.03Å; A439-R443 WeakPolarHBondContact O-CG 3.37Å; A439-R443 PolarHBondContact O-N 3.26Å
440	L	98.4	Very high	96.6	Very high	5 Å²	5	17.9 Å²	17.9	3%	0.026	9%	0.089	C	C	.	.	H	α-helix	trans	-69.9	-45.4	175.2	-70.2	171.3	0	0	0	112.2	W326 L416 I420 L432 Q436 C437 A438 R443 M444 V564 L567	W326-L440 HydrophobicContact CH2-CD2 4.3Å; W326-L440 HydrophobicContact CZ3-CD2 4.36Å; L416-L440 HydrophobicContact CD1-CD2 3.74Å; L416-L440 HydrophobicContact CD1-CG 4.2Å; L416-L440 HydrophobicContact CD2-CD1 4.4Å; L416-L440 HydrophobicContact CD2-CD2 4.34Å; L416-L440 HydrophobicContact CD2-CG 4.02Å; I420-L440 HydrophobicContact CD1-CD1 4.08Å; I420-L440 HydrophobicContact CD1-CD2 4.02Å; L432-L440 HydrophobicContact CD2-CD1 3.66Å; Q436-L440 PolarHBondContact O-N 2.83Å; C437-L440 PolarHBondContact O-N 2.98Å; C437-L440 VanDerWaalsContact O-N 3.11Å; A438-L440 VanDerWaalsContact C-N 3.34Å; A438-L440 PolarHBondContact O-N 3.48Å; L440-R443 WeakPolarHBondContact O-CB 3.38Å; L440-R443 PolarHBondContact O-N 3.13Å; L440-M444 PolarHBondContact O-N 3.19Å; L440-V564 HydrophobicContact CB-CG2 4.16Å; L440-V564 HydrophobicContact CD1-CG1 3.74Å; L440-V564 HydrophobicContact CD1-CG2 4.32Å; L440-L567 HydrophobicContact CB-CD1 3.94Å; L440-L567 HydrophobicContact CD2-CD1 4.45Å
441	V	98.6	Very high	96.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-69.1	-35.6	179	-174.5	0	0	0	0	111	C437 A438 R443 M444 F455 Y476 F477 M563 V564	C437-V441 WeakPolarHBondContact O-CG2 3.28Å; C437-V441 PolarHBondContact O-N 2.93Å; A438-V441 PolarHBondContact O-N 3.43Å; V441-R443 VanDerWaalsContact C-N 3.28Å; V441-R443 PolarHBondContact O-N 2.84Å; V441-M444 HydrophobicContact CG1-SD 4.35Å; V441-M444 VanDerWaalsContact O-CB 3.3Å; V441-M444 WeakPolarHBondContact O-CB 3.31Å; V441-M444 PolarHBondContact O-N 2.92Å; V441-F455 HydrophobicContact CG1-CE2 3.94Å; V441-F455 HydrophobicContact CG1-CZ 3.87Å; V441-F455 WeakPolarHBondContact O-CE2 3.33Å; V441-Y476 HydrophobicContact CB-CE1 4.2Å; V441-Y476 HydrophobicContact CG1-CE1 4.25Å; V441-F477 HydrophobicContact CB-CZ 4.31Å; V441-F477 HydrophobicContact CG1-CZ 3.97Å; V441-M563 HydrophobicContact CG1-SD 4.34Å; V441-M563 HydrophobicContact CG2-CB 4.25Å; V441-V564 HydrophobicContact CG2-CG2 3.82Å
442	A	98.5	Very high	96	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62.9	-34.3	172.4	0	0	0	0	0	112.2	V405 I408 A409 A438 M444 F445 F446 F477	V405-A442 HydrophobicContact CG1-CB 4.2Å; I408-A442 HydrophobicContact CB-CB 4.11Å; I408-A442 HydrophobicContact CG2-CB 3.71Å; A409-A442 HydrophobicContact CB-CB 3.88Å; A438-A442 WeakPolarHBondContact O-CB 3.25Å; A438-A442 PolarHBondContact O-N 2.82Å; A442-M444 PolarHBondContact O-N 3.14Å; A442-F445 PolarHBondContact O-N 2.79Å; A442-F446 WeakPolarHBondContact O-CD2 3.4Å; A442-F477 HydrophobicContact CB-CD1 4.36Å; A442-F477 HydrophobicContact CB-CE1 3.62Å; A442-F477 HydrophobicContact CB-CZ 4.07Å
443	R	96.4	Very high	95.8	Very high	30 Å²	30	25.1 Å²	25.1	11%	0.113	13%	0.132	C	C	.	.	H	α-helix	trans	-67.3	-20	174.3	-71.5	-81.7	175.3	156.3	-2.4	113.1	R325 A409 A412 A439 L440 V441 F445 F446 A447	R325-R443 PolarHBondContact O-NH1 3.05Å; R325-R443 VanDerWaalsContact O-NH1 3.07Å; A409-R443 HydrophobicContact CB-CG 4.47Å; A409-R443 PolarHBondContact O-NE 3.46Å; A409-R443 PolarHBondContact O-NH2 2.86Å; A412-R443 HydrophobicContact CB-CG 4.43Å; A439-R443 WeakPolarHBondContact O-CG 3.37Å; A439-R443 PolarHBondContact O-N 3.26Å; L440-R443 WeakPolarHBondContact O-CB 3.38Å; L440-R443 PolarHBondContact O-N 3.13Å; V441-R443 VanDerWaalsContact C-N 3.28Å; V441-R443 PolarHBondContact O-N 2.84Å; R443-F445 VanDerWaalsContact C-N 3.29Å; R443-F445 PolarHBondContact O-N 2.92Å; R443-F446 CarbonylContact O-C 3.35Å; R443-F446 PolarHBondContact O-N 2.58Å; R443-F446 VanDerWaalsContact O-N 3.09Å; R443-A447 PolarHBondContact O-N 2.76Å
444	M	97.5	Very high	95.6	Very high	4 Å²	4	24 Å²	24	2%	0.02	12%	0.124	C	C	.	.	H	α-helix	trans	-69.3	-21.9	174.5	-64.8	169.3	61.4	0	0	113.3	L440 V441 A442 F446 F453 F455 L545 M563 L567	L440-M444 PolarHBondContact O-N 3.19Å; V441-M444 HydrophobicContact CG1-SD 4.35Å; V441-M444 VanDerWaalsContact O-CB 3.3Å; V441-M444 WeakPolarHBondContact O-CB 3.31Å; V441-M444 PolarHBondContact O-N 2.92Å; A442-M444 PolarHBondContact O-N 3.14Å; M444-F446 VanDerWaalsContact C-N 3.27Å; M444-F453 VanDerWaalsContact CB-O 3.28Å; M444-F453 WeakPolarHBondContact CB-O 3.34Å; M444-F453 HydrophobicContact CE-CB 4.46Å; M444-F453 WeakPolarHBondContact CE-O 3.45Å; M444-F453 WeakPolarHBondContact CG-O 3.34Å; M444-F455 HydrophobicContact CB-CD2 3.6Å; M444-F455 HydrophobicContact CB-CE2 3.57Å; M444-F455 HydrophobicContact CB-CG 4.42Å; M444-F455 HydrophobicContact CB-CZ 4.35Å; M444-F455 HydrophobicContact CE-CE1 4.4Å; M444-F455 HydrophobicContact CE-CE2 4.47Å; M444-F455 HydrophobicContact CE-CZ 4.16Å; M444-F455 PolarHBondContact O-N 3.46Å; M444-L545 HydrophobicContact CE-CD1 3.89Å; M444-L545 HydrophobicContact CE-CD2 3.74Å; M444-L545 HydrophobicContact CE-CG 4.45Å; M444-M563 HydrophobicContact CE-CB 4.28Å; M444-M563 HydrophobicContact CE-SD 4.44Å; M444-M563 HydrophobicContact SD-CB 4.24Å; M444-L567 HydrophobicContact SD-CD1 4.45Å
445	F	97.4	Very high	95.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-65.6	-35.9	168.5	-88.1	-102.7	0	0	0	111.2	F361 L365 W369 V405 A442 R443 F455 L459 L470 L473 F474 F477	F361-F445 HydrophobicContact CZ-CD1 4.19Å; L365-F445 HydrophobicContact CD2-CB 4.2Å; L365-F445 HydrophobicContact CD2-CD1 4.36Å; L365-F445 WeakPolarHBondContact CD2-O 3.39Å; W369-F445 PolarHBondContact NE1-O 2.9Å; V405-F445 HydrophobicContact CG1-CB 4.28Å; V405-F445 HydrophobicContact CG1-CD2 3.91Å; V405-F445 HydrophobicContact CG1-CE2 4.48Å; V405-F445 HydrophobicContact CG1-CG 3.97Å; A442-F445 PolarHBondContact O-N 2.79Å; R443-F445 VanDerWaalsContact C-N 3.29Å; R443-F445 PolarHBondContact O-N 2.92Å; F445-F455 AromaticContact CD2-CD2 3.22Å; F445-F455 HydrophobicContact CD2-CD2 3.22Å; F445-F455 AromaticContact CD2-CE2 3.63Å; F445-F455 HydrophobicContact CD2-CE2 3.63Å; F445-F455 HydrophobicContact CD2-CG 4.22Å; F445-F455 AromaticContact CE2-CD2 3.36Å; F445-F455 HydrophobicContact CE2-CD2 3.36Å; F445-F455 AromaticContact CE2-CE2 3.57Å; F445-F455 HydrophobicContact CE2-CE2 3.57Å; F445-F455 HydrophobicContact CE2-CG 4.13Å; F445-F455 HydrophobicContact CE2-CZ 4.49Å; F445-F455 AromaticContact CG-CD2 3.97Å; F445-F455 HydrophobicContact CG-CD2 3.97Å; F445-F455 HydrophobicContact CZ-CD2 4.26Å; F445-L459 HydrophobicContact CD1-CD1 4.09Å; F445-L459 HydrophobicContact CD1-CD2 4.49Å; F445-L459 HydrophobicContact CE1-CD1 4.33Å; F445-L459 HydrophobicContact CE1-CD2 3.97Å; F445-L470 HydrophobicContact CZ-CD2 4.34Å; F445-L473 HydrophobicContact CZ-CD1 4.49Å; F445-F474 HydrophobicContact CE1-CE1 4.05Å; F445-F474 AromaticContact CE1-CZ 3.77Å; F445-F474 HydrophobicContact CE1-CZ 3.77Å; F445-F474 HydrophobicContact CZ-CE1 4.12Å; F445-F474 HydrophobicContact CZ-CZ 4.03Å; F445-F477 HydrophobicContact CD2-CE2 4.18Å; F445-F477 AromaticContact CE2-CE2 3.66Å; F445-F477 HydrophobicContact CE2-CE2 3.66Å; F445-F477 HydrophobicContact CE2-CZ 4.37Å; F445-F477 HydrophobicContact CZ-CE2 4.5Å
446	F	95.2	Very high	95.5	Very high	10 Å²	10	20.1 Å²	20.1	4%	0.044	11%	0.108	C	C	.	.	S	Bend	trans	-99.6	5.2	-173.3	-55	-62.6	0	0	0	113.3	L346 F361 L364 L365 M368 V405 A406 A409 A442 R443 M444	L346-F446 HydrophobicContact CD2-CE2 4.19Å; L346-F446 HydrophobicContact CD2-CZ 4.12Å; F361-F446 HydrophobicContact CE2-CE1 4.41Å; F361-F446 HydrophobicContact CE2-CZ 4.24Å; L364-F446 HydrophobicContact CD2-CE1 3.65Å; L364-F446 HydrophobicContact CD2-CZ 3.95Å; L364-F446 HydrophobicContact CG-CE1 3.85Å; L365-F446 HydrophobicContact CD2-CD1 3.94Å; L365-F446 HydrophobicContact CD2-CE1 3.84Å; M368-F446 HydrophobicContact CB-CB 4.01Å; M368-F446 HydrophobicContact CB-CD1 3.85Å; M368-F446 HydrophobicContact CB-CG 4.34Å; M368-F446 HydrophobicContact CE-CB 3.68Å; M368-F446 HydrophobicContact CE-CD1 4.06Å; M368-F446 HydrophobicContact CE-CD2 4.41Å; M368-F446 HydrophobicContact CE-CG 3.78Å; M368-F446 HydrophobicContact CG-CB 4.47Å; M368-F446 HydrophobicContact CG-CD1 3.74Å; M368-F446 HydrophobicContact CG-CE1 4.44Å; M368-F446 HydrophobicContact CG-CG 4.37Å; V405-F446 HydrophobicContact CG1-CE2 4.21Å; V405-F446 HydrophobicContact CG1-CZ 4.48Å; A406-F446 HydrophobicContact CB-CZ 4.44Å; A409-F446 HydrophobicContact CB-CD2 3.73Å; A409-F446 HydrophobicContact CB-CE2 3.55Å; A442-F446 WeakPolarHBondContact O-CD2 3.4Å; R443-F446 CarbonylContact O-C 3.35Å; R443-F446 PolarHBondContact O-N 2.58Å; R443-F446 VanDerWaalsContact O-N 3.09Å; M444-F446 VanDerWaalsContact C-N 3.27Å
447	A	92.8	Very high	95.3	Very high	20 Å²	20	24.5 Å²	24.5	17%	0.165	12%	0.124	C	C	.	.	S	Bend	trans	-75.3	134	172.3	0	0	0	0	0	110.4	W369 R443 S454	W369-A447 PolarHBondContact NE1-O 2.83Å; R443-A447 PolarHBondContact O-N 2.76Å; A447-S454 WeakPolarHBondContact O-CB 3.27Å; A447-S454 PolarHBondContact O-OG 3.39Å
448	R	90.9	Very high	95.2	Very high	66 Å²	66	24.5 Å²	24.5	25%	0.249	12%	0.124	C	C	.	.			trans	-44.7	139.6	172.8	-63.9	177	55.1	82.8	-0.6	111.7	E370 D450 S451 S454	E370-R448 HydrophobicContact CB-CG 4.28Å; E370-R448 VanDerWaalsContact CB-NH1 3.31Å; E370-R448 PolarHBondContact O-NH1 2.91Å; E370-R448 WeakPolarHBondContact OE1-CD 3.36Å; E370-R448 VanDerWaalsContact OE1-CG 3.25Å; E370-R448 WeakPolarHBondContact OE1-CG 3.34Å; R448-D450 WeakPolarHBondContact CB-OD1 3.49Å; R448-D450 IonicContact CZ-OD2 3.48Å; R448-D450 IonicContact NE-OD1 2.66Å; R448-D450 PolarHBondContact NE-OD1 3.14Å; R448-D450 VanDerWaalsContact NE-OD1 3.08Å; R448-D450 IonicContact NE-OD2 3.34Å; R448-D450 PolarHBondContact NE-OD2 2.86Å; R448-D450 IonicContact NH2-OD2 2.73Å; R448-D450 PolarHBondContact NH2-OD2 3.15Å; R448-D450 PolarHBondContact O-N 2.87Å; R448-S451 WeakPolarHBondContact O-CB 3.45Å; R448-S451 PolarHBondContact O-N 3.19Å; R448-S454 WeakPolarHBondContact O-CB 3.36Å
449	P	90.1	Very high	95.2	Very high	18 Å²	18	24.5 Å²	24.5	12%	0.117	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-14.5	-177.3	-28.1	39.3	0	0	0	116.6	W369 F371 S451 C456	W369-P449 HydrophobicContact CD2-CG 3.88Å; W369-P449 HydrophobicContact CE3-CG 3.99Å; W369-P449 HydrophobicContact CG-CG 4.13Å; F371-P449 VanDerWaalsContact CE2-CD 3.46Å; F371-P449 HydrophobicContact CE2-CG 3.53Å; F371-P449 HydrophobicContact CZ-CB 4.14Å; F371-P449 VanDerWaalsContact CZ-CD 3.44Å; F371-P449 HydrophobicContact CZ-CG 3.52Å; P449-S451 VanDerWaalsContact C-N 3.27Å; P449-C456 HydrophobicContact CB-CB 3.7Å; P449-C456 HydrophobicContact CG-CB 3.55Å; P449-C456 WeakPolarHBondContact CG-SG 3.22Å
450	D	89.2	Confident	95.1	Very high	103 Å²	103	26.7 Å²	26.7	55%	0.551	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-22.1	167.9	56.3	9	0	0	0	112.4	R448	R448-D450 WeakPolarHBondContact CB-OD1 3.49Å; R448-D450 IonicContact CZ-OD2 3.48Å; R448-D450 IonicContact NE-OD1 2.66Å; R448-D450 PolarHBondContact NE-OD1 3.14Å; R448-D450 VanDerWaalsContact NE-OD1 3.08Å; R448-D450 IonicContact NE-OD2 3.34Å; R448-D450 PolarHBondContact NE-OD2 2.86Å; R448-D450 IonicContact NH2-OD2 2.73Å; R448-D450 PolarHBondContact NH2-OD2 3.15Å; R448-D450 PolarHBondContact O-N 2.87Å
451	S	91.2	Very high	95	Very high	29 Å²	29	26.7 Å²	26.7	20%	0.203	14%	0.14	C	C	.	.	S	Bend	trans	-64.1	131.5	172.6	-176.4	0	0	0	0	110.9	R448 P449 F453 S454	R448-S451 WeakPolarHBondContact O-CB 3.45Å; R448-S451 PolarHBondContact O-N 3.19Å; P449-S451 VanDerWaalsContact C-N 3.27Å; S451-F453 PolarHBondContact O-N 2.88Å; S451-F453 PolarHBondContact OG-N 2.79Å; S451-S454 PolarHBondContact O-N 2.72Å
452	P	91.4	Very high	94.8	Very high	75 Å²	75	31.6 Å²	31.6	49%	0.487	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-11.2	172.9	28.8	-35.3	0	0	0	112.8	L545	P452-L545 VanDerWaalsContact O-CD1 3.3Å; P452-L545 WeakPolarHBondContact O-CD1 3.39Å
453	F	94.4	Very high	94.7	Very high	47 Å²	47	36.4 Å²	36.4	21%	0.206	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	14.5	-179.5	-46.9	-61.7	0	0	0	113.7	M444 S451 M566 L567	M444-F453 VanDerWaalsContact CB-O 3.28Å; M444-F453 WeakPolarHBondContact CB-O 3.34Å; M444-F453 HydrophobicContact CE-CB 4.46Å; M444-F453 WeakPolarHBondContact CE-O 3.45Å; M444-F453 WeakPolarHBondContact CG-O 3.34Å; S451-F453 PolarHBondContact O-N 2.88Å; S451-F453 PolarHBondContact OG-N 2.79Å; F453-M566 HydrophobicContact CD1-CB 4.17Å; F453-M566 HydrophobicContact CE1-CB 4.14Å; F453-M566 WeakPolarHBondContact CE1-O 3.39Å; F453-M566 WeakPolarHBondContact CZ-O 3.37Å; F453-L567 HydrophobicContact CB-CD2 3.7Å; F453-L567 HydrophobicContact CD1-CD2 3.99Å; F453-L567 HydrophobicContact CD2-CD2 3.86Å; F453-L567 HydrophobicContact CG-CD2 3.56Å
454	S	94.9	Very high	94.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.205	C	C	.	.			trans	-86.8	131.5	179	-175.2	0	0	0	0	112.5	A447 R448 S451 C456	A447-S454 WeakPolarHBondContact O-CB 3.27Å; A447-S454 PolarHBondContact O-OG 3.39Å; R448-S454 WeakPolarHBondContact O-CB 3.36Å; S451-S454 PolarHBondContact O-N 2.72Å; S454-C456 PolarHBondContact O-N 2.99Å; S454-C456 VanDerWaalsContact OG-CB 3.26Å; S454-C456 WeakPolarHBondContact OG-CB 3.25Å; S454-C456 PolarHBondContact OG-N 3.43Å; S454-C456 VanDerWaalsContact OG-N 3.13Å
455	F	97.6	Very high	94.7	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-4.8	168.5	-73.5	-56	0	0	0	113.7	V441 M444 F445 R457 I458 L459 L473 L545 M563	V441-F455 HydrophobicContact CG1-CE2 3.94Å; V441-F455 HydrophobicContact CG1-CZ 3.87Å; V441-F455 WeakPolarHBondContact O-CE2 3.33Å; M444-F455 HydrophobicContact CB-CD2 3.6Å; M444-F455 HydrophobicContact CB-CE2 3.57Å; M444-F455 HydrophobicContact CB-CG 4.42Å; M444-F455 HydrophobicContact CB-CZ 4.35Å; M444-F455 HydrophobicContact CE-CE1 4.4Å; M444-F455 HydrophobicContact CE-CE2 4.47Å; M444-F455 HydrophobicContact CE-CZ 4.16Å; M444-F455 PolarHBondContact O-N 3.46Å; F445-F455 AromaticContact CD2-CD2 3.22Å; F445-F455 HydrophobicContact CD2-CD2 3.22Å; F445-F455 AromaticContact CD2-CE2 3.63Å; F445-F455 HydrophobicContact CD2-CE2 3.63Å; F445-F455 HydrophobicContact CD2-CG 4.22Å; F445-F455 AromaticContact CE2-CD2 3.36Å; F445-F455 HydrophobicContact CE2-CD2 3.36Å; F445-F455 AromaticContact CE2-CE2 3.57Å; F445-F455 HydrophobicContact CE2-CE2 3.57Å; F445-F455 HydrophobicContact CE2-CG 4.13Å; F445-F455 HydrophobicContact CE2-CZ 4.49Å; F445-F455 AromaticContact CG-CD2 3.97Å; F445-F455 HydrophobicContact CG-CD2 3.97Å; F445-F455 HydrophobicContact CZ-CD2 4.26Å; F455-R457 PolarHBondContact O-N 3.04Å; F455-R457 VanDerWaalsContact O-N 3.08Å; F455-I458 HydrophobicContact CD1-CD1 3.66Å; F455-I458 HydrophobicContact CD1-CG1 4.36Å; F455-I458 HydrophobicContact CE1-CD1 4.13Å; F455-I458 WeakPolarHBondContact O-CB 3.41Å; F455-I458 PolarHBondContact O-N 3.16Å; F455-L459 HydrophobicContact CB-CD1 4.25Å; F455-L459 WeakPolarHBondContact O-CG 3.3Å; F455-L459 PolarHBondContact O-N 3.23Å; F455-L473 HydrophobicContact CD1-CD1 3.83Å; F455-L473 HydrophobicContact CE1-CD1 3.52Å; F455-L473 HydrophobicContact CE1-CD2 3.88Å; F455-L473 HydrophobicContact CE1-CG 4.38Å; F455-L473 HydrophobicContact CE2-CD1 4.47Å; F455-L473 HydrophobicContact CE2-CD2 4.41Å; F455-L473 HydrophobicContact CG-CD1 4.45Å; F455-L473 HydrophobicContact CZ-CD1 3.88Å; F455-L473 HydrophobicContact CZ-CD2 3.58Å; F455-L473 HydrophobicContact CZ-CG 4.4Å; F455-L545 HydrophobicContact CD1-CD2 3.46Å; F455-L545 VanDerWaalsContact CD1-CD2 3.46Å; F455-L545 HydrophobicContact CE1-CD2 3.3Å; F455-L545 HydrophobicContact CZ-CD2 4.28Å; F455-M563 HydrophobicContact CE1-CE 4.42Å; F455-M563 HydrophobicContact CE1-SD 3.75Å; F455-M563 HydrophobicContact CZ-SD 3.59Å; F455-M563 VanDerWaalsContact CZ-SD 3.59Å
456	C	95.3	Very high	94.8	Very high	3 Å²	3	39 Å²	39	2%	0.02	21%	0.208	C	C	.	.	H	α-helix	trans	-49.6	-38.4	178.2	-175.4	0	0	0	0	112.6	W369 P449 S454 I458 L459 S460	W369-C456 HydrophobicContact CH2-CB 3.91Å; W369-C456 WeakPolarHBondContact CH2-SG 3.27Å; W369-C456 HydrophobicContact CZ2-CB 3.74Å; P449-C456 HydrophobicContact CB-CB 3.7Å; P449-C456 HydrophobicContact CG-CB 3.55Å; P449-C456 WeakPolarHBondContact CG-SG 3.22Å; S454-C456 PolarHBondContact O-N 2.99Å; S454-C456 VanDerWaalsContact OG-CB 3.26Å; S454-C456 WeakPolarHBondContact OG-CB 3.25Å; S454-C456 PolarHBondContact OG-N 3.43Å; S454-C456 VanDerWaalsContact OG-N 3.13Å; C456-I458 VanDerWaalsContact C-N 3.33Å; C456-I458 PolarHBondContact O-N 3Å; C456-L459 CarbonylContact O-C 3.51Å; C456-L459 PolarHBondContact O-N 2.78Å; C456-L459 VanDerWaalsContact O-N 3.08Å; C456-S460 WeakPolarHBondContact O-CB 3.37Å; C456-S460 PolarHBondContact O-N 2.82Å; C456-S460 PolarHBondContact O-OG 3.19Å; C456-S460 VanDerWaalsContact O-OG 3.09Å
457	R	94.9	Very high	94.9	Very high	104 Å²	104	38.5 Å²	38.5	39%	0.392	21%	0.206	S	C	.	.	H	α-helix	trans	-66.9	-27.9	179.6	-59	-177	-168.7	-177	2.9	114.2	F455 L545 N546	F455-R457 PolarHBondContact O-N 3.04Å; F455-R457 VanDerWaalsContact O-N 3.08Å; R457-L545 VanDerWaalsContact CB-O 3.3Å; R457-L545 WeakPolarHBondContact CB-O 3.23Å; R457-N546 WeakPolarHBondContact CD-OD1 3.36Å; R457-N546 PolarHBondContact NH1-OD1 3.21Å; R457-N546 VanDerWaalsContact NH1-OD1 3.08Å
458	I	97.9	Very high	95.2	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-72	-52	166.4	-55	-173	0	0	0	108.7	A381 F455 C456 S460 S461 C466 K469 L470 L473 L545	A381-I458 WeakPolarHBondContact CB-O 3.46Å; F455-I458 HydrophobicContact CD1-CD1 3.66Å; F455-I458 HydrophobicContact CD1-CG1 4.36Å; F455-I458 HydrophobicContact CE1-CD1 4.13Å; F455-I458 WeakPolarHBondContact O-CB 3.41Å; F455-I458 PolarHBondContact O-N 3.16Å; C456-I458 VanDerWaalsContact C-N 3.33Å; C456-I458 PolarHBondContact O-N 3Å; I458-S460 VanDerWaalsContact C-N 3.31Å; I458-S460 PolarHBondContact O-N 2.82Å; I458-S461 VanDerWaalsContact O-CB 3.32Å; I458-S461 WeakPolarHBondContact O-CB 3.26Å; I458-S461 PolarHBondContact O-N 2.86Å; I458-C466 HydrophobicContact CG2-CB 3.75Å; I458-C466 WeakPolarHBondContact CG2-O 3.13Å; I458-C466 WeakPolarHBondContact O-CB 3.48Å; I458-K469 HydrophobicContact CD1-CB 4.27Å; I458-K469 HydrophobicContact CD1-CD 4.02Å; I458-K469 HydrophobicContact CG2-CB 4.09Å; I458-L470 HydrophobicContact CG2-CD2 4.13Å; I458-L470 HydrophobicContact CG2-CG 4.06Å; I458-L473 HydrophobicContact CD1-CD1 3.95Å; I458-L545 WeakPolarHBondContact CG1-O 3.26Å; I458-L545 PolarHBondContact N-O 3.08Å
459	L	97.8	Very high	95.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61.8	-35.1	-172	-61.2	164.9	0	0	0	113.1	L365 W369 L379 A381 L382 F445 F455 C456 L470	L365-L459 HydrophobicContact CD1-CD1 4.24Å; W369-L459 HydrophobicContact CH2-CD1 4.26Å; W369-L459 HydrophobicContact CZ2-CD1 3.92Å; L379-L459 CarbonylContact C-O 3.49Å; L379-L459 WeakPolarHBondContact CA-O 3.42Å; L379-L459 HydrophobicContact CD2-CB 4.03Å; A381-L459 PolarHBondContact N-O 2.53Å; L382-L459 HydrophobicContact CB-CD2 3.9Å; L382-L459 HydrophobicContact CD1-CD2 3.83Å; L382-L459 HydrophobicContact CD2-CD2 4.15Å; L382-L459 HydrophobicContact CG-CD2 4.14Å; L382-L459 PolarHBondContact N-O 2.63Å; F445-L459 HydrophobicContact CD1-CD1 4.09Å; F445-L459 HydrophobicContact CD1-CD2 4.49Å; F445-L459 HydrophobicContact CE1-CD1 4.33Å; F445-L459 HydrophobicContact CE1-CD2 3.97Å; F455-L459 HydrophobicContact CB-CD1 4.25Å; F455-L459 WeakPolarHBondContact O-CG 3.3Å; F455-L459 PolarHBondContact O-N 3.23Å; C456-L459 CarbonylContact O-C 3.51Å; C456-L459 PolarHBondContact O-N 2.78Å; C456-L459 VanDerWaalsContact O-N 3.08Å; L459-L470 HydrophobicContact CD2-CD1 4.18Å; L459-L470 HydrophobicContact CD2-CD2 3.63Å
460	S	95.6	Very high	96	Very high	46 Å²	46	34 Å²	34	32%	0.322	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	0.2	-179.3	75.7	0	0	0	0	114.6	K378 C456 I458	K378-S460 WeakPolarHBondContact O-CB 3.17Å; C456-S460 WeakPolarHBondContact O-CB 3.37Å; C456-S460 PolarHBondContact O-N 2.82Å; C456-S460 PolarHBondContact O-OG 3.19Å; C456-S460 VanDerWaalsContact O-OG 3.09Å; I458-S460 VanDerWaalsContact C-N 3.31Å; I458-S460 PolarHBondContact O-N 2.82Å
461	S	96.4	Very high	96.4	Very high	6 Å²	6	30.3 Å²	30.3	4%	0.042	16%	0.162	C	C	.	.			trans	-76.9	142.4	-176.9	-178	0	0	0	0	112.4	P380 A381 I458 K463 C466 H547	P380-S461 WeakPolarHBondContact CG-O 3.13Å; A381-S461 WeakPolarHBondContact CB-O 3.26Å; A381-S461 PolarHBondContact N-O 2.9Å; A381-S461 VanDerWaalsContact N-O 3.16Å; I458-S461 VanDerWaalsContact O-CB 3.32Å; I458-S461 WeakPolarHBondContact O-CB 3.26Å; I458-S461 PolarHBondContact O-N 2.86Å; S461-K463 VanDerWaalsContact C-N 3.35Å; S461-K463 PolarHBondContact OG-N 3.05Å; S461-C466 WeakPolarHBondContact CB-SG 3.19Å; S461-C466 PolarHBondContact OG-SG 3.45Å; S461-H547 WeakPolarHBondContact CB-NE2 3.49Å; S461-H547 PolarHBondContact OG-CD2 3.38Å; S461-H547 PolarHBondContact OG-NE2 2.91Å
462	D	95.8	Very high	96.8	Very high	103 Å²	103	28.9 Å²	28.9	55%	0.551	15%	0.152	S	C	*	.			trans	-83.6	-10.9	171.8	71.3	-40.3	0	0	0	113
463	K	96.3	Very high	97.1	Very high	101 Å²	101	25.3 Å²	25.3	44%	0.439	13%	0.129	S	C	.	.	S	Bend	trans	-83.9	130.9	-173.4	-48.9	-52.6	176.7	-152.8	0	111.6	S461 I465 C466 H547	S461-K463 VanDerWaalsContact C-N 3.35Å; S461-K463 PolarHBondContact OG-N 3.05Å; K463-I465 HydrophobicContact CB-CG2 3.76Å; K463-I465 PolarHBondContact O-N 2.87Å; K463-I465 VanDerWaalsContact O-N 3.11Å; K463-C466 WeakPolarHBondContact O-CB 3.39Å; K463-C466 PolarHBondContact O-N 3.35Å; K463-H547 WeakPolarHBondContact CG-NE2 3.46Å
464	S	95.9	Very high	97.4	Very high	72 Å²	72	23.1 Å²	23.1	50%	0.503	12%	0.119	S	C	.	.	H	α-helix	trans	-51.9	-34	177.5	52.6	0	0	0	0	114.1	C466 V467 E468	S464-C466 PolarHBondContact O-N 3.29Å; S464-C466 VanDerWaalsContact O-N 3.15Å; S464-V467 WeakPolarHBondContact O-CB 3.43Å; S464-V467 PolarHBondContact O-N 3.12Å; S464-E468 PolarHBondContact O-N 3.35Å
465	I	97.7	Very high	97.5	Very high	15 Å²	15	24.8 Å²	24.8	8%	0.077	13%	0.13	C	C	.	.	H	α-helix	trans	-53.3	-33.2	173.5	-173.2	58.4	0	0	0	113	K463 E468 K469 L596	K463-I465 HydrophobicContact CB-CG2 3.76Å; K463-I465 PolarHBondContact O-N 2.87Å; K463-I465 VanDerWaalsContact O-N 3.11Å; I465-E468 PolarHBondContact O-N 2.69Å; I465-K469 WeakPolarHBondContact O-CG 3.5Å; I465-K469 PolarHBondContact O-N 2.89Å; I465-L596 HydrophobicContact CD1-CB 3.71Å; I465-L596 HydrophobicContact CD1-CD2 3.96Å; I465-L596 HydrophobicContact CD1-CG 4.16Å
466	C	98.4	Very high	97.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-74.4	-26.3	178.5	-66.2	0	0	0	0	112.6	A381 I458 S461 K463 S464 L470	A381-C466 HydrophobicContact CB-CB 3.92Å; I458-C466 HydrophobicContact CG2-CB 3.75Å; I458-C466 WeakPolarHBondContact CG2-O 3.13Å; I458-C466 WeakPolarHBondContact O-CB 3.48Å; S461-C466 WeakPolarHBondContact CB-SG 3.19Å; S461-C466 PolarHBondContact OG-SG 3.45Å; K463-C466 WeakPolarHBondContact O-CB 3.39Å; K463-C466 PolarHBondContact O-N 3.35Å; S464-C466 PolarHBondContact O-N 3.29Å; S464-C466 VanDerWaalsContact O-N 3.15Å; C466-L470 WeakPolarHBondContact O-CG 3.22Å; C466-L470 PolarHBondContact O-N 3Å; C466-L470 VanDerWaalsContact O-N 3.13Å
467	V	98.5	Very high	97.8	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.006	13%	0.129	C	C	.	.	H	α-helix	trans	-69.9	-40	170.1	179.4	0	0	0	0	110.8	A381 M384 Y385 S464 L470 K471	A381-V467 HydrophobicContact CB-CG2 4.13Å; M384-V467 HydrophobicContact CB-CG2 3.9Å; M384-V467 HydrophobicContact CE-CG2 3.48Å; M384-V467 VanDerWaalsContact CE-CG2 3.48Å; M384-V467 HydrophobicContact CG-CG2 4.02Å; Y385-V467 HydrophobicContact CD2-CG1 4.47Å; S464-V467 WeakPolarHBondContact O-CB 3.43Å; S464-V467 PolarHBondContact O-N 3.12Å; V467-L470 PolarHBondContact O-N 2.9Å; V467-K471 PolarHBondContact O-N 3.08Å
468	E	98.5	Very high	97.9	Very high	10 Å²	10	20.5 Å²	20.5	5%	0.047	11%	0.114	C	C	.	.	H	α-helix	trans	-61.8	-45	173	-60.7	-61	148.3	0	0	111.2	S464 I465 L470 K471 F472 K597 W598	S464-E468 PolarHBondContact O-N 3.35Å; I465-E468 PolarHBondContact O-N 2.69Å; E468-L470 VanDerWaalsContact C-N 3.26Å; E468-L470 PolarHBondContact O-N 2.85Å; E468-K471 WeakPolarHBondContact O-CA 3.46Å; E468-K471 WeakPolarHBondContact O-CB 2.99Å; E468-K471 PolarHBondContact O-N 2.87Å; E468-K471 IonicContact OE1-NZ 3.29Å; E468-K471 PolarHBondContact OE1-NZ 3.04Å; E468-K471 IonicContact OE2-NZ 2.69Å; E468-F472 VanDerWaalsContact O-CD2 3.24Å; E468-F472 WeakPolarHBondContact O-CD2 3.08Å; E468-F472 PolarHBondContact O-N 2.74Å; E468-K597 HydrophobicContact CG-CD 3.82Å; E468-K597 WeakPolarHBondContact OE1-CD 3.34Å; E468-K597 IonicContact OE1-NZ 3.93Å; E468-K597 PolarHBondContact OE1-NZ 3.34Å; E468-W598 PolarHBondContact OE2-N 3.23Å
469	K	98.8	Very high	97.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-55.4	-37.9	172.5	-70.7	-172.5	177.6	-167.5	0	113.5	I458 I465 K471 F472 L473 G543 V544 N546 G548 L557	I458-K469 HydrophobicContact CD1-CB 4.27Å; I458-K469 HydrophobicContact CD1-CD 4.02Å; I458-K469 HydrophobicContact CG2-CB 4.09Å; I465-K469 WeakPolarHBondContact O-CG 3.5Å; I465-K469 PolarHBondContact O-N 2.89Å; K469-K471 VanDerWaalsContact C-N 3.32Å; K469-K471 PolarHBondContact O-N 2.84Å; K469-F472 PolarHBondContact O-N 2.83Å; K469-L473 WeakPolarHBondContact O-CG 3.47Å; K469-L473 PolarHBondContact O-N 2.88Å; K469-G543 PolarHBondContact NZ-O 3.01Å; K469-V544 PolarHBondContact NZ-O 3.22Å; K469-N546 PolarHBondContact NZ-O 2.94Å; K469-G548 WeakPolarHBondContact CE-O 3.29Å; K469-G548 PolarHBondContact NZ-O 2.91Å; K469-L557 HydrophobicContact CB-CD2 3.97Å; K469-L557 HydrophobicContact CD-CD1 4.3Å; K469-L557 HydrophobicContact CD-CD2 4.31Å; K469-L557 HydrophobicContact CG-CD1 3.79Å; K469-L557 HydrophobicContact CG-CD2 3.82Å; K469-L557 HydrophobicContact CG-CG 4.46Å
470	L	98.8	Very high	98	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-66.6	-32.6	175.2	-68.4	172.9	0	0	0	112.2	A381 L382 Y385 F445 I458 L459 C466 V467 E468 L473 F474	A381-L470 HydrophobicContact CB-CD1 4.2Å; L382-L470 HydrophobicContact CB-CD1 4.44Å; L382-L470 HydrophobicContact CD1-CD1 4.39Å; Y385-L470 HydrophobicContact CD2-CB 3.61Å; Y385-L470 HydrophobicContact CE2-CB 4.14Å; Y385-L470 HydrophobicContact CG-CB 3.95Å; Y385-L470 HydrophobicContact CG-CD1 4.29Å; F445-L470 HydrophobicContact CZ-CD2 4.34Å; I458-L470 HydrophobicContact CG2-CD2 4.13Å; I458-L470 HydrophobicContact CG2-CG 4.06Å; L459-L470 HydrophobicContact CD2-CD1 4.18Å; L459-L470 HydrophobicContact CD2-CD2 3.63Å; C466-L470 WeakPolarHBondContact O-CG 3.22Å; C466-L470 PolarHBondContact O-N 3Å; C466-L470 VanDerWaalsContact O-N 3.13Å; V467-L470 PolarHBondContact O-N 2.9Å; E468-L470 VanDerWaalsContact C-N 3.26Å; E468-L470 PolarHBondContact O-N 2.85Å; L470-L473 HydrophobicContact CD2-CD1 4.48Å; L470-L473 PolarHBondContact O-N 2.89Å; L470-F474 HydrophobicContact CB-CD2 4.02Å; L470-F474 HydrophobicContact CB-CE2 3.96Å; L470-F474 HydrophobicContact CD2-CE2 3.87Å; L470-F474 HydrophobicContact CD2-CZ 4.48Å; L470-F474 HydrophobicContact CG-CE2 4.34Å; L470-F474 WeakPolarHBondContact O-CB 3.21Å; L470-F474 WeakPolarHBondContact O-CD2 3.28Å; L470-F474 PolarHBondContact O-N 2.94Å
471	K	98.8	Very high	98.1	Very high	24 Å²	24	24.3 Å²	24.3	10%	0.104	13%	0.131	C	C	.	.	H	α-helix	trans	-62.1	-42.6	173.3	-62.4	167.5	-170.2	169.8	0	111.7	Y385 E388 M389 V467 E468 K469 T475 W598	Y385-K471 HydrophobicContact CD2-CG 4Å; Y385-K471 HydrophobicContact CE2-CB 4.38Å; Y385-K471 HydrophobicContact CE2-CG 3.72Å; E388-K471 VanDerWaalsContact OE2-CE 3.28Å; E388-K471 WeakPolarHBondContact OE2-CE 3.41Å; E388-K471 IonicContact OE2-NZ 3.21Å; E388-K471 PolarHBondContact OE2-NZ 3.05Å; M389-K471 HydrophobicContact SD-CG 4.37Å; V467-K471 PolarHBondContact O-N 3.08Å; E468-K471 WeakPolarHBondContact O-CA 3.46Å; E468-K471 WeakPolarHBondContact O-CB 2.99Å; E468-K471 PolarHBondContact O-N 2.87Å; E468-K471 IonicContact OE1-NZ 3.29Å; E468-K471 PolarHBondContact OE1-NZ 3.04Å; E468-K471 IonicContact OE2-NZ 2.69Å; K469-K471 VanDerWaalsContact C-N 3.32Å; K469-K471 PolarHBondContact O-N 2.84Å; K471-T475 VanDerWaalsContact O-CB 3.29Å; K471-T475 WeakPolarHBondContact O-CB 3.48Å; K471-T475 PolarHBondContact O-N 3.21Å; K471-T475 VanDerWaalsContact O-N 3.16Å; K471-T475 PolarHBondContact O-OG1 3.28Å; K471-W598 HydrophobicContact CB-CB 3.54Å; K471-W598 HydrophobicContact CB-CD2 3.79Å; K471-W598 HydrophobicContact CB-CE3 4.19Å; K471-W598 HydrophobicContact CB-CG 3.49Å; K471-W598 VanDerWaalsContact CB-CG 3.49Å; K471-W598 HydrophobicContact CD-CB 4.25Å
472	F	98.9	Very high	98	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-59.7	-53.7	170.5	-68.8	-91.9	0	0	0	112	E468 K469 F474 T475 Y476 L557 M558 S588 L596 W598	E468-F472 VanDerWaalsContact O-CD2 3.24Å; E468-F472 WeakPolarHBondContact O-CD2 3.08Å; E468-F472 PolarHBondContact O-N 2.74Å; K469-F472 PolarHBondContact O-N 2.83Å; F472-F474 PolarHBondContact O-N 2.86Å; F472-T475 PolarHBondContact O-N 3.14Å; F472-Y476 PolarHBondContact O-N 2.95Å; F472-L557 HydrophobicContact CB-CB 4.13Å; F472-L557 HydrophobicContact CB-CD2 4.1Å; F472-L557 HydrophobicContact CD1-CB 3.77Å; F472-L557 WeakPolarHBondContact CD1-O 3.48Å; F472-L557 HydrophobicContact CD2-CB 4.13Å; F472-L557 HydrophobicContact CD2-CD1 4.44Å; F472-L557 HydrophobicContact CD2-CD2 4.36Å; F472-L557 HydrophobicContact CE1-CB 4.19Å; F472-L557 HydrophobicContact CG-CB 3.76Å; F472-L557 HydrophobicContact CG-CD2 4.33Å; F472-M558 HydrophobicContact CE1-CG 4.41Å; F472-S588 VanDerWaalsContact CE1-O 3.23Å; F472-S588 WeakPolarHBondContact CE1-O 3.15Å; F472-L596 HydrophobicContact CZ-CD1 4.43Å; F472-W598 AromaticContact CD1-CD1 3.69Å; F472-W598 HydrophobicContact CD2-CB 3.94Å; F472-W598 AromaticContact CD2-CD1 3.9Å; F472-W598 HydrophobicContact CD2-CG 4.33Å; F472-W598 AromaticContact CE1-CD1 3.99Å; F472-W598 HydrophobicContact CE2-CB 3.7Å; F472-W598 HydrophobicContact CE2-CG 4.39Å; F472-W598 AromaticContact CG-CD1 3.62Å; F472-W598 HydrophobicContact CG-CG 4.46Å; F472-W598 HydrophobicContact CZ-CB 4.12Å
473	L	98.9	Very high	98.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-63.9	-43.8	-172.6	-70.8	171.3	0	0	0	112.7	F445 F455 I458 K469 L470 Y476 F477 P560 M563	F445-L473 HydrophobicContact CZ-CD1 4.49Å; F455-L473 HydrophobicContact CD1-CD1 3.83Å; F455-L473 HydrophobicContact CE1-CD1 3.52Å; F455-L473 HydrophobicContact CE1-CD2 3.88Å; F455-L473 HydrophobicContact CE1-CG 4.38Å; F455-L473 HydrophobicContact CE2-CD1 4.47Å; F455-L473 HydrophobicContact CE2-CD2 4.41Å; F455-L473 HydrophobicContact CG-CD1 4.45Å; F455-L473 HydrophobicContact CZ-CD1 3.88Å; F455-L473 HydrophobicContact CZ-CD2 3.58Å; F455-L473 HydrophobicContact CZ-CG 4.4Å; I458-L473 HydrophobicContact CD1-CD1 3.95Å; K469-L473 WeakPolarHBondContact O-CG 3.47Å; K469-L473 PolarHBondContact O-N 2.88Å; L470-L473 HydrophobicContact CD2-CD1 4.48Å; L470-L473 PolarHBondContact O-N 2.89Å; L473-Y476 WeakPolarHBondContact O-CB 3.42Å; L473-Y476 PolarHBondContact O-N 3.4Å; L473-F477 WeakPolarHBondContact O-CD2 3.19Å; L473-F477 PolarHBondContact O-N 3.49Å; L473-P560 HydrophobicContact CD2-CB 4.35Å; L473-P560 HydrophobicContact CD2-CG 4.47Å; L473-M563 HydrophobicContact CD2-CE 4Å; L473-M563 HydrophobicContact CD2-SD 4.29Å
474	F	98.8	Very high	98.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-70.7	-35.7	177.4	-69.7	-62.4	0	0	0	112.3	F361 L382 Y385 K401 F402 V405 F445 L470 F472 Y476 F477 D478	F361-F474 HydrophobicContact CE1-CZ 4.34Å; L382-F474 HydrophobicContact CD1-CE2 4.14Å; L382-F474 HydrophobicContact CD1-CZ 4.01Å; Y385-F474 AromaticContact CD1-CD2 3.96Å; Y385-F474 HydrophobicContact CD1-CD2 3.96Å; Y385-F474 AromaticContact CD1-CE2 3.8Å; Y385-F474 HydrophobicContact CD1-CE2 3.8Å; Y385-F474 HydrophobicContact CD2-CD2 4.38Å; Y385-F474 AromaticContact CE1-CD2 3.35Å; Y385-F474 HydrophobicContact CE1-CD2 3.35Å; Y385-F474 AromaticContact CE1-CE2 3.6Å; Y385-F474 HydrophobicContact CE1-CE2 3.6Å; Y385-F474 HydrophobicContact CE1-CG 4.16Å; Y385-F474 AromaticContact CE2-CD2 3.82Å; Y385-F474 HydrophobicContact CE2-CD2 3.82Å; Y385-F474 HydrophobicContact CG-CD2 4.45Å; Y385-F474 HydrophobicContact CG-CE2 4.38Å; Y385-F474 AromaticContact CZ-CD2 3.28Å; Y385-F474 AromaticContact CZ-CG 3.97Å; Y385-F474 WeakPolarHBondContact OH-CB 3.42Å; K401-F474 HydrophobicContact CB-CB 4.43Å; K401-F474 HydrophobicContact CB-CD1 4.34Å; K401-F474 HydrophobicContact CD-CB 4.23Å; F402-F474 HydrophobicContact CD1-CD1 4.22Å; F402-F474 AromaticContact CD1-CE1 3.52Å; F402-F474 HydrophobicContact CD1-CE1 3.52Å; F402-F474 HydrophobicContact CD1-CE2 4.28Å; F402-F474 AromaticContact CD1-CZ 3.56Å; F402-F474 HydrophobicContact CD1-CZ 3.56Å; F402-F474 HydrophobicContact CE1-CD2 4.49Å; F402-F474 AromaticContact CE1-CE1 3.91Å; F402-F474 HydrophobicContact CE1-CE1 3.91Å; F402-F474 AromaticContact CE1-CE2 3.79Å; F402-F474 HydrophobicContact CE1-CE2 3.79Å; F402-F474 AromaticContact CE1-CZ 3.46Å; F402-F474 HydrophobicContact CE1-CZ 3.46Å; F402-F474 VanDerWaalsContact CE1-CZ 3.46Å; V405-F474 HydrophobicContact CG2-CD1 3.79Å; V405-F474 HydrophobicContact CG2-CE1 3.66Å; F445-F474 HydrophobicContact CE1-CE1 4.05Å; F445-F474 AromaticContact CE1-CZ 3.77Å; F445-F474 HydrophobicContact CE1-CZ 3.77Å; F445-F474 HydrophobicContact CZ-CE1 4.12Å; F445-F474 HydrophobicContact CZ-CZ 4.03Å; L470-F474 HydrophobicContact CB-CD2 4.02Å; L470-F474 HydrophobicContact CB-CE2 3.96Å; L470-F474 HydrophobicContact CD2-CE2 3.87Å; L470-F474 HydrophobicContact CD2-CZ 4.48Å; L470-F474 HydrophobicContact CG-CE2 4.34Å; L470-F474 WeakPolarHBondContact O-CB 3.21Å; L470-F474 WeakPolarHBondContact O-CD2 3.28Å; L470-F474 PolarHBondContact O-N 2.94Å; F472-F474 PolarHBondContact O-N 2.86Å; F474-Y476 VanDerWaalsContact C-N 3.28Å; F474-Y476 PolarHBondContact O-N 2.92Å; F474-F477 PolarHBondContact O-N 2.91Å; F474-F477 VanDerWaalsContact O-N 3.16Å; F474-D478 PolarHBondContact O-N 3.25Å
475	T	98.6	Very high	98	Very high	36 Å²	36	24.3 Å²	24.3	22%	0.221	13%	0.13	C	C	.	.	H	α-helix	trans	-59.8	-38.7	172.4	-58.5	0	0	0	0	112.1	K471 F472 D478 K479 S587 W598	K471-T475 VanDerWaalsContact O-CB 3.29Å; K471-T475 WeakPolarHBondContact O-CB 3.48Å; K471-T475 PolarHBondContact O-N 3.21Å; K471-T475 VanDerWaalsContact O-N 3.16Å; K471-T475 PolarHBondContact O-OG1 3.28Å; F472-T475 PolarHBondContact O-N 3.14Å; T475-D478 PolarHBondContact O-N 2.82Å; T475-K479 PolarHBondContact O-N 2.8Å; T475-K479 VanDerWaalsContact O-N 3.07Å; T475-S587 WeakPolarHBondContact CG2-OG 3.42Å; T475-W598 HydrophobicContact CG2-CZ2 4.03Å; T475-W598 VanDerWaalsContact OG1-CZ2 3.32Å; T475-W598 WeakPolarHBondContact OG1-CZ2 3.37Å; T475-W598 PolarHBondContact OG1-NE1 2.91Å
476	Y	98.9	Very high	97.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.2	-50.2	171.9	167.9	-113.2	0	0	0	112.2	A438 V441 F472 L473 F474 D478 K479 M480 P560 E561 F586	A438-Y476 WeakPolarHBondContact CA-OH 3.41Å; A438-Y476 HydrophobicContact CB-CE1 4.29Å; A438-Y476 WeakPolarHBondContact CB-OH 3.4Å; A438-Y476 PolarHBondContact N-OH 3.36Å; V441-Y476 HydrophobicContact CB-CE1 4.2Å; V441-Y476 HydrophobicContact CG1-CE1 4.25Å; F472-Y476 PolarHBondContact O-N 2.95Å; L473-Y476 WeakPolarHBondContact O-CB 3.42Å; L473-Y476 PolarHBondContact O-N 3.4Å; F474-Y476 VanDerWaalsContact C-N 3.28Å; F474-Y476 PolarHBondContact O-N 2.92Å; Y476-D478 VanDerWaalsContact C-N 3.3Å; Y476-D478 PolarHBondContact O-N 3.2Å; Y476-K479 PolarHBondContact O-N 2.94Å; Y476-M480 HydrophobicContact CD2-CG 3.79Å; Y476-M480 HydrophobicContact CE1-CG 4.42Å; Y476-M480 HydrophobicContact CE2-CG 3.47Å; Y476-M480 VanDerWaalsContact CE2-CG 3.47Å; Y476-M480 HydrophobicContact CE2-SD 4.01Å; Y476-M480 HydrophobicContact CG-CG 4.4Å; Y476-M480 WeakPolarHBondContact O-CB 3.49Å; Y476-M480 VanDerWaalsContact O-CG 3.25Å; Y476-M480 WeakPolarHBondContact O-CG 3.5Å; Y476-M480 PolarHBondContact O-N 3.15Å; Y476-P560 HydrophobicContact CD1-CB 3.81Å; Y476-P560 HydrophobicContact CD1-CG 4.23Å; Y476-P560 HydrophobicContact CD2-CB 4.25Å; Y476-P560 HydrophobicContact CD2-CG 4.25Å; Y476-P560 HydrophobicContact CE1-CB 4.06Å; Y476-P560 HydrophobicContact CE2-CB 4.49Å; Y476-P560 HydrophobicContact CG-CB 3.9Å; Y476-P560 HydrophobicContact CG-CG 3.87Å; Y476-E561 HydrophobicContact CE2-CG 3.77Å; Y476-F586 HydrophobicContact CD2-CB 4.39Å; Y476-F586 AromaticContact CD2-CD1 3.7Å; Y476-F586 HydrophobicContact CD2-CD1 3.7Å; Y476-F586 AromaticContact CD2-CD2 3.54Å; Y476-F586 HydrophobicContact CD2-CD2 3.54Å; Y476-F586 AromaticContact CD2-CE1 3.73Å; Y476-F586 HydrophobicContact CD2-CE1 3.73Å; Y476-F586 AromaticContact CD2-CE2 3.58Å; Y476-F586 HydrophobicContact CD2-CE2 3.58Å; Y476-F586 AromaticContact CD2-CG 3.6Å; Y476-F586 HydrophobicContact CD2-CG 3.6Å; Y476-F586 AromaticContact CD2-CZ 3.67Å; Y476-F586 HydrophobicContact CD2-CZ 3.67Å; Y476-F586 HydrophobicContact CE2-CD1 4.4Å; Y476-F586 AromaticContact CE2-CD2 3.99Å; Y476-F586 HydrophobicContact CE2-CD2 3.99Å; Y476-F586 AromaticContact CE2-CE1 3.98Å; Y476-F586 HydrophobicContact CE2-CE1 3.98Å; Y476-F586 AromaticContact CE2-CE2 3.53Å; Y476-F586 HydrophobicContact CE2-CE2 3.53Å; Y476-F586 HydrophobicContact CE2-CG 4.4Å; Y476-F586 AromaticContact CE2-CZ 3.53Å; Y476-F586 HydrophobicContact CE2-CZ 3.53Å
477	F	98.8	Very high	97.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-68.3	-27.1	178.9	-65.2	-61.1	0	0	0	113.9	V405 I408 V441 A442 F445 L473 F474 S481	V405-F477 HydrophobicContact CG1-CD2 4.44Å; V405-F477 HydrophobicContact CG1-CE2 4.38Å; V405-F477 HydrophobicContact CG2-CB 4Å; V405-F477 HydrophobicContact CG2-CD2 3.55Å; V405-F477 HydrophobicContact CG2-CE2 4.22Å; V405-F477 HydrophobicContact CG2-CG 3.82Å; I408-F477 HydrophobicContact CD1-CB 4.16Å; I408-F477 HydrophobicContact CD1-CD1 3.85Å; I408-F477 HydrophobicContact CD1-CG 4.49Å; I408-F477 WeakPolarHBondContact CD1-O 3.29Å; I408-F477 HydrophobicContact CG2-CD1 4.29Å; I408-F477 HydrophobicContact CG2-CE1 4.41Å; V441-F477 HydrophobicContact CB-CZ 4.31Å; V441-F477 HydrophobicContact CG1-CZ 3.97Å; A442-F477 HydrophobicContact CB-CD1 4.36Å; A442-F477 HydrophobicContact CB-CE1 3.62Å; A442-F477 HydrophobicContact CB-CZ 4.07Å; F445-F477 HydrophobicContact CD2-CE2 4.18Å; F445-F477 AromaticContact CE2-CE2 3.66Å; F445-F477 HydrophobicContact CE2-CE2 3.66Å; F445-F477 HydrophobicContact CE2-CZ 4.37Å; F445-F477 HydrophobicContact CZ-CE2 4.5Å; L473-F477 WeakPolarHBondContact O-CD2 3.19Å; L473-F477 PolarHBondContact O-N 3.49Å; F474-F477 PolarHBondContact O-N 2.91Å; F474-F477 VanDerWaalsContact O-N 3.16Å; F477-S481 WeakPolarHBondContact O-CB 3.43Å; F477-S481 PolarHBondContact O-N 3.2Å
478	D	98.2	Very high	97.6	Very high	17 Å²	17	30.4 Å²	30.4	9%	0.091	17%	0.169	C	C	.	.	H	α-helix	trans	-63.9	-55.6	171.4	-67.8	-25.4	0	0	0	110.8	K401 R404 F474 T475 Y476 M480 S481 M482	K401-D478 VanDerWaalsContact CD-OD2 3.29Å; K401-D478 WeakPolarHBondContact CD-OD2 3.41Å; K401-D478 WeakPolarHBondContact CE-OD2 3.37Å; K401-D478 WeakPolarHBondContact CG-OD1 3.05Å; K401-D478 IonicContact NZ-OD1 3.36Å; K401-D478 IonicContact NZ-OD2 3.24Å; K401-D478 PolarHBondContact NZ-OD2 3.02Å; R404-D478 VanDerWaalsContact CD-OD1 3.22Å; R404-D478 WeakPolarHBondContact CD-OD1 3.38Å; R404-D478 IonicContact CZ-OD1 3.79Å; R404-D478 IonicContact NE-OD1 2.98Å; R404-D478 VanDerWaalsContact NH1-CG 3.26Å; R404-D478 IonicContact NH1-OD1 3.5Å; R404-D478 PolarHBondContact NH1-OD1 2.77Å; R404-D478 IonicContact NH1-OD2 3.94Å; F474-D478 PolarHBondContact O-N 3.25Å; T475-D478 PolarHBondContact O-N 2.82Å; Y476-D478 VanDerWaalsContact C-N 3.3Å; Y476-D478 PolarHBondContact O-N 3.2Å; D478-M480 VanDerWaalsContact C-N 3.33Å; D478-M480 PolarHBondContact O-N 3.29Å; D478-S481 PolarHBondContact O-N 2.84Å; D478-S481 VanDerWaalsContact O-N 3.1Å; D478-M482 WeakPolarHBondContact O-CB 3.25Å; D478-M482 WeakPolarHBondContact O-CG 2.98Å; D478-M482 PolarHBondContact O-N 3.24Å
479	K	98.2	Very high	97.6	Very high	69 Å²	69	30 Å²	30	30%	0.3	17%	0.167	S	C	.	.	H	α-helix	trans	-57.6	-46.2	176.2	-177.5	59.8	172.6	177.8	0	111.1	T475 Y476 S481 M482 D483 F586	T475-K479 PolarHBondContact O-N 2.8Å; T475-K479 VanDerWaalsContact O-N 3.07Å; Y476-K479 PolarHBondContact O-N 2.94Å; K479-S481 VanDerWaalsContact C-N 3.26Å; K479-S481 PolarHBondContact O-N 2.82Å; K479-M482 PolarHBondContact O-N 3.08Å; K479-D483 HydrophobicContact CD-CB 4.39Å; K479-D483 VanDerWaalsContact CD-O 3.28Å; K479-D483 WeakPolarHBondContact CD-O 3.33Å; K479-D483 WeakPolarHBondContact CE-O 3.3Å; K479-D483 PolarHBondContact NZ-O 3.4Å; K479-D483 IonicContact NZ-OD2 3.75Å; K479-D483 PolarHBondContact NZ-OD2 2.88Å; K479-D483 CarbonylContact O-C 3.08Å; K479-D483 PolarHBondContact O-N 3.22Å; K479-F586 HydrophobicContact CB-CD1 3.91Å; K479-F586 HydrophobicContact CB-CE1 4.27Å; K479-F586 HydrophobicContact CG-CD1 3.77Å; K479-F586 HydrophobicContact CG-CE1 3.86Å
480	M	98.6	Very high	97.6	Very high	12 Å²	12	30 Å²	30	6%	0.059	17%	0.167	C	C	.	.	H	α-helix	trans	-66.6	-21	178.9	-68.4	-53.4	-56.5	0	0	114.4	I408 H434 K435 A438 Y476 D478 P484 P485 F586	I408-M480 HydrophobicContact CD1-CB 3.89Å; H434-M480 HydrophobicContact CB-CE 4.04Å; H434-M480 WeakPolarHBondContact O-CE 3.33Å; K435-M480 HydrophobicContact CG-CE 4.16Å; A438-M480 HydrophobicContact CB-CB 4.07Å; A438-M480 HydrophobicContact CB-CE 3.78Å; A438-M480 HydrophobicContact CB-CG 3.87Å; Y476-M480 HydrophobicContact CD2-CG 3.79Å; Y476-M480 HydrophobicContact CE1-CG 4.42Å; Y476-M480 HydrophobicContact CE2-CG 3.47Å; Y476-M480 VanDerWaalsContact CE2-CG 3.47Å; Y476-M480 HydrophobicContact CE2-SD 4.01Å; Y476-M480 HydrophobicContact CG-CG 4.4Å; Y476-M480 WeakPolarHBondContact O-CB 3.49Å; Y476-M480 VanDerWaalsContact O-CG 3.25Å; Y476-M480 WeakPolarHBondContact O-CG 3.5Å; Y476-M480 PolarHBondContact O-N 3.15Å; D478-M480 VanDerWaalsContact C-N 3.33Å; D478-M480 PolarHBondContact O-N 3.29Å; M480-P484 HydrophobicContact CE-CB 3.56Å; M480-P484 WeakPolarHBondContact O-CB 3.35Å; M480-P484 HydrophobicContact SD-CB 4.14Å; M480-P485 HydrophobicContact SD-CG 4.3Å; M480-F586 HydrophobicContact CG-CE1 4.16Å; M480-F586 HydrophobicContact CG-CZ 4.46Å; M480-F586 HydrophobicContact SD-CE1 3.68Å; M480-F586 HydrophobicContact SD-CZ 3.74Å
481	S	97.8	Very high	97.6	Very high	44 Å²	44	30 Å²	30	31%	0.308	17%	0.167	S	C	.	.	H	α-helix	trans	-94.5	-20.9	176.3	-172.1	0	0	0	0	113.9	F477 D478 K479	F477-S481 WeakPolarHBondContact O-CB 3.43Å; F477-S481 PolarHBondContact O-N 3.2Å; D478-S481 PolarHBondContact O-N 2.84Å; D478-S481 VanDerWaalsContact O-N 3.1Å; K479-S481 VanDerWaalsContact C-N 3.26Å; K479-S481 PolarHBondContact O-N 2.82Å
482	M	95.9	Very high	97.5	Very high	138 Å²	138	29.6 Å²	29.6	68%	0.68	17%	0.165	S	C	*	.	H	α-helix	trans	-105.8	-45.7	-174.8	-66	177.6	65.6	0	0	112.5	D478 K479	D478-M482 WeakPolarHBondContact O-CB 3.25Å; D478-M482 WeakPolarHBondContact O-CG 2.98Å; D478-M482 PolarHBondContact O-N 3.24Å; K479-M482 PolarHBondContact O-N 3.08Å
483	D	96.3	Very high	97.4	Very high	99 Å²	99	30.1 Å²	30.1	53%	0.529	17%	0.168	S	C	.	.	S	Bend	trans	-150.7	70.1	-177.2	179.1	38.6	0	0	0	110.1	K479	K479-D483 HydrophobicContact CD-CB 4.39Å; K479-D483 VanDerWaalsContact CD-O 3.28Å; K479-D483 WeakPolarHBondContact CD-O 3.33Å; K479-D483 WeakPolarHBondContact CE-O 3.3Å; K479-D483 PolarHBondContact NZ-O 3.4Å; K479-D483 IonicContact NZ-OD2 3.75Å; K479-D483 PolarHBondContact NZ-OD2 2.88Å; K479-D483 CarbonylContact O-C 3.08Å; K479-D483 PolarHBondContact O-N 3.22Å
484	P	96.4	Very high	97.1	Very high	33 Å²	33	31.1 Å²	31.1	21%	0.214	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-69.7	130.7	-178.3	26	-34.1	0	0	0	111.5	K435 M480 D486	K435-P484 HydrophobicContact CD-CG 4.49Å; K435-P484 HydrophobicContact CG-CB 4.08Å; K435-P484 HydrophobicContact CG-CG 4.43Å; M480-P484 HydrophobicContact CE-CB 3.56Å; M480-P484 WeakPolarHBondContact O-CB 3.35Å; M480-P484 HydrophobicContact SD-CB 4.14Å; P484-D486 PolarHBondContact O-N 2.83Å
485	P	95.1	Very high	96.7	Very high	13 Å²	13	35 Å²	35	8%	0.084	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-58.6	137.5	176	24.9	-33.9	0	0	0	111.7	H434 M480 Y584 F586	H434-P485 HydrophobicContact CB-CG 4.07Å; H434-P485 WeakPolarHBondContact CB-O 3.28Å; H434-P485 PolarHBondContact CD2-O 3.41Å; H434-P485 VanDerWaalsContact CD2-O 3.26Å; M480-P485 HydrophobicContact SD-CG 4.3Å; P485-Y584 HydrophobicContact CB-CD2 3.75Å; P485-Y584 HydrophobicContact CB-CE2 3.74Å; P485-Y584 HydrophobicContact CB-CG 4.21Å; P485-Y584 HydrophobicContact CG-CD1 4.09Å; P485-Y584 HydrophobicContact CG-CD2 3.95Å; P485-Y584 HydrophobicContact CG-CE1 4.38Å; P485-Y584 HydrophobicContact CG-CE2 4.25Å; P485-Y584 HydrophobicContact CG-CG 3.88Å; P485-F586 HydrophobicContact CG-CE1 4.32Å; P485-F586 HydrophobicContact CG-CZ 4.11Å
486	D	92.2	Very high	95.8	Very high	115 Å²	115	34.9 Å²	34.9	62%	0.615	19%	0.188	S	C	*	.	P	Polyproline II helix	trans	-78.3	160.3	168.3	-75.5	-38.5	0	0	0	111.5	H434 K435 P484 R614	H434-D486 PolarHBondContact CD2-O 3.42Å; H434-D486 VanDerWaalsContact CD2-O 3.3Å; H434-D486 PolarHBondContact NE2-O 3.49Å; K435-D486 IonicContact NZ-OD1 3.95Å; K435-D486 PolarHBondContact NZ-OD1 3.1Å; P484-D486 PolarHBondContact O-N 2.83Å; D486-R614 PolarHBondContact O-NH1 2.96Å; D486-R614 PolarHBondContact O-NH2 3.19Å; D486-R614 VanDerWaalsContact O-NH2 3.09Å
487	G	95.2	Very high	94.4	Very high	27 Å²	27	39.7 Å²	39.7	28%	0.278	21%	0.214	S	C	.	.	S	Bend	trans	104.4	-157.3	-175.5	0	0	0	0	0	113.7	S433 H434 G618	S433-G487 WeakPolarHBondContact CA-O 3.26Å; H434-G487 VanDerWaalsContact CD2-C 3.43Å; G487-G618 VanDerWaalsContact CA-O 3.27Å; G487-G618 WeakPolarHBondContact CA-O 3.2Å
488	A	97.3	Very high	92.9	Very high	2 Å²	2	46.7 Å²	46.7	2%	0.017	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	160.1	-166	0	0	0	0	0	114.2	T431 L432 G618 R619	T431-A488 HydrophobicContact CG2-CB 3.97Å; L432-A488 CarbonylContact O-C 3.57Å; L432-A488 WeakPolarHBondContact O-CA 3.5Å; L432-A488 VanDerWaalsContact O-CB 3.29Å; L432-A488 WeakPolarHBondContact O-CB 3.41Å; A488-G618 PolarHBondContact N-O 2.63Å; A488-R619 HydrophobicContact CB-CG 4.15Å; A488-R619 WeakPolarHBondContact O-CA 3.19Å; A488-R619 WeakPolarHBondContact O-CB 3.12Å; A488-R619 WeakPolarHBondContact O-CG 3.37Å
489	V	98.7	Very high	91.1	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	134.4	171.5	-170.6	0	0	0	0	108.4	T431 L432 F491 E561 I580 V581 A583	T431-V489 WeakPolarHBondContact CA-O 3.14Å; L432-V489 PolarHBondContact N-O 3.16Å; L432-V489 PolarHBondContact O-N 3.38Å; V489-F491 HydrophobicContact CB-CE2 4.08Å; V489-F491 HydrophobicContact CB-CZ 4.3Å; V489-F491 HydrophobicContact CG1-CD2 4.49Å; V489-F491 HydrophobicContact CG1-CE1 4.3Å; V489-F491 HydrophobicContact CG1-CE2 3.75Å; V489-F491 HydrophobicContact CG1-CZ 3.62Å; V489-E561 HydrophobicContact CG2-CB 4.4Å; V489-E561 WeakPolarHBondContact CG2-OE2 3.38Å; V489-I580 HydrophobicContact CG1-CG2 3.81Å; V489-V581 CarbonylContact C-O 3.47Å; V489-V581 WeakPolarHBondContact CA-O 3.43Å; V489-A583 HydrophobicContact CG1-CB 4.15Å
490	S	98.7	Very high	89.3	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	130.7	173	-62.3	0	0	0	0	111.3	A430 T431 I580 V581 R619	A430-S490 WeakPolarHBondContact O-CA 3.42Å; T431-S490 WeakPolarHBondContact CG2-OG 3.39Å; T431-S490 PolarHBondContact OG1-OG 3.04Å; S490-I580 CarbonylContact O-C 3.5Å; S490-I580 WeakPolarHBondContact O-CA 3.34Å; S490-V581 PolarHBondContact N-O 2.69Å; S490-V581 PolarHBondContact O-N 3.26Å; S490-R619 WeakPolarHBondContact OG-CD 3.49Å; S490-R619 PolarHBondContact OG-NH1 3.22Å
491	F	98.8	Very high	87.6	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	130.1	172.1	-54.6	-93.8	0	0	0	107.9	L423 S429 A430 L432 V489 E561 V564 L568 S579 I580	L423-F491 HydrophobicContact CD1-CB 4.17Å; S429-F491 CarbonylContact C-O 3.47Å; S429-F491 WeakPolarHBondContact CA-O 3.2Å; S429-F491 WeakPolarHBondContact CB-O 3.35Å; A430-F491 PolarHBondContact N-O 2.71Å; A430-F491 PolarHBondContact O-N 2.9Å; L432-F491 HydrophobicContact CD1-CD2 4.02Å; L432-F491 HydrophobicContact CD1-CE2 4.1Å; V489-F491 HydrophobicContact CB-CE2 4.08Å; V489-F491 HydrophobicContact CB-CZ 4.3Å; V489-F491 HydrophobicContact CG1-CD2 4.49Å; V489-F491 HydrophobicContact CG1-CE1 4.3Å; V489-F491 HydrophobicContact CG1-CE2 3.75Å; V489-F491 HydrophobicContact CG1-CZ 3.62Å; F491-E561 WeakPolarHBondContact CZ-O 3.44Å; F491-V564 HydrophobicContact CE1-CB 4.21Å; F491-V564 HydrophobicContact CE2-CB 4.12Å; F491-V564 HydrophobicContact CE2-CG1 3.98Å; F491-V564 HydrophobicContact CZ-CB 3.69Å; F491-V564 HydrophobicContact CZ-CG1 4.07Å; F491-L568 HydrophobicContact CB-CD1 3.83Å; F491-L568 HydrophobicContact CD1-CD1 4.38Å; F491-L568 HydrophobicContact CD2-CD1 3.6Å; F491-L568 HydrophobicContact CE2-CD1 4.32Å; F491-L568 HydrophobicContact CG-CD1 3.67Å; F491-S579 CarbonylContact C-O 3.6Å; F491-S579 WeakPolarHBondContact CA-O 3.48Å; F491-I580 HydrophobicContact CD1-CB 4.46Å; F491-I580 HydrophobicContact CD1-CD1 4.03Å; F491-I580 HydrophobicContact CD1-CG1 3.9Å; F491-I580 HydrophobicContact CD1-CG2 3.92Å; F491-I580 HydrophobicContact CE1-CD1 4.06Å; F491-I580 HydrophobicContact CE1-CG1 4.28Å; F491-I580 HydrophobicContact CE1-CG2 3.72Å; F491-I580 HydrophobicContact CZ-CG2 4.37Å
492	R	98.2	Very high	85.6	Confident	17 Å²	17	52.9 Å²	52.9	6%	0.064	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	124.2	-178.5	-178.5	177.1	77.8	-84.5	0.2	110.9	Q283 E428 T494 S579 E623 S662	Q283-R492 VanDerWaalsContact C-NH1 3.34Å; Q283-R492 PolarHBondContact O-NH1 3.15Å; E428-R492 CarbonylContact O-C 3.54Å; E428-R492 VanDerWaalsContact O-CA 3.29Å; E428-R492 WeakPolarHBondContact O-CA 3.49Å; R492-T494 PolarHBondContact O-N 2.76Å; R492-S579 VanDerWaalsContact CZ-CB 3.43Å; R492-S579 PolarHBondContact N-O 2.7Å; R492-S579 VanDerWaalsContact NH1-CB 3.25Å; R492-S579 PolarHBondContact NH1-OG 2.84Å; R492-S579 VanDerWaalsContact NH2-CB 3.29Å; R492-S579 PolarHBondContact NH2-OG 3.37Å; R492-S579 VanDerWaalsContact NH2-OG 3.15Å; R492-S579 PolarHBondContact O-N 2.86Å; R492-E623 IonicContact NH2-OE1 3.39Å; R492-E623 PolarHBondContact NH2-OE1 3.35Å; R492-S662 PolarHBondContact NH2-O 3.14Å
493	L	96.8	Very high	83.7	Confident	11 Å²	11	50.9 Å²	50.9	6%	0.058	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	97.7	170.2	-175.9	60.6	0	0	0	108.5	L423 E428 K495 E576 I578	L423-L493 HydrophobicContact CB-CB 3.86Å; L423-L493 HydrophobicContact CB-CD2 4.33Å; L423-L493 HydrophobicContact CD1-CB 4.17Å; L423-L493 WeakPolarHBondContact O-CD2 3.29Å; E428-L493 PolarHBondContact O-N 2.89Å; L493-K495 HydrophobicContact CG-CG 4.24Å; L493-E576 HydrophobicContact CD1-CB 3.96Å; L493-I578 HydrophobicContact CD1-CG1 3.69Å
494	T	92.1	Very high	81.8	Confident	20 Å²	20	48.7 Å²	48.7	12%	0.123	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	130.2	174.2	-56.1	0	0	0	0	108.5	R492 E576 A577 I658 S662	R492-T494 PolarHBondContact O-N 2.76Å; T494-E576 CarbonylContact O-C 3.59Å; T494-E576 VanDerWaalsContact O-CA 3.29Å; T494-E576 WeakPolarHBondContact O-CA 3.5Å; T494-A577 WeakPolarHBondContact CA-O 3.3Å; T494-A577 WeakPolarHBondContact CB-O 3.43Å; T494-A577 PolarHBondContact N-O 3.03Å; T494-A577 PolarHBondContact O-N 2.8Å; T494-I658 HydrophobicContact CG2-CG2 4.17Å; T494-S662 WeakPolarHBondContact OG1-CB 3.05Å
495	K	89.4	Confident	80	Confident	82 Å²	82	50.5 Å²	50.5	36%	0.357	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	150.7	179.4	-48.3	-168.4	-178.9	-176.2	0	109.3	G425 L493 E576	G425-K495 PolarHBondContact O-NZ 3.18Å; L493-K495 HydrophobicContact CG-CG 4.24Å; K495-E576 HydrophobicContact CD-CG 4.49Å; K495-E576 HydrophobicContact CG-CG 4.16Å; K495-E576 IonicContact NZ-OE1 2.66Å
496	M	79.3	Confident	78.1	Confident	33 Å²	33	53.3 Å²	53.3	16%	0.163	27%	0.268	C	S	.	.			trans	-131.6	136.3	169.5	-162.7	165	-166.8	0	0	110	T500 F501 E504 L575 I658 M661	M496-T500 HydrophobicContact CE-CG2 3.97Å; M496-F501 HydrophobicContact CE-CD2 4.33Å; M496-F501 HydrophobicContact SD-CB 4.37Å; M496-F501 HydrophobicContact SD-CD2 3.68Å; M496-E504 WeakPolarHBondContact CE-OE1 3.3Å; M496-L575 PolarHBondContact N-O 2.95Å; M496-L575 VanDerWaalsContact N-O 3.11Å; M496-L575 WeakPolarHBondContact O-CB 3.43Å; M496-I658 HydrophobicContact CB-CD1 3.7Å; M496-I658 HydrophobicContact CB-CG1 3.7Å; M496-I658 HydrophobicContact CB-CG2 4.43Å; M496-I658 HydrophobicContact CG-CG1 4.4Å; M496-I658 HydrophobicContact SD-CD1 4.47Å; M496-I658 HydrophobicContact SD-CG1 3.81Å; M496-M661 HydrophobicContact CE-CE 3.72Å; M496-M661 HydrophobicContact SD-CE 3.56Å; M496-M661 VanDerWaalsContact SD-CE 3.56Å
497	D	71.1	Confident	76.4	Confident	102 Å²	102	54.1 Å²	54.1	55%	0.545	27%	0.273	S	S	.	.			trans	-69.7	149.5	179.1	-154.9	-11.9	0	0	0	110.9	D499 F501	D497-D499 PolarHBondContact O-N 2.72Å; D497-F501 PolarHBondContact O-N 2.83Å
498	K	66.9	Low	74.9	Confident	146 Å²	146	55.1 Å²	55.1	64%	0.635	27%	0.269	S	S	*	.	H	α-helix	trans	-59.3	-39.5	179.8	-73.2	177.9	176.7	177.8	0	111.3	N502 L575	K498-N502 PolarHBondContact O-ND2 3.36Å; K498-L575 HydrophobicContact CB-CD1 4.3Å; K498-L575 HydrophobicContact CG-CD1 3.58Å
499	D	60.7	Low	73.5	Confident	122 Å²	122	59.1 Å²	59.1	65%	0.652	29%	0.287	S	S	*	.	H	α-helix	trans	-78.9	-42.3	-172.4	-62.8	-16.8	0	0	0	110.9	D497 F501 N502	D497-D499 PolarHBondContact O-N 2.72Å; D499-F501 PolarHBondContact O-N 2.96Å; D499-N502 PolarHBondContact O-N 3.3Å
500	T	59.1	Low	72.5	Confident	72 Å²	72	66.4 Å²	66.4	44%	0.442	33%	0.325	S	S	.	.	H	α-helix	trans	-56.1	-47.3	175.3	-47.4	0	0	0	0	112.5	M496 N502 E503	M496-T500 HydrophobicContact CE-CG2 3.97Å; T500-N502 VanDerWaalsContact C-N 3.26Å; T500-N502 PolarHBondContact O-N 2.67Å; T500-E503 PolarHBondContact O-N 3.34Å
501	F	63	Low	71.8	Confident	6 Å²	6	70.1 Å²	70.1	3%	0.026	34%	0.339	C	S	.	.	H	α-helix	trans	-64	-31.1	-175.4	-168.9	-77.5	0	0	0	113	M496 D497 D499 E503 W505 M653 K654	M496-F501 HydrophobicContact CE-CD2 4.33Å; M496-F501 HydrophobicContact SD-CB 4.37Å; M496-F501 HydrophobicContact SD-CD2 3.68Å; D497-F501 PolarHBondContact O-N 2.83Å; D499-F501 PolarHBondContact O-N 2.96Å; F501-E503 PolarHBondContact O-N 2.76Å; F501-W505 VanDerWaalsContact O-CD1 3.27Å; F501-M653 HydrophobicContact CE1-CE 3.9Å; F501-M653 HydrophobicContact CE1-SD 4.42Å; F501-M653 HydrophobicContact CZ-CE 3.86Å; F501-M653 HydrophobicContact CZ-SD 3.76Å; F501-K654 HydrophobicContact CB-CD 4.45Å; F501-K654 HydrophobicContact CD1-CD 3.4Å; F501-K654 HydrophobicContact CD1-CG 3.83Å; F501-K654 VanDerWaalsContact CD1-NZ 3.32Å; F501-K654 HydrophobicContact CD2-CB 4.48Å; F501-K654 HydrophobicContact CD2-CD 4.26Å; F501-K654 HydrophobicContact CD2-CG 4.45Å; F501-K654 HydrophobicContact CE1-CB 4.34Å; F501-K654 HydrophobicContact CE1-CD 3.68Å; F501-K654 HydrophobicContact CE1-CG 3.52Å; F501-K654 HydrophobicContact CE2-CB 4.12Å; F501-K654 HydrophobicContact CE2-CD 4.48Å; F501-K654 HydrophobicContact CE2-CG 4.19Å; F501-K654 HydrophobicContact CG-CD 3.75Å; F501-K654 HydrophobicContact CG-CG 4.31Å; F501-K654 HydrophobicContact CZ-CB 4.05Å; F501-K654 HydrophobicContact CZ-CD 4.22Å; F501-K654 HydrophobicContact CZ-CG 3.73Å
502	N	55.8	Low	71.4	Confident	73 Å²	73	74 Å²	74	39%	0.39	37%	0.366	S	S	.	.	H	α-helix	trans	-69.1	-16.4	-171.1	-75.9	-16.7	0	0	0	113.6	K498 D499 T500 W505 K506 K654	K498-N502 PolarHBondContact O-ND2 3.36Å; D499-N502 PolarHBondContact O-N 3.3Å; T500-N502 VanDerWaalsContact C-N 3.26Å; T500-N502 PolarHBondContact O-N 2.67Å; N502-W505 PolarHBondContact O-NE1 2.71Å; N502-K506 VanDerWaalsContact O-CE 3.28Å; N502-K506 WeakPolarHBondContact O-CE 3.4Å; N502-K654 PolarHBondContact OD1-NZ 2.99Å
503	E	57.7	Low	71.2	Confident	96 Å²	96	73.7 Å²	73.7	45%	0.449	37%	0.365	S	S	.	.	H	α-helix	trans	-102.5	-44.1	-179.7	-58.4	-56	117.4	0	0	114.4	T500 F501 W505 K506	T500-E503 PolarHBondContact O-N 3.34Å; F501-E503 PolarHBondContact O-N 2.76Å; E503-W505 VanDerWaalsContact C-N 3.32Å; E503-W505 PolarHBondContact O-N 2.69Å; E503-K506 WeakPolarHBondContact O-CA 3.41Å; E503-K506 WeakPolarHBondContact O-CB 3.42Å; E503-K506 VanDerWaalsContact O-CG 3.29Å; E503-K506 WeakPolarHBondContact O-CG 3.29Å; E503-K506 PolarHBondContact O-N 2.89Å; E503-K506 WeakPolarHBondContact OE1-CE 3.39Å; E503-K506 IonicContact OE1-NZ 2.71Å; E503-K506 PolarHBondContact OE1-NZ 2.95Å; E503-K506 WeakPolarHBondContact OE2-CD 3.16Å; E503-K506 WeakPolarHBondContact OE2-CE 3.06Å; E503-K506 IonicContact OE2-NZ 2.81Å; E503-K506 PolarHBondContact OE2-NZ 2.85Å
504	E	55.7	Low	71.2	Confident	52 Å²	52	73.9 Å²	73.9	24%	0.243	37%	0.367	C	S	.	.	H	α-helix	trans	-54	-37.5	-164.6	-74.1	-168.8	-153.8	0	0	116.4	M496 K506 D507 K508	M496-E504 WeakPolarHBondContact CE-OE1 3.3Å; E504-K506 PolarHBondContact O-N 3.41Å; E504-D507 PolarHBondContact O-N 3.23Å; E504-K508 WeakPolarHBondContact O-CG 3.32Å; E504-K508 PolarHBondContact O-N 2.83Å; E504-K508 IonicContact OE2-NZ 3.33Å; E504-K508 PolarHBondContact OE2-NZ 3.03Å
505	W	58.5	Low	71.4	Confident	71 Å²	71	78.7 Å²	78.7	27%	0.269	39%	0.389	S	S	.	.	H	α-helix	trans	-70.2	-15.7	178.9	60.8	-87.5	0	0	0	112.1	F501 N502 E503 K509 F736	F501-W505 VanDerWaalsContact O-CD1 3.27Å; N502-W505 PolarHBondContact O-NE1 2.71Å; E503-W505 VanDerWaalsContact C-N 3.32Å; E503-W505 PolarHBondContact O-N 2.69Å; W505-K509 WeakPolarHBondContact O-CG 3.22Å; W505-K509 PolarHBondContact O-N 2.84Å; W505-K509 VanDerWaalsContact O-N 3.15Å; W505-F736 HydrophobicContact CE3-CD1 4.14Å; W505-F736 HydrophobicContact CE3-CE1 4.19Å; W505-F736 HydrophobicContact CH2-CE1 4.35Å; W505-F736 HydrophobicContact CZ3-CD1 4.14Å; W505-F736 AromaticContact CZ3-CE1 3.99Å; W505-F736 HydrophobicContact CZ3-CE1 3.99Å
506	K	55.7	Low	71.7	Confident	72 Å²	72	76 Å²	76	31%	0.313	38%	0.379	S	S	.	.	H	α-helix	trans	-71.9	-42.8	170.5	-55.1	179.2	-166.4	171	0	111.2	N502 E503 E504 K509	N502-K506 VanDerWaalsContact O-CE 3.28Å; N502-K506 WeakPolarHBondContact O-CE 3.4Å; E503-K506 WeakPolarHBondContact O-CA 3.41Å; E503-K506 WeakPolarHBondContact O-CB 3.42Å; E503-K506 VanDerWaalsContact O-CG 3.29Å; E503-K506 WeakPolarHBondContact O-CG 3.29Å; E503-K506 PolarHBondContact O-N 2.89Å; E503-K506 WeakPolarHBondContact OE1-CE 3.39Å; E503-K506 IonicContact OE1-NZ 2.71Å; E503-K506 PolarHBondContact OE1-NZ 2.95Å; E503-K506 WeakPolarHBondContact OE2-CD 3.16Å; E503-K506 WeakPolarHBondContact OE2-CE 3.06Å; E503-K506 IonicContact OE2-NZ 2.81Å; E503-K506 PolarHBondContact OE2-NZ 2.85Å; E504-K506 PolarHBondContact O-N 3.41Å; K506-K509 HydrophobicContact CB-CD 4.44Å; K506-K509 WeakPolarHBondContact O-CB 3.49Å; K506-K509 WeakPolarHBondContact O-CD 3.41Å; K506-K509 VanDerWaalsContact O-CG 3.28Å; K506-K509 WeakPolarHBondContact O-CG 3.47Å; K506-K509 PolarHBondContact O-N 2.96Å
507	D	56.6	Low	72.5	Confident	132 Å²	132	77 Å²	77	71%	0.706	38%	0.383	S	S	*	.	H	α-helix	trans	-70.2	-40.7	177.6	-53.3	-40.6	0	0	0	110	E504 K509	E504-D507 PolarHBondContact O-N 3.23Å; D507-K509 PolarHBondContact O-N 3.26Å
508	K	63.6	Low	73.5	Confident	48 Å²	48	72.9 Å²	72.9	21%	0.209	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-74	3.2	174.2	-59.6	167.2	-173.3	174.5	0	113.2	E504 L510 R511 V699	E504-K508 WeakPolarHBondContact O-CG 3.32Å; E504-K508 PolarHBondContact O-N 2.83Å; E504-K508 IonicContact OE2-NZ 3.33Å; E504-K508 PolarHBondContact OE2-NZ 3.03Å; K508-L510 VanDerWaalsContact C-N 3.27Å; K508-L510 PolarHBondContact O-N 3.01Å; K508-R511 VanDerWaalsContact O-CB 3.27Å; K508-R511 WeakPolarHBondContact O-CB 3.28Å; K508-R511 PolarHBondContact O-N 3.45Å; K508-R511 VanDerWaalsContact O-N 3.11Å; K508-V699 HydrophobicContact CD-CG1 4.34Å; K508-V699 WeakPolarHBondContact CE-O 3.39Å; K508-V699 PolarHBondContact NZ-O 2.95Å
509	K	68.3	Low	74.7	Confident	86 Å²	86	66.6 Å²	66.6	37%	0.374	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-54.9	-39.9	180	-90.6	167.5	-172.2	158.5	0	113.2	W505 K506 D507 R511 T731 G733	W505-K509 WeakPolarHBondContact O-CG 3.22Å; W505-K509 PolarHBondContact O-N 2.84Å; W505-K509 VanDerWaalsContact O-N 3.15Å; K506-K509 HydrophobicContact CB-CD 4.44Å; K506-K509 WeakPolarHBondContact O-CB 3.49Å; K506-K509 WeakPolarHBondContact O-CD 3.41Å; K506-K509 VanDerWaalsContact O-CG 3.28Å; K506-K509 WeakPolarHBondContact O-CG 3.47Å; K506-K509 PolarHBondContact O-N 2.96Å; D507-K509 PolarHBondContact O-N 3.26Å; K509-R511 VanDerWaalsContact C-N 3.32Å; K509-T731 WeakPolarHBondContact O-CB 3.5Å; K509-T731 PolarHBondContact O-OG1 3.07Å; K509-G733 WeakPolarHBondContact O-CA 3.35Å; K509-G733 PolarHBondContact O-N 2.84Å
510	L	76.3	Confident	76	Confident	153 Å²	153	62.7 Å²	62.7	80%	0.801	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-88.3	2	-175.2	-59.9	178.9	0	0	0	113.1	K508	K508-L510 VanDerWaalsContact C-N 3.27Å; K508-L510 PolarHBondContact O-N 3.01Å
511	R	83.9	Confident	77.1	Confident	78 Å²	78	65.7 Å²	65.7	29%	0.294	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-72.9	140.2	179.5	-159.9	-164.7	-162.5	114.3	39.8	111	K508 K509 G698 D701 T731 L732	K508-R511 VanDerWaalsContact O-CB 3.27Å; K508-R511 WeakPolarHBondContact O-CB 3.28Å; K508-R511 PolarHBondContact O-N 3.45Å; K508-R511 VanDerWaalsContact O-N 3.11Å; K509-R511 VanDerWaalsContact C-N 3.32Å; R511-G698 WeakPolarHBondContact CD-O 3.32Å; R511-G698 PolarHBondContact NH1-O 3.3Å; R511-D701 IonicContact CZ-OD1 2.68Å; R511-D701 IonicContact CZ-OD2 3.66Å; R511-D701 VanDerWaalsContact CZ-OD2 3.3Å; R511-D701 IonicContact NE-OD1 3.7Å; R511-D701 VanDerWaalsContact NH1-CB 3.29Å; R511-D701 IonicContact NH1-OD1 3.32Å; R511-D701 PolarHBondContact NH1-OD1 2.82Å; R511-D701 IonicContact NH1-OD2 2.81Å; R511-D701 PolarHBondContact NH1-OD2 3.05Å; R511-D701 IonicContact NH2-OD1 2.87Å; R511-D701 PolarHBondContact NH2-OD1 3.17Å; R511-D701 IonicContact NH2-OD2 3.52Å; R511-D701 PolarHBondContact NH2-OD2 3.11Å; R511-T731 CarbonylContact O-C 3.42Å; R511-T731 WeakPolarHBondContact O-CA 3.31Å; R511-T731 VanDerWaalsContact O-CB 3.25Å; R511-T731 WeakPolarHBondContact O-CB 3.25Å; R511-L732 HydrophobicContact CB-CD1 3.92Å; R511-L732 HydrophobicContact CB-CG 4.25Å; R511-L732 HydrophobicContact CG-CD1 4.33Å; R511-L732 PolarHBondContact O-N 3.2Å
512	S	90.9	Very high	78.3	Confident	81 Å²	81	66.4 Å²	66.4	57%	0.566	33%	0.325	S	S	*	.	B	Isolated β-bridge	trans	-57.3	159.3	164.8	59.7	0	0	0	0	112.6
513	L	94.4	Very high	80.1	Confident	11 Å²	11	65.2 Å²	65.2	6%	0.058	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-61	152.5	166.7	-54.4	-168.3	0	0	0	111.3	I722 M725 V730 L732 L735	L513-I722 HydrophobicContact CD1-CD1 4.47Å; L513-M725 HydrophobicContact CD1-CB 3.72Å; L513-M725 HydrophobicContact CD1-CE 3.86Å; L513-M725 HydrophobicContact CD1-SD 4.23Å; L513-V730 WeakPolarHBondContact CG-O 3.29Å; L513-L732 HydrophobicContact CD2-CD2 3.86Å; L513-L735 HydrophobicContact CD1-CD2 4.17Å; L513-L735 HydrophobicContact CD2-CB 4.25Å; L513-L735 HydrophobicContact CD2-CD2 3.6Å
514	P	95.4	Very high	81.9	Confident	15 Å²	15	60.8 Å²	60.8	10%	0.097	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-67.6	173.1	176.5	30.2	-37.5	0	0	0	112.9	V516 V694 A697 K726	P514-V516 HydrophobicContact CG-CG2 4.18Å; P514-V694 HydrophobicContact CG-CG1 4.19Å; P514-V694 WeakPolarHBondContact CG-O 3.31Å; P514-A697 HydrophobicContact CG-CB 4.2Å; P514-K726 WeakPolarHBondContact O-CE 3.44Å; P514-K726 PolarHBondContact O-NZ 3.16Å
515	E	96.3	Very high	83.8	Confident	122 Å²	122	58.7 Å²	58.7	57%	0.57	29%	0.288	S	S	*	.	P	Polyproline II helix	trans	-65.3	137.4	157.9	-173.5	157.4	-143	0	0	109.5	P703 L704	E515-P703 HydrophobicContact CB-CB 4.1Å; E515-P703 HydrophobicContact CB-CG 4.3Å; E515-P703 WeakPolarHBondContact O-CA 3.21Å; E515-L704 PolarHBondContact O-N 3.03Å
516	V	97.3	Very high	85.4	Confident	25 Å²	25	56.1 Å²	56.1	15%	0.152	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	112.6	-179.5	-175.6	0	0	0	0	106.9	P514 F518 F690 V694 L704 I722	P514-V516 HydrophobicContact CG-CG2 4.18Å; V516-F518 HydrophobicContact CG1-CD2 4.2Å; V516-F518 HydrophobicContact CG1-CE2 3.91Å; V516-F690 HydrophobicContact CG1-CE2 4.01Å; V516-F690 HydrophobicContact CG1-CZ 4.12Å; V516-V694 HydrophobicContact CG2-CG1 4.42Å; V516-V694 HydrophobicContact CG2-CG2 4.19Å; V516-L704 WeakPolarHBondContact CA-O 3.38Å; V516-L704 HydrophobicContact CG1-CB 4.44Å; V516-L704 HydrophobicContact CG2-CB 4.31Å; V516-I722 HydrophobicContact CG2-CD1 4.2Å
517	E	94.6	Very high	87.1	Confident	54 Å²	54	52.9 Å²	52.9	25%	0.252	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	149.2	176	-170.3	165.3	-141.4	0	0	109.3	M263 F519 L704 H705 F706	M263-E517 HydrophobicContact CE-CG 4.31Å; M263-E517 WeakPolarHBondContact CE-OE1 3.37Å; E517-F519 HydrophobicContact CB-CE2 3.92Å; E517-F519 HydrophobicContact CB-CZ 4.31Å; E517-F519 HydrophobicContact CG-CE2 3.69Å; E517-F519 HydrophobicContact CG-CZ 3.74Å; E517-F519 VanDerWaalsContact OE2-CZ 3.28Å; E517-F519 WeakPolarHBondContact OE2-CZ 3.45Å; E517-L704 PolarHBondContact N-O 3.08Å; E517-H705 WeakPolarHBondContact O-CA 3.29Å; E517-H705 IonicContact OE2-CE1 2.71Å; E517-F706 PolarHBondContact O-N 2.81Å
518	F	93.8	Very high	88.8	Confident	15 Å²	15	46.6 Å²	46.6	7%	0.066	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	131.1	-172.6	-96.2	-90.3	0	0	0	110.2	V516 F690 F706 A715 C718 K719	V516-F518 HydrophobicContact CG1-CD2 4.2Å; V516-F518 HydrophobicContact CG1-CE2 3.91Å; F518-F690 AromaticContact CE2-CE2 3.57Å; F518-F690 HydrophobicContact CE2-CE2 3.57Å; F518-F690 AromaticContact CE2-CZ 3.69Å; F518-F690 HydrophobicContact CE2-CZ 3.69Å; F518-F690 AromaticContact CZ-CD2 3.89Å; F518-F690 HydrophobicContact CZ-CD2 3.89Å; F518-F690 AromaticContact CZ-CE2 3.35Å; F518-F690 HydrophobicContact CZ-CE2 3.35Å; F518-F690 AromaticContact CZ-CZ 3.76Å; F518-F690 HydrophobicContact CZ-CZ 3.76Å; F518-F706 WeakPolarHBondContact CA-O 3.06Å; F518-F706 HydrophobicContact CD1-CB 3.93Å; F518-F706 AromaticContact CD1-CD1 3.91Å; F518-F706 HydrophobicContact CD1-CD1 3.91Å; F518-F706 HydrophobicContact CD1-CG 4.28Å; F518-F706 HydrophobicContact CD2-CB 4.42Å; F518-F706 HydrophobicContact CE1-CB 3.87Å; F518-F706 AromaticContact CE1-CD1 3.31Å; F518-F706 HydrophobicContact CE1-CD1 3.31Å; F518-F706 HydrophobicContact CE1-CE1 4.05Å; F518-F706 AromaticContact CE1-CG 3.76Å; F518-F706 HydrophobicContact CE1-CG 3.76Å; F518-F706 HydrophobicContact CE2-CB 4.36Å; F518-F706 HydrophobicContact CG-CB 4.21Å; F518-F706 HydrophobicContact CZ-CB 4.07Å; F518-F706 AromaticContact CZ-CD1 3.92Å; F518-F706 HydrophobicContact CZ-CD1 3.92Å; F518-F706 AromaticContact CZ-CG 3.98Å; F518-F706 HydrophobicContact CZ-CG 3.98Å; F518-A715 HydrophobicContact CD1-CB 3.62Å; F518-A715 HydrophobicContact CE1-CB 3.99Å; F518-A715 HydrophobicContact CG-CB 4.33Å; F518-C718 HydrophobicContact CE1-CB 4.02Å; F518-C718 HydrophobicContact CE2-CB 3.71Å; F518-C718 HydrophobicContact CZ-CB 3.24Å; F518-K719 HydrophobicContact CB-CD 4.36Å; F518-K719 HydrophobicContact CB-CG 4.36Å; F518-K719 HydrophobicContact CD2-CG 3.88Å; F518-K719 HydrophobicContact CE2-CG 4.49Å; F518-K719 HydrophobicContact CG-CG 4.25Å
519	F	91.5	Very high	90.3	Very high	14 Å²	14	44.3 Å²	44.3	6%	0.061	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	110.5	-177.5	-59.1	-97	0	0	0	108.5	M263 E517 M522 H705 F706 C707 S708	M263-F519 HydrophobicContact CE-CD1 4.3Å; M263-F519 HydrophobicContact CE-CE1 3.82Å; M263-F519 HydrophobicContact CE-CZ 4.38Å; M263-F519 HydrophobicContact SD-CE1 4.48Å; E517-F519 HydrophobicContact CB-CE2 3.92Å; E517-F519 HydrophobicContact CB-CZ 4.31Å; E517-F519 HydrophobicContact CG-CE2 3.69Å; E517-F519 HydrophobicContact CG-CZ 3.74Å; E517-F519 VanDerWaalsContact OE2-CZ 3.28Å; E517-F519 WeakPolarHBondContact OE2-CZ 3.45Å; F519-M522 HydrophobicContact CB-CB 3.71Å; F519-M522 HydrophobicContact CB-CE 3.89Å; F519-M522 HydrophobicContact CB-SD 4.5Å; F519-M522 HydrophobicContact CD1-CE 3.79Å; F519-M522 HydrophobicContact CD1-SD 3.9Å; F519-M522 HydrophobicContact CD2-CE 3.85Å; F519-M522 HydrophobicContact CE1-CE 4.29Å; F519-M522 HydrophobicContact CE1-SD 4.39Å; F519-M522 HydrophobicContact CE2-CE 4.36Å; F519-M522 HydrophobicContact CG-CB 4.41Å; F519-M522 HydrophobicContact CG-CE 3.56Å; F519-M522 HydrophobicContact CG-SD 4.22Å; F519-H705 HydrophobicContact CD2-CB 4.2Å; F519-H705 HydrophobicContact CE2-CB 3.69Å; F519-H705 AromaticContact CE2-CG 3.62Å; F519-H705 AromaticContact CE2-ND1 3.41Å; F519-H705 WeakPolarHBondContact CE2-ND1 3.08Å; F519-H705 AromaticContact CZ-ND1 3.54Å; F519-F706 PolarHBondContact N-O 2.66Å; F519-C707 WeakPolarHBondContact O-CA 3.28Å; F519-S708 PolarHBondContact O-N 3.37Å
520	D	87.1	Confident	91.6	Very high	41 Å²	41	40.2 Å²	40.2	22%	0.219	20%	0.204	C	C	.	.	S	Bend	trans	-84.1	-23.7	-168.1	-65.7	-62.2	0	0	0	113.3	S708 G710 A715 K719	D520-S708 WeakPolarHBondContact CA-OG 3.46Å; D520-S708 WeakPolarHBondContact OD1-CB 3.4Å; D520-S708 PolarHBondContact OD1-OG 2.73Å; D520-G710 PolarHBondContact O-N 2.73Å; D520-A715 WeakPolarHBondContact OD1-CB 3.32Å; D520-K719 IonicContact OD1-NZ 2.58Å; D520-K719 IonicContact OD2-NZ 3.97Å; D520-K719 PolarHBondContact OD2-NZ 3.21Å
521	E	83.4	Confident	92.7	Very high	135 Å²	135	33 Å²	33	63%	0.631	17%	0.166	S	C	*	.	S	Bend	trans	-116.9	-4.4	-179.4	-62.3	178.8	-126.9	0	0	114.7	R260	R260-E521 VanDerWaalsContact CD-CD 3.46Å; R260-E521 WeakPolarHBondContact CD-OE1 3.36Å; R260-E521 WeakPolarHBondContact CD-OE2 3.06Å; R260-E521 IonicContact CZ-OE2 2.99Å; R260-E521 IonicContact NE-OE2 3.78Å; R260-E521 IonicContact NH1-OE2 2.74Å; R260-E521 PolarHBondContact NH1-OE2 2.98Å
522	M	87.6	Confident	93.4	Very high	21 Å²	21	29.3 Å²	29.3	10%	0.103	15%	0.153	C	C	.	.			trans	-92.3	136.6	-175.2	-168.3	-177.3	73.1	0	0	110.7	Y264 F519 D526 T527 V673 C707	Y264-M522 HydrophobicContact CD2-SD 3.57Å; Y264-M522 VanDerWaalsContact CD2-SD 3.57Å; Y264-M522 HydrophobicContact CE2-SD 4.32Å; Y264-M522 HydrophobicContact CG-SD 4.23Å; F519-M522 HydrophobicContact CB-CB 3.71Å; F519-M522 HydrophobicContact CB-CE 3.89Å; F519-M522 HydrophobicContact CB-SD 4.5Å; F519-M522 HydrophobicContact CD1-CE 3.79Å; F519-M522 HydrophobicContact CD1-SD 3.9Å; F519-M522 HydrophobicContact CD2-CE 3.85Å; F519-M522 HydrophobicContact CE1-CE 4.29Å; F519-M522 HydrophobicContact CE1-SD 4.39Å; F519-M522 HydrophobicContact CE2-CE 4.36Å; F519-M522 HydrophobicContact CG-CB 4.41Å; F519-M522 HydrophobicContact CG-CE 3.56Å; F519-M522 HydrophobicContact CG-SD 4.22Å; M522-D526 HydrophobicContact CG-CB 3.88Å; M522-T527 HydrophobicContact CE-CG2 3.48Å; M522-T527 VanDerWaalsContact CE-CG2 3.48Å; M522-T527 HydrophobicContact SD-CG2 3.76Å; M522-V673 HydrophobicContact CE-CG1 4.36Å; M522-C707 WeakPolarHBondContact O-CB 3.47Å; M522-C707 PolarHBondContact O-SG 2.86Å
523	L	93.1	Very high	93.7	Very high	47 Å²	47	25.5 Å²	25.5	25%	0.246	13%	0.126	C	C	.	.			trans	-86.2	166.3	173.2	-56.5	176.6	0	0	0	110.9	E525 D526 F709	L523-E525 VanDerWaalsContact C-N 3.35Å; L523-E525 HydrophobicContact CB-CG 4.23Å; L523-D526 PolarHBondContact N-OD2 3.28Å; L523-D526 VanDerWaalsContact N-OD2 3.1Å; L523-F709 HydrophobicContact CD2-CD1 3.94Å; L523-F709 HydrophobicContact CD2-CE1 4.09Å
524	I	96.3	Very high	94	Very high	3 Å²	3	25 Å²	25	2%	0.015	12%	0.123	C	C	.	.	S	Bend	trans	-68.6	-42.2	-178.6	-67.1	174	0	0	0	109.5	D526 T527 Q532 F535 V673 C707 F709	I524-D526 VanDerWaalsContact C-N 3.34Å; I524-D526 PolarHBondContact O-N 3.16Å; I524-T527 PolarHBondContact O-N 3.19Å; I524-T527 PolarHBondContact O-OG1 3.21Å; I524-Q532 HydrophobicContact CG2-CB 3.62Å; I524-Q532 HydrophobicContact CG2-CG 3.86Å; I524-Q532 PolarHBondContact O-NE2 2.79Å; I524-F535 HydrophobicContact CD1-CE1 3.99Å; I524-F535 HydrophobicContact CD1-CE2 4.45Å; I524-F535 HydrophobicContact CD1-CZ 3.68Å; I524-V673 HydrophobicContact CB-CG1 4.32Å; I524-V673 HydrophobicContact CG1-CG1 4.28Å; I524-V673 HydrophobicContact CG2-CB 4.39Å; I524-V673 HydrophobicContact CG2-CG1 4.13Å; I524-C707 HydrophobicContact CG1-CB 4.27Å; I524-F709 HydrophobicContact CD1-CZ 3.88Å; I524-F709 HydrophobicContact CG1-CE1 4.5Å; I524-F709 HydrophobicContact CG1-CZ 4.03Å
525	E	94.8	Very high	94.1	Very high	8 Å²	8	26.1 Å²	26.1	4%	0.037	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-11.8	-178.9	60.1	-87.8	-158.9	0	0	115.4	L523 T527 R555 M558 Y589	L523-E525 VanDerWaalsContact C-N 3.35Å; L523-E525 HydrophobicContact CB-CG 4.23Å; E525-T527 PolarHBondContact O-N 3.4Å; E525-R555 VanDerWaalsContact CB-NH1 3.31Å; E525-M558 HydrophobicContact CG-CE 4.1Å; E525-M558 HydrophobicContact CG-SD 4.04Å; E525-Y589 VanDerWaalsContact OE1-CE1 3.3Å; E525-Y589 WeakPolarHBondContact OE1-CE1 3.47Å; E525-Y589 PolarHBondContact OE1-OH 2.99Å
526	D	91.8	Very high	94.2	Very high	18 Å²	18	20.3 Å²	20.3	10%	0.096	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-20.7	169.1	-96.5	-60	0	0	0	112.6	M522 L523 I524 N604 R607	M522-D526 HydrophobicContact CG-CB 3.88Å; L523-D526 PolarHBondContact N-OD2 3.28Å; L523-D526 VanDerWaalsContact N-OD2 3.1Å; I524-D526 VanDerWaalsContact C-N 3.34Å; I524-D526 PolarHBondContact O-N 3.16Å; D526-N604 WeakPolarHBondContact OD1-CB 3.33Å; D526-N604 PolarHBondContact OD1-ND2 3.09Å; D526-R607 PolarHBondContact O-NH1 2.79Å; D526-R607 IonicContact OD1-CZ 3.35Å; D526-R607 IonicContact OD1-NH1 2.69Å; D526-R607 PolarHBondContact OD1-NH1 2.8Å; D526-R607 IonicContact OD1-NH2 2.61Å
527	T	92.3	Very high	94.3	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.018	10%	0.104	C	C	.	.			trans	-91	165.9	-166.4	67.4	0	0	0	0	113.5	Y264 M522 I524 E525 C530 Q532 V673	Y264-T527 HydrophobicContact CD2-CG2 4.35Å; Y264-T527 HydrophobicContact CE2-CG2 3.79Å; Y264-T527 WeakPolarHBondContact OH-CA 3.37Å; M522-T527 HydrophobicContact CE-CG2 3.48Å; M522-T527 VanDerWaalsContact CE-CG2 3.48Å; M522-T527 HydrophobicContact SD-CG2 3.76Å; I524-T527 PolarHBondContact O-N 3.19Å; I524-T527 PolarHBondContact O-OG1 3.21Å; E525-T527 PolarHBondContact O-N 3.4Å; T527-C530 PolarHBondContact OG1-SG 2.9Å; T527-Q532 PolarHBondContact O-NE2 3.36Å; T527-Q532 WeakPolarHBondContact OG1-CG 3.43Å; T527-Q532 PolarHBondContact OG1-NE2 2.95Å; T527-V673 HydrophobicContact CG2-CG1 3.92Å; T527-V673 HydrophobicContact CG2-CG2 4.19Å
528	A	92.9	Very high	94.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.106	C	C	.	.			trans	-148.2	164	175	0	0	0	0	0	110.5	Y264 L268 H271 C530 Q608 F613 V622	Y264-A528 PolarHBondContact OH-N 3Å; L268-A528 HydrophobicContact CD1-CB 3.97Å; H271-A528 PolarHBondContact ND1-O 2.94Å; A528-C530 PolarHBondContact O-N 3.21Å; A528-Q608 HydrophobicContact CB-CB 3.95Å; A528-F613 HydrophobicContact CB-CD2 4.16Å; A528-F613 HydrophobicContact CB-CE2 4.08Å; A528-V622 HydrophobicContact CB-CG2 4.2Å
529	L	95.2	Very high	94.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	55.1	47.5	-178.9	-55.7	-176.5	0	0	0	113.1	L268 H271 V272 F275 F613 R621	L268-L529 HydrophobicContact CD1-CB 4.44Å; L268-L529 HydrophobicContact CD1-CD1 4.02Å; L268-L529 HydrophobicContact CD1-CG 4.13Å; H271-L529 HydrophobicContact CB-CB 3.48Å; H271-L529 VanDerWaalsContact CB-CB 3.48Å; H271-L529 HydrophobicContact CB-CD1 4.13Å; H271-L529 HydrophobicContact CB-CG 4.46Å; H271-L529 PolarHBondContact ND1-O 2.9Å; V272-L529 HydrophobicContact CB-CD1 4.18Å; V272-L529 HydrophobicContact CG2-CD1 3.44Å; V272-L529 VanDerWaalsContact CG2-CD1 3.44Å; F275-L529 HydrophobicContact CD2-CB 4.01Å; F275-L529 HydrophobicContact CD2-CD2 4.49Å; F275-L529 HydrophobicContact CE2-CB 3.96Å; F275-L529 WeakPolarHBondContact CE2-O 3.32Å; L529-F613 HydrophobicContact CD1-CD1 3.97Å; L529-F613 HydrophobicContact CD1-CE1 3.97Å; L529-F613 HydrophobicContact CD1-CG 4.47Å; L529-F613 HydrophobicContact CD1-CZ 4.44Å; L529-F613 HydrophobicContact CD2-CB 3.93Å; L529-F613 HydrophobicContact CD2-CD1 4.09Å; L529-F613 HydrophobicContact CD2-CD2 4.49Å; L529-F613 HydrophobicContact CD2-CG 3.92Å; L529-F613 HydrophobicContact CG-CD1 4.24Å; L529-F613 HydrophobicContact CG-CD2 4.46Å; L529-F613 HydrophobicContact CG-CG 4.23Å; L529-R621 VanDerWaalsContact CA-O 3.31Å; L529-R621 WeakPolarHBondContact CA-O 3.42Å; L529-R621 HydrophobicContact CD2-CB 3.54Å
530	C	95.9	Very high	94.9	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.007	13%	0.125	C	C	.	.	S	Bend	trans	-155.2	176.8	-173.6	59	0	0	0	0	111.9	T527 A528 E623 P671 V673	T527-C530 PolarHBondContact OG1-SG 2.9Å; A528-C530 PolarHBondContact O-N 3.21Å; C530-E623 PolarHBondContact O-N 2.93Å; C530-E623 VanDerWaalsContact O-N 3.17Å; C530-P671 HydrophobicContact CB-CG 4.16Å; C530-V673 HydrophobicContact CB-CG2 3.94Å
531	T	97.9	Very high	95.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	116.9	164.7	-64	0	0	0	0	108.7	E623 I625 P671 I672 V673 R702	T531-E623 CarbonylContact C-O 3.48Å; T531-E623 WeakPolarHBondContact CB-OE2 3.47Å; T531-E623 HydrophobicContact CG2-CG 4.15Å; T531-E623 WeakPolarHBondContact CG2-OE2 3.44Å; T531-E623 PolarHBondContact OG1-OE2 3.36Å; T531-I625 HydrophobicContact CG2-CB 3.96Å; T531-I625 HydrophobicContact CG2-CG2 3.33Å; T531-P671 PolarHBondContact N-O 2.76Å; T531-P671 VanDerWaalsContact N-O 3.16Å; T531-I672 CarbonylContact O-C 3.52Å; T531-I672 WeakPolarHBondContact O-CA 3.41Å; T531-V673 PolarHBondContact O-N 2.93Å; T531-R702 PolarHBondContact OG1-NH1 3.26Å; T531-R702 PolarHBondContact OG1-NH2 3.2Å
532	Q	98.5	Very high	96	Very high	2 Å²	2	18.4 Å²	18.4	1%	0.009	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	126.8	176.4	-72.4	172.3	-5.7	0	0	110	I524 T527 V622 E623 T624 I625	I524-Q532 HydrophobicContact CG2-CB 3.62Å; I524-Q532 HydrophobicContact CG2-CG 3.86Å; I524-Q532 PolarHBondContact O-NE2 2.79Å; T527-Q532 PolarHBondContact O-NE2 3.36Å; T527-Q532 WeakPolarHBondContact OG1-CG 3.43Å; T527-Q532 PolarHBondContact OG1-NE2 2.95Å; Q532-V622 HydrophobicContact CG-CG1 4.12Å; Q532-E623 PolarHBondContact N-O 3.05Å; Q532-T624 CarbonylContact O-C 3.58Å; Q532-T624 VanDerWaalsContact O-CA 3.28Å; Q532-T624 WeakPolarHBondContact O-CA 3.37Å; Q532-I625 PolarHBondContact O-N 3.36Å
533	V	98.9	Very high	96.5	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.006	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	129.9	-179.8	-176.4	0	0	0	0	111	F535 Q551 I625 I627 F660 I672 V673	V533-F535 HydrophobicContact CB-CE1 4.32Å; V533-F535 HydrophobicContact CG1-CD1 3.91Å; V533-F535 HydrophobicContact CG1-CE1 3.99Å; V533-Q551 PolarHBondContact O-NE2 3.26Å; V533-I625 HydrophobicContact CB-CG2 4.46Å; V533-I625 HydrophobicContact CG2-CG2 4.01Å; V533-I627 HydrophobicContact CG1-CD1 3.81Å; V533-I627 HydrophobicContact CG1-CG1 3.77Å; V533-F660 HydrophobicContact CG2-CE1 3.73Å; V533-F660 HydrophobicContact CG2-CZ 4.32Å; V533-I672 HydrophobicContact CG2-CG2 3.63Å; V533-V673 WeakPolarHBondContact CG2-O 3.36Å; V533-V673 PolarHBondContact N-O 3.47Å
534	D	98.8	Very high	96.7	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.005	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	122.7	169.8	167.1	28.8	0	0	0	108.6	A536 E552 T624 I625 A626 I627	D534-A536 PolarHBondContact O-N 2.7Å; D534-E552 WeakPolarHBondContact OD1-CA 3.44Å; D534-E552 WeakPolarHBondContact OD1-CB 3.34Å; D534-E552 WeakPolarHBondContact OD1-CG 3.4Å; D534-T624 HydrophobicContact CB-CG2 3.63Å; D534-I625 PolarHBondContact N-O 2.82Å; D534-A626 HydrophobicContact CB-CB 4.39Å; D534-A626 WeakPolarHBondContact OD2-CB 3.38Å; D534-I627 PolarHBondContact O-N 2.93Å
535	F	98.6	Very high	96.8	Very high	37 Å²	37	15.9 Å²	15.9	16%	0.162	9%	0.087	C	C	.	.			trans	-81	52.8	-176	-56.3	-19.1	0	0	0	111	I524 V533 Q551 W677 F709	I524-F535 HydrophobicContact CD1-CE1 3.99Å; I524-F535 HydrophobicContact CD1-CE2 4.45Å; I524-F535 HydrophobicContact CD1-CZ 3.68Å; V533-F535 HydrophobicContact CB-CE1 4.32Å; V533-F535 HydrophobicContact CG1-CD1 3.91Å; V533-F535 HydrophobicContact CG1-CE1 3.99Å; F535-Q551 HydrophobicContact CD2-CB 4.1Å; F535-Q551 HydrophobicContact CD2-CG 4.15Å; F535-Q551 HydrophobicContact CE2-CG 4.39Å; F535-Q551 VanDerWaalsContact CG-OE1 3.32Å; F535-W677 HydrophobicContact CD1-CB 3.82Å; F535-W677 AromaticContact CD1-CD1 3.64Å; F535-W677 HydrophobicContact CD1-CG 4.12Å; F535-W677 HydrophobicContact CE1-CB 3.82Å; F535-W677 HydrophobicContact CG-CB 4.47Å; F535-W677 HydrophobicContact CZ-CB 4.46Å; F535-F709 HydrophobicContact CE2-CE2 4.08Å; F535-F709 HydrophobicContact CE2-CZ 4.38Å; F535-F709 HydrophobicContact CZ-CE2 4.22Å; F535-F709 HydrophobicContact CZ-CZ 4.44Å
536	A	98.3	Very high	96.8	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.008	10%	0.097	C	C	.	.			trans	-62.7	161.6	-160.8	0	0	0	0	0	115	D534 E552 M572 A626 I627 D628	D534-A536 PolarHBondContact O-N 2.7Å; A536-E552 VanDerWaalsContact CA-CD 3.49Å; A536-E552 WeakPolarHBondContact CA-OE1 3.35Å; A536-E552 WeakPolarHBondContact CB-OE1 2.96Å; A536-M572 HydrophobicContact CB-CE 4.06Å; A536-A626 HydrophobicContact CB-CB 3.73Å; A536-I627 PolarHBondContact N-O 2.82Å; A536-D628 VanDerWaalsContact O-CA 3.25Å; A536-D628 WeakPolarHBondContact O-CA 3.23Å
537	N	98.4	Very high	96.9	Very high	46 Å²	46	22 Å²	22	25%	0.246	12%	0.116	C	C	.	.			trans	-76.7	158.1	156.9	-166.3	-81.5	0	0	0	110.4	H539 E552 M572	N537-H539 WeakPolarHBondContact CB-O 3.44Å; N537-H539 CarbonylContact O-C 3.57Å; N537-H539 PolarHBondContact O-N 3.02Å; N537-H539 PolarHBondContact OD1-N 3.34Å; N537-E552 WeakPolarHBondContact CB-OE2 3.27Å; N537-E552 VanDerWaalsContact N-CD 3.29Å; N537-E552 PolarHBondContact N-OE1 3.14Å; N537-E552 VanDerWaalsContact N-OE1 3.14Å; N537-E552 PolarHBondContact N-OE2 3.07Å; N537-M572 VanDerWaalsContact O-CE 3.28Å; N537-M572 WeakPolarHBondContact O-CE 3.32Å
538	E	97.6	Very high	97	Very high	62 Å²	62	22.9 Å²	22.9	29%	0.29	13%	0.126	S	C	.	.	S	Bend	trans	-58.9	-25.2	170.4	48.9	161.6	-134.6	0	0	112.5	K571 M572 D628	E538-K571 HydrophobicContact CB-CG 4.26Å; E538-K571 CarbonylContact O-C 3.58Å; E538-K571 WeakPolarHBondContact O-CA 3.4Å; E538-K571 VanDerWaalsContact OE1-CE 3.27Å; E538-K571 WeakPolarHBondContact OE1-CE 3.32Å; E538-K571 IonicContact OE1-NZ 2.68Å; E538-K571 PolarHBondContact OE1-NZ 3.2Å; E538-K571 WeakPolarHBondContact OE2-CE 3.06Å; E538-K571 IonicContact OE2-NZ 2.84Å; E538-K571 PolarHBondContact OE2-NZ 2.86Å; E538-M572 PolarHBondContact O-N 2.83Å; E538-D628 HydrophobicContact CB-CB 4.15Å
539	H	97.8	Very high	97.1	Very high	102 Å²	102	23.3 Å²	23.3	47%	0.472	13%	0.129	S	C	.	.	S	Bend	trans	-99.1	100.2	163.5	-56.6	84	0	0	0	109	N537 G541 G542	N537-H539 WeakPolarHBondContact CB-O 3.44Å; N537-H539 CarbonylContact O-C 3.57Å; N537-H539 PolarHBondContact O-N 3.02Å; N537-H539 PolarHBondContact OD1-N 3.34Å; H539-G541 PolarHBondContact O-N 3.07Å; H539-G542 PolarHBondContact O-N 3.42Å
540	L	98.3	Very high	97.2	Very high	9 Å²	9	26 Å²	26	5%	0.047	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44.4	134.7	-177.1	-174.9	73.1	0	0	0	113.4	G542 F556 M566 I578 I580 A626	L540-G542 VanDerWaalsContact C-N 3.29Å; L540-F556 HydrophobicContact CD1-CE2 4.35Å; L540-F556 HydrophobicContact CD1-CZ 3.72Å; L540-F556 HydrophobicContact CD2-CZ 4.15Å; L540-F556 HydrophobicContact CG-CE1 4.18Å; L540-F556 HydrophobicContact CG-CZ 3.64Å; L540-M566 WeakPolarHBondContact O-CG 3.06Å; L540-I578 HydrophobicContact CB-CD1 4.02Å; L540-I578 HydrophobicContact CD1-CD1 4.38Å; L540-I578 HydrophobicContact CD2-CD1 4Å; L540-I578 HydrophobicContact CD2-CG2 4.03Å; L540-I578 HydrophobicContact CG-CD1 4.37Å; L540-I580 HydrophobicContact CD2-CD1 4.33Å; L540-A626 HydrophobicContact CD1-CB 3.35Å
541	G	97.6	Very high	97.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	85	-5	-176.2	0	0	0	0	0	113.9	H539 G543 V544 E552	H539-G541 PolarHBondContact O-N 3.07Å; G541-G543 PolarHBondContact O-N 3.39Å; G541-V544 WeakPolarHBondContact O-CB 3.38Å; G541-V544 WeakPolarHBondContact O-CG1 3.34Å; G541-V544 PolarHBondContact O-N 3.3Å; G541-E552 WeakPolarHBondContact CA-OE1 3.39Å; G541-E552 PolarHBondContact N-OE1 3.4Å
542	G	96.5	Very high	97.3	Very high	24 Å²	24	27.2 Å²	27.2	25%	0.247	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.7	-119.7	167.2	0	0	0	0	0	115	H539 L540 V544 E552	H539-G542 PolarHBondContact O-N 3.42Å; L540-G542 VanDerWaalsContact C-N 3.29Å; G542-V544 VanDerWaalsContact C-N 3.34Å; G542-V544 PolarHBondContact O-N 3.13Å; G542-E552 VanDerWaalsContact CA-OE2 3.28Å; G542-E552 WeakPolarHBondContact CA-OE2 3.35Å; G542-E552 PolarHBondContact N-OE1 3.01Å; G542-E552 PolarHBondContact N-OE2 3.09Å
543	G	96.9	Very high	97.3	Very high	15 Å²	15	27.7 Å²	27.7	16%	0.155	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	11.7	179.7	0	0	0	0	0	115.2	K469 G541 L545 N546 G548 E553	K469-G543 PolarHBondContact NZ-O 3.01Å; G541-G543 PolarHBondContact O-N 3.39Å; G543-L545 VanDerWaalsContact C-N 3.27Å; G543-L545 PolarHBondContact O-N 3.05Å; G543-N546 CarbonylContact O-C 3.37Å; G543-N546 VanDerWaalsContact O-C 3.3Å; G543-N546 WeakPolarHBondContact O-CA 3.35Å; G543-N546 PolarHBondContact O-N 2.81Å; G543-G548 PolarHBondContact O-N 2.91Å; G543-G548 VanDerWaalsContact O-N 3.15Å; G543-E553 WeakPolarHBondContact CA-OE1 3.23Å; G543-E553 PolarHBondContact N-OE1 3.37Å
544	V	98.3	Very high	97.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-31.5	-167	77	0	0	0	0	113.1	K469 G541 G542 N546 E553 F556 L557 M563 M566	K469-V544 PolarHBondContact NZ-O 3.22Å; G541-V544 WeakPolarHBondContact O-CB 3.38Å; G541-V544 WeakPolarHBondContact O-CG1 3.34Å; G541-V544 PolarHBondContact O-N 3.3Å; G542-V544 VanDerWaalsContact C-N 3.34Å; G542-V544 PolarHBondContact O-N 3.13Å; V544-N546 VanDerWaalsContact C-N 3.31Å; V544-E553 HydrophobicContact CB-CB 4Å; V544-E553 HydrophobicContact CB-CG 3.81Å; V544-E553 HydrophobicContact CG2-CB 4.03Å; V544-E553 HydrophobicContact CG2-CG 4.39Å; V544-F556 HydrophobicContact CB-CB 4.4Å; V544-F556 HydrophobicContact CG2-CB 3.92Å; V544-L557 HydrophobicContact CG2-CD1 4.48Å; V544-L557 HydrophobicContact CG2-CD2 4.18Å; V544-L557 HydrophobicContact CG2-CG 3.89Å; V544-M563 HydrophobicContact CG1-CE 4.23Å; V544-M563 HydrophobicContact CG2-CE 3.69Å; V544-M566 HydrophobicContact CG1-CE 3.98Å; V544-M566 HydrophobicContact CG1-SD 3.81Å
545	L	97.4	Very high	97.3	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.021	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-2.8	174.6	-52.8	-179.6	0	0	0	113.7	M444 P452 F455 R457 I458 G543 M563 M566	M444-L545 HydrophobicContact CE-CD1 3.89Å; M444-L545 HydrophobicContact CE-CD2 3.74Å; M444-L545 HydrophobicContact CE-CG 4.45Å; P452-L545 VanDerWaalsContact O-CD1 3.3Å; P452-L545 WeakPolarHBondContact O-CD1 3.39Å; F455-L545 HydrophobicContact CD1-CD2 3.46Å; F455-L545 VanDerWaalsContact CD1-CD2 3.46Å; F455-L545 HydrophobicContact CE1-CD2 3.3Å; F455-L545 HydrophobicContact CZ-CD2 4.28Å; R457-L545 VanDerWaalsContact CB-O 3.3Å; R457-L545 WeakPolarHBondContact CB-O 3.23Å; I458-L545 WeakPolarHBondContact CG1-O 3.26Å; I458-L545 PolarHBondContact N-O 3.08Å; G543-L545 VanDerWaalsContact C-N 3.27Å; G543-L545 PolarHBondContact O-N 3.05Å; L545-M563 HydrophobicContact CD2-SD 4.36Å; L545-M566 HydrophobicContact CD1-CE 3.86Å; L545-M566 HydrophobicContact CD1-SD 4.45Å; L545-M566 HydrophobicContact CG-CE 4.05Å
546	N	94.6	Very high	97.3	Very high	45 Å²	45	26.3 Å²	26.3	24%	0.241	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.7	-139.8	-179.1	-47.7	-79.4	0	0	0	109.1	R457 K469 G543 V544	R457-N546 WeakPolarHBondContact CD-OD1 3.36Å; R457-N546 PolarHBondContact NH1-OD1 3.21Å; R457-N546 VanDerWaalsContact NH1-OD1 3.08Å; K469-N546 PolarHBondContact NZ-O 2.94Å; G543-N546 CarbonylContact O-C 3.37Å; G543-N546 VanDerWaalsContact O-C 3.3Å; G543-N546 WeakPolarHBondContact O-CA 3.35Å; G543-N546 PolarHBondContact O-N 2.81Å; V544-N546 VanDerWaalsContact C-N 3.31Å
547	H	93.4	Very high	97.3	Very high	109 Å²	109	26.3 Å²	26.3	51%	0.505	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-6.7	178.8	-52.1	101.7	0	0	0	115.4	S461 K463 S549	S461-H547 WeakPolarHBondContact CB-NE2 3.49Å; S461-H547 PolarHBondContact OG-CD2 3.38Å; S461-H547 PolarHBondContact OG-NE2 2.91Å; K463-H547 WeakPolarHBondContact CG-NE2 3.46Å; H547-S549 PolarHBondContact O-OG 2.78Å
548	G	94.9	Very high	97.3	Very high	21 Å²	21	24.1 Å²	24.1	22%	0.216	14%	0.135	C	C	.	.			trans	-61.8	135.9	-176.5	0	0	0	0	0	112.5	K469 G543 E553	K469-G548 WeakPolarHBondContact CE-O 3.29Å; K469-G548 PolarHBondContact NZ-O 2.91Å; G543-G548 PolarHBondContact O-N 2.91Å; G543-G548 VanDerWaalsContact O-N 3.15Å; G548-E553 VanDerWaalsContact C-CG 3.49Å; G548-E553 WeakPolarHBondContact CA-OE1 3.5Å; G548-E553 VanDerWaalsContact O-CB 3.29Å; G548-E553 WeakPolarHBondContact O-CB 3.3Å; G548-E553 WeakPolarHBondContact O-CG 3.33Å
549	S	96.1	Very high	97.4	Very high	10 Å²	10	21.2 Å²	21.2	7%	0.07	12%	0.121	C	C	.	.			trans	-154.4	34.4	-171.2	48.1	0	0	0	0	111.8	H547 E553 I554 G593	H547-S549 PolarHBondContact O-OG 2.78Å; S549-E553 PolarHBondContact N-OE2 3.11Å; S549-I554 WeakPolarHBondContact O-CD1 3.28Å; S549-G593 WeakPolarHBondContact CB-O 3.41Å; S549-G593 WeakPolarHBondContact O-CA 3.46Å; S549-G593 PolarHBondContact O-N 3.14Å; S549-G593 WeakPolarHBondContact OG-CA 3.33Å; S549-G593 PolarHBondContact OG-O 2.96Å
550	V	96.3	Very high	97.4	Very high	57 Å²	57	16.3 Å²	16.3	35%	0.345	10%	0.099	S	C	.	.	S	Bend	trans	-97.2	-168.6	171.1	-64.9	0	0	0	0	109.7	E552 E553 I554 Y592	V550-E552 PolarHBondContact O-N 3.22Å; V550-E553 WeakPolarHBondContact CG2-OE2 3.28Å; V550-E553 PolarHBondContact N-OE2 3.46Å; V550-E553 PolarHBondContact O-N 2.9Å; V550-E553 VanDerWaalsContact O-N 3.14Å; V550-I554 WeakPolarHBondContact O-CB 3.43Å; V550-I554 WeakPolarHBondContact O-CG1 3.48Å; V550-I554 PolarHBondContact O-N 3.09Å; V550-Y592 HydrophobicContact CB-CE1 4.15Å; V550-Y592 HydrophobicContact CB-CE2 4.46Å; V550-Y592 WeakPolarHBondContact CB-OH 3.28Å; V550-Y592 HydrophobicContact CG1-CE1 3.82Å
551	Q	97.7	Very high	97.5	Very high	16 Å²	16	15.9 Å²	15.9	8%	0.075	10%	0.096	C	C	.	.	H	α-helix	trans	-54.6	-42.5	-166.1	-170.3	-97.4	-7.5	0	0	115.1	V533 F535 R555 Y592	V533-Q551 PolarHBondContact O-NE2 3.26Å; F535-Q551 HydrophobicContact CD2-CB 4.1Å; F535-Q551 HydrophobicContact CD2-CG 4.15Å; F535-Q551 HydrophobicContact CE2-CG 4.39Å; F535-Q551 VanDerWaalsContact CG-OE1 3.32Å; Q551-R555 WeakPolarHBondContact O-CB 3.26Å; Q551-R555 PolarHBondContact O-N 3.08Å; Q551-R555 VanDerWaalsContact O-N 3.07Å; Q551-Y592 HydrophobicContact CB-CE2 4.39Å; Q551-Y592 PolarHBondContact N-OH 3.49Å
552	E	98.4	Very high	97.5	Very high	9 Å²	9	15.9 Å²	15.9	4%	0.042	10%	0.096	C	C	.	.	H	α-helix	trans	-60.3	-55.3	174.3	177	177.3	-142.4	0	0	111	D534 A536 N537 G541 G542 V550 I554 R555 F556	D534-E552 WeakPolarHBondContact OD1-CA 3.44Å; D534-E552 WeakPolarHBondContact OD1-CB 3.34Å; D534-E552 WeakPolarHBondContact OD1-CG 3.4Å; A536-E552 VanDerWaalsContact CA-CD 3.49Å; A536-E552 WeakPolarHBondContact CA-OE1 3.35Å; A536-E552 WeakPolarHBondContact CB-OE1 2.96Å; N537-E552 WeakPolarHBondContact CB-OE2 3.27Å; N537-E552 VanDerWaalsContact N-CD 3.29Å; N537-E552 PolarHBondContact N-OE1 3.14Å; N537-E552 VanDerWaalsContact N-OE1 3.14Å; N537-E552 PolarHBondContact N-OE2 3.07Å; G541-E552 WeakPolarHBondContact CA-OE1 3.39Å; G541-E552 PolarHBondContact N-OE1 3.4Å; G542-E552 VanDerWaalsContact CA-OE2 3.28Å; G542-E552 WeakPolarHBondContact CA-OE2 3.35Å; G542-E552 PolarHBondContact N-OE1 3.01Å; G542-E552 PolarHBondContact N-OE2 3.09Å; V550-E552 PolarHBondContact O-N 3.22Å; E552-I554 PolarHBondContact O-N 2.78Å; E552-R555 PolarHBondContact O-N 3.07Å; E552-F556 HydrophobicContact CG-CD2 4.19Å; E552-F556 HydrophobicContact CG-CE2 4.17Å; E552-F556 VanDerWaalsContact O-CD2 3.24Å; E552-F556 WeakPolarHBondContact O-CD2 3.34Å; E552-F556 PolarHBondContact O-N 3.48Å
553	E	98.8	Very high	97.6	Very high	13 Å²	13	14.8 Å²	14.8	6%	0.061	9%	0.085	C	C	.	.	H	α-helix	trans	-66.6	-36.8	-175.5	-60.8	98.4	168.8	0	0	112.8	G543 V544 G548 S549 V550 F556 L557	G543-E553 WeakPolarHBondContact CA-OE1 3.23Å; G543-E553 PolarHBondContact N-OE1 3.37Å; V544-E553 HydrophobicContact CB-CB 4Å; V544-E553 HydrophobicContact CB-CG 3.81Å; V544-E553 HydrophobicContact CG2-CB 4.03Å; V544-E553 HydrophobicContact CG2-CG 4.39Å; G548-E553 VanDerWaalsContact C-CG 3.49Å; G548-E553 WeakPolarHBondContact CA-OE1 3.5Å; G548-E553 VanDerWaalsContact O-CB 3.29Å; G548-E553 WeakPolarHBondContact O-CB 3.3Å; G548-E553 WeakPolarHBondContact O-CG 3.33Å; S549-E553 PolarHBondContact N-OE2 3.11Å; V550-E553 WeakPolarHBondContact CG2-OE2 3.28Å; V550-E553 PolarHBondContact N-OE2 3.46Å; V550-E553 PolarHBondContact O-N 2.9Å; V550-E553 VanDerWaalsContact O-N 3.14Å; E553-F556 PolarHBondContact O-N 2.74Å; E553-L557 WeakPolarHBondContact O-CB 3.45Å; E553-L557 WeakPolarHBondContact O-CD1 3.36Å; E553-L557 WeakPolarHBondContact O-CG 3.24Å; E553-L557 PolarHBondContact O-N 3.14Å
554	I	98.6	Very high	97.7	Very high	2 Å²	2	14 Å²	14	1%	0.01	8%	0.077	C	C	.	.	H	α-helix	trans	-59.9	-47.8	174.4	-70.6	169.5	0	0	0	110	S549 V550 E552 F556 L557 M558 Y589 Y592 L596	S549-I554 WeakPolarHBondContact O-CD1 3.28Å; V550-I554 WeakPolarHBondContact O-CB 3.43Å; V550-I554 WeakPolarHBondContact O-CG1 3.48Å; V550-I554 PolarHBondContact O-N 3.09Å; E552-I554 PolarHBondContact O-N 2.78Å; I554-F556 VanDerWaalsContact C-N 3.32Å; I554-F556 PolarHBondContact O-N 2.68Å; I554-L557 PolarHBondContact O-N 2.87Å; I554-L557 VanDerWaalsContact O-N 3.09Å; I554-M558 HydrophobicContact CG2-CG 4.44Å; I554-M558 HydrophobicContact CG2-SD 4.14Å; I554-M558 WeakPolarHBondContact O-CG 3.37Å; I554-M558 PolarHBondContact O-N 3.25Å; I554-Y589 HydrophobicContact CD1-CD2 4.42Å; I554-Y589 HydrophobicContact CD1-CE2 4.07Å; I554-Y589 HydrophobicContact CG2-CD1 3.59Å; I554-Y589 HydrophobicContact CG2-CD2 4.09Å; I554-Y589 HydrophobicContact CG2-CE1 3.45Å; I554-Y589 VanDerWaalsContact CG2-CE1 3.45Å; I554-Y589 HydrophobicContact CG2-CE2 3.96Å; I554-Y589 HydrophobicContact CG2-CG 3.9Å; I554-Y592 HydrophobicContact CD1-CD2 3.43Å; I554-Y592 VanDerWaalsContact CD1-CD2 3.43Å; I554-Y592 HydrophobicContact CD1-CE2 3.8Å; I554-Y592 HydrophobicContact CD1-CG 4.33Å; I554-L596 HydrophobicContact CD1-CD1 3.98Å; I554-L596 HydrophobicContact CD1-CD2 4.4Å; I554-L596 HydrophobicContact CG1-CD1 3.86Å; I554-L596 HydrophobicContact CG1-CD2 3.7Å; I554-L596 HydrophobicContact CG1-CG 4.39Å
555	R	98.6	Very high	97.7	Very high	8 Å²	8	14 Å²	14	3%	0.03	8%	0.077	C	C	.	.	H	α-helix	trans	-62	-40.6	179.3	-179.4	56.8	-179.1	-158.2	-5.4	111.9	E525 Q551 E552 L557 M558 C559 M562 Q608 T624	E525-R555 VanDerWaalsContact CB-NH1 3.31Å; Q551-R555 WeakPolarHBondContact O-CB 3.26Å; Q551-R555 PolarHBondContact O-N 3.08Å; Q551-R555 VanDerWaalsContact O-N 3.07Å; E552-R555 PolarHBondContact O-N 3.07Å; R555-L557 VanDerWaalsContact C-N 3.33Å; R555-L557 PolarHBondContact O-N 3.38Å; R555-M558 PolarHBondContact O-N 3.24Å; R555-C559 PolarHBondContact O-N 3.11Å; R555-M562 HydrophobicContact CG-CE 3.96Å; R555-M562 HydrophobicContact CG-SD 3.83Å; R555-Q608 VanDerWaalsContact NH1-NE2 3.16Å; R555-Q608 VanDerWaalsContact NH2-NE2 3.19Å; R555-T624 HydrophobicContact CG-CG2 4.44Å; R555-T624 PolarHBondContact NH2-OG1 3.22Å
556	F	98.8	Very high	97.8	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-69.3	-25.8	175	-83.9	-116.6	0	0	0	113.4	L540 V544 E552 E553 I554 C559 P560 M562 M563 M566 I580	L540-F556 HydrophobicContact CD1-CE2 4.35Å; L540-F556 HydrophobicContact CD1-CZ 3.72Å; L540-F556 HydrophobicContact CD2-CZ 4.15Å; L540-F556 HydrophobicContact CG-CE1 4.18Å; L540-F556 HydrophobicContact CG-CZ 3.64Å; V544-F556 HydrophobicContact CB-CB 4.4Å; V544-F556 HydrophobicContact CG2-CB 3.92Å; E552-F556 HydrophobicContact CG-CD2 4.19Å; E552-F556 HydrophobicContact CG-CE2 4.17Å; E552-F556 VanDerWaalsContact O-CD2 3.24Å; E552-F556 WeakPolarHBondContact O-CD2 3.34Å; E552-F556 PolarHBondContact O-N 3.48Å; E553-F556 PolarHBondContact O-N 2.74Å; I554-F556 VanDerWaalsContact C-N 3.32Å; I554-F556 PolarHBondContact O-N 2.68Å; F556-C559 CarbonylContact O-C 3.51Å; F556-P560 VanDerWaalsContact O-CA 3.23Å; F556-P560 WeakPolarHBondContact O-CA 3.34Å; F556-M562 HydrophobicContact CD1-CB 3.7Å; F556-M562 HydrophobicContact CD2-CB 4.25Å; F556-M562 HydrophobicContact CD2-CE 3.83Å; F556-M562 HydrophobicContact CD2-SD 4.41Å; F556-M562 VanDerWaalsContact CE1-C 3.48Å; F556-M562 HydrophobicContact CE1-CB 3.67Å; F556-M562 VanDerWaalsContact CE1-O 3.26Å; F556-M562 WeakPolarHBondContact CE1-O 3.36Å; F556-M562 HydrophobicContact CE2-CB 4.24Å; F556-M562 HydrophobicContact CE2-CE 3.45Å; F556-M562 VanDerWaalsContact CE2-CE 3.45Å; F556-M562 HydrophobicContact CG-CB 3.99Å; F556-M562 HydrophobicContact CZ-CB 3.93Å; F556-M562 HydrophobicContact CZ-CE 3.98Å; F556-M563 HydrophobicContact CB-CE 4.45Å; F556-M563 HydrophobicContact CD1-CG 4.03Å; F556-M563 WeakPolarHBondContact O-CE 3.22Å; F556-M566 HydrophobicContact CE1-CG 4.15Å; F556-I580 HydrophobicContact CZ-CD1 4.41Å
557	L	98.8	Very high	97.9	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-79.3	-37.7	173.6	-71.9	161.8	0	0	0	112.3	K469 F472 V544 E553 I554 R555 C559 P560 M563 L596	K469-L557 HydrophobicContact CB-CD2 3.97Å; K469-L557 HydrophobicContact CD-CD1 4.3Å; K469-L557 HydrophobicContact CD-CD2 4.31Å; K469-L557 HydrophobicContact CG-CD1 3.79Å; K469-L557 HydrophobicContact CG-CD2 3.82Å; K469-L557 HydrophobicContact CG-CG 4.46Å; F472-L557 HydrophobicContact CB-CB 4.13Å; F472-L557 HydrophobicContact CB-CD2 4.1Å; F472-L557 HydrophobicContact CD1-CB 3.77Å; F472-L557 WeakPolarHBondContact CD1-O 3.48Å; F472-L557 HydrophobicContact CD2-CB 4.13Å; F472-L557 HydrophobicContact CD2-CD1 4.44Å; F472-L557 HydrophobicContact CD2-CD2 4.36Å; F472-L557 HydrophobicContact CE1-CB 4.19Å; F472-L557 HydrophobicContact CG-CB 3.76Å; F472-L557 HydrophobicContact CG-CD2 4.33Å; V544-L557 HydrophobicContact CG2-CD1 4.48Å; V544-L557 HydrophobicContact CG2-CD2 4.18Å; V544-L557 HydrophobicContact CG2-CG 3.89Å; E553-L557 WeakPolarHBondContact O-CB 3.45Å; E553-L557 WeakPolarHBondContact O-CD1 3.36Å; E553-L557 WeakPolarHBondContact O-CG 3.24Å; E553-L557 PolarHBondContact O-N 3.14Å; I554-L557 PolarHBondContact O-N 2.87Å; I554-L557 VanDerWaalsContact O-N 3.09Å; R555-L557 VanDerWaalsContact C-N 3.33Å; R555-L557 PolarHBondContact O-N 3.38Å; L557-C559 VanDerWaalsContact C-N 3.29Å; L557-P560 WeakPolarHBondContact O-CD 3.29Å; L557-P560 WeakPolarHBondContact O-CG 3.44Å; L557-M563 HydrophobicContact CD2-CE 4.44Å; L557-L596 HydrophobicContact CD1-CD2 4.09Å
558	M	98.7	Very high	98.1	Very high	1 Å²	1	8.5 Å²	8.5	1%	0.005	5%	0.051	C	C	.	.	H	α-helix	trans	-65.1	-34.5	171.9	-68.4	178.2	79.6	0	0	112.2	F472 E525 I554 R555 V585 F586 Y589 H605	F472-M558 HydrophobicContact CE1-CG 4.41Å; E525-M558 HydrophobicContact CG-CE 4.1Å; E525-M558 HydrophobicContact CG-SD 4.04Å; I554-M558 HydrophobicContact CG2-CG 4.44Å; I554-M558 HydrophobicContact CG2-SD 4.14Å; I554-M558 WeakPolarHBondContact O-CG 3.37Å; I554-M558 PolarHBondContact O-N 3.25Å; R555-M558 PolarHBondContact O-N 3.24Å; M558-V585 HydrophobicContact CB-CG1 4.33Å; M558-V585 HydrophobicContact CE-CG1 4.07Å; M558-F586 PolarHBondContact O-N 3.1Å; M558-Y589 HydrophobicContact CE-CD1 4.22Å; M558-Y589 HydrophobicContact CE-CE1 4.39Å; M558-Y589 HydrophobicContact CG-CD1 4.22Å; M558-Y589 HydrophobicContact SD-CD1 3.57Å; M558-Y589 VanDerWaalsContact SD-CD1 3.57Å; M558-Y589 HydrophobicContact SD-CE1 3.64Å; M558-H605 HydrophobicContact CE-CB 3.77Å
559	C	98.7	Very high	98.1	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.043	C	C	.	.	S	Bend	trans	-127.7	69.1	-176.8	-45.6	0	0	0	0	111.7	R555 F556 L557 E561 M562 A583 Y584	R555-C559 PolarHBondContact O-N 3.11Å; F556-C559 CarbonylContact O-C 3.51Å; L557-C559 VanDerWaalsContact C-N 3.29Å; C559-E561 PolarHBondContact O-N 3.44Å; C559-M562 HydrophobicContact CB-CG 4.05Å; C559-M562 HydrophobicContact CB-SD 3.78Å; C559-M562 WeakPolarHBondContact O-CB 3.48Å; C559-M562 WeakPolarHBondContact O-CG 3.32Å; C559-M562 PolarHBondContact O-N 3.3Å; C559-A583 HydrophobicContact CB-CB 4.39Å; C559-Y584 WeakPolarHBondContact CA-O 3.41Å; C559-Y584 WeakPolarHBondContact CB-O 3.29Å
560	P	98.8	Very high	98	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.057	C	C	.	.	G	3₁₀ helix	trans	-59.4	-17.1	-170.9	-29.2	39.9	0	0	0	116	L473 Y476 F556 L557 M562 M563	L473-P560 HydrophobicContact CD2-CB 4.35Å; L473-P560 HydrophobicContact CD2-CG 4.47Å; Y476-P560 HydrophobicContact CD1-CB 3.81Å; Y476-P560 HydrophobicContact CD1-CG 4.23Å; Y476-P560 HydrophobicContact CD2-CB 4.25Å; Y476-P560 HydrophobicContact CD2-CG 4.25Å; Y476-P560 HydrophobicContact CE1-CB 4.06Å; Y476-P560 HydrophobicContact CE2-CB 4.49Å; Y476-P560 HydrophobicContact CG-CB 3.9Å; Y476-P560 HydrophobicContact CG-CG 3.87Å; F556-P560 VanDerWaalsContact O-CA 3.23Å; F556-P560 WeakPolarHBondContact O-CA 3.34Å; L557-P560 WeakPolarHBondContact O-CD 3.29Å; L557-P560 WeakPolarHBondContact O-CG 3.44Å; P560-M562 PolarHBondContact O-N 2.81Å; P560-M563 HydrophobicContact CB-CE 4.48Å; P560-M563 VanDerWaalsContact O-CB 3.26Å; P560-M563 WeakPolarHBondContact O-CB 3.35Å; P560-M563 WeakPolarHBondContact O-CG 3.16Å; P560-M563 PolarHBondContact O-N 3.41Å
561	E	98.8	Very high	98	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-55.3	-30.5	169.4	-54.3	-171.8	127.6	0	0	112.7	H434 C437 Y476 V489 F491 C559 M563 V564 Y584 F586	H434-E561 WeakPolarHBondContact CA-OE1 3.4Å; H434-E561 WeakPolarHBondContact CB-OE1 3.34Å; H434-E561 IonicContact CE1-OE2 3.87Å; H434-E561 IonicContact CG-OE1 2.72Å; H434-E561 VanDerWaalsContact ND1-CD 3.26Å; H434-E561 IonicContact ND1-OE1 3.67Å; H434-E561 PolarHBondContact ND1-OE1 3.01Å; H434-E561 IonicContact ND1-OE2 3.96Å; H434-E561 PolarHBondContact ND1-OE2 3.44Å; C437-E561 HydrophobicContact CB-CB 4.15Å; C437-E561 HydrophobicContact CB-CG 4.18Å; Y476-E561 HydrophobicContact CE2-CG 3.77Å; V489-E561 HydrophobicContact CG2-CB 4.4Å; V489-E561 WeakPolarHBondContact CG2-OE2 3.38Å; F491-E561 WeakPolarHBondContact CZ-O 3.44Å; C559-E561 PolarHBondContact O-N 3.44Å; E561-M563 PolarHBondContact O-N 2.11Å; E561-V564 WeakPolarHBondContact O-CB 3.34Å; E561-V564 WeakPolarHBondContact O-CG2 3.33Å; E561-V564 PolarHBondContact O-N 3.42Å; E561-V564 VanDerWaalsContact O-N 3.09Å; E561-Y584 PolarHBondContact OE2-N 2.62Å; E561-F586 HydrophobicContact CG-CE2 3.91Å; E561-F586 HydrophobicContact CG-CZ 4.41Å
562	M	98.8	Very high	98	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.059	C	C	.	.	G	3₁₀ helix	trans	-60.1	-26.1	175.5	-65.8	178.4	68.4	0	0	112.5	R555 F556 C559 P560 V564 G565 I580 A583 T624	R555-M562 HydrophobicContact CG-CE 3.96Å; R555-M562 HydrophobicContact CG-SD 3.83Å; F556-M562 HydrophobicContact CD1-CB 3.7Å; F556-M562 HydrophobicContact CD2-CB 4.25Å; F556-M562 HydrophobicContact CD2-CE 3.83Å; F556-M562 HydrophobicContact CD2-SD 4.41Å; F556-M562 VanDerWaalsContact CE1-C 3.48Å; F556-M562 HydrophobicContact CE1-CB 3.67Å; F556-M562 VanDerWaalsContact CE1-O 3.26Å; F556-M562 WeakPolarHBondContact CE1-O 3.36Å; F556-M562 HydrophobicContact CE2-CB 4.24Å; F556-M562 HydrophobicContact CE2-CE 3.45Å; F556-M562 VanDerWaalsContact CE2-CE 3.45Å; F556-M562 HydrophobicContact CG-CB 3.99Å; F556-M562 HydrophobicContact CZ-CB 3.93Å; F556-M562 HydrophobicContact CZ-CE 3.98Å; C559-M562 HydrophobicContact CB-CG 4.05Å; C559-M562 HydrophobicContact CB-SD 3.78Å; C559-M562 WeakPolarHBondContact O-CB 3.48Å; C559-M562 WeakPolarHBondContact O-CG 3.32Å; C559-M562 PolarHBondContact O-N 3.3Å; P560-M562 PolarHBondContact O-N 2.81Å; M562-V564 PolarHBondContact O-N 3.2Å; M562-V564 VanDerWaalsContact O-N 3.16Å; M562-G565 WeakPolarHBondContact O-CA 3.35Å; M562-G565 PolarHBondContact O-N 3.2Å; M562-I580 HydrophobicContact CB-CD1 4.09Å; M562-I580 HydrophobicContact CE-CD1 3.92Å; M562-I580 HydrophobicContact CG-CD1 4.12Å; M562-I580 HydrophobicContact CG-CG2 4.3Å; M562-A583 HydrophobicContact CG-CB 3.87Å; M562-T624 HydrophobicContact CE-CG2 3.57Å
563	M	98.8	Very high	97.8	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-62.7	-21	176.2	-59.9	-175.1	-172.8	0	0	113.1	V441 M444 F455 L473 V544 L545 F556 L557 P560 E561 G565 M566	V441-M563 HydrophobicContact CG1-SD 4.34Å; V441-M563 HydrophobicContact CG2-CB 4.25Å; M444-M563 HydrophobicContact CE-CB 4.28Å; M444-M563 HydrophobicContact CE-SD 4.44Å; M444-M563 HydrophobicContact SD-CB 4.24Å; F455-M563 HydrophobicContact CE1-CE 4.42Å; F455-M563 HydrophobicContact CE1-SD 3.75Å; F455-M563 HydrophobicContact CZ-SD 3.59Å; F455-M563 VanDerWaalsContact CZ-SD 3.59Å; L473-M563 HydrophobicContact CD2-CE 4Å; L473-M563 HydrophobicContact CD2-SD 4.29Å; V544-M563 HydrophobicContact CG1-CE 4.23Å; V544-M563 HydrophobicContact CG2-CE 3.69Å; L545-M563 HydrophobicContact CD2-SD 4.36Å; F556-M563 HydrophobicContact CB-CE 4.45Å; F556-M563 HydrophobicContact CD1-CG 4.03Å; F556-M563 WeakPolarHBondContact O-CE 3.22Å; L557-M563 HydrophobicContact CD2-CE 4.44Å; P560-M563 HydrophobicContact CB-CE 4.48Å; P560-M563 VanDerWaalsContact O-CB 3.26Å; P560-M563 WeakPolarHBondContact O-CB 3.35Å; P560-M563 WeakPolarHBondContact O-CG 3.16Å; P560-M563 PolarHBondContact O-N 3.41Å; E561-M563 PolarHBondContact O-N 2.11Å; M563-G565 PolarHBondContact O-N 3.45Å; M563-M566 HydrophobicContact CB-SD 4.03Å; M563-M566 HydrophobicContact CG-SD 4.14Å; M563-M566 VanDerWaalsContact O-CB 3.23Å; M563-M566 WeakPolarHBondContact O-CB 3.11Å; M563-M566 WeakPolarHBondContact O-CG 3.37Å; M563-M566 PolarHBondContact O-N 3.18Å
564	V	98.8	Very high	97.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62.9	-29.9	170.7	179.5	0	0	0	0	111.3	L432 C437 L440 V441 F491 E561 M562 M566 L567 L568	L432-V564 HydrophobicContact CD2-CG1 4.48Å; C437-V564 HydrophobicContact CB-CG2 3.85Å; L440-V564 HydrophobicContact CB-CG2 4.16Å; L440-V564 HydrophobicContact CD1-CG1 3.74Å; L440-V564 HydrophobicContact CD1-CG2 4.32Å; V441-V564 HydrophobicContact CG2-CG2 3.82Å; F491-V564 HydrophobicContact CE1-CB 4.21Å; F491-V564 HydrophobicContact CE2-CB 4.12Å; F491-V564 HydrophobicContact CE2-CG1 3.98Å; F491-V564 HydrophobicContact CZ-CB 3.69Å; F491-V564 HydrophobicContact CZ-CG1 4.07Å; E561-V564 WeakPolarHBondContact O-CB 3.34Å; E561-V564 WeakPolarHBondContact O-CG2 3.33Å; E561-V564 PolarHBondContact O-N 3.42Å; E561-V564 VanDerWaalsContact O-N 3.09Å; M562-V564 PolarHBondContact O-N 3.2Å; M562-V564 VanDerWaalsContact O-N 3.16Å; V564-M566 VanDerWaalsContact C-N 3.25Å; V564-M566 PolarHBondContact O-N 2.71Å; V564-L567 WeakPolarHBondContact O-CB 3.47Å; V564-L567 PolarHBondContact O-N 3.37Å; V564-L567 VanDerWaalsContact O-N 3.12Å; V564-L568 HydrophobicContact CG1-CD1 3.84Å; V564-L568 HydrophobicContact CG1-CG 4.18Å; V564-L568 WeakPolarHBondContact O-CG 3.09Å; V564-L568 PolarHBondContact O-N 3.01Å
565	G	98.3	Very high	97.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-59.3	-34.8	171.1	0	0	0	0	0	112.8	M562 M563 L567 L568 C569	M562-G565 WeakPolarHBondContact O-CA 3.35Å; M562-G565 PolarHBondContact O-N 3.2Å; M563-G565 PolarHBondContact O-N 3.45Å; G565-L567 VanDerWaalsContact C-N 3.3Å; G565-L567 PolarHBondContact O-N 3.37Å; G565-L568 PolarHBondContact O-N 3.17Å; G565-C569 VanDerWaalsContact O-CB 3.26Å; G565-C569 WeakPolarHBondContact O-CB 3.44Å; G565-C569 PolarHBondContact O-N 3Å; G565-C569 PolarHBondContact O-SG 2.79Å; G565-C569 VanDerWaalsContact O-SG 3.42Å
566	M	98.1	Very high	97.2	Very high	20 Å²	20	25 Å²	25	10%	0.099	12%	0.116	C	C	.	.	H	α-helix	trans	-64.2	-37.8	175.9	-46.2	176.4	70.8	0	0	111.3	F453 L540 V544 L545 F556 M563 V564	F453-M566 HydrophobicContact CD1-CB 4.17Å; F453-M566 HydrophobicContact CE1-CB 4.14Å; F453-M566 WeakPolarHBondContact CE1-O 3.39Å; F453-M566 WeakPolarHBondContact CZ-O 3.37Å; L540-M566 WeakPolarHBondContact O-CG 3.06Å; V544-M566 HydrophobicContact CG1-CE 3.98Å; V544-M566 HydrophobicContact CG1-SD 3.81Å; L545-M566 HydrophobicContact CD1-CE 3.86Å; L545-M566 HydrophobicContact CD1-SD 4.45Å; L545-M566 HydrophobicContact CG-CE 4.05Å; F556-M566 HydrophobicContact CE1-CG 4.15Å; M563-M566 HydrophobicContact CB-SD 4.03Å; M563-M566 HydrophobicContact CG-SD 4.14Å; M563-M566 VanDerWaalsContact O-CB 3.23Å; M563-M566 WeakPolarHBondContact O-CB 3.11Å; M563-M566 WeakPolarHBondContact O-CG 3.37Å; M563-M566 PolarHBondContact O-N 3.18Å; V564-M566 VanDerWaalsContact C-N 3.25Å; V564-M566 PolarHBondContact O-N 2.71Å
567	L	97	Very high	97.2	Very high	22 Å²	22	25 Å²	25	12%	0.115	12%	0.116	C	C	.	.	H	α-helix	trans	-69.6	-41.9	175.8	-57.4	175.8	0	0	0	111.2	L322 R422 L440 M444 F453 V564 G565	L322-L567 HydrophobicContact CD1-CB 4.32Å; L322-L567 WeakPolarHBondContact CD2-O 3.18Å; R422-L567 PolarHBondContact NE-O 2.93Å; R422-L567 PolarHBondContact NH2-O 2.78Å; L440-L567 HydrophobicContact CB-CD1 3.94Å; L440-L567 HydrophobicContact CD2-CD1 4.45Å; M444-L567 HydrophobicContact SD-CD1 4.45Å; F453-L567 HydrophobicContact CB-CD2 3.7Å; F453-L567 HydrophobicContact CD1-CD2 3.99Å; F453-L567 HydrophobicContact CD2-CD2 3.86Å; F453-L567 HydrophobicContact CG-CD2 3.56Å; V564-L567 WeakPolarHBondContact O-CB 3.47Å; V564-L567 PolarHBondContact O-N 3.37Å; V564-L567 VanDerWaalsContact O-N 3.12Å; G565-L567 VanDerWaalsContact C-N 3.3Å; G565-L567 PolarHBondContact O-N 3.37Å
568	L	97.5	Very high	97.2	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-78	-34.2	-173.5	-70.1	171.1	0	0	0	113.8	L322 I420 Y421 R422 L423 A430 L432 F491 V564 G565	L322-L568 HydrophobicContact CD1-CD2 4.33Å; I420-L568 HydrophobicContact CG2-CD2 3.6Å; Y421-L568 WeakPolarHBondContact O-CD2 3.42Å; R422-L568 CarbonylContact C-O 3.3Å; R422-L568 WeakPolarHBondContact CA-O 3.42Å; R422-L568 WeakPolarHBondContact CB-O 3.44Å; L423-L568 HydrophobicContact CG-CB 4.31Å; L423-L568 PolarHBondContact N-O 3.48Å; A430-L568 HydrophobicContact CB-CD1 3.85Å; A430-L568 HydrophobicContact CB-CD2 4.2Å; L432-L568 HydrophobicContact CD1-CD1 4.25Å; F491-L568 HydrophobicContact CB-CD1 3.83Å; F491-L568 HydrophobicContact CD1-CD1 4.38Å; F491-L568 HydrophobicContact CD2-CD1 3.6Å; F491-L568 HydrophobicContact CE2-CD1 4.32Å; F491-L568 HydrophobicContact CG-CD1 3.67Å; V564-L568 HydrophobicContact CG1-CD1 3.84Å; V564-L568 HydrophobicContact CG1-CG 4.18Å; V564-L568 WeakPolarHBondContact O-CG 3.09Å; V564-L568 PolarHBondContact O-N 3.01Å; G565-L568 PolarHBondContact O-N 3.17Å
569	C	96.4	Very high	97.1	Very high	7 Å²	7	25 Å²	25	5%	0.047	12%	0.116	C	C	.	.			trans	-97.7	164.4	-171.3	-62.3	0	0	0	0	112.8	R422 G565 I578	R422-C569 PolarHBondContact NH1-O 3.48Å; G565-C569 VanDerWaalsContact O-CB 3.26Å; G565-C569 WeakPolarHBondContact O-CB 3.44Å; G565-C569 PolarHBondContact O-N 3Å; G565-C569 PolarHBondContact O-SG 2.79Å; G565-C569 VanDerWaalsContact O-SG 3.42Å; C569-I578 HydrophobicContact CB-CD1 3.7Å
570	E	93.9	Very high	97.2	Very high	80 Å²	80	25.1 Å²	25.1	37%	0.374	12%	0.116	S	C	.	.			trans	-108.4	-178.2	163.9	-65	-172.4	154.4	0	0	109.5	V424 M572	V424-E570 VanDerWaalsContact CG1-CD 3.46Å; V424-E570 HydrophobicContact CG1-CG 3.75Å; E570-M572 PolarHBondContact O-N 3.43Å
571	K	95.9	Very high	97.1	Very high	101 Å²	101	25.1 Å²	25.1	44%	0.439	12%	0.116	S	C	.	.	P	Polyproline II helix	trans	-51.5	123.7	170.1	174.3	176.6	165.4	145.4	0	110.9	E538 K573	E538-K571 HydrophobicContact CB-CG 4.26Å; E538-K571 CarbonylContact O-C 3.58Å; E538-K571 WeakPolarHBondContact O-CA 3.4Å; E538-K571 VanDerWaalsContact OE1-CE 3.27Å; E538-K571 WeakPolarHBondContact OE1-CE 3.32Å; E538-K571 IonicContact OE1-NZ 2.68Å; E538-K571 PolarHBondContact OE1-NZ 3.2Å; E538-K571 WeakPolarHBondContact OE2-CE 3.06Å; E538-K571 IonicContact OE2-NZ 2.84Å; E538-K571 PolarHBondContact OE2-NZ 2.86Å; K571-K573 PolarHBondContact O-N 3.11Å
572	M	97.1	Very high	97.1	Very high	5 Å²	5	25.1 Å²	25.1	3%	0.025	12%	0.117	C	C	.	.	P	Polyproline II helix	trans	-62.9	129.7	176.8	-70.1	-169.1	-79.1	0	0	111.1	A536 N537 E538 E570 I578 A626 D628	A536-M572 HydrophobicContact CB-CE 4.06Å; N537-M572 VanDerWaalsContact O-CE 3.28Å; N537-M572 WeakPolarHBondContact O-CE 3.32Å; E538-M572 PolarHBondContact O-N 2.83Å; E570-M572 PolarHBondContact O-N 3.43Å; M572-I578 HydrophobicContact CG-CD1 3.54Å; M572-I578 HydrophobicContact CG-CG1 4Å; M572-I578 HydrophobicContact SD-CB 4.34Å; M572-I578 HydrophobicContact SD-CD1 3.7Å; M572-I578 HydrophobicContact SD-CG1 3.79Å; M572-A626 HydrophobicContact CE-CB 4.33Å; M572-D628 HydrophobicContact CE-CB 4.14Å; M572-D628 WeakPolarHBondContact CE-OD1 3.49Å
573	K	95.6	Very high	97.1	Very high	115 Å²	115	25.4 Å²	25.4	50%	0.5	12%	0.119	S	C	.	.	P	Polyproline II helix	trans	-79.7	171.1	169.6	-59.3	169.1	-154.3	76.4	0	110.4	K571 L575 E576 K655	K571-K573 PolarHBondContact O-N 3.11Å; K573-L575 PolarHBondContact O-N 3.29Å; K573-L575 VanDerWaalsContact O-N 3.1Å; K573-E576 HydrophobicContact CB-CG 4.07Å; K573-E576 VanDerWaalsContact CB-OE2 3.24Å; K573-E576 WeakPolarHBondContact CB-OE2 3.34Å; K573-E576 WeakPolarHBondContact CD-OE2 3.38Å; K573-E576 WeakPolarHBondContact CG-OE2 3.21Å; K573-E576 PolarHBondContact N-OE2 2.98Å; K573-E576 IonicContact NZ-OE1 2.61Å; K573-E576 PolarHBondContact NZ-OE1 3.28Å; K573-E576 IonicContact NZ-OE2 2.66Å; K573-E576 PolarHBondContact NZ-OE2 2.84Å; K573-E576 PolarHBondContact O-N 2.89Å; K573-E576 VanDerWaalsContact O-N 3.15Å; K573-K655 PolarHBondContact O-NZ 3.45Å
574	Q	93.8	Very high	97	Very high	131 Å²	131	27.1 Å²	27.1	61%	0.612	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-27.5	-177.8	-64.7	179.8	-2.6	0	0	114.3	K655	Q574-K655 WeakPolarHBondContact O-CE 3.25Å
575	L	93.3	Very high	97	Very high	28 Å²	28	27.1 Å²	27.1	15%	0.147	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	27.1	-179.5	-52.6	-177.4	0	0	0	113.5	M496 K498 K573 K654 I658	M496-L575 PolarHBondContact N-O 2.95Å; M496-L575 VanDerWaalsContact N-O 3.11Å; M496-L575 WeakPolarHBondContact O-CB 3.43Å; K498-L575 HydrophobicContact CB-CD1 4.3Å; K498-L575 HydrophobicContact CG-CD1 3.58Å; K573-L575 PolarHBondContact O-N 3.29Å; K573-L575 VanDerWaalsContact O-N 3.1Å; L575-K654 HydrophobicContact CD2-CB 3.97Å; L575-K654 HydrophobicContact CD2-CD 3.6Å; L575-K654 HydrophobicContact CD2-CG 4.39Å; L575-I658 HydrophobicContact CB-CD1 3.84Å; L575-I658 HydrophobicContact CD2-CD1 3.8Å; L575-I658 HydrophobicContact CG-CD1 4.41Å
576	E	95.8	Very high	97	Very high	15 Å²	15	27.6 Å²	27.6	7%	0.07	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	147.6	177.4	-63.6	178.7	147.1	0	0	110.1	L493 T494 K495 K573 K655	L493-E576 HydrophobicContact CD1-CB 3.96Å; T494-E576 CarbonylContact O-C 3.59Å; T494-E576 VanDerWaalsContact O-CA 3.29Å; T494-E576 WeakPolarHBondContact O-CA 3.5Å; K495-E576 HydrophobicContact CD-CG 4.49Å; K495-E576 HydrophobicContact CG-CG 4.16Å; K495-E576 IonicContact NZ-OE1 2.66Å; K573-E576 HydrophobicContact CB-CG 4.07Å; K573-E576 VanDerWaalsContact CB-OE2 3.24Å; K573-E576 WeakPolarHBondContact CB-OE2 3.34Å; K573-E576 WeakPolarHBondContact CD-OE2 3.38Å; K573-E576 WeakPolarHBondContact CG-OE2 3.21Å; K573-E576 PolarHBondContact N-OE2 2.98Å; K573-E576 IonicContact NZ-OE1 2.61Å; K573-E576 PolarHBondContact NZ-OE1 3.28Å; K573-E576 IonicContact NZ-OE2 2.66Å; K573-E576 PolarHBondContact NZ-OE2 2.84Å; K573-E576 PolarHBondContact O-N 2.89Å; K573-E576 VanDerWaalsContact O-N 3.15Å; E576-K655 PolarHBondContact O-NZ 3.41Å
577	A	97.6	Very high	97	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	145.7	172.8	0	0	0	0	0	109.5	T494 I625 I627 I658	T494-A577 WeakPolarHBondContact CA-O 3.3Å; T494-A577 WeakPolarHBondContact CB-O 3.43Å; T494-A577 PolarHBondContact N-O 3.03Å; T494-A577 PolarHBondContact O-N 2.8Å; A577-I625 HydrophobicContact CB-CD1 4.24Å; A577-I627 HydrophobicContact CB-CG2 3.85Å; A577-I658 HydrophobicContact CB-CG2 4.12Å
578	I	98.6	Very high	97.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	116.7	-175.5	-60.6	159.2	0	0	0	110.1	L493 L540 C569 M572 I580 A626	L493-I578 HydrophobicContact CD1-CG1 3.69Å; L540-I578 HydrophobicContact CB-CD1 4.02Å; L540-I578 HydrophobicContact CD1-CD1 4.38Å; L540-I578 HydrophobicContact CD2-CD1 4Å; L540-I578 HydrophobicContact CD2-CG2 4.03Å; L540-I578 HydrophobicContact CG-CD1 4.37Å; C569-I578 HydrophobicContact CB-CD1 3.7Å; M572-I578 HydrophobicContact CG-CD1 3.54Å; M572-I578 HydrophobicContact CG-CG1 4Å; M572-I578 HydrophobicContact SD-CB 4.34Å; M572-I578 HydrophobicContact SD-CD1 3.7Å; M572-I578 HydrophobicContact SD-CG1 3.79Å; I578-I580 HydrophobicContact CG2-CG1 4.26Å; I578-A626 HydrophobicContact CB-CB 4.24Å; I578-A626 PolarHBondContact N-O 2.95Å; I578-A626 PolarHBondContact O-N 3.42Å
579	S	98.6	Very high	97.1	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	130.2	175.1	167.9	0	0	0	0	109.9	F491 R492 E623	F491-S579 CarbonylContact C-O 3.6Å; F491-S579 WeakPolarHBondContact CA-O 3.48Å; R492-S579 VanDerWaalsContact CZ-CB 3.43Å; R492-S579 PolarHBondContact N-O 2.7Å; R492-S579 VanDerWaalsContact NH1-CB 3.25Å; R492-S579 PolarHBondContact NH1-OG 2.84Å; R492-S579 VanDerWaalsContact NH2-CB 3.29Å; R492-S579 PolarHBondContact NH2-OG 3.37Å; R492-S579 VanDerWaalsContact NH2-OG 3.15Å; R492-S579 PolarHBondContact O-N 2.86Å; S579-E623 VanDerWaalsContact CB-OE1 3.29Å; S579-E623 WeakPolarHBondContact CB-OE1 3.35Å; S579-E623 PolarHBondContact OG-OE1 3.34Å
580	I	98.8	Very high	97.2	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.015	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	118	174.5	-50.4	-178.6	0	0	0	107.9	V489 S490 F491 L540 F556 M562 I578 A583 E623 T624	V489-I580 HydrophobicContact CG1-CG2 3.81Å; S490-I580 CarbonylContact O-C 3.5Å; S490-I580 WeakPolarHBondContact O-CA 3.34Å; F491-I580 HydrophobicContact CD1-CB 4.46Å; F491-I580 HydrophobicContact CD1-CD1 4.03Å; F491-I580 HydrophobicContact CD1-CG1 3.9Å; F491-I580 HydrophobicContact CD1-CG2 3.92Å; F491-I580 HydrophobicContact CE1-CD1 4.06Å; F491-I580 HydrophobicContact CE1-CG1 4.28Å; F491-I580 HydrophobicContact CE1-CG2 3.72Å; F491-I580 HydrophobicContact CZ-CG2 4.37Å; L540-I580 HydrophobicContact CD2-CD1 4.33Å; F556-I580 HydrophobicContact CZ-CD1 4.41Å; M562-I580 HydrophobicContact CB-CD1 4.09Å; M562-I580 HydrophobicContact CE-CD1 3.92Å; M562-I580 HydrophobicContact CG-CD1 4.12Å; M562-I580 HydrophobicContact CG-CG2 4.3Å; I578-I580 HydrophobicContact CG2-CG1 4.26Å; I580-A583 HydrophobicContact CG2-CB 4.22Å; I580-E623 CarbonylContact O-C 3.53Å; I580-E623 WeakPolarHBondContact O-CA 3.39Å; I580-T624 PolarHBondContact N-O 3.22Å; I580-T624 PolarHBondContact O-N 3.09Å
581	V	98.6	Very high	97.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	127.1	-176.6	173	0	0	0	0	110.1	L282 V489 S490 R619 V622 E623	L282-V581 HydrophobicContact CB-CG1 3.9Å; L282-V581 HydrophobicContact CB-CG2 4.12Å; L282-V581 HydrophobicContact CD1-CG1 3.66Å; L282-V581 HydrophobicContact CD1-CG2 4.23Å; L282-V581 HydrophobicContact CG-CG1 4.43Å; V489-V581 CarbonylContact C-O 3.47Å; V489-V581 WeakPolarHBondContact CA-O 3.43Å; S490-V581 PolarHBondContact N-O 2.69Å; S490-V581 PolarHBondContact O-N 3.26Å; V581-R619 HydrophobicContact CG1-CB 4.24Å; V581-V622 WeakPolarHBondContact CA-O 3.33Å; V581-E623 HydrophobicContact CG2-CB 4.02Å; V581-E623 HydrophobicContact CG2-CG 4.31Å
582	G	97.7	Very high	97.3	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.01	15%	0.148	C	C	.	.	S	Bend	trans	93.3	4.1	171.9	0	0	0	0	0	117.1	H434 L620 V622	H434-G582 PolarHBondContact CE1-O 2.83Å; G582-L620 WeakPolarHBondContact CA-O 3.33Å; G582-L620 PolarHBondContact N-O 3.39Å; G582-V622 PolarHBondContact N-O 3.39Å
583	A	97.9	Very high	97.2	Very high	5 Å²	5	30 Å²	30	4%	0.041	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-61.9	133.4	177.3	0	0	0	0	0	111.5	V489 C559 M562 I580	V489-A583 HydrophobicContact CG1-CB 4.15Å; C559-A583 HydrophobicContact CB-CB 4.39Å; M562-A583 HydrophobicContact CG-CB 3.87Å; I580-A583 HydrophobicContact CG2-CB 4.22Å
584	Y	97.9	Very high	97.1	Very high	36 Å²	36	32.7 Å²	32.7	14%	0.141	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-91.1	148	-173.2	-165.3	-85.9	0	0	0	111.8	P485 C559 E561 F586 N609 L620	P485-Y584 HydrophobicContact CB-CD2 3.75Å; P485-Y584 HydrophobicContact CB-CE2 3.74Å; P485-Y584 HydrophobicContact CB-CG 4.21Å; P485-Y584 HydrophobicContact CG-CD1 4.09Å; P485-Y584 HydrophobicContact CG-CD2 3.95Å; P485-Y584 HydrophobicContact CG-CE1 4.38Å; P485-Y584 HydrophobicContact CG-CE2 4.25Å; P485-Y584 HydrophobicContact CG-CG 3.88Å; C559-Y584 WeakPolarHBondContact CA-O 3.41Å; C559-Y584 WeakPolarHBondContact CB-O 3.29Å; E561-Y584 PolarHBondContact OE2-N 2.62Å; Y584-F586 HydrophobicContact CD1-CD1 4.14Å; Y584-F586 HydrophobicContact CD1-CD2 4.22Å; Y584-F586 AromaticContact CD1-CE1 3.79Å; Y584-F586 HydrophobicContact CD1-CE1 3.79Å; Y584-F586 AromaticContact CD1-CE2 3.86Å; Y584-F586 HydrophobicContact CD1-CE2 3.86Å; Y584-F586 HydrophobicContact CD1-CG 4.35Å; Y584-F586 AromaticContact CD1-CZ 3.64Å; Y584-F586 HydrophobicContact CD1-CZ 3.64Å; Y584-F586 HydrophobicContact CE1-CE1 4.37Å; Y584-F586 HydrophobicContact CG-CE2 4.24Å; Y584-F586 HydrophobicContact CG-CZ 4.09Å; Y584-F586 WeakPolarHBondContact O-CD2 3.5Å; Y584-F586 WeakPolarHBondContact O-CE2 3.37Å; Y584-N609 HydrophobicContact CD2-CB 4.13Å; Y584-N609 HydrophobicContact CE1-CB 4.28Å; Y584-N609 WeakPolarHBondContact CE1-ND2 3.21Å; Y584-N609 HydrophobicContact CE2-CB 3.52Å; Y584-N609 VanDerWaalsContact CZ-CG 3.5Å; Y584-L620 HydrophobicContact CD2-CD1 3.94Å
585	V	98.3	Very high	97.3	Very high	1 Å²	1	30 Å²	30	1%	0.006	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-92	127.3	177.6	-167.8	0	0	0	0	110.6	M558 L601 H605 Q608 N609	M558-V585 HydrophobicContact CB-CG1 4.33Å; M558-V585 HydrophobicContact CE-CG1 4.07Å; V585-L601 HydrophobicContact CB-CD1 4.22Å; V585-L601 HydrophobicContact CG1-CD1 3.63Å; V585-L601 WeakPolarHBondContact O-CD2 3.38Å; V585-H605 HydrophobicContact CG1-CB 4.3Å; V585-Q608 HydrophobicContact CG2-CG 3.73Å; V585-N609 PolarHBondContact N-OD1 3.15Å; V585-N609 PolarHBondContact O-ND2 3.03Å
586	F	98.5	Very high	97.5	Very high	9 Å²	9	28.8 Å²	28.8	4%	0.039	15%	0.154	C	C	.	.			trans	-114.5	-11.5	-175.5	-65.1	-89.7	0	0	0	114.3	Y476 K479 M480 P485 M558 E561 Y584	Y476-F586 HydrophobicContact CD2-CB 4.39Å; Y476-F586 AromaticContact CD2-CD1 3.7Å; Y476-F586 HydrophobicContact CD2-CD1 3.7Å; Y476-F586 AromaticContact CD2-CD2 3.54Å; Y476-F586 HydrophobicContact CD2-CD2 3.54Å; Y476-F586 AromaticContact CD2-CE1 3.73Å; Y476-F586 HydrophobicContact CD2-CE1 3.73Å; Y476-F586 AromaticContact CD2-CE2 3.58Å; Y476-F586 HydrophobicContact CD2-CE2 3.58Å; Y476-F586 AromaticContact CD2-CG 3.6Å; Y476-F586 HydrophobicContact CD2-CG 3.6Å; Y476-F586 AromaticContact CD2-CZ 3.67Å; Y476-F586 HydrophobicContact CD2-CZ 3.67Å; Y476-F586 HydrophobicContact CE2-CD1 4.4Å; Y476-F586 AromaticContact CE2-CD2 3.99Å; Y476-F586 HydrophobicContact CE2-CD2 3.99Å; Y476-F586 AromaticContact CE2-CE1 3.98Å; Y476-F586 HydrophobicContact CE2-CE1 3.98Å; Y476-F586 AromaticContact CE2-CE2 3.53Å; Y476-F586 HydrophobicContact CE2-CE2 3.53Å; Y476-F586 HydrophobicContact CE2-CG 4.4Å; Y476-F586 AromaticContact CE2-CZ 3.53Å; Y476-F586 HydrophobicContact CE2-CZ 3.53Å; K479-F586 HydrophobicContact CB-CD1 3.91Å; K479-F586 HydrophobicContact CB-CE1 4.27Å; K479-F586 HydrophobicContact CG-CD1 3.77Å; K479-F586 HydrophobicContact CG-CE1 3.86Å; M480-F586 HydrophobicContact CG-CE1 4.16Å; M480-F586 HydrophobicContact CG-CZ 4.46Å; M480-F586 HydrophobicContact SD-CE1 3.68Å; M480-F586 HydrophobicContact SD-CZ 3.74Å; P485-F586 HydrophobicContact CG-CE1 4.32Å; P485-F586 HydrophobicContact CG-CZ 4.11Å; M558-F586 PolarHBondContact O-N 3.1Å; E561-F586 HydrophobicContact CG-CE2 3.91Å; E561-F586 HydrophobicContact CG-CZ 4.41Å; Y584-F586 HydrophobicContact CD1-CD1 4.14Å; Y584-F586 HydrophobicContact CD1-CD2 4.22Å; Y584-F586 AromaticContact CD1-CE1 3.79Å; Y584-F586 HydrophobicContact CD1-CE1 3.79Å; Y584-F586 AromaticContact CD1-CE2 3.86Å; Y584-F586 HydrophobicContact CD1-CE2 3.86Å; Y584-F586 HydrophobicContact CD1-CG 4.35Å; Y584-F586 AromaticContact CD1-CZ 3.64Å; Y584-F586 HydrophobicContact CD1-CZ 3.64Å; Y584-F586 HydrophobicContact CE1-CE1 4.37Å; Y584-F586 HydrophobicContact CG-CE2 4.24Å; Y584-F586 HydrophobicContact CG-CZ 4.09Å; Y584-F586 WeakPolarHBondContact O-CD2 3.5Å; Y584-F586 WeakPolarHBondContact O-CE2 3.37Å
587	S	98.6	Very high	97.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.169	C	C	.	.			trans	-157.6	159.4	-178.7	-65.9	0	0	0	0	111.4	T475 W598	T475-S587 WeakPolarHBondContact CG2-OG 3.42Å; S587-W598 PolarHBondContact OG-NE1 3.32Å
588	S	98.6	Very high	97.7	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.007	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-179.4	165	-54.4	0	0	0	0	110.4	F472 A599 E600 L601 Q602 H605	F472-S588 VanDerWaalsContact CE1-O 3.23Å; F472-S588 WeakPolarHBondContact CE1-O 3.15Å; S588-A599 CarbonylContact C-O 3.57Å; S588-A599 WeakPolarHBondContact CA-O 3.21Å; S588-A599 PolarHBondContact N-O 2.7Å; S588-A599 PolarHBondContact O-N 2.71Å; S588-A599 VanDerWaalsContact O-O 3.08Å; S588-E600 WeakPolarHBondContact CB-O 3.15Å; S588-E600 PolarHBondContact OG-O 2.99Å; S588-L601 WeakPolarHBondContact OG-CA 3.43Å; S588-Q602 WeakPolarHBondContact OG-CB 3.14Å; S588-Q602 WeakPolarHBondContact OG-CG 3.39Å; S588-Q602 PolarHBondContact OG-N 2.92Å; S588-H605 VanDerWaalsContact CB-ND1 3.31Å; S588-H605 WeakPolarHBondContact CB-ND1 3.36Å; S588-H605 PolarHBondContact OG-ND1 3.04Å
589	Y	98.3	Very high	97.7	Very high	30 Å²	30	36.8 Å²	36.8	12%	0.118	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	168.6	169.6	73.6	-81.2	0	0	0	111.3	E525 I554 M558 G591 L596 K597	E525-Y589 VanDerWaalsContact OE1-CE1 3.3Å; E525-Y589 WeakPolarHBondContact OE1-CE1 3.47Å; E525-Y589 PolarHBondContact OE1-OH 2.99Å; I554-Y589 HydrophobicContact CD1-CD2 4.42Å; I554-Y589 HydrophobicContact CD1-CE2 4.07Å; I554-Y589 HydrophobicContact CG2-CD1 3.59Å; I554-Y589 HydrophobicContact CG2-CD2 4.09Å; I554-Y589 HydrophobicContact CG2-CE1 3.45Å; I554-Y589 VanDerWaalsContact CG2-CE1 3.45Å; I554-Y589 HydrophobicContact CG2-CE2 3.96Å; I554-Y589 HydrophobicContact CG2-CG 3.9Å; M558-Y589 HydrophobicContact CE-CD1 4.22Å; M558-Y589 HydrophobicContact CE-CE1 4.39Å; M558-Y589 HydrophobicContact CG-CD1 4.22Å; M558-Y589 HydrophobicContact SD-CD1 3.57Å; M558-Y589 VanDerWaalsContact SD-CD1 3.57Å; M558-Y589 HydrophobicContact SD-CE1 3.64Å; Y589-G591 VanDerWaalsContact CD2-O 3.29Å; Y589-G591 WeakPolarHBondContact CD2-O 3.37Å; Y589-G591 VanDerWaalsContact CE2-O 3.29Å; Y589-G591 WeakPolarHBondContact CE2-O 3.36Å; Y589-L596 HydrophobicContact CD2-CD1 3.5Å; Y589-L596 HydrophobicContact CE2-CD1 4.44Å; Y589-L596 HydrophobicContact CG-CD1 3.87Å; Y589-K597 WeakPolarHBondContact CA-O 3.27Å; Y589-K597 WeakPolarHBondContact CB-O 3.48Å
590	T	97.6	Very high	97.6	Very high	86 Å²	86	43.7 Å²	43.7	53%	0.528	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	161.5	159.7	60.4	0	0	0	0	109.3	L596 K597	T590-L596 CarbonylContact O-C 3.59Å; T590-L596 WeakPolarHBondContact O-CA 3.45Å; T590-K597 PolarHBondContact N-O 2.83Å; T590-K597 VanDerWaalsContact N-O 3.08Å; T590-K597 PolarHBondContact O-N 2.98Å
591	G	96.4	Very high	97.5	Very high	38 Å²	38	46.3 Å²	46.3	39%	0.392	24%	0.236	S	C	.	.	S	Bend	trans	70.3	-178.5	-175.4	0	0	0	0	0	113.8	Y589 T595	Y589-G591 VanDerWaalsContact CD2-O 3.29Å; Y589-G591 WeakPolarHBondContact CD2-O 3.37Å; Y589-G591 VanDerWaalsContact CE2-O 3.29Å; Y589-G591 WeakPolarHBondContact CE2-O 3.36Å; G591-T595 WeakPolarHBondContact CA-OG1 3.4Å
592	Y	95.6	Very high	97.3	Very high	119 Å²	119	50.5 Å²	50.5	47%	0.467	26%	0.256	S	S	.	.			trans	-155.2	146.1	-175.4	-170.8	-99	0	0	0	110.5	V550 Q551 I554 H594 T595	V550-Y592 HydrophobicContact CB-CE1 4.15Å; V550-Y592 HydrophobicContact CB-CE2 4.46Å; V550-Y592 WeakPolarHBondContact CB-OH 3.28Å; V550-Y592 HydrophobicContact CG1-CE1 3.82Å; Q551-Y592 HydrophobicContact CB-CE2 4.39Å; Q551-Y592 PolarHBondContact N-OH 3.49Å; I554-Y592 HydrophobicContact CD1-CD2 3.43Å; I554-Y592 VanDerWaalsContact CD1-CD2 3.43Å; I554-Y592 HydrophobicContact CD1-CE2 3.8Å; I554-Y592 HydrophobicContact CD1-CG 4.33Å; Y592-H594 PolarHBondContact O-N 2.83Å; Y592-T595 PolarHBondContact N-OG1 3.42Å; Y592-T595 PolarHBondContact O-N 3.32Å; Y592-T595 PolarHBondContact O-OG1 3.11Å
593	G	95.1	Very high	97	Very high	13 Å²	13	54.9 Å²	54.9	13%	0.134	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	59.9	-121.8	-176.3	0	0	0	0	0	111.2	S549 T595 L596	S549-G593 WeakPolarHBondContact CB-O 3.41Å; S549-G593 WeakPolarHBondContact O-CA 3.46Å; S549-G593 PolarHBondContact O-N 3.14Å; S549-G593 WeakPolarHBondContact OG-CA 3.33Å; S549-G593 PolarHBondContact OG-O 2.96Å; G593-T595 VanDerWaalsContact C-N 3.26Å; G593-T595 PolarHBondContact O-N 2.78Å; G593-L596 WeakPolarHBondContact O-CB 3.39Å; G593-L596 PolarHBondContact O-N 3.21Å
594	H	94.1	Very high	96.4	Very high	170 Å²	170	56.7 Å²	56.7	79%	0.787	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-71.8	-16.5	-178.4	74.1	-91.2	0	0	0	114.1	Y592	Y592-H594 PolarHBondContact O-N 2.83Å
595	T	96.9	Very high	96.1	Very high	74 Å²	74	55.5 Å²	55.5	45%	0.454	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-93.2	-2	177	64.7	0	0	0	0	113.6	G591 Y592 G593 K597	G591-T595 WeakPolarHBondContact CA-OG1 3.4Å; Y592-T595 PolarHBondContact N-OG1 3.42Å; Y592-T595 PolarHBondContact O-N 3.32Å; Y592-T595 PolarHBondContact O-OG1 3.11Å; G593-T595 VanDerWaalsContact C-N 3.26Å; G593-T595 PolarHBondContact O-N 2.78Å; T595-K597 PolarHBondContact O-N 3.3Å
596	L	98.3	Very high	95.9	Very high	3 Å²	3	57 Å²	57	2%	0.016	30%	0.299	C	S	.	.			trans	-55.9	125.9	-179.1	176	67.3	0	0	0	111.7	I465 F472 I554 L557 Y589 T590 G593	I465-L596 HydrophobicContact CD1-CB 3.71Å; I465-L596 HydrophobicContact CD1-CD2 3.96Å; I465-L596 HydrophobicContact CD1-CG 4.16Å; F472-L596 HydrophobicContact CZ-CD1 4.43Å; I554-L596 HydrophobicContact CD1-CD1 3.98Å; I554-L596 HydrophobicContact CD1-CD2 4.4Å; I554-L596 HydrophobicContact CG1-CD1 3.86Å; I554-L596 HydrophobicContact CG1-CD2 3.7Å; I554-L596 HydrophobicContact CG1-CG 4.39Å; L557-L596 HydrophobicContact CD1-CD2 4.09Å; Y589-L596 HydrophobicContact CD2-CD1 3.5Å; Y589-L596 HydrophobicContact CE2-CD1 4.44Å; Y589-L596 HydrophobicContact CG-CD1 3.87Å; T590-L596 CarbonylContact O-C 3.59Å; T590-L596 WeakPolarHBondContact O-CA 3.45Å; G593-L596 WeakPolarHBondContact O-CB 3.39Å; G593-L596 PolarHBondContact O-N 3.21Å
597	K	98.4	Very high	95.4	Very high	92 Å²	92	59.7 Å²	59.7	40%	0.4	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	143.7	173.5	-69.9	-54.3	-165.8	-178.5	0	111.1	E468 Y589 T590 T595	E468-K597 HydrophobicContact CG-CD 3.82Å; E468-K597 WeakPolarHBondContact OE1-CD 3.34Å; E468-K597 IonicContact OE1-NZ 3.93Å; E468-K597 PolarHBondContact OE1-NZ 3.34Å; Y589-K597 WeakPolarHBondContact CA-O 3.27Å; Y589-K597 WeakPolarHBondContact CB-O 3.48Å; T590-K597 PolarHBondContact N-O 2.83Å; T590-K597 VanDerWaalsContact N-O 3.08Å; T590-K597 PolarHBondContact O-N 2.98Å; T595-K597 PolarHBondContact O-N 3.3Å
598	W	98.6	Very high	95	Very high	70 Å²	70	59.8 Å²	59.8	27%	0.265	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	142.4	167.1	173.1	82.3	0	0	0	110.7	E468 K471 F472 T475 S587	E468-W598 PolarHBondContact OE2-N 3.23Å; K471-W598 HydrophobicContact CB-CB 3.54Å; K471-W598 HydrophobicContact CB-CD2 3.79Å; K471-W598 HydrophobicContact CB-CE3 4.19Å; K471-W598 HydrophobicContact CB-CG 3.49Å; K471-W598 VanDerWaalsContact CB-CG 3.49Å; K471-W598 HydrophobicContact CD-CB 4.25Å; F472-W598 AromaticContact CD1-CD1 3.69Å; F472-W598 HydrophobicContact CD2-CB 3.94Å; F472-W598 AromaticContact CD2-CD1 3.9Å; F472-W598 HydrophobicContact CD2-CG 4.33Å; F472-W598 AromaticContact CE1-CD1 3.99Å; F472-W598 HydrophobicContact CE2-CB 3.7Å; F472-W598 HydrophobicContact CE2-CG 4.39Å; F472-W598 AromaticContact CG-CD1 3.62Å; F472-W598 HydrophobicContact CG-CG 4.46Å; F472-W598 HydrophobicContact CZ-CB 4.12Å; T475-W598 HydrophobicContact CG2-CZ2 4.03Å; T475-W598 VanDerWaalsContact OG1-CZ2 3.32Å; T475-W598 WeakPolarHBondContact OG1-CZ2 3.37Å; T475-W598 PolarHBondContact OG1-NE1 2.91Å; S587-W598 PolarHBondContact OG-NE1 3.32Å
599	A	98.4	Very high	94.9	Very high	22 Å²	22	60.3 Å²	60.3	18%	0.182	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	154.6	172.3	0	0	0	0	0	111.7	S588	S588-A599 CarbonylContact C-O 3.57Å; S588-A599 WeakPolarHBondContact CA-O 3.21Å; S588-A599 PolarHBondContact N-O 2.7Å; S588-A599 PolarHBondContact O-N 2.71Å; S588-A599 VanDerWaalsContact O-O 3.08Å
600	E	97.4	Very high	94.5	Very high	145 Å²	145	61.2 Å²	61.2	68%	0.678	32%	0.321	S	S	*	.			trans	-60.3	147.7	176.1	-175	166.5	-158.2	0	0	111.7	S588 Q602	S588-E600 WeakPolarHBondContact CB-O 3.15Å; S588-E600 PolarHBondContact OG-O 2.99Å; E600-Q602 WeakPolarHBondContact O-CG 3.2Å; E600-Q602 PolarHBondContact O-N 3.38Å; E600-Q602 VanDerWaalsContact O-N 3.12Å; E600-Q602 PolarHBondContact O-NE2 2.85Å
601	L	97.2	Very high	94.2	Very high	57 Å²	57	62.2 Å²	62.2	30%	0.298	32%	0.323	S	S	.	.			trans	-62.4	113.7	-173.7	-179.1	59.2	0	0	0	111.7	V585 S588 H605	V585-L601 HydrophobicContact CB-CD1 4.22Å; V585-L601 HydrophobicContact CG1-CD1 3.63Å; V585-L601 WeakPolarHBondContact O-CD2 3.38Å; S588-L601 WeakPolarHBondContact OG-CA 3.43Å; L601-H605 HydrophobicContact CD1-CB 4.24Å
602	Q	94.4	Very high	93.9	Very high	88 Å²	88	66.8 Å²	66.8	41%	0.411	34%	0.335	S	S	.	.			trans	-92.1	155.6	-174.2	-67	-51.1	-63	0	0	111.5	S588 E600 N604 H605 S606	S588-Q602 WeakPolarHBondContact OG-CB 3.14Å; S588-Q602 WeakPolarHBondContact OG-CG 3.39Å; S588-Q602 PolarHBondContact OG-N 2.92Å; E600-Q602 WeakPolarHBondContact O-CG 3.2Å; E600-Q602 PolarHBondContact O-N 3.38Å; E600-Q602 VanDerWaalsContact O-N 3.12Å; E600-Q602 PolarHBondContact O-NE2 2.85Å; Q602-N604 WeakPolarHBondContact CB-OD1 3.47Å; Q602-N604 PolarHBondContact O-N 2.87Å; Q602-N604 VanDerWaalsContact O-N 3.09Å; Q602-H605 PolarHBondContact O-N 3.33Å; Q602-S606 WeakPolarHBondContact O-CB 3.31Å; Q602-S606 PolarHBondContact O-N 2.85Å; Q602-S606 PolarHBondContact O-OG 3.19Å
603	P	90.3	Very high	93.8	Very high	94 Å²	94	62.2 Å²	62.2	61%	0.61	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-23.8	179.1	-28	36.5	0	0	0	115.1	S606 R607	P603-S606 WeakPolarHBondContact CA-OG 3.28Å; P603-R607 VanDerWaalsContact O-CG 3.24Å; P603-R607 WeakPolarHBondContact O-CG 3.41Å
604	N	86.6	Confident	93.7	Very high	42 Å²	42	63.3 Å²	63.3	23%	0.225	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-42.8	-179.7	74.4	-61.1	0	0	0	112.8	D526 Q602 R607	D526-N604 WeakPolarHBondContact OD1-CB 3.33Å; D526-N604 PolarHBondContact OD1-ND2 3.09Å; Q602-N604 WeakPolarHBondContact CB-OD1 3.47Å; Q602-N604 PolarHBondContact O-N 2.87Å; Q602-N604 VanDerWaalsContact O-N 3.09Å; N604-R607 VanDerWaalsContact CA-CZ 3.48Å; N604-R607 VanDerWaalsContact CB-NH2 3.34Å; N604-R607 VanDerWaalsContact O-CG 3.31Å; N604-R607 WeakPolarHBondContact O-CG 3.15Å; N604-R607 PolarHBondContact O-NH1 3.45Å; N604-R607 VanDerWaalsContact O-NH1 3.08Å
605	H	91.7	Very high	93.8	Very high	12 Å²	12	56 Å²	56	6%	0.056	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-31	176.5	-56.8	134.3	0	0	0	112.3	M558 V585 S588 L601 Q602 R607	M558-H605 HydrophobicContact CE-CB 3.77Å; V585-H605 HydrophobicContact CG1-CB 4.3Å; S588-H605 VanDerWaalsContact CB-ND1 3.31Å; S588-H605 WeakPolarHBondContact CB-ND1 3.36Å; S588-H605 PolarHBondContact OG-ND1 3.04Å; L601-H605 HydrophobicContact CD1-CB 4.24Å; Q602-H605 PolarHBondContact O-N 3.33Å; H605-R607 VanDerWaalsContact C-N 3.31Å; H605-R607 PolarHBondContact O-N 3.39Å
606	S	92.3	Very high	93.6	Very high	32 Å²	32	58.3 Å²	58.3	22%	0.224	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-78.4	-6	-179.7	55.1	0	0	0	0	114.8	Q602 P603 Q608 N609	Q602-S606 WeakPolarHBondContact O-CB 3.31Å; Q602-S606 PolarHBondContact O-N 2.85Å; Q602-S606 PolarHBondContact O-OG 3.19Å; P603-S606 WeakPolarHBondContact CA-OG 3.28Å; S606-Q608 PolarHBondContact O-N 2.94Å; S606-Q608 VanDerWaalsContact O-N 3.07Å; S606-N609 VanDerWaalsContact O-CB 3.28Å; S606-N609 WeakPolarHBondContact O-CB 3.07Å; S606-N609 PolarHBondContact O-N 3.45Å
607	R	88.5	Confident	93.4	Very high	66 Å²	66	58.2 Å²	58.2	25%	0.249	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-49.7	-38.4	179.6	-65.1	-176.6	-165.4	109.3	-0.1	113.5	D526 P603 N604 H605 N609 T610 F613	D526-R607 PolarHBondContact O-NH1 2.79Å; D526-R607 IonicContact OD1-CZ 3.35Å; D526-R607 IonicContact OD1-NH1 2.69Å; D526-R607 PolarHBondContact OD1-NH1 2.8Å; D526-R607 IonicContact OD1-NH2 2.61Å; P603-R607 VanDerWaalsContact O-CG 3.24Å; P603-R607 WeakPolarHBondContact O-CG 3.41Å; N604-R607 VanDerWaalsContact CA-CZ 3.48Å; N604-R607 VanDerWaalsContact CB-NH2 3.34Å; N604-R607 VanDerWaalsContact O-CG 3.31Å; N604-R607 WeakPolarHBondContact O-CG 3.15Å; N604-R607 PolarHBondContact O-NH1 3.45Å; N604-R607 VanDerWaalsContact O-NH1 3.08Å; H605-R607 VanDerWaalsContact C-N 3.31Å; H605-R607 PolarHBondContact O-N 3.39Å; R607-N609 VanDerWaalsContact C-N 3.33Å; R607-N609 PolarHBondContact O-N 3.11Å; R607-T610 WeakPolarHBondContact O-CB 3.33Å; R607-T610 PolarHBondContact O-OG1 3.36Å; R607-F613 WeakPolarHBondContact O-CD2 3.19Å; R607-F613 VanDerWaalsContact O-CE2 3.31Å; R607-F613 WeakPolarHBondContact O-CE2 3.21Å
608	Q	91.1	Very high	93.3	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.009	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-73.8	-18.8	-180	62.3	167.8	-19.5	0	0	114.6	A528 R555 V585 S606 T610 L620 V622	A528-Q608 HydrophobicContact CB-CB 3.95Å; R555-Q608 VanDerWaalsContact NH1-NE2 3.16Å; R555-Q608 VanDerWaalsContact NH2-NE2 3.19Å; V585-Q608 HydrophobicContact CG2-CG 3.73Å; S606-Q608 PolarHBondContact O-N 2.94Å; S606-Q608 VanDerWaalsContact O-N 3.07Å; Q608-T610 PolarHBondContact O-N 3.21Å; Q608-L620 WeakPolarHBondContact O-CD1 3.24Å; Q608-L620 WeakPolarHBondContact O-CD2 3.33Å; Q608-V622 HydrophobicContact CB-CG2 3.78Å; Q608-V622 VanDerWaalsContact OE1-CB 3.23Å; Q608-V622 VanDerWaalsContact OE1-CG1 3.29Å
609	N	95.1	Very high	93.2	Very high	12 Å²	12	51.3 Å²	51.3	6%	0.064	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-73.2	-13.3	-177.7	-69.5	-8.3	0	0	0	114.1	Y584 V585 S606 R607 N611	Y584-N609 HydrophobicContact CD2-CB 4.13Å; Y584-N609 HydrophobicContact CE1-CB 4.28Å; Y584-N609 WeakPolarHBondContact CE1-ND2 3.21Å; Y584-N609 HydrophobicContact CE2-CB 3.52Å; Y584-N609 VanDerWaalsContact CZ-CG 3.5Å; V585-N609 PolarHBondContact N-OD1 3.15Å; V585-N609 PolarHBondContact O-ND2 3.03Å; S606-N609 VanDerWaalsContact O-CB 3.28Å; S606-N609 WeakPolarHBondContact O-CB 3.07Å; S606-N609 PolarHBondContact O-N 3.45Å; R607-N609 VanDerWaalsContact C-N 3.33Å; R607-N609 PolarHBondContact O-N 3.11Å; N609-N611 PolarHBondContact O-N 3.37Å
610	T	91.2	Very high	93.1	Very high	49 Å²	49	50.3 Å²	50.3	30%	0.301	25%	0.252	S	S	.	.			trans	-47.8	124.5	178.6	-57.1	0	0	0	0	112	R607 Q608 E612 F613	R607-T610 WeakPolarHBondContact O-CB 3.33Å; R607-T610 PolarHBondContact O-OG1 3.36Å; Q608-T610 PolarHBondContact O-N 3.21Å; T610-E612 VanDerWaalsContact C-N 3.27Å; T610-E612 HydrophobicContact CG2-CB 4.01Å; T610-E612 WeakPolarHBondContact CG2-OE2 3.36Å; T610-E612 PolarHBondContact O-N 3.42Å; T610-F613 HydrophobicContact CG2-CD1 4.35Å; T610-F613 HydrophobicContact CG2-CD2 4.13Å; T610-F613 HydrophobicContact CG2-CE1 4.41Å; T610-F613 HydrophobicContact CG2-CE2 4.21Å; T610-F613 HydrophobicContact CG2-CG 4.19Å; T610-F613 HydrophobicContact CG2-CZ 4.34Å; T610-F613 WeakPolarHBondContact O-CB 3.39Å; T610-F613 PolarHBondContact O-N 3.21Å
611	N	90.6	Very high	93.1	Very high	107 Å²	107	44.9 Å²	44.9	57%	0.572	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-67.3	-30	-173.9	-81.3	-35.3	0	0	0	112.6	N609 F613 R614	N609-N611 PolarHBondContact O-N 3.37Å; N611-F613 PolarHBondContact O-N 3.26Å; N611-R614 WeakPolarHBondContact O-CB 3.4Å; N611-R614 PolarHBondContact O-N 2.93Å; N611-R614 PolarHBondContact OD1-NE 2.95Å
612	E	90.3	Very high	93	Very high	134 Å²	134	42.4 Å²	42.4	63%	0.626	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-60.4	-23.3	172.5	-62	65.8	-154.2	0	0	111.3	T610 R621	T610-E612 VanDerWaalsContact C-N 3.27Å; T610-E612 HydrophobicContact CG2-CB 4.01Å; T610-E612 WeakPolarHBondContact CG2-OE2 3.36Å; T610-E612 PolarHBondContact O-N 3.42Å; E612-R621 PolarHBondContact O-NH2 2.94Å
613	F	93.3	Very high	93.2	Very high	22 Å²	22	38.2 Å²	38.2	10%	0.096	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-86.4	1.8	174	-60.5	-17	0	0	0	113.5	L268 V272 A528 L529 R607 T610 N611 R621	L268-F613 HydrophobicContact CD1-CE2 4.08Å; L268-F613 HydrophobicContact CD1-CZ 3.89Å; L268-F613 HydrophobicContact CD2-CE2 4.35Å; L268-F613 HydrophobicContact CD2-CZ 4.07Å; L268-F613 HydrophobicContact CG-CZ 4.23Å; V272-F613 HydrophobicContact CG2-CE1 3.85Å; V272-F613 HydrophobicContact CG2-CZ 4.49Å; A528-F613 HydrophobicContact CB-CD2 4.16Å; A528-F613 HydrophobicContact CB-CE2 4.08Å; L529-F613 HydrophobicContact CD1-CD1 3.97Å; L529-F613 HydrophobicContact CD1-CE1 3.97Å; L529-F613 HydrophobicContact CD1-CG 4.47Å; L529-F613 HydrophobicContact CD1-CZ 4.44Å; L529-F613 HydrophobicContact CD2-CB 3.93Å; L529-F613 HydrophobicContact CD2-CD1 4.09Å; L529-F613 HydrophobicContact CD2-CD2 4.49Å; L529-F613 HydrophobicContact CD2-CG 3.92Å; L529-F613 HydrophobicContact CG-CD1 4.24Å; L529-F613 HydrophobicContact CG-CD2 4.46Å; L529-F613 HydrophobicContact CG-CG 4.23Å; R607-F613 WeakPolarHBondContact O-CD2 3.19Å; R607-F613 VanDerWaalsContact O-CE2 3.31Å; R607-F613 WeakPolarHBondContact O-CE2 3.21Å; T610-F613 HydrophobicContact CG2-CD1 4.35Å; T610-F613 HydrophobicContact CG2-CD2 4.13Å; T610-F613 HydrophobicContact CG2-CE1 4.41Å; T610-F613 HydrophobicContact CG2-CE2 4.21Å; T610-F613 HydrophobicContact CG2-CG 4.19Å; T610-F613 HydrophobicContact CG2-CZ 4.34Å; T610-F613 WeakPolarHBondContact O-CB 3.39Å; T610-F613 PolarHBondContact O-N 3.21Å; N611-F613 PolarHBondContact O-N 3.26Å; F613-R621 WeakPolarHBondContact O-CB 3.1Å; F613-R621 WeakPolarHBondContact O-CG 3.34Å; F613-R621 PolarHBondContact O-N 3.36Å; F613-R621 PolarHBondContact O-NE 3.14Å
614	R	94.1	Very high	93.6	Very high	36 Å²	36	34 Å²	34	14%	0.136	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-70.2	151.1	172.5	-67.8	-179.9	-171.4	-85.3	1.5	112.5	H434 D486 N611 G618 R619 L620 R621	H434-R614 PolarHBondContact NE2-NH1 2.81Å; H434-R614 VanDerWaalsContact NE2-NH1 3.14Å; D486-R614 PolarHBondContact O-NH1 2.96Å; D486-R614 PolarHBondContact O-NH2 3.19Å; D486-R614 VanDerWaalsContact O-NH2 3.09Å; N611-R614 WeakPolarHBondContact O-CB 3.4Å; N611-R614 PolarHBondContact O-N 2.93Å; N611-R614 PolarHBondContact OD1-NE 2.95Å; R614-G618 WeakPolarHBondContact CD-O 3.38Å; R614-G618 PolarHBondContact NH1-O 3.35Å; R614-R619 CarbonylContact C-O 3.44Å; R614-R619 WeakPolarHBondContact CA-O 3.39Å; R614-L620 HydrophobicContact CG-CD2 3.81Å; R614-R621 PolarHBondContact O-NE 3.05Å
615	D	94.5	Very high	94.1	Very high	18 Å²	18	32 Å²	32	10%	0.096	16%	0.155	C	C	.	.			trans	-90.4	179.2	168.3	71.8	10.4	0	0	0	112	F617 G618 R619 R621	D615-F617 PolarHBondContact O-N 2.92Å; D615-F617 WeakPolarHBondContact OD1-CA 3.3Å; D615-F617 WeakPolarHBondContact OD1-CB 3.12Å; D615-F617 PolarHBondContact OD1-N 3.43Å; D615-G618 PolarHBondContact O-N 2.85Å; D615-G618 PolarHBondContact OD1-N 3.47Å; D615-R619 PolarHBondContact N-O 3.47Å; D615-R619 PolarHBondContact OD1-N 3.49Å; D615-R619 IonicContact OD1-NE 2.68Å; D615-R619 IonicContact OD2-CZ 3.3Å; D615-R619 VanDerWaalsContact OD2-CZ 3.24Å; D615-R619 IonicContact OD2-NE 2.79Å; D615-R619 PolarHBondContact OD2-NE 3.09Å; D615-R619 IonicContact OD2-NH2 3.26Å; D615-R619 PolarHBondContact OD2-NH2 2.94Å; D615-R621 HydrophobicContact CB-CG 3.82Å
616	R	93.3	Very high	94.5	Very high	122 Å²	122	31.5 Å²	31.5	46%	0.46	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-8.4	178.7	79	-172.7	82.6	-126.5	1	114.7	N279 T281	N279-R616 PolarHBondContact OD1-NH2 3.37Å; T281-R616 PolarHBondContact OG1-NE 3.15Å; T281-R616 PolarHBondContact OG1-NH2 2.96Å
617	F	95.3	Very high	94.8	Very high	1 Å²	1	30 Å²	30	0%	0.004	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	4.7	177.7	-52.5	-56.6	0	0	0	112.3	T281 D285 L286 N287 I300 F303 D615 R619	T281-F617 HydrophobicContact CG2-CD2 4.18Å; T281-F617 HydrophobicContact CG2-CE2 3.53Å; T281-F617 HydrophobicContact CG2-CZ 4.44Å; D285-F617 WeakPolarHBondContact OD1-CZ 3.37Å; L286-F617 HydrophobicContact CB-CD1 4.13Å; L286-F617 HydrophobicContact CB-CE1 3.59Å; L286-F617 HydrophobicContact CB-CE2 4.38Å; L286-F617 HydrophobicContact CB-CZ 3.71Å; L286-F617 HydrophobicContact CD1-CD1 3.88Å; L286-F617 HydrophobicContact CD1-CE1 4.23Å; L286-F617 HydrophobicContact CD1-CG 4.11Å; L286-F617 HydrophobicContact CG-CD1 4.14Å; L286-F617 HydrophobicContact CG-CD2 4.43Å; L286-F617 HydrophobicContact CG-CE1 4.05Å; L286-F617 HydrophobicContact CG-CE2 4.31Å; L286-F617 HydrophobicContact CG-CG 4.32Å; L286-F617 HydrophobicContact CG-CZ 4.1Å; N287-F617 VanDerWaalsContact ND2-CZ 3.32Å; N287-F617 WeakPolarHBondContact ND2-CZ 3.26Å; I300-F617 HydrophobicContact CD1-CB 3.9Å; I300-F617 HydrophobicContact CD1-CD1 4.18Å; I300-F617 HydrophobicContact CD1-CG 4.46Å; F303-F617 HydrophobicContact CD2-CD1 4.37Å; F303-F617 HydrophobicContact CD2-CE1 4.03Å; F303-F617 HydrophobicContact CE2-CD1 4.42Å; F303-F617 AromaticContact CE2-CE1 3.68Å; F303-F617 HydrophobicContact CE2-CE1 3.68Å; F303-F617 HydrophobicContact CZ-CE1 4.16Å; D615-F617 PolarHBondContact O-N 2.92Å; D615-F617 WeakPolarHBondContact OD1-CA 3.3Å; D615-F617 WeakPolarHBondContact OD1-CB 3.12Å; D615-F617 PolarHBondContact OD1-N 3.43Å; F617-R619 VanDerWaalsContact C-N 3.3Å; F617-R619 HydrophobicContact CB-CG 4.08Å
618	G	95.4	Very high	95.3	Very high	17 Å²	17	27 Å²	27	18%	0.175	13%	0.131	C	C	.	.	S	Bend	trans	77.6	10.8	-177.8	0	0	0	0	0	114.1	G487 A488 R614 D615	G487-G618 VanDerWaalsContact CA-O 3.27Å; G487-G618 WeakPolarHBondContact CA-O 3.2Å; A488-G618 PolarHBondContact N-O 2.63Å; R614-G618 WeakPolarHBondContact CD-O 3.38Å; R614-G618 PolarHBondContact NH1-O 3.35Å; D615-G618 PolarHBondContact O-N 2.85Å; D615-G618 PolarHBondContact OD1-N 3.47Å
619	R	97.3	Very high	95.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.133	C	C	.	.			trans	-91.7	137	-178.5	-48.2	177.8	-60.1	-170	3.8	109.6	L282 P284 A488 S490 V581 R614 D615 F617 R621	L282-R619 PolarHBondContact O-NH2 2.69Å; P284-R619 PolarHBondContact O-NH1 2.87Å; P284-R619 PolarHBondContact O-NH2 3.42Å; A488-R619 HydrophobicContact CB-CG 4.15Å; A488-R619 WeakPolarHBondContact O-CA 3.19Å; A488-R619 WeakPolarHBondContact O-CB 3.12Å; A488-R619 WeakPolarHBondContact O-CG 3.37Å; S490-R619 WeakPolarHBondContact OG-CD 3.49Å; S490-R619 PolarHBondContact OG-NH1 3.22Å; V581-R619 HydrophobicContact CG1-CB 4.24Å; R614-R619 CarbonylContact C-O 3.44Å; R614-R619 WeakPolarHBondContact CA-O 3.39Å; D615-R619 PolarHBondContact N-O 3.47Å; D615-R619 PolarHBondContact OD1-N 3.49Å; D615-R619 IonicContact OD1-NE 2.68Å; D615-R619 IonicContact OD2-CZ 3.3Å; D615-R619 VanDerWaalsContact OD2-CZ 3.24Å; D615-R619 IonicContact OD2-NE 2.79Å; D615-R619 PolarHBondContact OD2-NE 3.09Å; D615-R619 IonicContact OD2-NH2 3.26Å; D615-R619 PolarHBondContact OD2-NH2 2.94Å; F617-R619 VanDerWaalsContact C-N 3.3Å; F617-R619 HydrophobicContact CB-CG 4.08Å; R619-R621 PolarHBondContact O-N 3.25Å
620	L	96.6	Very high	95.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-57.3	135.8	170	-52.2	172.9	0	0	0	109.2	G582 Y584 Q608 R614 V622	G582-L620 WeakPolarHBondContact CA-O 3.33Å; G582-L620 PolarHBondContact N-O 3.39Å; Y584-L620 HydrophobicContact CD2-CD1 3.94Å; Q608-L620 WeakPolarHBondContact O-CD1 3.24Å; Q608-L620 WeakPolarHBondContact O-CD2 3.33Å; R614-L620 HydrophobicContact CG-CD2 3.81Å; L620-V622 PolarHBondContact O-N 3.19Å
621	R	95.6	Very high	96	Very high	32 Å²	32	29.6 Å²	29.6	12%	0.121	14%	0.144	C	C	.	.	S	Bend	trans	-77.2	47.1	-178.7	-73.8	177.5	-75.8	168.3	-2.8	112.8	F275 L282 L529 E612 F613 R614 D615 R619	F275-R621 HydrophobicContact CD1-CB 4.39Å; F275-R621 HydrophobicContact CD1-CG 4.31Å; F275-R621 HydrophobicContact CE1-CB 3.98Å; F275-R621 HydrophobicContact CE1-CG 4.13Å; F275-R621 HydrophobicContact CZ-CB 4.3Å; L282-R621 HydrophobicContact CD1-CB 4.48Å; L529-R621 VanDerWaalsContact CA-O 3.31Å; L529-R621 WeakPolarHBondContact CA-O 3.42Å; L529-R621 HydrophobicContact CD2-CB 3.54Å; E612-R621 PolarHBondContact O-NH2 2.94Å; F613-R621 WeakPolarHBondContact O-CB 3.1Å; F613-R621 WeakPolarHBondContact O-CG 3.34Å; F613-R621 PolarHBondContact O-N 3.36Å; F613-R621 PolarHBondContact O-NE 3.14Å; R614-R621 PolarHBondContact O-NE 3.05Å; D615-R621 HydrophobicContact CB-CG 3.82Å; R619-R621 PolarHBondContact O-N 3.25Å
622	V	95.5	Very high	96.3	Very high	5 Å²	5	24.6 Å²	24.6	3%	0.03	12%	0.117	C	C	.	.			trans	-122.4	134.3	168.1	-179.7	0	0	0	0	108.4	A528 Q532 V581 G582 Q608 L620	A528-V622 HydrophobicContact CB-CG2 4.2Å; Q532-V622 HydrophobicContact CG-CG1 4.12Å; V581-V622 WeakPolarHBondContact CA-O 3.33Å; G582-V622 PolarHBondContact N-O 3.39Å; Q608-V622 HydrophobicContact CB-CG2 3.78Å; Q608-V622 VanDerWaalsContact OE1-CB 3.23Å; Q608-V622 VanDerWaalsContact OE1-CG1 3.29Å; L620-V622 PolarHBondContact O-N 3.19Å
623	E	98.2	Very high	96.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	131.3	167.1	170	173.5	-113.8	0	0	108.8	L282 R492 C530 T531 Q532 S579 I580 V581 I625 S662 Q663	L282-E623 HydrophobicContact CD1-CB 4.46Å; L282-E623 HydrophobicContact CD2-CB 4.37Å; R492-E623 IonicContact NH2-OE1 3.39Å; R492-E623 PolarHBondContact NH2-OE1 3.35Å; C530-E623 PolarHBondContact O-N 2.93Å; C530-E623 VanDerWaalsContact O-N 3.17Å; T531-E623 CarbonylContact C-O 3.48Å; T531-E623 WeakPolarHBondContact CB-OE2 3.47Å; T531-E623 HydrophobicContact CG2-CG 4.15Å; T531-E623 WeakPolarHBondContact CG2-OE2 3.44Å; T531-E623 PolarHBondContact OG1-OE2 3.36Å; Q532-E623 PolarHBondContact N-O 3.05Å; S579-E623 VanDerWaalsContact CB-OE1 3.29Å; S579-E623 WeakPolarHBondContact CB-OE1 3.35Å; S579-E623 PolarHBondContact OG-OE1 3.34Å; I580-E623 CarbonylContact O-C 3.53Å; I580-E623 WeakPolarHBondContact O-CA 3.39Å; V581-E623 HydrophobicContact CG2-CB 4.02Å; V581-E623 HydrophobicContact CG2-CG 4.31Å; E623-I625 HydrophobicContact CG-CB 4.33Å; E623-S662 PolarHBondContact OE1-OG 3.46Å; E623-Q663 VanDerWaalsContact CD-NE2 3.33Å; E623-Q663 PolarHBondContact OE1-NE2 3.41Å; E623-Q663 VanDerWaalsContact OE2-CG 3.26Å; E623-Q663 WeakPolarHBondContact OE2-CG 3.43Å
624	T	98.7	Very high	96.6	Very high	6 Å²	6	27.2 Å²	27.2	4%	0.037	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	123.8	156.6	-57.5	0	0	0	0	108.3	Q532 D534 R555 M562 I580	Q532-T624 CarbonylContact O-C 3.58Å; Q532-T624 VanDerWaalsContact O-CA 3.28Å; Q532-T624 WeakPolarHBondContact O-CA 3.37Å; D534-T624 HydrophobicContact CB-CG2 3.63Å; R555-T624 HydrophobicContact CG-CG2 4.44Å; R555-T624 PolarHBondContact NH2-OG1 3.22Å; M562-T624 HydrophobicContact CE-CG2 3.57Å; I580-T624 PolarHBondContact N-O 3.22Å; I580-T624 PolarHBondContact O-N 3.09Å
625	I	98.7	Very high	96.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	111.3	-178.5	-171.4	70.9	0	0	0	110.5	T531 Q532 V533 D534 A577 E623 G659	T531-I625 HydrophobicContact CG2-CB 3.96Å; T531-I625 HydrophobicContact CG2-CG2 3.33Å; Q532-I625 PolarHBondContact O-N 3.36Å; V533-I625 HydrophobicContact CB-CG2 4.46Å; V533-I625 HydrophobicContact CG2-CG2 4.01Å; D534-I625 PolarHBondContact N-O 2.82Å; A577-I625 HydrophobicContact CB-CD1 4.24Å; E623-I625 HydrophobicContact CG-CB 4.33Å; I625-G659 WeakPolarHBondContact CG1-O 3.33Å
626	A	98.8	Very high	96.7	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.008	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	121.4	176.2	0	0	0	0	0	110.6	D534 A536 L540 M572 I578	D534-A626 HydrophobicContact CB-CB 4.39Å; D534-A626 WeakPolarHBondContact OD2-CB 3.38Å; A536-A626 HydrophobicContact CB-CB 3.73Å; L540-A626 HydrophobicContact CD1-CB 3.35Å; M572-A626 HydrophobicContact CE-CB 4.33Å; I578-A626 HydrophobicContact CB-CB 4.24Å; I578-A626 PolarHBondContact N-O 2.95Å; I578-A626 PolarHBondContact O-N 3.42Å
627	I	98.8	Very high	96.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.175	C	C	.	.			trans	-134.2	117.6	172.6	46.3	167.2	0	0	0	110.6	V533 D534 A536 A577 K655 A656 F660 W677	V533-I627 HydrophobicContact CG1-CD1 3.81Å; V533-I627 HydrophobicContact CG1-CG1 3.77Å; D534-I627 PolarHBondContact O-N 2.93Å; A536-I627 PolarHBondContact N-O 2.82Å; A577-I627 HydrophobicContact CB-CG2 3.85Å; I627-K655 HydrophobicContact CB-CD 4.02Å; I627-K655 HydrophobicContact CB-CG 4.05Å; I627-K655 HydrophobicContact CG2-CD 4Å; I627-K655 HydrophobicContact CG2-CG 4.29Å; I627-A656 HydrophobicContact CD1-CB 4.31Å; I627-F660 HydrophobicContact CD1-CE1 3.87Å; I627-W677 HydrophobicContact CB-CZ2 4.31Å; I627-W677 HydrophobicContact CD1-CD2 4.21Å; I627-W677 HydrophobicContact CD1-CZ2 4.07Å; I627-W677 HydrophobicContact CG1-CZ2 4.32Å; I627-W677 PolarHBondContact O-NE1 3.23Å
628	D	98.5	Very high	96.8	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.011	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-76.7	132.8	177.9	57.5	-79.3	0	0	0	112.8	A536 E538 M572 R651 K655 W677	A536-D628 VanDerWaalsContact O-CA 3.25Å; A536-D628 WeakPolarHBondContact O-CA 3.23Å; E538-D628 HydrophobicContact CB-CB 4.15Å; M572-D628 HydrophobicContact CE-CB 4.14Å; M572-D628 WeakPolarHBondContact CE-OD1 3.49Å; D628-R651 PolarHBondContact O-NH1 3.16Å; D628-R651 IonicContact OD2-CZ 2.84Å; D628-R651 IonicContact OD2-NH1 2.7Å; D628-R651 PolarHBondContact OD2-NH1 3.28Å; D628-R651 IonicContact OD2-NH2 2.88Å; D628-R651 PolarHBondContact OD2-NH2 2.9Å; D628-K655 WeakPolarHBondContact O-CG 3.39Å; D628-K655 WeakPolarHBondContact OD1-CE 3.45Å; D628-K655 IonicContact OD1-NZ 2.76Å; D628-K655 PolarHBondContact OD1-NZ 3.3Å; D628-K655 IonicContact OD2-NZ 3.04Å; D628-W677 WeakPolarHBondContact O-CZ2 3.11Å
629	A	98.4	Very high	96.9	Very high	7 Å²	7	34.6 Å²	34.6	6%	0.058	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-83.2	165.1	169.8	0	0	0	0	0	111.5	W677 F682 K689	A629-W677 HydrophobicContact CB-CZ2 4.09Å; A629-F682 HydrophobicContact CB-CD2 3.8Å; A629-F682 HydrophobicContact CB-CE2 4.42Å; A629-F682 WeakPolarHBondContact O-CD2 3.5Å; A629-F682 WeakPolarHBondContact O-CE2 3.45Å; A629-K689 VanDerWaalsContact CB-NZ 3.33Å
630	I	98.1	Very high	96.8	Very high	32 Å²	32	34.8 Å²	34.8	16%	0.164	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-72.6	134.5	161.9	-61.8	171.1	0	0	0	108.8	F632 N648 R651 E652	I630-F632 HydrophobicContact CB-CD2 4.33Å; I630-F632 HydrophobicContact CB-CE1 4.19Å; I630-F632 HydrophobicContact CB-CE2 3.54Å; I630-F632 HydrophobicContact CB-CZ 3.46Å; I630-F632 VanDerWaalsContact CB-CZ 3.46Å; I630-F632 HydrophobicContact CD1-CZ 3.96Å; I630-F632 HydrophobicContact CG1-CZ 4.29Å; I630-F632 HydrophobicContact CG2-CD1 4.03Å; I630-F632 HydrophobicContact CG2-CD2 4.15Å; I630-F632 HydrophobicContact CG2-CE1 3.58Å; I630-F632 HydrophobicContact CG2-CE2 3.69Å; I630-F632 HydrophobicContact CG2-CG 4.3Å; I630-F632 HydrophobicContact CG2-CZ 3.39Å; I630-F632 WeakPolarHBondContact O-CD2 3.39Å; I630-F632 WeakPolarHBondContact O-CE2 3.38Å; I630-N648 HydrophobicContact CD1-CB 4.03Å; I630-R651 HydrophobicContact CD1-CB 4.34Å; I630-R651 HydrophobicContact CD1-CG 4.1Å; I630-R651 VanDerWaalsContact CG1-NE 3.33Å; I630-E652 HydrophobicContact CD1-CG 4.16Å; I630-E652 HydrophobicContact CG1-CG 4.41Å; I630-E652 PolarHBondContact N-OE1 2.87Å; I630-E652 PolarHBondContact N-OE2 3.19Å
631	L	97.1	Very high	96.7	Very high	80 Å²	80	36.6 Å²	36.6	42%	0.419	20%	0.2	S	C	.	.			trans	-84.3	111.8	167.1	165.1	60.7	0	0	0	109.4	K633 A681 F682	L631-K633 HydrophobicContact CG-CG 4.4Å; L631-A681 WeakPolarHBondContact CD1-O 3.34Å; L631-F682 HydrophobicContact CB-CD2 3.97Å; L631-F682 HydrophobicContact CB-CE2 4.34Å; L631-F682 HydrophobicContact CB-CG 4.11Å; L631-F682 HydrophobicContact CD1-CB 4.49Å; L631-F682 HydrophobicContact CD1-CD1 4.49Å; L631-F682 HydrophobicContact CD1-CG 4.43Å
632	F	96.6	Very high	96.8	Very high	1 Å²	1	39.2 Å²	39.2	0%	0.004	21%	0.214	C	C	.	.			trans	-91.3	148	176.3	-61.7	-81.1	0	0	0	111.3	I630 C639 E642 Q643 N648 F682 N683	I630-F632 HydrophobicContact CB-CD2 4.33Å; I630-F632 HydrophobicContact CB-CE1 4.19Å; I630-F632 HydrophobicContact CB-CE2 3.54Å; I630-F632 HydrophobicContact CB-CZ 3.46Å; I630-F632 VanDerWaalsContact CB-CZ 3.46Å; I630-F632 HydrophobicContact CD1-CZ 3.96Å; I630-F632 HydrophobicContact CG1-CZ 4.29Å; I630-F632 HydrophobicContact CG2-CD1 4.03Å; I630-F632 HydrophobicContact CG2-CD2 4.15Å; I630-F632 HydrophobicContact CG2-CE1 3.58Å; I630-F632 HydrophobicContact CG2-CE2 3.69Å; I630-F632 HydrophobicContact CG2-CG 4.3Å; I630-F632 HydrophobicContact CG2-CZ 3.39Å; I630-F632 WeakPolarHBondContact O-CD2 3.39Å; I630-F632 WeakPolarHBondContact O-CE2 3.38Å; F632-C639 HydrophobicContact CB-CB 3.94Å; F632-E642 HydrophobicContact CD1-CB 3.74Å; F632-E642 HydrophobicContact CE1-CB 4.03Å; F632-Q643 HydrophobicContact CD1-CG 3.77Å; F632-Q643 HydrophobicContact CD2-CG 3.5Å; F632-Q643 HydrophobicContact CE1-CB 4.44Å; F632-Q643 HydrophobicContact CE1-CG 3.54Å; F632-Q643 HydrophobicContact CE2-CG 3.25Å; F632-Q643 HydrophobicContact CG-CG 3.75Å; F632-Q643 HydrophobicContact CZ-CB 4.34Å; F632-Q643 HydrophobicContact CZ-CG 3.26Å; F632-N648 HydrophobicContact CZ-CB 4.49Å; F632-F682 PolarHBondContact N-O 2.86Å; F632-N683 HydrophobicContact CB-CB 4.33Å; F632-N683 PolarHBondContact O-ND2 2.91Å
633	K	94.4	Very high	96.8	Very high	150 Å²	150	39.3 Å²	39.3	65%	0.652	21%	0.214	S	C	*	.			trans	-138.1	149.5	-174.4	-62.4	-176	-179.2	-177.8	0	111.1	L631 C639	L631-K633 HydrophobicContact CG-CG 4.4Å; K633-C639 VanDerWaalsContact C-SG 3.58Å
634	G	94.7	Very high	96.7	Very high	62 Å²	62	39.8 Å²	39.8	64%	0.639	22%	0.217	S	C	*	.	S	Bend	trans	116.2	-160.3	-176.3	0	0	0	0	0	111.6
635	S	96.1	Very high	96.5	Very high	60 Å²	60	43 Å²	43	42%	0.42	23%	0.234	S	C	.	.	S	Bend	trans	-71	167.9	173.1	76.3	0	0	0	0	111.7	L637 D638 C639	S635-L637 PolarHBondContact O-N 2.67Å; S635-L637 VanDerWaalsContact O-N 3.13Å; S635-L637 PolarHBondContact OG-N 2.62Å; S635-D638 WeakPolarHBondContact CA-OD2 3.3Å; S635-D638 WeakPolarHBondContact CB-OD2 3.47Å; S635-D638 PolarHBondContact N-OD2 3.47Å; S635-D638 PolarHBondContact O-N 2.68Å; S635-D638 VanDerWaalsContact OG-CG 3.25Å; S635-D638 PolarHBondContact OG-N 3.28Å; S635-D638 PolarHBondContact OG-OD2 3.23Å; S635-C639 PolarHBondContact O-N 2.83Å; S635-C639 PolarHBondContact O-SG 3.28Å
636	K	94.2	Very high	96.2	Very high	151 Å²	151	47.9 Å²	47.9	66%	0.657	26%	0.255	S	S	*	.	H	α-helix	trans	-57.5	-26.4	173.1	-61	-174.3	179.6	179.1	0	112.9	Q640 H748	K636-Q640 VanDerWaalsContact O-CB 3.27Å; K636-Q640 WeakPolarHBondContact O-CB 3.41Å; K636-Q640 PolarHBondContact O-N 3Å; K636-H748 HydrophobicContact CB-CB 4.22Å; K636-H748 PolarHBondContact O-CD2 2.84Å
637	L	95.9	Very high	95.9	Very high	51 Å²	51	51.2 Å²	51.2	27%	0.267	28%	0.282	S	S	.	.	H	α-helix	trans	-77.4	-41.1	173.9	176.2	58.6	0	0	0	111.7	S635 Q640 T641 P745 H748	S635-L637 PolarHBondContact O-N 2.67Å; S635-L637 VanDerWaalsContact O-N 3.13Å; S635-L637 PolarHBondContact OG-N 2.62Å; L637-Q640 PolarHBondContact O-N 3.46Å; L637-T641 VanDerWaalsContact O-CB 3.24Å; L637-T641 WeakPolarHBondContact O-CB 3.15Å; L637-T641 PolarHBondContact O-N 3.49Å; L637-T641 PolarHBondContact O-OG1 3.3Å; L637-P745 HydrophobicContact CD1-CB 4.41Å; L637-P745 HydrophobicContact CD1-CG 3.9Å; L637-H748 HydrophobicContact CB-CB 4.2Å
638	D	95.9	Very high	95.8	Very high	80 Å²	80	53.1 Å²	53.1	43%	0.428	29%	0.293	S	S	.	.	H	α-helix	trans	-63.6	-51	177.8	-52.8	-52.8	0	0	0	109.9	S635 Q640 T641 E642	S635-D638 WeakPolarHBondContact CA-OD2 3.3Å; S635-D638 WeakPolarHBondContact CB-OD2 3.47Å; S635-D638 PolarHBondContact N-OD2 3.47Å; S635-D638 PolarHBondContact O-N 2.68Å; S635-D638 VanDerWaalsContact OG-CG 3.25Å; S635-D638 PolarHBondContact OG-N 3.28Å; S635-D638 PolarHBondContact OG-OD2 3.23Å; D638-Q640 VanDerWaalsContact C-N 3.33Å; D638-Q640 PolarHBondContact O-N 2.93Å; D638-T641 PolarHBondContact O-N 3.09Å; D638-T641 VanDerWaalsContact O-N 3.09Å; D638-E642 WeakPolarHBondContact O-CG 3.35Å; D638-E642 PolarHBondContact O-N 3.37Å
639	C	96.3	Very high	95.6	Very high	7 Å²	7	53 Å²	53	5%	0.047	29%	0.292	C	S	.	.	H	α-helix	trans	-56.7	-42.7	176.4	-66.2	0	0	0	0	112.5	F632 K633 S635 Q643 N683	F632-C639 HydrophobicContact CB-CB 3.94Å; K633-C639 VanDerWaalsContact C-SG 3.58Å; S635-C639 PolarHBondContact O-N 2.83Å; S635-C639 PolarHBondContact O-SG 3.28Å; C639-Q643 WeakPolarHBondContact O-CB 3.5Å; C639-Q643 WeakPolarHBondContact O-CG 3.19Å; C639-Q643 PolarHBondContact O-N 2.98Å; C639-Q643 VanDerWaalsContact O-N 3.11Å; C639-Q643 PolarHBondContact O-NE2 2.99Å; C639-N683 HydrophobicContact CB-CB 4.42Å
640	Q	95.4	Very high	95.3	Very high	4 Å²	4	55.4 Å²	55.4	2%	0.019	30%	0.303	C	S	.	.	H	α-helix	trans	-69.7	-36.3	177.4	-170.6	172.8	58.3	0	0	111.9	K636 L637 D638 L644 D685 P745 F749	K636-Q640 VanDerWaalsContact O-CB 3.27Å; K636-Q640 WeakPolarHBondContact O-CB 3.41Å; K636-Q640 PolarHBondContact O-N 3Å; L637-Q640 PolarHBondContact O-N 3.46Å; D638-Q640 VanDerWaalsContact C-N 3.33Å; D638-Q640 PolarHBondContact O-N 2.93Å; Q640-L644 HydrophobicContact CG-CD1 4.2Å; Q640-L644 WeakPolarHBondContact O-CD1 3.38Å; Q640-L644 VanDerWaalsContact O-CG 3.26Å; Q640-L644 WeakPolarHBondContact O-CG 3.32Å; Q640-L644 PolarHBondContact O-N 2.94Å; Q640-D685 PolarHBondContact NE2-OD2 3.45Å; Q640-P745 HydrophobicContact CG-CG 4.26Å; Q640-F749 PolarHBondContact NE2-O 2.9Å; Q640-F749 VanDerWaalsContact OE1-N 3.13Å
641	T	95.6	Very high	95.2	Very high	37 Å²	37	55.6 Å²	55.6	23%	0.227	30%	0.302	C	S	.	.	H	α-helix	trans	-69.8	-45	177.9	-58.4	0	0	0	0	111.4	L637 D638 Q643 L644 N645 L744	L637-T641 VanDerWaalsContact O-CB 3.24Å; L637-T641 WeakPolarHBondContact O-CB 3.15Å; L637-T641 PolarHBondContact O-N 3.49Å; L637-T641 PolarHBondContact O-OG1 3.3Å; D638-T641 PolarHBondContact O-N 3.09Å; D638-T641 VanDerWaalsContact O-N 3.09Å; T641-Q643 VanDerWaalsContact C-N 3.31Å; T641-Q643 PolarHBondContact O-N 3.44Å; T641-L644 PolarHBondContact O-N 3.43Å; T641-N645 PolarHBondContact O-N 3.05Å; T641-L744 HydrophobicContact CG2-CD1 4.02Å; T641-L744 HydrophobicContact CG2-CD2 4.08Å; T641-L744 HydrophobicContact CG2-CG 4.44Å
642	E	96.5	Very high	95.2	Very high	87 Å²	87	52 Å²	52	41%	0.407	28%	0.283	S	S	.	.	H	α-helix	trans	-61.2	-39.7	175.4	-74.4	-162.4	147.9	0	0	112	F632 D638 L644 N645 N648	F632-E642 HydrophobicContact CD1-CB 3.74Å; F632-E642 HydrophobicContact CE1-CB 4.03Å; D638-E642 WeakPolarHBondContact O-CG 3.35Å; D638-E642 PolarHBondContact O-N 3.37Å; E642-L644 VanDerWaalsContact C-N 3.35Å; E642-L644 PolarHBondContact O-N 2.74Å; E642-N645 WeakPolarHBondContact O-CB 3.39Å; E642-N645 PolarHBondContact O-N 3.32Å; E642-N645 PolarHBondContact O-ND2 3.09Å; E642-N648 PolarHBondContact O-ND2 3.33Å
643	Q	96.1	Very high	95.1	Very high	8 Å²	8	52 Å²	52	4%	0.037	28%	0.283	C	S	.	.	H	α-helix	trans	-65.7	-35.3	178.2	-83.2	176.2	83.5	0	0	113.6	F632 C639 T641 N645 I649 N683 G684 L688	F632-Q643 HydrophobicContact CD1-CG 3.77Å; F632-Q643 HydrophobicContact CD2-CG 3.5Å; F632-Q643 HydrophobicContact CE1-CB 4.44Å; F632-Q643 HydrophobicContact CE1-CG 3.54Å; F632-Q643 HydrophobicContact CE2-CG 3.25Å; F632-Q643 HydrophobicContact CG-CG 3.75Å; F632-Q643 HydrophobicContact CZ-CB 4.34Å; F632-Q643 HydrophobicContact CZ-CG 3.26Å; C639-Q643 WeakPolarHBondContact O-CB 3.5Å; C639-Q643 WeakPolarHBondContact O-CG 3.19Å; C639-Q643 PolarHBondContact O-N 2.98Å; C639-Q643 VanDerWaalsContact O-N 3.11Å; C639-Q643 PolarHBondContact O-NE2 2.99Å; T641-Q643 VanDerWaalsContact C-N 3.31Å; T641-Q643 PolarHBondContact O-N 3.44Å; Q643-N645 PolarHBondContact O-N 3.36Å; Q643-I649 VanDerWaalsContact O-CG1 3.26Å; Q643-I649 WeakPolarHBondContact O-CG1 3.29Å; Q643-N683 PolarHBondContact NE2-O 3.18Å; Q643-G684 VanDerWaalsContact OE1-CA 3.26Å; Q643-L688 HydrophobicContact CB-CD2 3.78Å
644	L	95.9	Very high	95	Very high	9 Å²	9	46.1 Å²	46.1	5%	0.047	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-2.4	178.6	-64.9	169.8	0	0	0	113.4	Q640 T641 E642 K646 L688 T742 L744 P745 Y752 V753	Q640-L644 HydrophobicContact CG-CD1 4.2Å; Q640-L644 WeakPolarHBondContact O-CD1 3.38Å; Q640-L644 VanDerWaalsContact O-CG 3.26Å; Q640-L644 WeakPolarHBondContact O-CG 3.32Å; Q640-L644 PolarHBondContact O-N 2.94Å; T641-L644 PolarHBondContact O-N 3.43Å; E642-L644 VanDerWaalsContact C-N 3.35Å; E642-L644 PolarHBondContact O-N 2.74Å; L644-K646 PolarHBondContact O-N 2.65Å; L644-L688 HydrophobicContact CD2-CD1 4.15Å; L644-L688 HydrophobicContact CD2-CD2 3.94Å; L644-T742 HydrophobicContact CD2-CG2 4.45Å; L644-L744 HydrophobicContact CB-CD2 3.98Å; L644-P745 HydrophobicContact CD1-CG 4.35Å; L644-Y752 HydrophobicContact CD1-CD1 3.88Å; L644-Y752 HydrophobicContact CD1-CE1 3.97Å; L644-V753 HydrophobicContact CD2-CG2 3.77Å
645	N	94.7	Very high	95.1	Very high	74 Å²	74	43.2 Å²	43.2	40%	0.396	23%	0.227	S	C	.	.	S	Bend	trans	-63.7	128.7	168.3	-76.1	-43.7	0	0	0	110.6	T641 E642 Q643 A647 N648 I649	T641-N645 PolarHBondContact O-N 3.05Å; E642-N645 WeakPolarHBondContact O-CB 3.39Å; E642-N645 PolarHBondContact O-N 3.32Å; E642-N645 PolarHBondContact O-ND2 3.09Å; Q643-N645 PolarHBondContact O-N 3.36Å; N645-A647 PolarHBondContact O-N 3.34Å; N645-N648 PolarHBondContact O-N 3.46Å; N645-I649 PolarHBondContact O-N 3.49Å
646	K	91.8	Very high	95.1	Very high	102 Å²	102	40.3 Å²	40.3	44%	0.443	21%	0.207	S	C	.	.	H	α-helix	trans	-50.8	-38.6	-175.7	-55.4	-168.5	179.3	-121.1	0	113.4	L644 I650 N740 N741	L644-K646 PolarHBondContact O-N 2.65Å; K646-I650 WeakPolarHBondContact O-CB 3.26Å; K646-I650 WeakPolarHBondContact O-CD1 3.38Å; K646-I650 WeakPolarHBondContact O-CG1 3.48Å; K646-I650 PolarHBondContact O-N 3.13Å; K646-N740 VanDerWaalsContact CB-OD1 3.31Å; K646-N740 WeakPolarHBondContact CB-OD1 3.3Å; K646-N740 WeakPolarHBondContact CD-OD1 3.17Å; K646-N740 VanDerWaalsContact CE-O 3.28Å; K646-N740 WeakPolarHBondContact CE-O 3.4Å; K646-N740 WeakPolarHBondContact CG-OD1 3.32Å; K646-N740 PolarHBondContact NZ-O 3.1Å; K646-N741 PolarHBondContact NZ-OD1 2.83Å
647	A	93.2	Very high	95.1	Very high	71 Å²	71	33.1 Å²	33.1	59%	0.587	18%	0.176	S	C	*	.	H	α-helix	trans	-63.6	-39.1	177.1	0	0	0	0	0	113.1	N645 R651	N645-A647 PolarHBondContact O-N 3.34Å; A647-R651 VanDerWaalsContact O-CB 3.32Å; A647-R651 WeakPolarHBondContact O-CB 3.29Å; A647-R651 PolarHBondContact O-N 3.31Å
648	N	96	Very high	95	Very high	41 Å²	41	30.9 Å²	30.9	22%	0.219	16%	0.164	C	C	.	.	H	α-helix	trans	-75.7	-43.8	179.7	-70	-17.7	0	0	0	111.2	I630 F632 E642 N645 I650 R651 E652	I630-N648 HydrophobicContact CD1-CB 4.03Å; F632-N648 HydrophobicContact CZ-CB 4.49Å; E642-N648 PolarHBondContact O-ND2 3.33Å; N645-N648 PolarHBondContact O-N 3.46Å; N648-I650 VanDerWaalsContact C-N 3.28Å; N648-I650 PolarHBondContact O-N 3.18Å; N648-R651 PolarHBondContact O-N 2.98Å; N648-E652 WeakPolarHBondContact O-CG 3.48Å; N648-E652 PolarHBondContact O-N 2.96Å
649	I	95	Very high	95	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-53.1	-48.5	170.3	-60.1	179.7	0	0	0	110.3	Q643 N645 M653 I692 I739	Q643-I649 VanDerWaalsContact O-CG1 3.26Å; Q643-I649 WeakPolarHBondContact O-CG1 3.29Å; N645-I649 PolarHBondContact O-N 3.49Å; I649-M653 VanDerWaalsContact O-CB 3.23Å; I649-M653 WeakPolarHBondContact O-CB 3.24Å; I649-M653 PolarHBondContact O-N 3.11Å; I649-I692 HydrophobicContact CG2-CD1 4.47Å; I649-I739 WeakPolarHBondContact CD1-O 3.44Å; I649-I739 HydrophobicContact CG2-CD1 3.6Å; I649-I739 HydrophobicContact CG2-CG1 4.13Å
650	I	92.3	Very high	95	Very high	57 Å²	57	26.7 Å²	26.7	29%	0.292	14%	0.141	S	C	.	.	H	α-helix	trans	-62.8	-49.1	178.5	-71.9	167	0	0	0	110.7	K646 N648 E652 M653 K654 F736	K646-I650 WeakPolarHBondContact O-CB 3.26Å; K646-I650 WeakPolarHBondContact O-CD1 3.38Å; K646-I650 WeakPolarHBondContact O-CG1 3.48Å; K646-I650 PolarHBondContact O-N 3.13Å; N648-I650 VanDerWaalsContact C-N 3.28Å; N648-I650 PolarHBondContact O-N 3.18Å; I650-E652 PolarHBondContact O-N 2.89Å; I650-M653 PolarHBondContact O-N 3.15Å; I650-K654 HydrophobicContact CG2-CD 4.37Å; I650-K654 HydrophobicContact CG2-CG 3.99Å; I650-K654 WeakPolarHBondContact O-CG 3.17Å; I650-K654 PolarHBondContact O-N 2.96Å; I650-F736 HydrophobicContact CD1-CZ 4.48Å; I650-F736 HydrophobicContact CG1-CE2 4.24Å; I650-F736 HydrophobicContact CG1-CZ 4.04Å
651	R	95	Very high	94.9	Very high	35 Å²	35	28.6 Å²	28.6	13%	0.132	15%	0.151	C	C	.	.	H	α-helix	trans	-54	-51.2	179.4	-178.1	-74.6	-160	-155.5	-7.4	111.7	D628 I630 A647 N648 M653 K654 K655	D628-R651 PolarHBondContact O-NH1 3.16Å; D628-R651 IonicContact OD2-CZ 2.84Å; D628-R651 IonicContact OD2-NH1 2.7Å; D628-R651 PolarHBondContact OD2-NH1 3.28Å; D628-R651 IonicContact OD2-NH2 2.88Å; D628-R651 PolarHBondContact OD2-NH2 2.9Å; I630-R651 HydrophobicContact CD1-CB 4.34Å; I630-R651 HydrophobicContact CD1-CG 4.1Å; I630-R651 VanDerWaalsContact CG1-NE 3.33Å; A647-R651 VanDerWaalsContact O-CB 3.32Å; A647-R651 WeakPolarHBondContact O-CB 3.29Å; A647-R651 PolarHBondContact O-N 3.31Å; N648-R651 PolarHBondContact O-N 2.98Å; R651-M653 VanDerWaalsContact C-N 3.34Å; R651-M653 PolarHBondContact O-N 3.35Å; R651-K654 PolarHBondContact O-N 3.29Å; R651-K655 WeakPolarHBondContact O-CB 3.38Å; R651-K655 PolarHBondContact O-N 2.68Å
652	E	97.4	Very high	94.8	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.019	14%	0.143	C	C	.	.	H	α-helix	trans	-66.8	-37.4	-178.1	-61.9	-68.7	-119.6	0	0	111.7	I630 N648 I650 K655 A656 W677 K689 I692	I630-E652 HydrophobicContact CD1-CG 4.16Å; I630-E652 HydrophobicContact CG1-CG 4.41Å; I630-E652 PolarHBondContact N-OE1 2.87Å; I630-E652 PolarHBondContact N-OE2 3.19Å; N648-E652 WeakPolarHBondContact O-CG 3.48Å; N648-E652 PolarHBondContact O-N 2.96Å; I650-E652 PolarHBondContact O-N 2.89Å; E652-K655 PolarHBondContact O-N 2.73Å; E652-A656 WeakPolarHBondContact O-CB 3.37Å; E652-A656 PolarHBondContact O-N 3.09Å; E652-W677 HydrophobicContact CB-CH2 4.16Å; E652-W677 HydrophobicContact CB-CZ3 4.19Å; E652-K689 WeakPolarHBondContact OE1-CE 3.49Å; E652-K689 IonicContact OE1-NZ 3.78Å; E652-K689 PolarHBondContact OE1-NZ 3.19Å; E652-I692 HydrophobicContact CB-CD1 4.15Å; E652-I692 HydrophobicContact CB-CG2 4.21Å
653	M	93.8	Very high	94.6	Very high	3 Å²	3	23.5 Å²	23.5	2%	0.015	13%	0.125	C	C	.	.	H	α-helix	trans	-68.2	-38.2	174.3	-168.9	-82.7	-65.8	0	0	112.3	F501 I649 I650 R651 S657 I692 I695 F736	F501-M653 HydrophobicContact CE1-CE 3.9Å; F501-M653 HydrophobicContact CE1-SD 4.42Å; F501-M653 HydrophobicContact CZ-CE 3.86Å; F501-M653 HydrophobicContact CZ-SD 3.76Å; I649-M653 VanDerWaalsContact O-CB 3.23Å; I649-M653 WeakPolarHBondContact O-CB 3.24Å; I649-M653 PolarHBondContact O-N 3.11Å; I650-M653 PolarHBondContact O-N 3.15Å; R651-M653 VanDerWaalsContact C-N 3.34Å; R651-M653 PolarHBondContact O-N 3.35Å; M653-S657 VanDerWaalsContact O-CB 3.23Å; M653-S657 WeakPolarHBondContact O-CB 3.43Å; M653-S657 PolarHBondContact O-N 2.81Å; M653-S657 PolarHBondContact O-OG 2.94Å; M653-I692 HydrophobicContact CB-CG2 4.13Å; M653-I695 HydrophobicContact CG-CB 4.42Å; M653-I695 HydrophobicContact CG-CG2 3.83Å; M653-I695 HydrophobicContact SD-CG2 4.09Å; M653-F736 HydrophobicContact CE-CD2 4.27Å; M653-F736 HydrophobicContact CE-CE2 3.93Å
654	K	92.9	Very high	94	Very high	26 Å²	26	24.3 Å²	24.3	11%	0.113	14%	0.136	C	C	.	.	H	α-helix	trans	-60	-53.6	171.4	-59.3	-139.4	174.1	-165.4	0	110.4	F501 N502 L575 I650 R651 A656 S657 I658	F501-K654 HydrophobicContact CB-CD 4.45Å; F501-K654 HydrophobicContact CD1-CD 3.4Å; F501-K654 HydrophobicContact CD1-CG 3.83Å; F501-K654 VanDerWaalsContact CD1-NZ 3.32Å; F501-K654 HydrophobicContact CD2-CB 4.48Å; F501-K654 HydrophobicContact CD2-CD 4.26Å; F501-K654 HydrophobicContact CD2-CG 4.45Å; F501-K654 HydrophobicContact CE1-CB 4.34Å; F501-K654 HydrophobicContact CE1-CD 3.68Å; F501-K654 HydrophobicContact CE1-CG 3.52Å; F501-K654 HydrophobicContact CE2-CB 4.12Å; F501-K654 HydrophobicContact CE2-CD 4.48Å; F501-K654 HydrophobicContact CE2-CG 4.19Å; F501-K654 HydrophobicContact CG-CD 3.75Å; F501-K654 HydrophobicContact CG-CG 4.31Å; F501-K654 HydrophobicContact CZ-CB 4.05Å; F501-K654 HydrophobicContact CZ-CD 4.22Å; F501-K654 HydrophobicContact CZ-CG 3.73Å; N502-K654 PolarHBondContact OD1-NZ 2.99Å; L575-K654 HydrophobicContact CD2-CB 3.97Å; L575-K654 HydrophobicContact CD2-CD 3.6Å; L575-K654 HydrophobicContact CD2-CG 4.39Å; I650-K654 HydrophobicContact CG2-CD 4.37Å; I650-K654 HydrophobicContact CG2-CG 3.99Å; I650-K654 WeakPolarHBondContact O-CG 3.17Å; I650-K654 PolarHBondContact O-N 2.96Å; R651-K654 PolarHBondContact O-N 3.29Å; K654-A656 PolarHBondContact O-N 2.92Å; K654-S657 PolarHBondContact O-N 3.43Å; K654-I658 WeakPolarHBondContact O-CD1 3.48Å; K654-I658 WeakPolarHBondContact O-CG1 3.27Å; K654-I658 PolarHBondContact O-N 3.21Å
655	K	96.9	Very high	93.5	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-56.2	-52.3	-178.3	174.4	64.5	59.1	166.2	0	112.2	K573 Q574 E576 I627 D628 R651 E652 I658 G659 W677	K573-K655 PolarHBondContact O-NZ 3.45Å; Q574-K655 WeakPolarHBondContact O-CE 3.25Å; E576-K655 PolarHBondContact O-NZ 3.41Å; I627-K655 HydrophobicContact CB-CD 4.02Å; I627-K655 HydrophobicContact CB-CG 4.05Å; I627-K655 HydrophobicContact CG2-CD 4Å; I627-K655 HydrophobicContact CG2-CG 4.29Å; D628-K655 WeakPolarHBondContact O-CG 3.39Å; D628-K655 WeakPolarHBondContact OD1-CE 3.45Å; D628-K655 IonicContact OD1-NZ 2.76Å; D628-K655 PolarHBondContact OD1-NZ 3.3Å; D628-K655 IonicContact OD2-NZ 3.04Å; R651-K655 WeakPolarHBondContact O-CB 3.38Å; R651-K655 PolarHBondContact O-N 2.68Å; E652-K655 PolarHBondContact O-N 2.73Å; K655-I658 PolarHBondContact O-N 2.97Å; K655-G659 PolarHBondContact O-N 2.95Å; K655-W677 HydrophobicContact CB-CH2 4.34Å; K655-W677 HydrophobicContact CG-CH2 4.07Å; K655-W677 HydrophobicContact CG-CZ2 3.9Å
656	A	97.3	Very high	93.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61.1	-47.5	177.6	0	0	0	0	0	111.5	I627 E652 K654 I658 G659 F660 W677 A696	I627-A656 HydrophobicContact CD1-CB 4.31Å; E652-A656 WeakPolarHBondContact O-CB 3.37Å; E652-A656 PolarHBondContact O-N 3.09Å; K654-A656 PolarHBondContact O-N 2.92Å; A656-I658 VanDerWaalsContact C-N 3.31Å; A656-I658 PolarHBondContact O-N 2.71Å; A656-G659 PolarHBondContact O-N 3.11Å; A656-F660 HydrophobicContact CB-CE2 4.45Å; A656-F660 HydrophobicContact CB-CZ 4.35Å; A656-F660 VanDerWaalsContact O-CB 3.32Å; A656-F660 WeakPolarHBondContact O-CB 3.35Å; A656-F660 WeakPolarHBondContact O-CD1 3.35Å; A656-F660 WeakPolarHBondContact O-CG 3.46Å; A656-F660 PolarHBondContact O-N 3.34Å; A656-W677 HydrophobicContact CB-CH2 4.26Å; A656-W677 HydrophobicContact CB-CZ3 4.04Å; A656-A696 HydrophobicContact CB-CB 3.64Å
657	S	93.8	Very high	93.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-59.2	-40.3	179.6	-58.4	0	0	0	0	112.5	M653 K654 F660 M661 A696	M653-S657 VanDerWaalsContact O-CB 3.23Å; M653-S657 WeakPolarHBondContact O-CB 3.43Å; M653-S657 PolarHBondContact O-N 2.81Å; M653-S657 PolarHBondContact O-OG 2.94Å; K654-S657 PolarHBondContact O-N 3.43Å; S657-F660 PolarHBondContact O-N 3.14Å; S657-M661 VanDerWaalsContact O-CB 3.27Å; S657-M661 WeakPolarHBondContact O-CB 3.47Å; S657-M661 VanDerWaalsContact O-CG 3.28Å; S657-M661 WeakPolarHBondContact O-CG 3.42Å; S657-M661 PolarHBondContact O-N 2.86Å; S657-A696 WeakPolarHBondContact OG-CA 3.31Å
658	I	93.2	Very high	93.3	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.015	15%	0.15	C	C	.	.	H	α-helix	trans	-66.6	-39.6	179.8	-68.9	166.1	0	0	0	111.5	T494 M496 L575 A577 K654 K655 A656 S662	T494-I658 HydrophobicContact CG2-CG2 4.17Å; M496-I658 HydrophobicContact CB-CD1 3.7Å; M496-I658 HydrophobicContact CB-CG1 3.7Å; M496-I658 HydrophobicContact CB-CG2 4.43Å; M496-I658 HydrophobicContact CG-CG1 4.4Å; M496-I658 HydrophobicContact SD-CD1 4.47Å; M496-I658 HydrophobicContact SD-CG1 3.81Å; L575-I658 HydrophobicContact CB-CD1 3.84Å; L575-I658 HydrophobicContact CD2-CD1 3.8Å; L575-I658 HydrophobicContact CG-CD1 4.41Å; A577-I658 HydrophobicContact CB-CG2 4.12Å; K654-I658 WeakPolarHBondContact O-CD1 3.48Å; K654-I658 WeakPolarHBondContact O-CG1 3.27Å; K654-I658 PolarHBondContact O-N 3.21Å; K655-I658 PolarHBondContact O-N 2.97Å; A656-I658 VanDerWaalsContact C-N 3.31Å; A656-I658 PolarHBondContact O-N 2.71Å; I658-S662 PolarHBondContact O-N 3.23Å
659	G	96.3	Very high	93.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64	-43.3	170.4	0	0	0	0	0	112.2	I625 K655 A656 S662	I625-G659 WeakPolarHBondContact CG1-O 3.33Å; K655-G659 PolarHBondContact O-N 2.95Å; A656-G659 PolarHBondContact O-N 3.11Å; G659-S662 WeakPolarHBondContact O-CB 3.4Å; G659-S662 PolarHBondContact O-N 3.2Å; G659-S662 PolarHBondContact O-OG 2.97Å
660	F	96.6	Very high	93.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-72.9	-32.9	-173.1	-69.4	9.9	0	0	0	112.7	V533 I627 A656 S657 S662 I672 Q693 A696 A697 A700 R702 L704	V533-F660 HydrophobicContact CG2-CE1 3.73Å; V533-F660 HydrophobicContact CG2-CZ 4.32Å; I627-F660 HydrophobicContact CD1-CE1 3.87Å; A656-F660 HydrophobicContact CB-CE2 4.45Å; A656-F660 HydrophobicContact CB-CZ 4.35Å; A656-F660 VanDerWaalsContact O-CB 3.32Å; A656-F660 WeakPolarHBondContact O-CB 3.35Å; A656-F660 WeakPolarHBondContact O-CD1 3.35Å; A656-F660 WeakPolarHBondContact O-CG 3.46Å; A656-F660 PolarHBondContact O-N 3.34Å; S657-F660 PolarHBondContact O-N 3.14Å; F660-S662 VanDerWaalsContact C-N 3.34Å; F660-I672 HydrophobicContact CB-CD1 3.33Å; F660-I672 HydrophobicContact CD1-CD1 3.91Å; F660-I672 HydrophobicContact CD1-CG2 3.87Å; F660-I672 HydrophobicContact CD2-CD1 3.61Å; F660-I672 HydrophobicContact CD2-CG2 4.4Å; F660-I672 HydrophobicContact CE1-CG2 3.71Å; F660-I672 HydrophobicContact CE2-CD1 4.38Å; F660-I672 HydrophobicContact CE2-CG2 4.24Å; F660-I672 HydrophobicContact CG-CD1 3.34Å; F660-I672 HydrophobicContact CG-CG2 4.25Å; F660-I672 HydrophobicContact CZ-CG2 3.91Å; F660-Q693 HydrophobicContact CE2-CB 4.28Å; F660-Q693 HydrophobicContact CE2-CG 4.47Å; F660-Q693 HydrophobicContact CZ-CB 4.43Å; F660-Q693 HydrophobicContact CZ-CG 4.2Å; F660-A696 HydrophobicContact CD2-CB 3.59Å; F660-A696 HydrophobicContact CE2-CB 3.8Å; F660-A696 HydrophobicContact CG-CB 4.48Å; F660-A697 HydrophobicContact CD2-CB 4.24Å; F660-A697 HydrophobicContact CE2-CB 4.4Å; F660-A700 HydrophobicContact CB-CB 3.72Å; F660-R702 PolarHBondContact O-NH1 2.89Å; F660-R702 VanDerWaalsContact O-NH1 3.12Å; F660-L704 HydrophobicContact CE2-CD1 4.27Å
661	M	93.2	Very high	93.4	Very high	44 Å²	44	28.7 Å²	28.7	22%	0.217	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	5.4	172	-65.5	-174	-55.5	0	0	114	M496 S657 Q663 V699 A700	M496-M661 HydrophobicContact CE-CE 3.72Å; M496-M661 HydrophobicContact SD-CE 3.56Å; M496-M661 VanDerWaalsContact SD-CE 3.56Å; S657-M661 VanDerWaalsContact O-CB 3.27Å; S657-M661 WeakPolarHBondContact O-CB 3.47Å; S657-M661 VanDerWaalsContact O-CG 3.28Å; S657-M661 WeakPolarHBondContact O-CG 3.42Å; S657-M661 PolarHBondContact O-N 2.86Å; M661-Q663 PolarHBondContact O-N 3.04Å; M661-Q663 VanDerWaalsContact O-N 3.1Å; M661-V699 HydrophobicContact CE-CG1 4.28Å; M661-V699 HydrophobicContact SD-CG1 3.8Å; M661-A700 HydrophobicContact CG-CB 3.64Å
662	S	92.2	Very high	93.5	Very high	8 Å²	8	27 Å²	27	6%	0.056	15%	0.15	C	C	.	.	S	Bend	trans	-63.2	-17.4	179.2	68.5	0	0	0	0	113.3	R492 T494 E623 I658 G659 F660	R492-S662 PolarHBondContact NH2-O 3.14Å; T494-S662 WeakPolarHBondContact OG1-CB 3.05Å; E623-S662 PolarHBondContact OE1-OG 3.46Å; I658-S662 PolarHBondContact O-N 3.23Å; G659-S662 WeakPolarHBondContact O-CB 3.4Å; G659-S662 PolarHBondContact O-N 3.2Å; G659-S662 PolarHBondContact O-OG 2.97Å; F660-S662 VanDerWaalsContact C-N 3.34Å
663	Q	93.1	Very high	93.6	Very high	8 Å²	8	26.9 Å²	26.9	4%	0.037	15%	0.149	C	C	.	.	S	Bend	trans	-103.6	144	170.3	-62.9	-59.9	-27.1	0	0	110.8	L282 E623 M661 F667	L282-Q663 VanDerWaalsContact CD2-CD 3.43Å; L282-Q663 HydrophobicContact CD2-CG 3.89Å; E623-Q663 VanDerWaalsContact CD-NE2 3.33Å; E623-Q663 PolarHBondContact OE1-NE2 3.41Å; E623-Q663 VanDerWaalsContact OE2-CG 3.26Å; E623-Q663 WeakPolarHBondContact OE2-CG 3.43Å; M661-Q663 PolarHBondContact O-N 3.04Å; M661-Q663 VanDerWaalsContact O-N 3.1Å; Q663-F667 HydrophobicContact CB-CB 4.07Å; Q663-F667 HydrophobicContact CB-CD1 4.28Å; Q663-F667 HydrophobicContact CB-CD2 3.79Å; Q663-F667 HydrophobicContact CB-CE2 4.31Å; Q663-F667 HydrophobicContact CB-CG 3.77Å
664	G	84.3	Confident	93.8	Very high	25 Å²	25	26.8 Å²	26.8	26%	0.258	15%	0.148	S	C	.	.			trans	-67.1	168.1	-173.5	0	0	0	0	0	114.4	K666 F667	G664-K666 PolarHBondContact O-N 3.32Å; G664-F667 WeakPolarHBondContact O-CD2 3.49Å; G664-F667 PolarHBondContact O-N 3.26Å
665	P	85.5	Confident	94.1	Very high	129 Å²	129	25.5 Å²	25.5	84%	0.838	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	13.5	-170.5	29.4	-38	0	0	0	115.9
666	K	90.4	Very high	94.1	Very high	149 Å²	149	26.2 Å²	26.2	65%	0.648	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-12.6	167.1	-66.7	-164.6	170.1	-159.3	0	113.4	L280 G664 T668	L280-K666 HydrophobicContact CD2-CB 3.6Å; L280-K666 HydrophobicContact CD2-CD 4.41Å; L280-K666 WeakPolarHBondContact CD2-O 3.34Å; G664-K666 PolarHBondContact O-N 3.32Å; K666-T668 PolarHBondContact O-N 3.08Å
667	F	94	Very high	94.1	Very high	9 Å²	9	26.3 Å²	26.3	4%	0.039	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-83.7	18.2	-175.8	-78.9	-95.4	0	0	0	113.6	F275 L280 L282 Q663 G664 N669 I670 R702	F275-F667 AromaticContact CE1-CE1 3.84Å; F275-F667 HydrophobicContact CE1-CE1 3.84Å; F275-F667 HydrophobicContact CE1-CZ 4.36Å; F275-F667 AromaticContact CZ-CE1 3.76Å; F275-F667 HydrophobicContact CZ-CE1 3.76Å; L280-F667 HydrophobicContact CB-CE1 4.16Å; L280-F667 HydrophobicContact CB-CE2 4.48Å; L280-F667 HydrophobicContact CB-CZ 3.93Å; L280-F667 HydrophobicContact CD1-CD1 4.28Å; L280-F667 HydrophobicContact CD1-CE1 4.26Å; L282-F667 HydrophobicContact CD2-CD1 4.25Å; L282-F667 HydrophobicContact CD2-CE1 3.44Å; L282-F667 VanDerWaalsContact CD2-CE1 3.44Å; L282-F667 HydrophobicContact CD2-CZ 3.74Å; L282-F667 HydrophobicContact CG-CE1 4.17Å; L282-F667 HydrophobicContact CG-CZ 4.19Å; Q663-F667 HydrophobicContact CB-CB 4.07Å; Q663-F667 HydrophobicContact CB-CD1 4.28Å; Q663-F667 HydrophobicContact CB-CD2 3.79Å; Q663-F667 HydrophobicContact CB-CE2 4.31Å; Q663-F667 HydrophobicContact CB-CG 3.77Å; G664-F667 WeakPolarHBondContact O-CD2 3.49Å; G664-F667 PolarHBondContact O-N 3.26Å; F667-N669 PolarHBondContact O-N 3.47Å; F667-N669 VanDerWaalsContact O-N 3.16Å; F667-I670 HydrophobicContact CB-CB 4.44Å; F667-I670 HydrophobicContact CD1-CB 3.93Å; F667-I670 HydrophobicContact CD1-CG1 3.79Å; F667-I670 HydrophobicContact CD1-CG2 4.14Å; F667-I670 HydrophobicContact CE1-CG1 4.42Å; F667-I670 PolarHBondContact O-N 2.94Å; F667-R702 PolarHBondContact O-NE 3.41Å
668	T	91.1	Very high	94.3	Very high	40 Å²	40	26.8 Å²	26.8	25%	0.245	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-57.6	-34.2	-174	60.1	0	0	0	0	113.1	K666 D701 P703	K666-T668 PolarHBondContact O-N 3.08Å; T668-D701 WeakPolarHBondContact CA-O 3.44Å; T668-D701 WeakPolarHBondContact CB-O 3.39Å; T668-D701 HydrophobicContact CG2-CB 4.06Å; T668-P703 WeakPolarHBondContact O-CD 2.98Å
669	N	91.9	Very high	94.5	Very high	119 Å²	119	27.5 Å²	27.5	64%	0.636	16%	0.156	S	C	*	.	G	3₁₀ helix	trans	-96.8	8.9	-177.4	-57.1	3.6	0	0	0	112.5	F667	F667-N669 PolarHBondContact O-N 3.47Å; F667-N669 VanDerWaalsContact O-N 3.16Å
670	I	95.7	Very high	94.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.183	C	C	.	.	S	Bend	trans	-107.7	115.5	179.8	-58	-53.3	0	0	0	108.6	A274 F275 L280 F667 R702	A274-I670 HydrophobicContact CB-CD1 3.64Å; F275-I670 HydrophobicContact CD2-CD1 3.51Å; F275-I670 HydrophobicContact CD2-CG1 4.23Å; F275-I670 HydrophobicContact CE2-CD1 3.58Å; F275-I670 HydrophobicContact CE2-CG1 3.9Å; F275-I670 HydrophobicContact CE2-CG2 3.84Å; F275-I670 HydrophobicContact CG-CD1 4.49Å; F275-I670 HydrophobicContact CZ-CG2 4.34Å; L280-I670 HydrophobicContact CD1-CD1 3.83Å; L280-I670 HydrophobicContact CD1-CG1 3.49Å; L280-I670 VanDerWaalsContact CD1-CG1 3.49Å; F667-I670 HydrophobicContact CB-CB 4.44Å; F667-I670 HydrophobicContact CD1-CB 3.93Å; F667-I670 HydrophobicContact CD1-CG1 3.79Å; F667-I670 HydrophobicContact CD1-CG2 4.14Å; F667-I670 HydrophobicContact CE1-CG1 4.42Å; F667-I670 PolarHBondContact O-N 2.94Å; I670-R702 PolarHBondContact O-NE 3.02Å; I670-R702 PolarHBondContact O-NH2 2.95Å
671	P	96.1	Very high	94.2	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.006	21%	0.213	C	C	.	.			trans	-71.3	164.2	-169.4	30	-37.2	0	0	0	113.4	H271 C530 T531 R702 P703 H705	H271-P671 VanDerWaalsContact CE1-CG 3.46Å; H271-P671 WeakPolarHBondContact CE1-CG 3.31Å; H271-P671 VanDerWaalsContact NE2-CD 3.34Å; H271-P671 WeakPolarHBondContact NE2-CD 3.38Å; H271-P671 VanDerWaalsContact NE2-CG 3.28Å; H271-P671 WeakPolarHBondContact NE2-CG 3.4Å; C530-P671 HydrophobicContact CB-CG 4.16Å; T531-P671 PolarHBondContact N-O 2.76Å; T531-P671 VanDerWaalsContact N-O 3.16Å; P671-R702 PolarHBondContact O-NH2 3.19Å; P671-P703 WeakPolarHBondContact CA-O 3.39Å; P671-P703 HydrophobicContact CB-CB 4.18Å; P671-H705 HydrophobicContact CB-CB 4.32Å; P671-H705 WeakPolarHBondContact CB-CD2 3.4Å; P671-H705 WeakPolarHBondContact CB-NE2 3.48Å
672	I	98.4	Very high	94.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	112	168.6	-55.7	-175.4	0	0	0	107.1	T531 V533 F660 R702 P703 L704 H705	T531-I672 CarbonylContact O-C 3.52Å; T531-I672 WeakPolarHBondContact O-CA 3.41Å; V533-I672 HydrophobicContact CG2-CG2 3.63Å; F660-I672 HydrophobicContact CB-CD1 3.33Å; F660-I672 HydrophobicContact CD1-CD1 3.91Å; F660-I672 HydrophobicContact CD1-CG2 3.87Å; F660-I672 HydrophobicContact CD2-CD1 3.61Å; F660-I672 HydrophobicContact CD2-CG2 4.4Å; F660-I672 HydrophobicContact CE1-CG2 3.71Å; F660-I672 HydrophobicContact CE2-CD1 4.38Å; F660-I672 HydrophobicContact CE2-CG2 4.24Å; F660-I672 HydrophobicContact CG-CD1 3.34Å; F660-I672 HydrophobicContact CG-CG2 4.25Å; F660-I672 HydrophobicContact CZ-CG2 3.91Å; I672-R702 HydrophobicContact CD1-CB 4Å; I672-R702 HydrophobicContact CG1-CB 4.05Å; I672-P703 PolarHBondContact N-O 3.21Å; I672-L704 HydrophobicContact CB-CD1 4.26Å; I672-L704 HydrophobicContact CG2-CD1 4.34Å; I672-H705 PolarHBondContact O-N 2.89Å
673	V	98.3	Very high	94.6	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	114.3	-178.7	-170.6	0	0	0	0	108.5	M522 I524 T527 C530 T531 V533 H705	M522-V673 HydrophobicContact CE-CG1 4.36Å; I524-V673 HydrophobicContact CB-CG1 4.32Å; I524-V673 HydrophobicContact CG1-CG1 4.28Å; I524-V673 HydrophobicContact CG2-CB 4.39Å; I524-V673 HydrophobicContact CG2-CG1 4.13Å; T527-V673 HydrophobicContact CG2-CG1 3.92Å; T527-V673 HydrophobicContact CG2-CG2 4.19Å; C530-V673 HydrophobicContact CB-CG2 3.94Å; T531-V673 PolarHBondContact O-N 2.93Å; V533-V673 WeakPolarHBondContact CG2-O 3.36Å; V533-V673 PolarHBondContact N-O 3.47Å; V673-H705 CarbonylContact C-O 3.08Å; V673-H705 WeakPolarHBondContact CA-O 3.32Å; V673-H705 HydrophobicContact CG2-CB 4.18Å
674	T	98.7	Very high	94.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	-172.7	-172.7	-164.4	0	0	0	0	111.5	Q693 L704 H705 F706 C707	T674-Q693 VanDerWaalsContact CG2-OE1 3.23Å; T674-Q693 PolarHBondContact OG1-OE1 3.42Å; T674-L704 HydrophobicContact CG2-CD1 3.53Å; T674-L704 HydrophobicContact CG2-CG 4.17Å; T674-H705 PolarHBondContact N-O 3.45Å; T674-F706 HydrophobicContact CG2-CD2 3.73Å; T674-F706 HydrophobicContact CG2-CE2 4.02Å; T674-F706 CarbonylContact O-C 3.55Å; T674-F706 WeakPolarHBondContact O-CA 3.48Å; T674-C707 WeakPolarHBondContact O-CB 3.37Å; T674-C707 PolarHBondContact O-N 2.89Å
675	G	98.1	Very high	95.4	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.224	C	C	.	.			trans	-164.1	-136.3	172.2	0	0	0	0	0	111.7	W677 Q693 F706 C707	G675-W677 PolarHBondContact O-N 3.46Å; G675-Q693 PolarHBondContact O-NE2 3.35Å; G675-F706 WeakPolarHBondContact O-CE2 3.25Å; G675-F706 WeakPolarHBondContact O-CZ 3.14Å; G675-C707 WeakPolarHBondContact CA-O 3.46Å
676	W	97.7	Very high	96	Very high	15 Å²	15	32.9 Å²	32.9	6%	0.057	19%	0.194	C	C	.	.	S	Bend	trans	-72	55.3	-177.2	-53.7	131	0	0	0	114.9	G678 C679 K686 F690 F706 S708 F709 E711 L714	W676-G678 PolarHBondContact O-N 2.91Å; W676-G678 VanDerWaalsContact O-N 3.16Å; W676-C679 HydrophobicContact CB-CB 3.95Å; W676-C679 WeakPolarHBondContact O-CB 3.11Å; W676-C679 PolarHBondContact O-N 2.89Å; W676-K686 HydrophobicContact CB-CG 4.47Å; W676-K686 HydrophobicContact CD2-CB 4.39Å; W676-K686 HydrophobicContact CD2-CD 3.9Å; W676-K686 HydrophobicContact CD2-CG 3.99Å; W676-K686 HydrophobicContact CE3-CB 3.71Å; W676-K686 HydrophobicContact CE3-CD 4.07Å; W676-K686 HydrophobicContact CE3-CG 3.76Å; W676-K686 HydrophobicContact CG-CD 4.15Å; W676-K686 HydrophobicContact CG-CG 4.29Å; W676-K686 HydrophobicContact CZ3-CB 3.91Å; W676-K686 HydrophobicContact CZ3-CG 4.42Å; W676-F690 HydrophobicContact CZ3-CB 4.33Å; W676-F706 AromaticContact CD2-CE1 3.84Å; W676-F706 HydrophobicContact CD2-CE1 3.84Å; W676-F706 HydrophobicContact CD2-CZ 4.14Å; W676-F706 AromaticContact CE2-CE1 3.96Å; W676-F706 AromaticContact CE3-CE1 3.59Å; W676-F706 HydrophobicContact CE3-CE1 3.59Å; W676-F706 AromaticContact CE3-CZ 3.54Å; W676-F706 HydrophobicContact CE3-CZ 3.54Å; W676-F706 HydrophobicContact CH2-CD1 4.44Å; W676-F706 AromaticContact CH2-CE1 3.55Å; W676-F706 HydrophobicContact CH2-CE1 3.55Å; W676-F706 HydrophobicContact CH2-CZ 4.12Å; W676-F706 AromaticContact CZ2-CE1 3.83Å; W676-F706 HydrophobicContact CZ2-CE1 3.83Å; W676-F706 AromaticContact CZ3-CE1 3.45Å; W676-F706 HydrophobicContact CZ3-CE1 3.45Å; W676-F706 VanDerWaalsContact CZ3-CE1 3.45Å; W676-F706 AromaticContact CZ3-CZ 3.54Å; W676-F706 HydrophobicContact CZ3-CZ 3.54Å; W676-S708 PolarHBondContact NE1-O 3.4Å; W676-F709 AromaticContact CD1-CD2 3.83Å; W676-E711 PolarHBondContact NE1-OE1 2.96Å; W676-L714 HydrophobicContact CH2-CD1 4.5Å; W676-L714 HydrophobicContact CH2-CD2 3.46Å; W676-L714 VanDerWaalsContact CH2-CD2 3.46Å; W676-L714 HydrophobicContact CH2-CG 3.56Å; W676-L714 HydrophobicContact CZ2-CB 4.39Å; W676-L714 HydrophobicContact CZ2-CD2 3.43Å; W676-L714 VanDerWaalsContact CZ2-CD2 3.43Å; W676-L714 HydrophobicContact CZ2-CG 3.74Å; W676-L714 HydrophobicContact CZ3-CD2 4Å; W676-L714 HydrophobicContact CZ3-CG 4.4Å
677	W	98.5	Very high	96.3	Very high	1 Å²	1	25.8 Å²	25.8	0%	0.004	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	112.7	-178.9	173.3	55.1	0	0	0	113.4	F535 I627 D628 A629 E652 K655 A656 G675 C679 K689 I692 Q693	F535-W677 HydrophobicContact CD1-CB 3.82Å; F535-W677 AromaticContact CD1-CD1 3.64Å; F535-W677 HydrophobicContact CD1-CG 4.12Å; F535-W677 HydrophobicContact CE1-CB 3.82Å; F535-W677 HydrophobicContact CG-CB 4.47Å; F535-W677 HydrophobicContact CZ-CB 4.46Å; I627-W677 HydrophobicContact CB-CZ2 4.31Å; I627-W677 HydrophobicContact CD1-CD2 4.21Å; I627-W677 HydrophobicContact CD1-CZ2 4.07Å; I627-W677 HydrophobicContact CG1-CZ2 4.32Å; I627-W677 PolarHBondContact O-NE1 3.23Å; D628-W677 WeakPolarHBondContact O-CZ2 3.11Å; A629-W677 HydrophobicContact CB-CZ2 4.09Å; E652-W677 HydrophobicContact CB-CH2 4.16Å; E652-W677 HydrophobicContact CB-CZ3 4.19Å; K655-W677 HydrophobicContact CB-CH2 4.34Å; K655-W677 HydrophobicContact CG-CH2 4.07Å; K655-W677 HydrophobicContact CG-CZ2 3.9Å; A656-W677 HydrophobicContact CB-CH2 4.26Å; A656-W677 HydrophobicContact CB-CZ3 4.04Å; G675-W677 PolarHBondContact O-N 3.46Å; W677-C679 VanDerWaalsContact C-N 3.26Å; W677-C679 PolarHBondContact O-N 2.86Å; W677-K689 HydrophobicContact CE3-CD 3.76Å; W677-K689 VanDerWaalsContact CE3-NZ 3.33Å; W677-K689 HydrophobicContact CZ3-CD 4.11Å; W677-K689 VanDerWaalsContact CZ3-NZ 3.34Å; W677-K689 VanDerWaalsContact O-CD 3.26Å; W677-K689 WeakPolarHBondContact O-CD 3.13Å; W677-K689 WeakPolarHBondContact O-CE 3.29Å; W677-K689 PolarHBondContact O-NZ 3.16Å; W677-I692 HydrophobicContact CZ3-CG2 4.41Å; W677-Q693 HydrophobicContact CE3-CG 4.19Å
678	G	97.6	Very high	96.5	Very high	10 Å²	10	25.5 Å²	25.5	10%	0.103	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	2	-179.3	0	0	0	0	0	115.4	W676 F682 N683 G684	W676-G678 PolarHBondContact O-N 2.91Å; W676-G678 VanDerWaalsContact O-N 3.16Å; G678-F682 CarbonylContact O-C 3.57Å; G678-F682 VanDerWaalsContact O-CB 3.22Å; G678-F682 WeakPolarHBondContact O-CB 3.4Å; G678-N683 PolarHBondContact O-N 3.48Å; G678-G684 WeakPolarHBondContact O-CA 3.47Å; G678-G684 PolarHBondContact O-N 3.48Å
679	C	97.1	Very high	96.8	Very high	19 Å²	19	23.7 Å²	23.7	13%	0.128	15%	0.151	C	C	.	.	S	Bend	trans	-87	-5	-176.8	-46.5	0	0	0	0	114.5	W676 W677 G684 K686	W676-C679 HydrophobicContact CB-CB 3.95Å; W676-C679 WeakPolarHBondContact O-CB 3.11Å; W676-C679 PolarHBondContact O-N 2.89Å; W677-C679 VanDerWaalsContact C-N 3.26Å; W677-C679 PolarHBondContact O-N 2.86Å; C679-G684 WeakPolarHBondContact CA-O 3.47Å; C679-G684 VanDerWaalsContact CB-O 3.29Å; C679-G684 WeakPolarHBondContact CB-O 3.49Å; C679-K686 HydrophobicContact CB-CG 3.54Å
680	G	93.2	Very high	97.2	Very high	54 Å²	54	18 Å²	18	56%	0.557	12%	0.12	S	C	*	.	S	Bend	trans	-84.3	-120.4	170.2	0	0	0	0	0	111.2	F682 N683	G680-F682 PolarHBondContact O-N 3.07Å; G680-N683 PolarHBondContact O-N 3.35Å
681	A	92.6	Very high	97.3	Very high	76 Å²	76	18 Å²	18	63%	0.628	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-5.2	-178	0	0	0	0	0	116.4	L631	L631-A681 WeakPolarHBondContact CD1-O 3.34Å
682	F	96.8	Very high	97.4	Very high	44 Å²	44	18.1 Å²	18.1	19%	0.193	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	1.1	178.5	-80.6	43	0	0	0	113	A629 L631 F632 G678 G680 G684	A629-F682 HydrophobicContact CB-CD2 3.8Å; A629-F682 HydrophobicContact CB-CE2 4.42Å; A629-F682 WeakPolarHBondContact O-CD2 3.5Å; A629-F682 WeakPolarHBondContact O-CE2 3.45Å; L631-F682 HydrophobicContact CB-CD2 3.97Å; L631-F682 HydrophobicContact CB-CE2 4.34Å; L631-F682 HydrophobicContact CB-CG 4.11Å; L631-F682 HydrophobicContact CD1-CB 4.49Å; L631-F682 HydrophobicContact CD1-CD1 4.49Å; L631-F682 HydrophobicContact CD1-CG 4.43Å; F632-F682 PolarHBondContact N-O 2.86Å; G678-F682 CarbonylContact O-C 3.57Å; G678-F682 VanDerWaalsContact O-CB 3.22Å; G678-F682 WeakPolarHBondContact O-CB 3.4Å; G680-F682 PolarHBondContact O-N 3.07Å; F682-G684 VanDerWaalsContact C-N 3.31Å; F682-G684 PolarHBondContact O-N 3.02Å
683	N	96.9	Very high	97.4	Very high	83 Å²	83	18.1 Å²	18.1	44%	0.444	12%	0.121	S	C	.	.			trans	62	27.5	174	-56.9	-49	0	0	0	115.8	F632 C639 Q643 G678 G680	F632-N683 HydrophobicContact CB-CB 4.33Å; F632-N683 PolarHBondContact O-ND2 2.91Å; C639-N683 HydrophobicContact CB-CB 4.42Å; Q643-N683 PolarHBondContact NE2-O 3.18Å; G678-N683 PolarHBondContact O-N 3.48Å; G680-N683 PolarHBondContact O-N 3.35Å
684	G	97.3	Very high	97.4	Very high	10 Å²	10	18.1 Å²	18.1	10%	0.103	12%	0.12	C	C	.	.			trans	-65.5	137.4	175.9	0	0	0	0	0	114.8	Q643 G678 C679 F682 K686	Q643-G684 VanDerWaalsContact OE1-CA 3.26Å; G678-G684 WeakPolarHBondContact O-CA 3.47Å; G678-G684 PolarHBondContact O-N 3.48Å; C679-G684 WeakPolarHBondContact CA-O 3.47Å; C679-G684 VanDerWaalsContact CB-O 3.29Å; C679-G684 WeakPolarHBondContact CB-O 3.49Å; F682-G684 VanDerWaalsContact C-N 3.31Å; F682-G684 PolarHBondContact O-N 3.02Å; G684-K686 PolarHBondContact O-N 3.42Å
685	D	97.2	Very high	97.2	Very high	13 Å²	13	18.3 Å²	18.3	7%	0.07	12%	0.121	C	C	.	.			trans	-72.3	114.3	171.6	178.8	-70.7	0	0	0	109.7	Q640 P687 L688 K689	Q640-D685 PolarHBondContact NE2-OD2 3.45Å; D685-P687 WeakPolarHBondContact OD1-CD 3.37Å; D685-L688 HydrophobicContact CB-CB 3.98Å; D685-L688 PolarHBondContact O-N 3.13Å; D685-L688 VanDerWaalsContact OD1-CB 3.24Å; D685-L688 WeakPolarHBondContact OD1-CB 2.98Å; D685-L688 PolarHBondContact OD1-N 3.31Å; D685-K689 VanDerWaalsContact O-CB 3.29Å; D685-K689 WeakPolarHBondContact O-CB 3.43Å; D685-K689 WeakPolarHBondContact O-CG 3.36Å; D685-K689 PolarHBondContact O-N 2.99Å
686	K	97.7	Very high	97.1	Very high	46 Å²	46	18.3 Å²	18.3	20%	0.2	12%	0.121	C	C	.	.	H	α-helix	trans	-60.7	-48.9	-173.7	-71.3	176	179.9	170.4	0	113.1	W676 C679 G684 L688 K689 F690 E711 L714	W676-K686 HydrophobicContact CB-CG 4.47Å; W676-K686 HydrophobicContact CD2-CB 4.39Å; W676-K686 HydrophobicContact CD2-CD 3.9Å; W676-K686 HydrophobicContact CD2-CG 3.99Å; W676-K686 HydrophobicContact CE3-CB 3.71Å; W676-K686 HydrophobicContact CE3-CD 4.07Å; W676-K686 HydrophobicContact CE3-CG 3.76Å; W676-K686 HydrophobicContact CG-CD 4.15Å; W676-K686 HydrophobicContact CG-CG 4.29Å; W676-K686 HydrophobicContact CZ3-CB 3.91Å; W676-K686 HydrophobicContact CZ3-CG 4.42Å; C679-K686 HydrophobicContact CB-CG 3.54Å; G684-K686 PolarHBondContact O-N 3.42Å; K686-L688 PolarHBondContact O-N 3.26Å; K686-K689 PolarHBondContact O-N 3.27Å; K686-F690 WeakPolarHBondContact O-CB 3.23Å; K686-F690 PolarHBondContact O-N 3.38Å; K686-E711 IonicContact NZ-OE1 2.73Å; K686-E711 PolarHBondContact NZ-OE1 3.41Å; K686-E711 IonicContact NZ-OE2 2.92Å; K686-E711 PolarHBondContact NZ-OE2 3.34Å; K686-L714 HydrophobicContact CB-CD2 3.98Å; K686-L714 HydrophobicContact CD-CD2 3.51Å; K686-L714 HydrophobicContact CG-CD2 4.38Å
687	P	97.8	Very high	97	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-56	-44.1	173.7	-33.6	43.1	0	0	0	114.5	D685 I691 E750 F751 F754	D685-P687 WeakPolarHBondContact OD1-CD 3.37Å; P687-I691 WeakPolarHBondContact O-CG1 3.48Å; P687-I691 PolarHBondContact O-N 3.02Å; P687-E750 HydrophobicContact CG-CG 4.32Å; P687-E750 WeakPolarHBondContact CG-O 3.47Å; P687-F751 HydrophobicContact CG-CD1 4.16Å; P687-F751 HydrophobicContact CG-CE1 4.35Å; P687-F754 HydrophobicContact CB-CD1 3.76Å; P687-F754 HydrophobicContact CB-CD2 4.36Å; P687-F754 HydrophobicContact CB-CE1 3.57Å; P687-F754 HydrophobicContact CB-CE2 4.19Å; P687-F754 HydrophobicContact CB-CG 4.16Å; P687-F754 HydrophobicContact CB-CZ 3.79Å; P687-F754 HydrophobicContact CG-CE2 4.34Å; P687-F754 HydrophobicContact CG-CZ 4.32Å
688	L	97.9	Very high	96.8	Very high	3 Å²	3	17.6 Å²	17.6	2%	0.016	12%	0.119	C	C	.	.	H	α-helix	trans	-65.7	-48.6	177	-177.2	61.2	0	0	0	111.8	Q643 L644 D685 K686 F690 I691 I692 V753	Q643-L688 HydrophobicContact CB-CD2 3.78Å; L644-L688 HydrophobicContact CD2-CD1 4.15Å; L644-L688 HydrophobicContact CD2-CD2 3.94Å; D685-L688 HydrophobicContact CB-CB 3.98Å; D685-L688 PolarHBondContact O-N 3.13Å; D685-L688 VanDerWaalsContact OD1-CB 3.24Å; D685-L688 WeakPolarHBondContact OD1-CB 2.98Å; D685-L688 PolarHBondContact OD1-N 3.31Å; K686-L688 PolarHBondContact O-N 3.26Å; L688-F690 VanDerWaalsContact C-N 3.29Å; L688-F690 PolarHBondContact O-N 3.18Å; L688-I691 PolarHBondContact O-N 3.36Å; L688-I691 VanDerWaalsContact O-N 3.16Å; L688-I692 HydrophobicContact CD1-CD1 4.07Å; L688-I692 HydrophobicContact CD1-CG1 4.34Å; L688-I692 HydrophobicContact CD2-CD1 4.42Å; L688-I692 HydrophobicContact CG-CD1 3.81Å; L688-I692 HydrophobicContact CG-CG1 4.44Å; L688-I692 WeakPolarHBondContact O-CG1 3.24Å; L688-I692 PolarHBondContact O-N 3.3Å; L688-V753 HydrophobicContact CB-CG2 4.06Å; L688-V753 HydrophobicContact CD1-CG1 4.38Å; L688-V753 HydrophobicContact CD1-CG2 4.17Å
689	K	98.4	Very high	96.5	Very high	3 Å²	3	17.3 Å²	17.3	1%	0.013	12%	0.116	C	C	.	.	H	α-helix	trans	-63.5	-32.5	179.7	-79.6	-74.8	-168.4	156.2	0	112.8	A629 E652 W677 D685 K686 Q693	A629-K689 VanDerWaalsContact CB-NZ 3.33Å; E652-K689 WeakPolarHBondContact OE1-CE 3.49Å; E652-K689 IonicContact OE1-NZ 3.78Å; E652-K689 PolarHBondContact OE1-NZ 3.19Å; W677-K689 HydrophobicContact CE3-CD 3.76Å; W677-K689 VanDerWaalsContact CE3-NZ 3.33Å; W677-K689 HydrophobicContact CZ3-CD 4.11Å; W677-K689 VanDerWaalsContact CZ3-NZ 3.34Å; W677-K689 VanDerWaalsContact O-CD 3.26Å; W677-K689 WeakPolarHBondContact O-CD 3.13Å; W677-K689 WeakPolarHBondContact O-CE 3.29Å; W677-K689 PolarHBondContact O-NZ 3.16Å; D685-K689 VanDerWaalsContact O-CB 3.29Å; D685-K689 WeakPolarHBondContact O-CB 3.43Å; D685-K689 WeakPolarHBondContact O-CG 3.36Å; D685-K689 PolarHBondContact O-N 2.99Å; K686-K689 PolarHBondContact O-N 3.27Å; K689-Q693 VanDerWaalsContact O-CG 3.31Å; K689-Q693 WeakPolarHBondContact O-CG 3.49Å; K689-Q693 PolarHBondContact O-N 2.84Å; K689-Q693 PolarHBondContact O-NE2 3.18Å
690	F	98.7	Very high	96.2	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-62.4	-53.8	169.2	171.5	-113.5	0	0	0	111.3	V516 F518 W676 K686 L688 I692 Q693 V694 F706 C718 I722 F754	V516-F690 HydrophobicContact CG1-CE2 4.01Å; V516-F690 HydrophobicContact CG1-CZ 4.12Å; F518-F690 AromaticContact CE2-CE2 3.57Å; F518-F690 HydrophobicContact CE2-CE2 3.57Å; F518-F690 AromaticContact CE2-CZ 3.69Å; F518-F690 HydrophobicContact CE2-CZ 3.69Å; F518-F690 AromaticContact CZ-CD2 3.89Å; F518-F690 HydrophobicContact CZ-CD2 3.89Å; F518-F690 AromaticContact CZ-CE2 3.35Å; F518-F690 HydrophobicContact CZ-CE2 3.35Å; F518-F690 AromaticContact CZ-CZ 3.76Å; F518-F690 HydrophobicContact CZ-CZ 3.76Å; W676-F690 HydrophobicContact CZ3-CB 4.33Å; K686-F690 WeakPolarHBondContact O-CB 3.23Å; K686-F690 PolarHBondContact O-N 3.38Å; L688-F690 VanDerWaalsContact C-N 3.29Å; L688-F690 PolarHBondContact O-N 3.18Å; F690-I692 VanDerWaalsContact C-N 3.33Å; F690-I692 PolarHBondContact O-N 3.08Å; F690-Q693 PolarHBondContact O-N 2.8Å; F690-Q693 VanDerWaalsContact O-N 3.11Å; F690-V694 HydrophobicContact CD2-CG2 4.1Å; F690-V694 HydrophobicContact CE1-CG2 4.11Å; F690-V694 HydrophobicContact CE2-CG2 3.63Å; F690-V694 HydrophobicContact CZ-CG2 3.64Å; F690-V694 WeakPolarHBondContact O-CG2 3.39Å; F690-V694 PolarHBondContact O-N 3.29Å; F690-F706 AromaticContact CD2-CD2 3.84Å; F690-F706 HydrophobicContact CD2-CD2 3.84Å; F690-F706 AromaticContact CD2-CE2 3.67Å; F690-F706 HydrophobicContact CD2-CE2 3.67Å; F690-F706 HydrophobicContact CD2-CG 4.38Å; F690-F706 HydrophobicContact CD2-CZ 4.07Å; F690-F706 HydrophobicContact CE2-CD2 4.17Å; F690-F706 HydrophobicContact CE2-CE2 4.45Å; F690-F706 HydrophobicContact CE2-CG 4.5Å; F690-C718 HydrophobicContact CD1-CB 4.07Å; F690-C718 HydrophobicContact CE1-CB 3.72Å; F690-C718 HydrophobicContact CE2-CB 4.4Å; F690-C718 HydrophobicContact CZ-CB 3.91Å; F690-I722 HydrophobicContact CE1-CD1 4.01Å; F690-I722 HydrophobicContact CE1-CG1 3.88Å; F690-I722 HydrophobicContact CZ-CD1 3.84Å; F690-I722 HydrophobicContact CZ-CG1 3.64Å; F690-F754 HydrophobicContact CD1-CE1 4.15Å; F690-F754 AromaticContact CD1-CZ 3.92Å; F690-F754 HydrophobicContact CD1-CZ 3.92Å
691	I	98.4	Very high	96.2	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-63.8	-37	-178.3	-61.6	-66.2	0	0	0	112.2	P687 L688 Q693 V694 I695 M725 L735 I739 F754 I757	P687-I691 WeakPolarHBondContact O-CG1 3.48Å; P687-I691 PolarHBondContact O-N 3.02Å; L688-I691 PolarHBondContact O-N 3.36Å; L688-I691 VanDerWaalsContact O-N 3.16Å; I691-Q693 VanDerWaalsContact C-N 3.34Å; I691-Q693 PolarHBondContact O-N 2.84Å; I691-V694 PolarHBondContact O-N 2.87Å; I691-I695 HydrophobicContact CG2-CD1 4.17Å; I691-I695 WeakPolarHBondContact O-CG1 3.25Å; I691-I695 PolarHBondContact O-N 2.89Å; I691-M725 HydrophobicContact CD1-CE 3.99Å; I691-L735 HydrophobicContact CG2-CD1 3.68Å; I691-L735 HydrophobicContact CG2-CD2 4.06Å; I691-L735 HydrophobicContact CG2-CG 3.85Å; I691-I739 HydrophobicContact CB-CG2 4.39Å; I691-I739 HydrophobicContact CG2-CD1 4.4Å; I691-I739 HydrophobicContact CG2-CG2 3.56Å; I691-F754 HydrophobicContact CD1-CE1 4.13Å; I691-F754 HydrophobicContact CG1-CD1 4.47Å; I691-F754 HydrophobicContact CG1-CE1 3.91Å; I691-I757 HydrophobicContact CD1-CD1 4.15Å; I691-I757 HydrophobicContact CG1-CD1 4.01Å; I691-I757 HydrophobicContact CG2-CD1 4.38Å
692	I	97.9	Very high	96.3	Very high	3 Å²	3	14.2 Å²	14.2	2%	0.015	8%	0.076	C	C	.	.	H	α-helix	trans	-59.7	-43.6	173.6	-72.9	172.2	0	0	0	111.1	I649 E652 M653 W677 L688 F690 I695 A696 I739	I649-I692 HydrophobicContact CG2-CD1 4.47Å; E652-I692 HydrophobicContact CB-CD1 4.15Å; E652-I692 HydrophobicContact CB-CG2 4.21Å; M653-I692 HydrophobicContact CB-CG2 4.13Å; W677-I692 HydrophobicContact CZ3-CG2 4.41Å; L688-I692 HydrophobicContact CD1-CD1 4.07Å; L688-I692 HydrophobicContact CD1-CG1 4.34Å; L688-I692 HydrophobicContact CD2-CD1 4.42Å; L688-I692 HydrophobicContact CG-CD1 3.81Å; L688-I692 HydrophobicContact CG-CG1 4.44Å; L688-I692 WeakPolarHBondContact O-CG1 3.24Å; L688-I692 PolarHBondContact O-N 3.3Å; F690-I692 VanDerWaalsContact C-N 3.33Å; F690-I692 PolarHBondContact O-N 3.08Å; I692-I695 PolarHBondContact O-N 3.24Å; I692-A696 WeakPolarHBondContact O-CB 3.31Å; I692-A696 PolarHBondContact O-N 3.3Å; I692-I739 HydrophobicContact CG1-CD1 4.14Å
693	Q	98.6	Very high	96.3	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-69.7	-35.3	177.1	-71.3	178.9	96	0	0	112.5	F660 T674 G675 W677 K689 F690 I691 A696 A697 L704	F660-Q693 HydrophobicContact CE2-CB 4.28Å; F660-Q693 HydrophobicContact CE2-CG 4.47Å; F660-Q693 HydrophobicContact CZ-CB 4.43Å; F660-Q693 HydrophobicContact CZ-CG 4.2Å; T674-Q693 VanDerWaalsContact CG2-OE1 3.23Å; T674-Q693 PolarHBondContact OG1-OE1 3.42Å; G675-Q693 PolarHBondContact O-NE2 3.35Å; W677-Q693 HydrophobicContact CE3-CG 4.19Å; K689-Q693 VanDerWaalsContact O-CG 3.31Å; K689-Q693 WeakPolarHBondContact O-CG 3.49Å; K689-Q693 PolarHBondContact O-N 2.84Å; K689-Q693 PolarHBondContact O-NE2 3.18Å; F690-Q693 PolarHBondContact O-N 2.8Å; F690-Q693 VanDerWaalsContact O-N 3.11Å; I691-Q693 VanDerWaalsContact C-N 3.34Å; I691-Q693 PolarHBondContact O-N 2.84Å; Q693-A696 PolarHBondContact O-N 2.9Å; Q693-A697 VanDerWaalsContact O-CB 3.29Å; Q693-A697 WeakPolarHBondContact O-CB 3.19Å; Q693-A697 PolarHBondContact O-N 3.47Å; Q693-L704 HydrophobicContact CB-CD2 4.1Å
694	V	98.1	Very high	96.3	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-62.8	-41.4	173	172.1	0	0	0	0	111.6	P514 V516 F690 I691 G698 L704 I722 L735	P514-V694 HydrophobicContact CG-CG1 4.19Å; P514-V694 WeakPolarHBondContact CG-O 3.31Å; V516-V694 HydrophobicContact CG2-CG1 4.42Å; V516-V694 HydrophobicContact CG2-CG2 4.19Å; F690-V694 HydrophobicContact CD2-CG2 4.1Å; F690-V694 HydrophobicContact CE1-CG2 4.11Å; F690-V694 HydrophobicContact CE2-CG2 3.63Å; F690-V694 HydrophobicContact CZ-CG2 3.64Å; F690-V694 WeakPolarHBondContact O-CG2 3.39Å; F690-V694 PolarHBondContact O-N 3.29Å; I691-V694 PolarHBondContact O-N 2.87Å; V694-G698 PolarHBondContact O-N 3.33Å; V694-G698 VanDerWaalsContact O-N 3.14Å; V694-L704 HydrophobicContact CG2-CD2 3.75Å; V694-I722 HydrophobicContact CG1-CD1 3.91Å; V694-I722 HydrophobicContact CG2-CD1 4.01Å; V694-L735 HydrophobicContact CG1-CD2 4.24Å
695	I	95.6	Very high	96.3	Very high	4 Å²	4	9.1 Å²	9.1	2%	0.021	5%	0.049	C	C	.	.	H	α-helix	trans	-63.6	-50	173.4	-66.9	166.1	0	0	0	110.1	M653 I691 I692 A697 G698 V699 L735 F736 I739	M653-I695 HydrophobicContact CG-CB 4.42Å; M653-I695 HydrophobicContact CG-CG2 3.83Å; M653-I695 HydrophobicContact SD-CG2 4.09Å; I691-I695 HydrophobicContact CG2-CD1 4.17Å; I691-I695 WeakPolarHBondContact O-CG1 3.25Å; I691-I695 PolarHBondContact O-N 2.89Å; I692-I695 PolarHBondContact O-N 3.24Å; I695-A697 VanDerWaalsContact C-N 3.31Å; I695-A697 PolarHBondContact O-N 2.85Å; I695-G698 PolarHBondContact O-N 3.49Å; I695-V699 HydrophobicContact CG2-CG2 4.29Å; I695-V699 WeakPolarHBondContact O-CG2 3.47Å; I695-V699 PolarHBondContact O-N 2.68Å; I695-L735 HydrophobicContact CD1-CG 4.15Å; I695-L735 HydrophobicContact CG1-CD2 4.05Å; I695-L735 HydrophobicContact CG1-CG 4.02Å; I695-F736 HydrophobicContact CD1-CB 4.22Å; I695-I739 HydrophobicContact CD1-CD1 3.43Å; I695-I739 VanDerWaalsContact CD1-CD1 3.43Å; I695-I739 HydrophobicContact CD1-CG1 4.1Å
696	A	95.3	Very high	96.4	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-59.6	-38.9	-179.3	0	0	0	0	0	112.9	A656 S657 F660 I692 Q693 V699 A700	A656-A696 HydrophobicContact CB-CB 3.64Å; S657-A696 WeakPolarHBondContact OG-CA 3.31Å; F660-A696 HydrophobicContact CD2-CB 3.59Å; F660-A696 HydrophobicContact CE2-CB 3.8Å; F660-A696 HydrophobicContact CG-CB 4.48Å; I692-A696 WeakPolarHBondContact O-CB 3.31Å; I692-A696 PolarHBondContact O-N 3.3Å; Q693-A696 PolarHBondContact O-N 2.9Å; A696-V699 PolarHBondContact O-N 3.16Å; A696-A700 WeakPolarHBondContact O-CB 3.37Å; A696-A700 PolarHBondContact O-N 3.06Å
697	A	96.4	Very high	96.3	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-68.7	-40.1	177.8	0	0	0	0	0	112	P514 F660 Q693 I695 A700 D701 R702 L704	P514-A697 HydrophobicContact CG-CB 4.2Å; F660-A697 HydrophobicContact CD2-CB 4.24Å; F660-A697 HydrophobicContact CE2-CB 4.4Å; Q693-A697 VanDerWaalsContact O-CB 3.29Å; Q693-A697 WeakPolarHBondContact O-CB 3.19Å; Q693-A697 PolarHBondContact O-N 3.47Å; I695-A697 VanDerWaalsContact C-N 3.31Å; I695-A697 PolarHBondContact O-N 2.85Å; A697-A700 CarbonylContact O-C 3.55Å; A697-A700 PolarHBondContact O-N 2.89Å; A697-D701 PolarHBondContact O-N 2.88Å; A697-R702 PolarHBondContact O-N 2.92Å; A697-L704 HydrophobicContact CB-CB 4.04Å; A697-L704 HydrophobicContact CB-CD1 4.08Å; A697-L704 HydrophobicContact CB-CG 4.45Å
698	G	93.7	Very high	96.2	Very high	1 Å²	1	6.3 Å²	6.3	1%	0.01	4%	0.036	C	C	.	.	H	α-helix	trans	-67.1	-34.1	171.9	0	0	0	0	0	113.8	R511 V694 I695 A700 D701	R511-G698 WeakPolarHBondContact CD-O 3.32Å; R511-G698 PolarHBondContact NH1-O 3.3Å; V694-G698 PolarHBondContact O-N 3.33Å; V694-G698 VanDerWaalsContact O-N 3.14Å; I695-G698 PolarHBondContact O-N 3.49Å; G698-A700 VanDerWaalsContact C-N 3.33Å; G698-D701 PolarHBondContact O-N 3.29Å
699	V	90.4	Very high	95.9	Very high	5 Å²	5	9.7 Å²	9.7	3%	0.03	5%	0.051	C	C	.	.	H	α-helix	trans	-65.3	-37.7	171.9	166.9	0	0	0	0	111	K508 M661 I695 A696 D701	K508-V699 HydrophobicContact CD-CG1 4.34Å; K508-V699 WeakPolarHBondContact CE-O 3.39Å; K508-V699 PolarHBondContact NZ-O 2.95Å; M661-V699 HydrophobicContact CE-CG1 4.28Å; M661-V699 HydrophobicContact SD-CG1 3.8Å; I695-V699 HydrophobicContact CG2-CG2 4.29Å; I695-V699 WeakPolarHBondContact O-CG2 3.47Å; I695-V699 PolarHBondContact O-N 2.68Å; A696-V699 PolarHBondContact O-N 3.16Å; V699-D701 VanDerWaalsContact C-N 3.34Å
700	A	91.4	Very high	95.4	Very high	16 Å²	16	12 Å²	12	13%	0.132	8%	0.075	C	C	.	.	H	α-helix	trans	-79.6	-11	174.9	0	0	0	0	0	115	F660 M661 A696 A697 G698 R702	F660-A700 HydrophobicContact CB-CB 3.72Å; M661-A700 HydrophobicContact CG-CB 3.64Å; A696-A700 WeakPolarHBondContact O-CB 3.37Å; A696-A700 PolarHBondContact O-N 3.06Å; A697-A700 CarbonylContact O-C 3.55Å; A697-A700 PolarHBondContact O-N 2.89Å; G698-A700 VanDerWaalsContact C-N 3.33Å; A700-R702 HydrophobicContact CB-CG 4.4Å
701	D	92.4	Very high	95.1	Very high	63 Å²	63	14.6 Å²	14.6	34%	0.337	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.2	37.9	-175.4	-155.5	1.9	0	0	0	115.2	R511 T668 A697 G698 V699	R511-D701 IonicContact CZ-OD1 2.68Å; R511-D701 IonicContact CZ-OD2 3.66Å; R511-D701 VanDerWaalsContact CZ-OD2 3.3Å; R511-D701 IonicContact NE-OD1 3.7Å; R511-D701 VanDerWaalsContact NH1-CB 3.29Å; R511-D701 IonicContact NH1-OD1 3.32Å; R511-D701 PolarHBondContact NH1-OD1 2.82Å; R511-D701 IonicContact NH1-OD2 2.81Å; R511-D701 PolarHBondContact NH1-OD2 3.05Å; R511-D701 IonicContact NH2-OD1 2.87Å; R511-D701 PolarHBondContact NH2-OD1 3.17Å; R511-D701 IonicContact NH2-OD2 3.52Å; R511-D701 PolarHBondContact NH2-OD2 3.11Å; T668-D701 WeakPolarHBondContact CA-O 3.44Å; T668-D701 WeakPolarHBondContact CB-O 3.39Å; T668-D701 HydrophobicContact CG2-CB 4.06Å; A697-D701 PolarHBondContact O-N 2.88Å; G698-D701 PolarHBondContact O-N 3.29Å; V699-D701 VanDerWaalsContact C-N 3.34Å
702	R	95.4	Very high	94.8	Very high	5 Å²	5	18.1 Å²	18.1	2%	0.019	11%	0.11	C	C	.	.			trans	-132.6	143	-169.9	-62.6	178.1	64.7	-169.1	0.8	112.6	T531 F660 F667 I670 P671 I672 A697 A700	T531-R702 PolarHBondContact OG1-NH1 3.26Å; T531-R702 PolarHBondContact OG1-NH2 3.2Å; F660-R702 PolarHBondContact O-NH1 2.89Å; F660-R702 VanDerWaalsContact O-NH1 3.12Å; F667-R702 PolarHBondContact O-NE 3.41Å; I670-R702 PolarHBondContact O-NE 3.02Å; I670-R702 PolarHBondContact O-NH2 2.95Å; P671-R702 PolarHBondContact O-NH2 3.19Å; I672-R702 HydrophobicContact CD1-CB 4Å; I672-R702 HydrophobicContact CG1-CB 4.05Å; A697-R702 PolarHBondContact O-N 2.92Å; A700-R702 HydrophobicContact CB-CG 4.4Å
703	P	96.8	Very high	94.6	Very high	17 Å²	17	24.9 Å²	24.9	11%	0.11	14%	0.142	C	C	.	.			trans	-57.2	143.7	168.7	-26	32.3	0	0	0	112.4	E515 T668 P671 I672	E515-P703 HydrophobicContact CB-CB 4.1Å; E515-P703 HydrophobicContact CB-CG 4.3Å; E515-P703 WeakPolarHBondContact O-CA 3.21Å; T668-P703 WeakPolarHBondContact O-CD 2.98Å; P671-P703 WeakPolarHBondContact CA-O 3.39Å; P671-P703 HydrophobicContact CB-CB 4.18Å; I672-P703 PolarHBondContact N-O 3.21Å
704	L	98	Very high	94.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	111.6	175.8	-167.7	64.8	0	0	0	109.6	E515 V516 E517 F660 I672 T674 Q693 V694 A697 F706	E515-L704 PolarHBondContact O-N 3.03Å; V516-L704 WeakPolarHBondContact CA-O 3.38Å; V516-L704 HydrophobicContact CG1-CB 4.44Å; V516-L704 HydrophobicContact CG2-CB 4.31Å; E517-L704 PolarHBondContact N-O 3.08Å; F660-L704 HydrophobicContact CE2-CD1 4.27Å; I672-L704 HydrophobicContact CB-CD1 4.26Å; I672-L704 HydrophobicContact CG2-CD1 4.34Å; T674-L704 HydrophobicContact CG2-CD1 3.53Å; T674-L704 HydrophobicContact CG2-CG 4.17Å; Q693-L704 HydrophobicContact CB-CD2 4.1Å; V694-L704 HydrophobicContact CG2-CD2 3.75Å; A697-L704 HydrophobicContact CB-CB 4.04Å; A697-L704 HydrophobicContact CB-CD1 4.08Å; A697-L704 HydrophobicContact CB-CG 4.45Å; L704-F706 HydrophobicContact CD2-CD2 4.23Å; L704-F706 HydrophobicContact CG-CD2 4.44Å
705	H	97.3	Very high	94.3	Very high	13 Å²	13	25.3 Å²	25.3	6%	0.06	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	113.9	175.3	-74.8	-145.8	0	0	0	107.5	E517 F519 P671 I672 V673 T674	E517-H705 WeakPolarHBondContact O-CA 3.29Å; E517-H705 IonicContact OE2-CE1 2.71Å; F519-H705 HydrophobicContact CD2-CB 4.2Å; F519-H705 HydrophobicContact CE2-CB 3.69Å; F519-H705 AromaticContact CE2-CG 3.62Å; F519-H705 AromaticContact CE2-ND1 3.41Å; F519-H705 WeakPolarHBondContact CE2-ND1 3.08Å; F519-H705 AromaticContact CZ-ND1 3.54Å; P671-H705 HydrophobicContact CB-CB 4.32Å; P671-H705 WeakPolarHBondContact CB-CD2 3.4Å; P671-H705 WeakPolarHBondContact CB-NE2 3.48Å; I672-H705 PolarHBondContact O-N 2.89Å; V673-H705 CarbonylContact C-O 3.08Å; V673-H705 WeakPolarHBondContact CA-O 3.32Å; V673-H705 HydrophobicContact CG2-CB 4.18Å; T674-H705 PolarHBondContact N-O 3.45Å
706	F	97.8	Very high	94.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	105.3	-165.9	-155.7	-78	0	0	0	111.6	E517 F518 F519 T674 G675 W676 F690 L704 S708	E517-F706 PolarHBondContact O-N 2.81Å; F518-F706 WeakPolarHBondContact CA-O 3.06Å; F518-F706 HydrophobicContact CD1-CB 3.93Å; F518-F706 AromaticContact CD1-CD1 3.91Å; F518-F706 HydrophobicContact CD1-CD1 3.91Å; F518-F706 HydrophobicContact CD1-CG 4.28Å; F518-F706 HydrophobicContact CD2-CB 4.42Å; F518-F706 HydrophobicContact CE1-CB 3.87Å; F518-F706 AromaticContact CE1-CD1 3.31Å; F518-F706 HydrophobicContact CE1-CD1 3.31Å; F518-F706 HydrophobicContact CE1-CE1 4.05Å; F518-F706 AromaticContact CE1-CG 3.76Å; F518-F706 HydrophobicContact CE1-CG 3.76Å; F518-F706 HydrophobicContact CE2-CB 4.36Å; F518-F706 HydrophobicContact CG-CB 4.21Å; F518-F706 HydrophobicContact CZ-CB 4.07Å; F518-F706 AromaticContact CZ-CD1 3.92Å; F518-F706 HydrophobicContact CZ-CD1 3.92Å; F518-F706 AromaticContact CZ-CG 3.98Å; F518-F706 HydrophobicContact CZ-CG 3.98Å; F519-F706 PolarHBondContact N-O 2.66Å; T674-F706 HydrophobicContact CG2-CD2 3.73Å; T674-F706 HydrophobicContact CG2-CE2 4.02Å; T674-F706 CarbonylContact O-C 3.55Å; T674-F706 WeakPolarHBondContact O-CA 3.48Å; G675-F706 WeakPolarHBondContact O-CE2 3.25Å; G675-F706 WeakPolarHBondContact O-CZ 3.14Å; W676-F706 AromaticContact CD2-CE1 3.84Å; W676-F706 HydrophobicContact CD2-CE1 3.84Å; W676-F706 HydrophobicContact CD2-CZ 4.14Å; W676-F706 AromaticContact CE2-CE1 3.96Å; W676-F706 AromaticContact CE3-CE1 3.59Å; W676-F706 HydrophobicContact CE3-CE1 3.59Å; W676-F706 AromaticContact CE3-CZ 3.54Å; W676-F706 HydrophobicContact CE3-CZ 3.54Å; W676-F706 HydrophobicContact CH2-CD1 4.44Å; W676-F706 AromaticContact CH2-CE1 3.55Å; W676-F706 HydrophobicContact CH2-CE1 3.55Å; W676-F706 HydrophobicContact CH2-CZ 4.12Å; W676-F706 AromaticContact CZ2-CE1 3.83Å; W676-F706 HydrophobicContact CZ2-CE1 3.83Å; W676-F706 AromaticContact CZ3-CE1 3.45Å; W676-F706 HydrophobicContact CZ3-CE1 3.45Å; W676-F706 VanDerWaalsContact CZ3-CE1 3.45Å; W676-F706 AromaticContact CZ3-CZ 3.54Å; W676-F706 HydrophobicContact CZ3-CZ 3.54Å; F690-F706 AromaticContact CD2-CD2 3.84Å; F690-F706 HydrophobicContact CD2-CD2 3.84Å; F690-F706 AromaticContact CD2-CE2 3.67Å; F690-F706 HydrophobicContact CD2-CE2 3.67Å; F690-F706 HydrophobicContact CD2-CG 4.38Å; F690-F706 HydrophobicContact CD2-CZ 4.07Å; F690-F706 HydrophobicContact CE2-CD2 4.17Å; F690-F706 HydrophobicContact CE2-CE2 4.45Å; F690-F706 HydrophobicContact CE2-CG 4.5Å; L704-F706 HydrophobicContact CD2-CD2 4.23Å; L704-F706 HydrophobicContact CG-CD2 4.44Å; F706-S708 PolarHBondContact O-N 2.89Å
707	C	96.4	Very high	94.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	116.4	170.3	-62.1	0	0	0	0	109.2	F519 M522 I524 T674 G675 F709	F519-C707 WeakPolarHBondContact O-CA 3.28Å; M522-C707 WeakPolarHBondContact O-CB 3.47Å; M522-C707 PolarHBondContact O-SG 2.86Å; I524-C707 HydrophobicContact CG1-CB 4.27Å; T674-C707 WeakPolarHBondContact O-CB 3.37Å; T674-C707 PolarHBondContact O-N 2.89Å; G675-C707 WeakPolarHBondContact CA-O 3.46Å; C707-F709 HydrophobicContact CB-CD1 4.26Å; C707-F709 HydrophobicContact CB-CE1 3.82Å; C707-F709 HydrophobicContact CB-CE2 4.24Å; C707-F709 HydrophobicContact CB-CZ 3.82Å
708	S	94.4	Very high	94.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.181	C	C	.	.			trans	-87.4	-8.7	179	82.9	0	0	0	0	113.7	F519 D520 W676 F706 G710 E711	F519-S708 PolarHBondContact O-N 3.37Å; D520-S708 WeakPolarHBondContact CA-OG 3.46Å; D520-S708 WeakPolarHBondContact OD1-CB 3.4Å; D520-S708 PolarHBondContact OD1-OG 2.73Å; W676-S708 PolarHBondContact NE1-O 3.4Å; F706-S708 PolarHBondContact O-N 2.89Å; S708-G710 PolarHBondContact O-N 3.44Å; S708-E711 WeakPolarHBondContact O-CB 3.37Å; S708-E711 PolarHBondContact O-N 2.81Å; S708-E711 PolarHBondContact OG-N 3.3Å
709	F	91.8	Very high	94.7	Very high	74 Å²	74	34.8 Å²	34.8	33%	0.325	20%	0.195	S	C	.	.	S	Bend	trans	54.1	46	178.4	-54.4	-64.8	0	0	0	113.6	L523 I524 F535 W676 C707	L523-F709 HydrophobicContact CD2-CD1 3.94Å; L523-F709 HydrophobicContact CD2-CE1 4.09Å; I524-F709 HydrophobicContact CD1-CZ 3.88Å; I524-F709 HydrophobicContact CG1-CE1 4.5Å; I524-F709 HydrophobicContact CG1-CZ 4.03Å; F535-F709 HydrophobicContact CE2-CE2 4.08Å; F535-F709 HydrophobicContact CE2-CZ 4.38Å; F535-F709 HydrophobicContact CZ-CE2 4.22Å; F535-F709 HydrophobicContact CZ-CZ 4.44Å; W676-F709 AromaticContact CD1-CD2 3.83Å; C707-F709 HydrophobicContact CB-CD1 4.26Å; C707-F709 HydrophobicContact CB-CE1 3.82Å; C707-F709 HydrophobicContact CB-CE2 4.24Å; C707-F709 HydrophobicContact CB-CZ 3.82Å
710	G	88.8	Confident	95	Very high	50 Å²	50	41.8 Å²	41.8	52%	0.515	23%	0.225	S	C	.	.	S	Bend	trans	81.9	19.6	179.9	0	0	0	0	0	115	D520 S708 P712	D520-G710 PolarHBondContact O-N 2.73Å; S708-G710 PolarHBondContact O-N 3.44Å; G710-P712 WeakPolarHBondContact O-CD 3.41Å
711	E	92.9	Very high	95.3	Very high	55 Å²	55	41.5 Å²	41.5	26%	0.257	22%	0.221	S	C	.	.			trans	-111.1	60.2	179	-59.8	-175.4	-139.3	0	0	113.2	W676 K686 S708 E713 L714 A715	W676-E711 PolarHBondContact NE1-OE1 2.96Å; K686-E711 IonicContact NZ-OE1 2.73Å; K686-E711 PolarHBondContact NZ-OE1 3.41Å; K686-E711 IonicContact NZ-OE2 2.92Å; K686-E711 PolarHBondContact NZ-OE2 3.34Å; S708-E711 WeakPolarHBondContact O-CB 3.37Å; S708-E711 PolarHBondContact O-N 2.81Å; S708-E711 PolarHBondContact OG-N 3.3Å; E711-E713 VanDerWaalsContact C-N 3.3Å; E711-E713 PolarHBondContact O-N 3.32Å; E711-L714 HydrophobicContact CB-CB 4.21Å; E711-L714 PolarHBondContact O-N 2.68Å; E711-L714 VanDerWaalsContact O-N 3.11Å; E711-L714 WeakPolarHBondContact OE2-CD2 3.27Å; E711-A715 PolarHBondContact O-N 2.72Å
712	P	91.3	Very high	95.5	Very high	75 Å²	75	39 Å²	39	49%	0.487	21%	0.207	S	C	.	.	H	α-helix	trans	-65.3	-27.9	-170.9	27.8	-36.4	0	0	0	113.7	G710 A716	G710-P712 WeakPolarHBondContact O-CD 3.41Å; P712-A716 VanDerWaalsContact O-CB 3.29Å; P712-A716 WeakPolarHBondContact O-CB 3.35Å; P712-A716 PolarHBondContact O-N 3.39Å
713	E	94.3	Very high	95.6	Very high	144 Å²	144	43.8 Å²	43.8	67%	0.673	23%	0.23	S	C	*	.	H	α-helix	trans	-66.1	-41.8	173.6	-73.7	-164.1	-163.8	0	0	112.5	E711 A716 K717	E711-E713 VanDerWaalsContact C-N 3.3Å; E711-E713 PolarHBondContact O-N 3.32Å; E713-A716 PolarHBondContact O-N 3.44Å; E713-K717 WeakPolarHBondContact O-CG 3.22Å; E713-K717 PolarHBondContact O-N 2.94Å; E713-K717 VanDerWaalsContact O-N 3.1Å; E713-K717 IonicContact OE2-NZ 3.7Å
714	L	95.1	Very high	95.6	Very high	9 Å²	9	46 Å²	46	5%	0.047	24%	0.236	C	C	.	.	H	α-helix	trans	-70.6	-41.9	177.3	178.1	57	0	0	0	109.8	W676 K686 E711 A716 K717 C718 F751	W676-L714 HydrophobicContact CH2-CD1 4.5Å; W676-L714 HydrophobicContact CH2-CD2 3.46Å; W676-L714 VanDerWaalsContact CH2-CD2 3.46Å; W676-L714 HydrophobicContact CH2-CG 3.56Å; W676-L714 HydrophobicContact CZ2-CB 4.39Å; W676-L714 HydrophobicContact CZ2-CD2 3.43Å; W676-L714 VanDerWaalsContact CZ2-CD2 3.43Å; W676-L714 HydrophobicContact CZ2-CG 3.74Å; W676-L714 HydrophobicContact CZ3-CD2 4Å; W676-L714 HydrophobicContact CZ3-CG 4.4Å; K686-L714 HydrophobicContact CB-CD2 3.98Å; K686-L714 HydrophobicContact CD-CD2 3.51Å; K686-L714 HydrophobicContact CG-CD2 4.38Å; E711-L714 HydrophobicContact CB-CB 4.21Å; E711-L714 PolarHBondContact O-N 2.68Å; E711-L714 VanDerWaalsContact O-N 3.11Å; E711-L714 WeakPolarHBondContact OE2-CD2 3.27Å; L714-A716 VanDerWaalsContact C-N 3.32Å; L714-A716 PolarHBondContact O-N 3.45Å; L714-K717 PolarHBondContact O-N 3.44Å; L714-C718 PolarHBondContact O-N 3.33Å; L714-C718 PolarHBondContact O-SG 3.45Å; L714-F751 HydrophobicContact CD1-CE1 3.57Å; L714-F751 HydrophobicContact CD1-CZ 4.07Å
715	A	95.1	Very high	95.6	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-57.6	-42.1	171.3	0	0	0	0	0	112.1	F518 D520 E711 K717 C718 K719	F518-A715 HydrophobicContact CD1-CB 3.62Å; F518-A715 HydrophobicContact CE1-CB 3.99Å; F518-A715 HydrophobicContact CG-CB 4.33Å; D520-A715 WeakPolarHBondContact OD1-CB 3.32Å; E711-A715 PolarHBondContact O-N 2.72Å; A715-K717 PolarHBondContact O-N 2.78Å; A715-C718 WeakPolarHBondContact O-CB 3.4Å; A715-C718 PolarHBondContact O-N 3.32Å; A715-K719 WeakPolarHBondContact O-CB 3.45Å; A715-K719 WeakPolarHBondContact O-CD 3.49Å; A715-K719 WeakPolarHBondContact O-CG 3.28Å; A715-K719 PolarHBondContact O-N 3.47Å
716	A	96.3	Very high	95.5	Very high	53 Å²	53	50 Å²	50	44%	0.438	25%	0.253	S	S	.	.	H	α-helix	trans	-62.6	-40.1	175.6	0	0	0	0	0	112.8	P712 E713 L714 C718 K720	P712-A716 VanDerWaalsContact O-CB 3.29Å; P712-A716 WeakPolarHBondContact O-CB 3.35Å; P712-A716 PolarHBondContact O-N 3.39Å; E713-A716 PolarHBondContact O-N 3.44Å; L714-A716 VanDerWaalsContact C-N 3.32Å; L714-A716 PolarHBondContact O-N 3.45Å; A716-C718 VanDerWaalsContact C-N 3.35Å; A716-K720 WeakPolarHBondContact O-CB 3.24Å; A716-K720 PolarHBondContact O-N 3.1Å
717	K	97.3	Very high	95.3	Very high	82 Å²	82	57 Å²	57	36%	0.357	29%	0.286	S	S	.	.	H	α-helix	trans	-63.9	-39.9	172.8	-66.3	163.8	-166.7	163.7	0	111.3	E713 L714 A715 I721 F751 F754	E713-K717 WeakPolarHBondContact O-CG 3.22Å; E713-K717 PolarHBondContact O-N 2.94Å; E713-K717 VanDerWaalsContact O-N 3.1Å; E713-K717 IonicContact OE2-NZ 3.7Å; L714-K717 PolarHBondContact O-N 3.44Å; A715-K717 PolarHBondContact O-N 2.78Å; K717-I721 PolarHBondContact O-N 2.96Å; K717-I721 VanDerWaalsContact O-N 3.1Å; K717-F751 HydrophobicContact CB-CE1 4.47Å; K717-F751 HydrophobicContact CD-CD1 4.08Å; K717-F751 HydrophobicContact CD-CE1 3.39Å; K717-F751 HydrophobicContact CD-CE2 4.38Å; K717-F751 HydrophobicContact CD-CZ 3.59Å; K717-F754 HydrophobicContact CB-CE2 4.29Å
718	C	97.7	Very high	95.3	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-67.3	-45.5	176.5	-62.2	0	0	0	0	112.8	F518 F690 L714 A715 A716 K720 I721 I722 F754	F518-C718 HydrophobicContact CE1-CB 4.02Å; F518-C718 HydrophobicContact CE2-CB 3.71Å; F518-C718 HydrophobicContact CZ-CB 3.24Å; F690-C718 HydrophobicContact CD1-CB 4.07Å; F690-C718 HydrophobicContact CE1-CB 3.72Å; F690-C718 HydrophobicContact CE2-CB 4.4Å; F690-C718 HydrophobicContact CZ-CB 3.91Å; L714-C718 PolarHBondContact O-N 3.33Å; L714-C718 PolarHBondContact O-SG 3.45Å; A715-C718 WeakPolarHBondContact O-CB 3.4Å; A715-C718 PolarHBondContact O-N 3.32Å; A716-C718 VanDerWaalsContact C-N 3.35Å; C718-K720 PolarHBondContact O-N 2.91Å; C718-I721 WeakPolarHBondContact O-CG2 3.31Å; C718-I721 PolarHBondContact O-N 3.28Å; C718-I722 WeakPolarHBondContact O-CG1 3.18Å; C718-I722 PolarHBondContact O-N 2.88Å; C718-I722 VanDerWaalsContact O-N 3.13Å; C718-F754 HydrophobicContact CB-CZ 4.48Å
719	K	97.3	Very high	95.3	Very high	69 Å²	69	67.1 Å²	67.1	30%	0.3	34%	0.337	S	S	.	.	H	α-helix	trans	-53.4	-53.1	172.6	-69.9	160.1	-172.4	166.3	0	109.9	F518 D520 A715 I721 I722 E723	F518-K719 HydrophobicContact CB-CD 4.36Å; F518-K719 HydrophobicContact CB-CG 4.36Å; F518-K719 HydrophobicContact CD2-CG 3.88Å; F518-K719 HydrophobicContact CE2-CG 4.49Å; F518-K719 HydrophobicContact CG-CG 4.25Å; D520-K719 IonicContact OD1-NZ 2.58Å; D520-K719 IonicContact OD2-NZ 3.97Å; D520-K719 PolarHBondContact OD2-NZ 3.21Å; A715-K719 WeakPolarHBondContact O-CB 3.45Å; A715-K719 WeakPolarHBondContact O-CD 3.49Å; A715-K719 WeakPolarHBondContact O-CG 3.28Å; A715-K719 PolarHBondContact O-N 3.47Å; K719-I721 PolarHBondContact O-N 2.98Å; K719-I722 PolarHBondContact O-N 3.32Å; K719-E723 WeakPolarHBondContact O-CG 3.24Å; K719-E723 PolarHBondContact O-N 3.39Å
720	K	97.3	Very high	95.4	Very high	153 Å²	153	63.8 Å²	63.8	67%	0.665	32%	0.322	S	S	*	.	H	α-helix	trans	-60.6	-38.2	-179.2	-174.7	175	-179.1	178.1	0	114.6	A716 C718 R724	A716-K720 WeakPolarHBondContact O-CB 3.24Å; A716-K720 PolarHBondContact O-N 3.1Å; C718-K720 PolarHBondContact O-N 2.91Å; K720-R724 WeakPolarHBondContact O-CB 3.46Å; K720-R724 PolarHBondContact O-N 3.36Å
721	I	97.4	Very high	95.6	Very high	10 Å²	10	62.5 Å²	62.5	5%	0.051	31%	0.305	C	S	.	.	H	α-helix	trans	-74.9	-34.9	177.9	-162.9	169.1	0	0	0	112.1	K717 C718 K719 R724 M725 F754 I757	K717-I721 PolarHBondContact O-N 2.96Å; K717-I721 VanDerWaalsContact O-N 3.1Å; C718-I721 WeakPolarHBondContact O-CG2 3.31Å; C718-I721 PolarHBondContact O-N 3.28Å; K719-I721 PolarHBondContact O-N 2.98Å; I721-R724 PolarHBondContact O-N 3.39Å; I721-M725 HydrophobicContact CG1-CE 4.32Å; I721-M725 WeakPolarHBondContact O-CB 3.47Å; I721-M725 VanDerWaalsContact O-CG 3.29Å; I721-M725 WeakPolarHBondContact O-CG 3.34Å; I721-M725 PolarHBondContact O-N 3.48Å; I721-F754 HydrophobicContact CD1-CB 3.75Å; I721-F754 HydrophobicContact CD1-CD1 3.64Å; I721-F754 HydrophobicContact CD1-CD2 4.5Å; I721-F754 HydrophobicContact CD1-CE1 4.4Å; I721-F754 HydrophobicContact CD1-CG 3.71Å; I721-F754 HydrophobicContact CG2-CD1 4.25Å; I721-F754 HydrophobicContact CG2-CD2 4.41Å; I721-F754 HydrophobicContact CG2-CE1 4.03Å; I721-F754 HydrophobicContact CG2-CE2 4.2Å; I721-F754 HydrophobicContact CG2-CG 4.46Å; I721-F754 HydrophobicContact CG2-CZ 4.01Å; I721-I757 HydrophobicContact CD1-CB 3.98Å; I721-I757 HydrophobicContact CD1-CD1 4.35Å; I721-I757 HydrophobicContact CD1-CG2 3.8Å; I721-I757 HydrophobicContact CG1-CG2 4.25Å
722	I	97.8	Very high	95.5	Very high	9 Å²	9	60.2 Å²	60.2	5%	0.046	29%	0.294	C	S	.	.	H	α-helix	trans	-62.3	-45.4	171.4	-66.5	-73.1	0	0	0	110.8	L513 V516 F690 V694 C718 K719 M725 K726	L513-I722 HydrophobicContact CD1-CD1 4.47Å; V516-I722 HydrophobicContact CG2-CD1 4.2Å; F690-I722 HydrophobicContact CE1-CD1 4.01Å; F690-I722 HydrophobicContact CE1-CG1 3.88Å; F690-I722 HydrophobicContact CZ-CD1 3.84Å; F690-I722 HydrophobicContact CZ-CG1 3.64Å; V694-I722 HydrophobicContact CG1-CD1 3.91Å; V694-I722 HydrophobicContact CG2-CD1 4.01Å; C718-I722 WeakPolarHBondContact O-CG1 3.18Å; C718-I722 PolarHBondContact O-N 2.88Å; C718-I722 VanDerWaalsContact O-N 3.13Å; K719-I722 PolarHBondContact O-N 3.32Å; I722-M725 HydrophobicContact CD1-CE 3.77Å; I722-M725 HydrophobicContact CG1-CE 4.43Å; I722-M725 PolarHBondContact O-N 3.37Å; I722-K726 HydrophobicContact CG2-CD 4.06Å; I722-K726 WeakPolarHBondContact O-CG 3.47Å; I722-K726 PolarHBondContact O-N 3.07Å
723	E	96.8	Very high	95.4	Very high	106 Å²	106	57.4 Å²	57.4	50%	0.495	28%	0.278	S	S	.	.	H	α-helix	trans	-57.3	-49.8	174.6	-72.2	163.1	-168.8	0	0	111.6	K719 M725 K726 Q727	K719-E723 WeakPolarHBondContact O-CG 3.24Å; K719-E723 PolarHBondContact O-N 3.39Å; E723-M725 VanDerWaalsContact C-N 3.3Å; E723-M725 PolarHBondContact O-N 3.42Å; E723-K726 PolarHBondContact O-N 2.87Å; E723-Q727 VanDerWaalsContact O-CG 3.27Å; E723-Q727 WeakPolarHBondContact O-CG 3.48Å; E723-Q727 PolarHBondContact O-N 3.04Å
724	R	96.8	Very high	95.3	Very high	65 Å²	65	54.3 Å²	54.3	25%	0.245	27%	0.265	C	S	.	.	H	α-helix	trans	-62.6	-35.9	178.7	-167.2	-177.7	179.9	-157	-6.1	112.5	K720 I721 K728 S758 L761 S762	K720-R724 WeakPolarHBondContact O-CB 3.46Å; K720-R724 PolarHBondContact O-N 3.36Å; I721-R724 PolarHBondContact O-N 3.39Å; R724-K728 PolarHBondContact O-N 3.45Å; R724-S758 VanDerWaalsContact NH1-CB 3.33Å; R724-S758 PolarHBondContact NH1-O 2.98Å; R724-L761 HydrophobicContact CB-CD1 4.44Å; R724-L761 HydrophobicContact CG-CD1 4.01Å; R724-S762 PolarHBondContact NH2-OG 3.03Å
725	M	96.8	Very high	95.3	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-69.7	-40	175	-74.6	-173.2	-60.5	0	0	112.1	L513 I691 I721 I722 E723 K728 D729 V730 L735 I757 L761	L513-M725 HydrophobicContact CD1-CB 3.72Å; L513-M725 HydrophobicContact CD1-CE 3.86Å; L513-M725 HydrophobicContact CD1-SD 4.23Å; I691-M725 HydrophobicContact CD1-CE 3.99Å; I721-M725 HydrophobicContact CG1-CE 4.32Å; I721-M725 WeakPolarHBondContact O-CB 3.47Å; I721-M725 VanDerWaalsContact O-CG 3.29Å; I721-M725 WeakPolarHBondContact O-CG 3.34Å; I721-M725 PolarHBondContact O-N 3.48Å; I722-M725 HydrophobicContact CD1-CE 3.77Å; I722-M725 HydrophobicContact CG1-CE 4.43Å; I722-M725 PolarHBondContact O-N 3.37Å; E723-M725 VanDerWaalsContact C-N 3.3Å; E723-M725 PolarHBondContact O-N 3.42Å; M725-K728 CarbonylContact O-C 3.52Å; M725-K728 PolarHBondContact O-N 3.28Å; M725-D729 PolarHBondContact O-N 2.85Å; M725-V730 HydrophobicContact CB-CB 3.92Å; M725-V730 HydrophobicContact CB-CG1 4.37Å; M725-V730 HydrophobicContact CB-CG2 3.93Å; M725-V730 HydrophobicContact CG-CB 4.36Å; M725-V730 HydrophobicContact CG-CG1 4.42Å; M725-V730 HydrophobicContact CG-CG2 4.12Å; M725-V730 WeakPolarHBondContact O-CB 3.44Å; M725-V730 VanDerWaalsContact O-CG2 3.27Å; M725-V730 WeakPolarHBondContact O-CG2 3.22Å; M725-V730 PolarHBondContact O-N 3.04Å; M725-V730 HydrophobicContact SD-CG1 4.42Å; M725-L735 HydrophobicContact CE-CD1 4.4Å; M725-L735 HydrophobicContact CE-CD2 4.28Å; M725-L735 HydrophobicContact SD-CD1 3.51Å; M725-L735 VanDerWaalsContact SD-CD1 3.51Å; M725-L735 HydrophobicContact SD-CD2 4.15Å; M725-L735 HydrophobicContact SD-CG 4.4Å; M725-I757 HydrophobicContact CG-CG2 4.33Å; M725-I757 HydrophobicContact SD-CG2 3.93Å; M725-L761 HydrophobicContact CG-CD1 3.74Å; M725-L761 HydrophobicContact CG-CD2 4.45Å
726	K	95.2	Very high	95.1	Very high	96 Å²	96	54.9 Å²	54.9	42%	0.417	27%	0.267	S	S	.	.	H	α-helix	trans	-65.1	-37.2	173.9	-72.7	179.1	177.2	-177.1	0	112	P514 I722 E723 K728 D729	P514-K726 WeakPolarHBondContact O-CE 3.44Å; P514-K726 PolarHBondContact O-NZ 3.16Å; I722-K726 HydrophobicContact CG2-CD 4.06Å; I722-K726 WeakPolarHBondContact O-CG 3.47Å; I722-K726 PolarHBondContact O-N 3.07Å; E723-K726 PolarHBondContact O-N 2.87Å; K726-K728 PolarHBondContact O-N 3.26Å; K726-D729 PolarHBondContact O-N 3.46Å
727	Q	95.5	Very high	94.9	Very high	146 Å²	146	55.2 Å²	55.2	68%	0.682	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-8.1	173.7	-71	167.2	4.8	0	0	114.8	E723	E723-Q727 VanDerWaalsContact O-CG 3.27Å; E723-Q727 WeakPolarHBondContact O-CG 3.48Å; E723-Q727 PolarHBondContact O-N 3.04Å
728	K	95.1	Very high	94.7	Very high	76 Å²	76	52.3 Å²	52.3	33%	0.33	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.7	20.1	178.9	-68.2	-62.3	-169.5	-174.6	0	112.2	R724 M725 K726 V730 L761 E765	R724-K728 PolarHBondContact O-N 3.45Å; M725-K728 CarbonylContact O-C 3.52Å; M725-K728 PolarHBondContact O-N 3.28Å; K726-K728 PolarHBondContact O-N 3.26Å; K728-V730 HydrophobicContact CB-CG2 4.07Å; K728-V730 PolarHBondContact O-N 3.02Å; K728-L761 HydrophobicContact CB-CD2 4.21Å; K728-L761 HydrophobicContact CG-CD2 4.5Å; K728-E765 VanDerWaalsContact CE-OE1 3.3Å; K728-E765 WeakPolarHBondContact CE-OE1 3.43Å; K728-E765 IonicContact NZ-OE1 2.96Å; K728-E765 PolarHBondContact NZ-OE1 2.65Å
729	D	93.9	Very high	94.5	Very high	138 Å²	138	52.3 Å²	52.3	74%	0.738	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.2	36.2	-180	-63.6	-60.8	0	0	0	113.7	M725 K726 T731	M725-D729 PolarHBondContact O-N 2.85Å; K726-D729 PolarHBondContact O-N 3.46Å; D729-T731 PolarHBondContact O-N 2.68Å; D729-T731 VanDerWaalsContact O-N 3.17Å
730	V	94.5	Very high	94.1	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.024	25%	0.248	C	C	.	.			trans	-65.9	119.9	-176	175.8	0	0	0	0	109.6	L513 M725 K728 M734 L735 M738 L761	L513-V730 WeakPolarHBondContact CG-O 3.29Å; M725-V730 HydrophobicContact CB-CB 3.92Å; M725-V730 HydrophobicContact CB-CG1 4.37Å; M725-V730 HydrophobicContact CB-CG2 3.93Å; M725-V730 HydrophobicContact CG-CB 4.36Å; M725-V730 HydrophobicContact CG-CG1 4.42Å; M725-V730 HydrophobicContact CG-CG2 4.12Å; M725-V730 WeakPolarHBondContact O-CB 3.44Å; M725-V730 VanDerWaalsContact O-CG2 3.27Å; M725-V730 WeakPolarHBondContact O-CG2 3.22Å; M725-V730 PolarHBondContact O-N 3.04Å; M725-V730 HydrophobicContact SD-CG1 4.42Å; K728-V730 HydrophobicContact CB-CG2 4.07Å; K728-V730 PolarHBondContact O-N 3.02Å; V730-M734 HydrophobicContact CG1-CB 4.08Å; V730-M734 HydrophobicContact CG2-CE 4.41Å; V730-L735 HydrophobicContact CG1-CB 4.04Å; V730-M738 HydrophobicContact CG1-CE 4.48Å; V730-M738 HydrophobicContact CG2-CE 4.47Å; V730-L761 HydrophobicContact CG2-CD2 3.46Å; V730-L761 VanDerWaalsContact CG2-CD2 3.46Å
731	T	93	Very high	93.7	Very high	23 Å²	23	46.4 Å²	46.4	14%	0.141	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-86.5	163.1	176.2	60.5	0	0	0	0	111.9	K509 R511 D729 G733 M734 L735	K509-T731 WeakPolarHBondContact O-CB 3.5Å; K509-T731 PolarHBondContact O-OG1 3.07Å; R511-T731 CarbonylContact O-C 3.42Å; R511-T731 WeakPolarHBondContact O-CA 3.31Å; R511-T731 VanDerWaalsContact O-CB 3.25Å; R511-T731 WeakPolarHBondContact O-CB 3.25Å; D729-T731 PolarHBondContact O-N 2.68Å; D729-T731 VanDerWaalsContact O-N 3.17Å; T731-G733 PolarHBondContact O-N 3.12Å; T731-M734 HydrophobicContact CG2-SD 4.23Å; T731-M734 WeakPolarHBondContact O-CB 3.38Å; T731-M734 PolarHBondContact O-N 2.81Å; T731-M734 VanDerWaalsContact O-N 3.11Å; T731-M734 VanDerWaalsContact OG1-CG 3.23Å; T731-M734 WeakPolarHBondContact OG1-CG 3.38Å; T731-M734 PolarHBondContact OG1-N 3.06Å; T731-M734 PolarHBondContact OG1-SD 3.09Å; T731-L735 PolarHBondContact O-N 2.72Å
732	L	92	Very high	93.3	Very high	6 Å²	6	46.1 Å²	46.1	3%	0.031	23%	0.232	C	C	.	.	H	α-helix	trans	-57	-37.8	174.3	-63.5	178.8	0	0	0	112.1	R511 L513 L735 F736	R511-L732 HydrophobicContact CB-CD1 3.92Å; R511-L732 HydrophobicContact CB-CG 4.25Å; R511-L732 HydrophobicContact CG-CD1 4.33Å; R511-L732 PolarHBondContact O-N 3.2Å; L513-L732 HydrophobicContact CD2-CD2 3.86Å; L732-L735 PolarHBondContact O-N 2.86Å; L732-F736 WeakPolarHBondContact O-CB 3.5Å; L732-F736 PolarHBondContact O-N 3.43Å
733	G	88.6	Confident	92.9	Very high	16 Å²	16	47.5 Å²	47.5	17%	0.165	25%	0.248	C	C	.	.	H	α-helix	trans	-65	-39.6	176	0	0	0	0	0	112.8	K509 T731 S737	K509-G733 WeakPolarHBondContact O-CA 3.35Å; K509-G733 PolarHBondContact O-N 2.84Å; T731-G733 PolarHBondContact O-N 3.12Å; G733-S737 WeakPolarHBondContact O-CB 3.39Å; G733-S737 PolarHBondContact O-N 2.81Å; G733-S737 VanDerWaalsContact O-N 3.07Å
734	M	92.4	Very high	92.7	Very high	80 Å²	80	46.6 Å²	46.6	39%	0.394	25%	0.247	S	C	.	.	H	α-helix	trans	-66.5	-47.9	174.1	-71.7	162.1	67.8	0	0	111.3	V730 T731 F736 S737 M738	V730-M734 HydrophobicContact CG1-CB 4.08Å; V730-M734 HydrophobicContact CG2-CE 4.41Å; T731-M734 HydrophobicContact CG2-SD 4.23Å; T731-M734 WeakPolarHBondContact O-CB 3.38Å; T731-M734 PolarHBondContact O-N 2.81Å; T731-M734 VanDerWaalsContact O-N 3.11Å; T731-M734 VanDerWaalsContact OG1-CG 3.23Å; T731-M734 WeakPolarHBondContact OG1-CG 3.38Å; T731-M734 PolarHBondContact OG1-N 3.06Å; T731-M734 PolarHBondContact OG1-SD 3.09Å; M734-F736 PolarHBondContact O-N 2.97Å; M734-S737 CarbonylContact O-C 3.47Å; M734-S737 WeakPolarHBondContact O-CB 3.37Å; M734-S737 PolarHBondContact O-N 3.45Å; M734-S737 VanDerWaalsContact O-N 3.13Å; M734-M738 HydrophobicContact CB-CE 4.39Å; M734-M738 WeakPolarHBondContact O-CG 3.33Å; M734-M738 PolarHBondContact O-N 2.96Å
735	L	94.4	Very high	92.5	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63	-43.3	-179.4	-176	51	0	0	0	112.4	L513 I691 V694 I695 M725 V730 T731 L732 S737 M738 I739 I757	L513-L735 HydrophobicContact CD1-CD2 4.17Å; L513-L735 HydrophobicContact CD2-CB 4.25Å; L513-L735 HydrophobicContact CD2-CD2 3.6Å; I691-L735 HydrophobicContact CG2-CD1 3.68Å; I691-L735 HydrophobicContact CG2-CD2 4.06Å; I691-L735 HydrophobicContact CG2-CG 3.85Å; V694-L735 HydrophobicContact CG1-CD2 4.24Å; I695-L735 HydrophobicContact CD1-CG 4.15Å; I695-L735 HydrophobicContact CG1-CD2 4.05Å; I695-L735 HydrophobicContact CG1-CG 4.02Å; M725-L735 HydrophobicContact CE-CD1 4.4Å; M725-L735 HydrophobicContact CE-CD2 4.28Å; M725-L735 HydrophobicContact SD-CD1 3.51Å; M725-L735 VanDerWaalsContact SD-CD1 3.51Å; M725-L735 HydrophobicContact SD-CD2 4.15Å; M725-L735 HydrophobicContact SD-CG 4.4Å; V730-L735 HydrophobicContact CG1-CB 4.04Å; T731-L735 PolarHBondContact O-N 2.72Å; L732-L735 PolarHBondContact O-N 2.86Å; L735-S737 VanDerWaalsContact C-N 3.33Å; L735-S737 PolarHBondContact O-N 3.45Å; L735-M738 PolarHBondContact O-N 3.21Å; L735-I739 PolarHBondContact O-N 2.91Å; L735-I739 VanDerWaalsContact O-N 3.08Å; L735-I757 HydrophobicContact CD1-CD1 4.01Å
736	F	91.7	Very high	92.2	Very high	20 Å²	20	53.3 Å²	53.3	9%	0.088	28%	0.281	C	S	.	.	H	α-helix	trans	-60.1	-42.4	172.1	177.6	-111.4	0	0	0	111.8	W505 I650 M653 I695 L732 M734 M738 I739 N740	W505-F736 HydrophobicContact CE3-CD1 4.14Å; W505-F736 HydrophobicContact CE3-CE1 4.19Å; W505-F736 HydrophobicContact CH2-CE1 4.35Å; W505-F736 HydrophobicContact CZ3-CD1 4.14Å; W505-F736 AromaticContact CZ3-CE1 3.99Å; W505-F736 HydrophobicContact CZ3-CE1 3.99Å; I650-F736 HydrophobicContact CD1-CZ 4.48Å; I650-F736 HydrophobicContact CG1-CE2 4.24Å; I650-F736 HydrophobicContact CG1-CZ 4.04Å; M653-F736 HydrophobicContact CE-CD2 4.27Å; M653-F736 HydrophobicContact CE-CE2 3.93Å; I695-F736 HydrophobicContact CD1-CB 4.22Å; L732-F736 WeakPolarHBondContact O-CB 3.5Å; L732-F736 PolarHBondContact O-N 3.43Å; M734-F736 PolarHBondContact O-N 2.97Å; F736-M738 VanDerWaalsContact C-N 3.35Å; F736-M738 PolarHBondContact O-N 2.69Å; F736-I739 WeakPolarHBondContact O-CG1 3.19Å; F736-I739 PolarHBondContact O-N 3.16Å; F736-N740 WeakPolarHBondContact O-CB 3.47Å; F736-N740 PolarHBondContact O-N 3.44Å
737	S	90.5	Very high	92.1	Very high	61 Å²	61	56.4 Å²	56.4	43%	0.427	30%	0.295	S	S	.	.	H	α-helix	trans	-64.1	-37.2	176.2	-165.9	0	0	0	0	112.7	G733 M734 L735 N741	G733-S737 WeakPolarHBondContact O-CB 3.39Å; G733-S737 PolarHBondContact O-N 2.81Å; G733-S737 VanDerWaalsContact O-N 3.07Å; M734-S737 CarbonylContact O-C 3.47Å; M734-S737 WeakPolarHBondContact O-CB 3.37Å; M734-S737 PolarHBondContact O-N 3.45Å; M734-S737 VanDerWaalsContact O-N 3.13Å; L735-S737 VanDerWaalsContact C-N 3.33Å; L735-S737 PolarHBondContact O-N 3.45Å; S737-N741 WeakPolarHBondContact O-CB 3.24Å; S737-N741 PolarHBondContact O-N 2.74Å; S737-N741 PolarHBondContact O-ND2 2.97Å
738	M	93.8	Very high	92	Very high	21 Å²	21	53.4 Å²	53.4	10%	0.103	28%	0.281	C	S	.	.	H	α-helix	trans	-64.3	-51	176.1	-69.4	171.4	-170.6	0	0	111.4	V730 M734 L735 F736 N741 T742 I757 Y760 L761	V730-M738 HydrophobicContact CG1-CE 4.48Å; V730-M738 HydrophobicContact CG2-CE 4.47Å; M734-M738 HydrophobicContact CB-CE 4.39Å; M734-M738 WeakPolarHBondContact O-CG 3.33Å; M734-M738 PolarHBondContact O-N 2.96Å; L735-M738 PolarHBondContact O-N 3.21Å; F736-M738 VanDerWaalsContact C-N 3.35Å; F736-M738 PolarHBondContact O-N 2.69Å; M738-N741 CarbonylContact O-C 3.51Å; M738-N741 PolarHBondContact O-N 3.12Å; M738-T742 PolarHBondContact O-N 3.48Å; M738-I757 HydrophobicContact CB-CG1 4.25Å; M738-I757 HydrophobicContact SD-CG2 4.18Å; M738-Y760 HydrophobicContact CB-CD2 3.94Å; M738-Y760 HydrophobicContact CB-CE2 4.32Å; M738-Y760 HydrophobicContact CG-CD2 3.8Å; M738-Y760 HydrophobicContact CG-CE2 4.49Å; M738-Y760 HydrophobicContact CG-CG 3.98Å; M738-L761 HydrophobicContact CE-CD2 3.88Å; M738-L761 HydrophobicContact SD-CD2 4.4Å
739	I	93.6	Very high	92	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-68.6	-35.5	-179.9	65.3	168.2	0	0	0	112.7	I649 I691 I692 I695 L735 F736 N741 T742 V753 I757	I649-I739 WeakPolarHBondContact CD1-O 3.44Å; I649-I739 HydrophobicContact CG2-CD1 3.6Å; I649-I739 HydrophobicContact CG2-CG1 4.13Å; I691-I739 HydrophobicContact CB-CG2 4.39Å; I691-I739 HydrophobicContact CG2-CD1 4.4Å; I691-I739 HydrophobicContact CG2-CG2 3.56Å; I692-I739 HydrophobicContact CG1-CD1 4.14Å; I695-I739 HydrophobicContact CD1-CD1 3.43Å; I695-I739 VanDerWaalsContact CD1-CD1 3.43Å; I695-I739 HydrophobicContact CD1-CG1 4.1Å; L735-I739 PolarHBondContact O-N 2.91Å; L735-I739 VanDerWaalsContact O-N 3.08Å; F736-I739 WeakPolarHBondContact O-CG1 3.19Å; F736-I739 PolarHBondContact O-N 3.16Å; I739-N741 PolarHBondContact O-N 3.15Å; I739-N741 VanDerWaalsContact O-N 3.15Å; I739-T742 WeakPolarHBondContact O-CG2 3.38Å; I739-T742 PolarHBondContact O-N 2.99Å; I739-T742 PolarHBondContact O-OG1 3.15Å; I739-V753 HydrophobicContact CG2-CG1 4.09Å; I739-I757 HydrophobicContact CG2-CD1 4.08Å
740	N	89.1	Confident	91.9	Very high	31 Å²	31	50.8 Å²	50.8	17%	0.166	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-5.2	177.6	-166.9	34.2	0	0	0	112.7	K646 F736	K646-N740 VanDerWaalsContact CB-OD1 3.31Å; K646-N740 WeakPolarHBondContact CB-OD1 3.3Å; K646-N740 WeakPolarHBondContact CD-OD1 3.17Å; K646-N740 VanDerWaalsContact CE-O 3.28Å; K646-N740 WeakPolarHBondContact CE-O 3.4Å; K646-N740 WeakPolarHBondContact CG-OD1 3.32Å; K646-N740 PolarHBondContact NZ-O 3.1Å; F736-N740 WeakPolarHBondContact O-CB 3.47Å; F736-N740 PolarHBondContact O-N 3.44Å
741	N	89.3	Confident	92	Very high	67 Å²	67	52.1 Å²	52.1	36%	0.358	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.6	26.1	178.4	-61.9	-60.4	0	0	0	112.6	K646 S737 M738 I739 G743 Y760	K646-N741 PolarHBondContact NZ-OD1 2.83Å; S737-N741 WeakPolarHBondContact O-CB 3.24Å; S737-N741 PolarHBondContact O-N 2.74Å; S737-N741 PolarHBondContact O-ND2 2.97Å; M738-N741 CarbonylContact O-C 3.51Å; M738-N741 PolarHBondContact O-N 3.12Å; I739-N741 PolarHBondContact O-N 3.15Å; I739-N741 VanDerWaalsContact O-N 3.15Å; N741-G743 PolarHBondContact O-N 3.3Å; N741-Y760 PolarHBondContact O-OH 3.1Å
742	T	88.4	Confident	92.2	Very high	3 Å²	3	52.6 Å²	52.6	2%	0.018	27%	0.269	C	S	.	.			trans	-59.5	-24.8	171.4	47	0	0	0	0	113.4	L644 M738 I739 Y752 V753 R756	L644-T742 HydrophobicContact CD2-CG2 4.45Å; M738-T742 PolarHBondContact O-N 3.48Å; I739-T742 WeakPolarHBondContact O-CG2 3.38Å; I739-T742 PolarHBondContact O-N 2.99Å; I739-T742 PolarHBondContact O-OG1 3.15Å; T742-Y752 PolarHBondContact O-OH 3.38Å; T742-V753 HydrophobicContact CG2-CG1 4.47Å; T742-V753 HydrophobicContact CG2-CG2 4.49Å; T742-R756 HydrophobicContact CG2-CB 4.06Å; T742-R756 HydrophobicContact CG2-CG 4.43Å; T742-R756 PolarHBondContact O-NE 2.99Å; T742-R756 PolarHBondContact O-NH1 2.91Å; T742-R756 PolarHBondContact O-NH2 3.19Å
743	G	89.4	Confident	92.4	Very high	38 Å²	38	52.3 Å²	52.3	39%	0.392	27%	0.267	S	S	.	.			trans	68.5	-171.3	-165.1	0	0	0	0	0	111.7	N741	N741-G743 PolarHBondContact O-N 3.3Å
744	L	91.9	Very high	92.8	Very high	88 Å²	88	52 Å²	52	46%	0.461	26%	0.262	S	S	.	.			trans	-108.1	144.4	-178.7	-56.4	178.3	0	0	0	110.7	T641 L644 Y752	T641-L744 HydrophobicContact CG2-CD1 4.02Å; T641-L744 HydrophobicContact CG2-CD2 4.08Å; T641-L744 HydrophobicContact CG2-CG 4.44Å; L644-L744 HydrophobicContact CB-CD2 3.98Å; L744-Y752 VanDerWaalsContact C-OH 3.26Å; L744-Y752 PolarHBondContact O-OH 3.29Å
745	P	92.6	Very high	93	Very high	11 Å²	11	52.2 Å²	52.2	7%	0.071	26%	0.264	C	S	.	.			trans	-76	146.4	175.3	30.4	-34.4	0	0	0	111.9	L637 Q640 L644 K747 Y752	L637-P745 HydrophobicContact CD1-CB 4.41Å; L637-P745 HydrophobicContact CD1-CG 3.9Å; Q640-P745 HydrophobicContact CG-CG 4.26Å; L644-P745 HydrophobicContact CD1-CG 4.35Å; P745-K747 WeakPolarHBondContact CB-O 3.47Å; P745-Y752 HydrophobicContact CB-CD2 3.9Å; P745-Y752 HydrophobicContact CB-CE1 4.46Å; P745-Y752 HydrophobicContact CB-CE2 3.82Å; P745-Y752 HydrophobicContact CB-CG 4.25Å
746	H	90.8	Very high	93	Very high	194 Å²	194	55.9 Å²	55.9	90%	0.898	28%	0.278	S	S	*	.	S	Bend	trans	-85.2	-13	171	-62.6	-56.6	0	0	0	113.5
747	K	93.6	Very high	93.2	Very high	161 Å²	161	55 Å²	55	70%	0.7	27%	0.274	S	S	*	.	S	Bend	trans	-153.7	146.6	175.9	63.7	176.7	-174.9	173.2	0	108.1	P745 F749	P745-K747 WeakPolarHBondContact CB-O 3.47Å; K747-F749 PolarHBondContact O-N 3.33Å
748	H	94.3	Very high	93.5	Very high	83 Å²	83	53.7 Å²	53.7	38%	0.384	27%	0.265	S	S	.	.			trans	-57.2	132	177.4	166.7	-95.4	0	0	0	110.8	K636 L637	K636-H748 HydrophobicContact CB-CB 4.22Å; K636-H748 PolarHBondContact O-CD2 2.84Å; L637-H748 HydrophobicContact CB-CB 4.2Å
749	F	93.9	Very high	93.5	Very high	83 Å²	83	56.9 Å²	56.9	36%	0.364	29%	0.286	S	S	.	.			trans	-153	113.6	173.5	173.8	-119.2	0	0	0	109.8	Q640 K747 F751 Y752 D755	Q640-F749 PolarHBondContact NE2-O 2.9Å; Q640-F749 VanDerWaalsContact OE1-N 3.13Å; K747-F749 PolarHBondContact O-N 3.33Å; F749-F751 VanDerWaalsContact C-N 3.31Å; F749-F751 HydrophobicContact CE1-CB 3.8Å; F749-F751 HydrophobicContact CE2-CB 4.43Å; F749-F751 HydrophobicContact CE2-CD2 4.43Å; F749-F751 HydrophobicContact CZ-CB 3.72Å; F749-F751 HydrophobicContact CZ-CD2 4.43Å; F749-F751 PolarHBondContact O-N 2.9Å; F749-Y752 WeakPolarHBondContact O-CB 3.38Å; F749-Y752 PolarHBondContact O-N 2.72Å; F749-D755 WeakPolarHBondContact CE1-OD2 3.45Å
750	E	92.6	Very high	93.4	Very high	77 Å²	77	60.4 Å²	60.4	36%	0.36	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49	-47.9	-174.3	-179.5	179.2	-158.3	0	0	113	P687 Y752	P687-E750 HydrophobicContact CG-CG 4.32Å; P687-E750 WeakPolarHBondContact CG-O 3.47Å; E750-Y752 PolarHBondContact O-N 3.17Å
751	F	96.3	Very high	93.5	Very high	32 Å²	32	59.1 Å²	59.1	14%	0.14	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	12.6	-175.7	-59	-75.3	0	0	0	114.4	P687 L714 K717 F749 V753 F754 D755	P687-F751 HydrophobicContact CG-CD1 4.16Å; P687-F751 HydrophobicContact CG-CE1 4.35Å; L714-F751 HydrophobicContact CD1-CE1 3.57Å; L714-F751 HydrophobicContact CD1-CZ 4.07Å; K717-F751 HydrophobicContact CB-CE1 4.47Å; K717-F751 HydrophobicContact CD-CD1 4.08Å; K717-F751 HydrophobicContact CD-CE1 3.39Å; K717-F751 HydrophobicContact CD-CE2 4.38Å; K717-F751 HydrophobicContact CD-CZ 3.59Å; F749-F751 VanDerWaalsContact C-N 3.31Å; F749-F751 HydrophobicContact CE1-CB 3.8Å; F749-F751 HydrophobicContact CE2-CB 4.43Å; F749-F751 HydrophobicContact CE2-CD2 4.43Å; F749-F751 HydrophobicContact CZ-CB 3.72Å; F749-F751 HydrophobicContact CZ-CD2 4.43Å; F749-F751 PolarHBondContact O-N 2.9Å; F751-V753 VanDerWaalsContact C-N 3.3Å; F751-V753 PolarHBondContact O-N 3.25Å; F751-F754 AromaticContact CD1-CD2 3.93Å; F751-F754 HydrophobicContact CD1-CD2 3.93Å; F751-F754 HydrophobicContact CD1-CE2 4.45Å; F751-F754 PolarHBondContact O-N 3.26Å; F751-D755 PolarHBondContact O-N 3.26Å
752	Y	96.4	Very high	93.5	Very high	32 Å²	32	58.3 Å²	58.3	13%	0.125	29%	0.292	C	S	.	.	H	α-helix	trans	-52.1	-45.1	-176.6	-177.3	-97.1	0	0	0	112.7	L644 T742 L744 P745 F749 E750 F754 D755 R756	L644-Y752 HydrophobicContact CD1-CD1 3.88Å; L644-Y752 HydrophobicContact CD1-CE1 3.97Å; T742-Y752 PolarHBondContact O-OH 3.38Å; L744-Y752 VanDerWaalsContact C-OH 3.26Å; L744-Y752 PolarHBondContact O-OH 3.29Å; P745-Y752 HydrophobicContact CB-CD2 3.9Å; P745-Y752 HydrophobicContact CB-CE1 4.46Å; P745-Y752 HydrophobicContact CB-CE2 3.82Å; P745-Y752 HydrophobicContact CB-CG 4.25Å; F749-Y752 WeakPolarHBondContact O-CB 3.38Å; F749-Y752 PolarHBondContact O-N 2.72Å; E750-Y752 PolarHBondContact O-N 3.17Å; Y752-F754 PolarHBondContact O-N 3.11Å; Y752-D755 PolarHBondContact O-N 3.2Å; Y752-R756 HydrophobicContact CD1-CG 4.01Å; Y752-R756 HydrophobicContact CE1-CG 3.67Å; Y752-R756 HydrophobicContact CE2-CG 4.3Å; Y752-R756 HydrophobicContact CG-CG 4.45Å; Y752-R756 WeakPolarHBondContact O-CB 3.15Å; Y752-R756 VanDerWaalsContact O-CG 3.29Å; Y752-R756 WeakPolarHBondContact O-CG 3.38Å; Y752-R756 PolarHBondContact O-N 2.74Å; Y752-R756 PolarHBondContact OH-NH1 2.69Å
753	V	96.4	Very high	92.9	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-65.3	-38.7	179.3	178.8	0	0	0	0	111.9	L644 L688 I739 T742 F751 R756 I757	L644-V753 HydrophobicContact CD2-CG2 3.77Å; L688-V753 HydrophobicContact CB-CG2 4.06Å; L688-V753 HydrophobicContact CD1-CG1 4.38Å; L688-V753 HydrophobicContact CD1-CG2 4.17Å; I739-V753 HydrophobicContact CG2-CG1 4.09Å; T742-V753 HydrophobicContact CG2-CG1 4.47Å; T742-V753 HydrophobicContact CG2-CG2 4.49Å; F751-V753 VanDerWaalsContact C-N 3.3Å; F751-V753 PolarHBondContact O-N 3.25Å; V753-R756 PolarHBondContact O-N 2.89Å; V753-I757 HydrophobicContact CG1-CD1 3.9Å; V753-I757 WeakPolarHBondContact O-CB 3.39Å; V753-I757 VanDerWaalsContact O-CG1 3.28Å; V753-I757 WeakPolarHBondContact O-CG1 3.05Å; V753-I757 PolarHBondContact O-N 2.61Å
754	F	97.4	Very high	91.4	Very high	10 Å²	10	61.9 Å²	61.9	4%	0.044	31%	0.312	C	S	.	.	H	α-helix	trans	-69.6	-36.2	177.4	-73.6	2	0	0	0	112.4	P687 F690 I691 K717 C718 I721 F751 Y752 S758	P687-F754 HydrophobicContact CB-CD1 3.76Å; P687-F754 HydrophobicContact CB-CD2 4.36Å; P687-F754 HydrophobicContact CB-CE1 3.57Å; P687-F754 HydrophobicContact CB-CE2 4.19Å; P687-F754 HydrophobicContact CB-CG 4.16Å; P687-F754 HydrophobicContact CB-CZ 3.79Å; P687-F754 HydrophobicContact CG-CE2 4.34Å; P687-F754 HydrophobicContact CG-CZ 4.32Å; F690-F754 HydrophobicContact CD1-CE1 4.15Å; F690-F754 AromaticContact CD1-CZ 3.92Å; F690-F754 HydrophobicContact CD1-CZ 3.92Å; I691-F754 HydrophobicContact CD1-CE1 4.13Å; I691-F754 HydrophobicContact CG1-CD1 4.47Å; I691-F754 HydrophobicContact CG1-CE1 3.91Å; K717-F754 HydrophobicContact CB-CE2 4.29Å; C718-F754 HydrophobicContact CB-CZ 4.48Å; I721-F754 HydrophobicContact CD1-CB 3.75Å; I721-F754 HydrophobicContact CD1-CD1 3.64Å; I721-F754 HydrophobicContact CD1-CD2 4.5Å; I721-F754 HydrophobicContact CD1-CE1 4.4Å; I721-F754 HydrophobicContact CD1-CG 3.71Å; I721-F754 HydrophobicContact CG2-CD1 4.25Å; I721-F754 HydrophobicContact CG2-CD2 4.41Å; I721-F754 HydrophobicContact CG2-CE1 4.03Å; I721-F754 HydrophobicContact CG2-CE2 4.2Å; I721-F754 HydrophobicContact CG2-CG 4.46Å; I721-F754 HydrophobicContact CG2-CZ 4.01Å; F751-F754 AromaticContact CD1-CD2 3.93Å; F751-F754 HydrophobicContact CD1-CD2 3.93Å; F751-F754 HydrophobicContact CD1-CE2 4.45Å; F751-F754 PolarHBondContact O-N 3.26Å; Y752-F754 PolarHBondContact O-N 3.11Å; F754-S758 WeakPolarHBondContact O-CB 3.46Å; F754-S758 PolarHBondContact O-N 3.24Å; F754-S758 PolarHBondContact O-OG 3.36Å
755	D	95.7	Very high	89.6	Confident	84 Å²	84	61.8 Å²	61.8	45%	0.449	31%	0.309	S	S	.	.	H	α-helix	trans	-69.4	-41.2	174.2	-82.5	14.6	0	0	0	111.6	F749 F751 Y752 S758 T759	F749-D755 WeakPolarHBondContact CE1-OD2 3.45Å; F751-D755 PolarHBondContact O-N 3.26Å; Y752-D755 PolarHBondContact O-N 3.2Å; D755-S758 PolarHBondContact O-N 3.34Å; D755-T759 WeakPolarHBondContact O-CB 3.49Å; D755-T759 PolarHBondContact O-N 2.72Å; D755-T759 PolarHBondContact O-OG1 2.94Å
756	R	95.8	Very high	87.4	Confident	78 Å²	78	66.7 Å²	66.7	29%	0.294	33%	0.334	S	S	.	.	H	α-helix	trans	-63.8	-45.9	175	-69.2	-53.5	-59	-119	2.1	111.8	T742 Y752 V753 T759 Y760	T742-R756 HydrophobicContact CG2-CB 4.06Å; T742-R756 HydrophobicContact CG2-CG 4.43Å; T742-R756 PolarHBondContact O-NE 2.99Å; T742-R756 PolarHBondContact O-NH1 2.91Å; T742-R756 PolarHBondContact O-NH2 3.19Å; Y752-R756 HydrophobicContact CD1-CG 4.01Å; Y752-R756 HydrophobicContact CE1-CG 3.67Å; Y752-R756 HydrophobicContact CE2-CG 4.3Å; Y752-R756 HydrophobicContact CG-CG 4.45Å; Y752-R756 WeakPolarHBondContact O-CB 3.15Å; Y752-R756 VanDerWaalsContact O-CG 3.29Å; Y752-R756 WeakPolarHBondContact O-CG 3.38Å; Y752-R756 PolarHBondContact O-N 2.74Å; Y752-R756 PolarHBondContact OH-NH1 2.69Å; V753-R756 PolarHBondContact O-N 2.89Å; R756-T759 WeakPolarHBondContact O-CB 2.92Å; R756-T759 PolarHBondContact O-N 3.09Å; R756-Y760 WeakPolarHBondContact O-CD2 3.33Å; R756-Y760 PolarHBondContact O-N 3.5Å; R756-Y760 VanDerWaalsContact O-N 3.16Å
757	I	96.1	Very high	85.3	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-59.8	-48.3	172.2	-69.3	166.3	0	0	0	110	I691 I721 M725 L735 M738 I739 V753 T759 Y760 L761	I691-I757 HydrophobicContact CD1-CD1 4.15Å; I691-I757 HydrophobicContact CG1-CD1 4.01Å; I691-I757 HydrophobicContact CG2-CD1 4.38Å; I721-I757 HydrophobicContact CD1-CB 3.98Å; I721-I757 HydrophobicContact CD1-CD1 4.35Å; I721-I757 HydrophobicContact CD1-CG2 3.8Å; I721-I757 HydrophobicContact CG1-CG2 4.25Å; M725-I757 HydrophobicContact CG-CG2 4.33Å; M725-I757 HydrophobicContact SD-CG2 3.93Å; L735-I757 HydrophobicContact CD1-CD1 4.01Å; M738-I757 HydrophobicContact CB-CG1 4.25Å; M738-I757 HydrophobicContact SD-CG2 4.18Å; I739-I757 HydrophobicContact CG2-CD1 4.08Å; V753-I757 HydrophobicContact CG1-CD1 3.9Å; V753-I757 WeakPolarHBondContact O-CB 3.39Å; V753-I757 VanDerWaalsContact O-CG1 3.28Å; V753-I757 WeakPolarHBondContact O-CG1 3.05Å; V753-I757 PolarHBondContact O-N 2.61Å; I757-T759 PolarHBondContact O-N 2.66Å; I757-Y760 WeakPolarHBondContact O-CB 3.47Å; I757-Y760 PolarHBondContact O-N 2.84Å; I757-L761 HydrophobicContact CG2-CD1 3.92Å; I757-L761 HydrophobicContact CG2-CG 4.26Å; I757-L761 WeakPolarHBondContact O-CG 3.28Å; I757-L761 PolarHBondContact O-N 3.25Å
758	S	95.3	Very high	82.8	Confident	35 Å²	35	60.8 Å²	60.8	25%	0.245	32%	0.315	C	S	.	.	H	α-helix	trans	-59.6	-30.4	179	-70.3	0	0	0	0	113.8	R724 F754 D755 S762	R724-S758 VanDerWaalsContact NH1-CB 3.33Å; R724-S758 PolarHBondContact NH1-O 2.98Å; F754-S758 WeakPolarHBondContact O-CB 3.46Å; F754-S758 PolarHBondContact O-N 3.24Å; F754-S758 PolarHBondContact O-OG 3.36Å; D755-S758 PolarHBondContact O-N 3.34Å; S758-S762 PolarHBondContact O-N 3.44Å
759	T	93.9	Very high	80.3	Confident	87 Å²	87	60.2 Å²	60.2	53%	0.534	32%	0.32	S	S	.	.	H	α-helix	trans	-69.1	-47	173.4	-55.4	0	0	0	0	110.8	D755 R756 I757 L761 S762 S763	D755-T759 WeakPolarHBondContact O-CB 3.49Å; D755-T759 PolarHBondContact O-N 2.72Å; D755-T759 PolarHBondContact O-OG1 2.94Å; R756-T759 WeakPolarHBondContact O-CB 2.92Å; R756-T759 PolarHBondContact O-N 3.09Å; I757-T759 PolarHBondContact O-N 2.66Å; T759-L761 VanDerWaalsContact C-N 3.32Å; T759-L761 PolarHBondContact O-N 2.95Å; T759-S762 PolarHBondContact O-N 3.47Å; T759-S763 PolarHBondContact O-N 3.41Å
760	Y	92	Very high	77.7	Confident	75 Å²	75	60.3 Å²	60.3	29%	0.294	33%	0.331	S	S	.	.	H	α-helix	trans	-57.2	-45.1	175	-75.7	-64.3	0	0	0	111.7	M738 N741 R756 I757 S762 S763 S764	M738-Y760 HydrophobicContact CB-CD2 3.94Å; M738-Y760 HydrophobicContact CB-CE2 4.32Å; M738-Y760 HydrophobicContact CG-CD2 3.8Å; M738-Y760 HydrophobicContact CG-CE2 4.49Å; M738-Y760 HydrophobicContact CG-CG 3.98Å; N741-Y760 PolarHBondContact O-OH 3.1Å; R756-Y760 WeakPolarHBondContact O-CD2 3.33Å; R756-Y760 PolarHBondContact O-N 3.5Å; R756-Y760 VanDerWaalsContact O-N 3.16Å; I757-Y760 WeakPolarHBondContact O-CB 3.47Å; I757-Y760 PolarHBondContact O-N 2.84Å; Y760-S762 VanDerWaalsContact C-N 3.25Å; Y760-S762 PolarHBondContact O-N 3.04Å; Y760-S763 WeakPolarHBondContact CA-OG 3.47Å; Y760-S763 PolarHBondContact O-N 3.13Å; Y760-S763 PolarHBondContact O-OG 3.32Å; Y760-S764 PolarHBondContact O-N 3.16Å
761	L	92.1	Very high	75.3	Confident	3 Å²	3	64.3 Å²	64.3	2%	0.016	35%	0.348	C	S	.	.	H	α-helix	trans	-67.7	-17.5	-179.9	-59.9	176.3	0	0	0	114.9	R724 M725 K728 V730 M738 I757 T759 S764	R724-L761 HydrophobicContact CB-CD1 4.44Å; R724-L761 HydrophobicContact CG-CD1 4.01Å; M725-L761 HydrophobicContact CG-CD1 3.74Å; M725-L761 HydrophobicContact CG-CD2 4.45Å; K728-L761 HydrophobicContact CB-CD2 4.21Å; K728-L761 HydrophobicContact CG-CD2 4.5Å; V730-L761 HydrophobicContact CG2-CD2 3.46Å; V730-L761 VanDerWaalsContact CG2-CD2 3.46Å; M738-L761 HydrophobicContact CE-CD2 3.88Å; M738-L761 HydrophobicContact SD-CD2 4.4Å; I757-L761 HydrophobicContact CG2-CD1 3.92Å; I757-L761 HydrophobicContact CG2-CG 4.26Å; I757-L761 WeakPolarHBondContact O-CG 3.28Å; I757-L761 PolarHBondContact O-N 3.25Å; T759-L761 VanDerWaalsContact C-N 3.32Å; T759-L761 PolarHBondContact O-N 2.95Å; L761-S764 PolarHBondContact O-OG 2.95Å; L761-S764 VanDerWaalsContact O-OG 3.14Å
762	S	89	Confident	72.6	Confident	50 Å²	50	66.9 Å²	66.9	35%	0.35	37%	0.37	S	S	.	.	H	α-helix	trans	-89.8	-39.3	169.1	-82.2	0	0	0	0	112.2	R724 S758 T759 Y760 S764 E765	R724-S762 PolarHBondContact NH2-OG 3.03Å; S758-S762 PolarHBondContact O-N 3.44Å; T759-S762 PolarHBondContact O-N 3.47Å; Y760-S762 VanDerWaalsContact C-N 3.25Å; Y760-S762 PolarHBondContact O-N 3.04Å; S762-S764 PolarHBondContact O-N 2.71Å; S762-E765 WeakPolarHBondContact O-CB 3.32Å; S762-E765 WeakPolarHBondContact O-CG 3.29Å; S762-E765 PolarHBondContact O-N 3.46Å
763	S	74.5	Confident	69.7	Low	62 Å²	62	70 Å²	70	43%	0.434	40%	0.396	S	S	.	.	H	α-helix	trans	-60.9	-18.8	-178.6	66.7	0	0	0	0	114.7	T759 Y760 E765	T759-S763 PolarHBondContact O-N 3.41Å; Y760-S763 WeakPolarHBondContact CA-OG 3.47Å; Y760-S763 PolarHBondContact O-N 3.13Å; Y760-S763 PolarHBondContact O-OG 3.32Å; S763-E765 VanDerWaalsContact C-N 3.34Å
764	S	59.3	Low	67	Low	55 Å²	55	75.8 Å²	75.8	39%	0.385	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-21.3	171	39.1	0	0	0	0	114.5	Y760 L761 S762	Y760-S764 PolarHBondContact O-N 3.16Å; L761-S764 PolarHBondContact O-OG 2.95Å; L761-S764 VanDerWaalsContact O-OG 3.14Å; S762-S764 PolarHBondContact O-N 2.71Å
765	E	54.5	Low	64.2	Low	85 Å²	85	80.6 Å²	80.6	40%	0.397	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-29.6	-173.1	-54.5	-176.8	119.6	0	0	112.2	K728 S762 S763 V767 S769	K728-E765 VanDerWaalsContact CE-OE1 3.3Å; K728-E765 WeakPolarHBondContact CE-OE1 3.43Å; K728-E765 IonicContact NZ-OE1 2.96Å; K728-E765 PolarHBondContact NZ-OE1 2.65Å; S762-E765 WeakPolarHBondContact O-CB 3.32Å; S762-E765 WeakPolarHBondContact O-CG 3.29Å; S762-E765 PolarHBondContact O-N 3.46Å; S763-E765 VanDerWaalsContact C-N 3.34Å; E765-V767 VanDerWaalsContact C-N 3.29Å; E765-V767 PolarHBondContact O-N 3.11Å; E765-S769 PolarHBondContact O-N 2.85Å; E765-S769 PolarHBondContact O-OG 3.33Å
766	D	46.5	Very low	61.7	Low	114 Å²	114	83.1 Å²	83.1	61%	0.61	49%	0.487	S	S	*	.	H	α-helix	trans	-71.9	-19.9	178.8	-62.1	-46.3	0	0	0	113.3	S769 S770	D766-S769 WeakPolarHBondContact CA-OG 3.28Å; D766-S769 PolarHBondContact O-OG 3.5Å; D766-S770 WeakPolarHBondContact O-CB 3.41Å; D766-S770 PolarHBondContact O-OG 3.07Å
767	V	46.8	Very low	59	Low	82 Å²	82	84.5 Å²	84.5	50%	0.497	51%	0.508	S	S	.	.	H	α-helix	trans	-89.3	-16.3	-175.8	-172.7	0	0	0	0	113	E765 K771	E765-V767 VanDerWaalsContact C-N 3.29Å; E765-V767 PolarHBondContact O-N 3.11Å; V767-K771 WeakPolarHBondContact O-CD 3.25Å; V767-K771 WeakPolarHBondContact O-CE 3.27Å
768	E	40.9	Very low	56.3	Low	150 Å²	150	96.2 Å²	96.2	70%	0.701	55%	0.552	S	S	*	*	H	α-helix	trans	-99.4	-41.6	174.7	-63.8	-162.4	127.7	0	0	112.2	S770 K771	E768-S770 PolarHBondContact O-N 2.97Å; E768-K771 PolarHBondContact O-N 3.1Å
769	S	40.3	Very low	53.5	Low	70 Å²	70	102.9 Å²	102.9	49%	0.49	61%	0.61	S	S	.	*	H	α-helix	trans	-59.1	-31.8	174.7	55.1	0	0	0	0	113.1	E765 D766 K771 S772	E765-S769 PolarHBondContact O-N 2.85Å; E765-S769 PolarHBondContact O-OG 3.33Å; D766-S769 WeakPolarHBondContact CA-OG 3.28Å; D766-S769 PolarHBondContact O-OG 3.5Å; S769-K771 VanDerWaalsContact C-N 3.28Å; S769-K771 PolarHBondContact O-N 3.32Å; S769-S772 PolarHBondContact O-OG 3.27Å
770	S	40.3	Very low	51.5	Low	85 Å²	85	103.7 Å²	103.7	59%	0.594	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	-6.5	173.9	52.4	0	0	0	0	115	D766 E768	D766-S770 WeakPolarHBondContact O-CB 3.41Å; D766-S770 PolarHBondContact O-OG 3.07Å; E768-S770 PolarHBondContact O-N 2.97Å
771	K	42.7	Very low	49.4	Very low	161 Å²	161	105.2 Å²	105.2	70%	0.7	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	-18.6	176.2	-68.5	174.6	-175.4	165.8	0	113.7	V767 E768 S769 S773	V767-K771 WeakPolarHBondContact O-CD 3.25Å; V767-K771 WeakPolarHBondContact O-CE 3.27Å; E768-K771 PolarHBondContact O-N 3.1Å; S769-K771 VanDerWaalsContact C-N 3.28Å; S769-K771 PolarHBondContact O-N 3.32Å; K771-S773 PolarHBondContact O-N 2.71Å
772	S	39.3	Very low	47	Very low	87 Å²	87	110.9 Å²	110.9	61%	0.608	67%	0.665	S	S	*	*	S	Bend	trans	-89.1	61.1	178.9	56.8	0	0	0	0	112.7	S769	S769-S772 PolarHBondContact O-OG 3.27Å
773	S	34.7	Very low	44.5	Very low	98 Å²	98	114.5 Å²	114.5	69%	0.685	68%	0.683	S	S	*	*			trans	-152.6	85.5	174	-79.6	0	0	0	0	113.3	K771 S775	K771-S773 PolarHBondContact O-N 2.71Å; S773-S775 PolarHBondContact O-N 3.48Å
774	P	40.1	Very low	42.6	Very low	120 Å²	120	117.8 Å²	117.8	78%	0.779	70%	0.699	S	S	*	*			trans	-69.5	113.4	168.9	-12.8	28.7	0	0	0	109.9	V776	P774-V776 PolarHBondContact O-N 3.32Å
775	S	37.7	Very low	41.5	Very low	111 Å²	111	121.9 Å²	121.9	78%	0.776	72%	0.72	S	S	*	*			trans	-73.3	87.7	-178.8	57.4	0	0	0	0	112	S773 S777	S773-S775 PolarHBondContact O-N 3.48Å; S775-S777 VanDerWaalsContact C-N 3.28Å; S775-S777 PolarHBondContact O-N 3.24Å
776	V	44	Very low	40.6	Very low	138 Å²	138	124.6 Å²	124.6	84%	0.836	74%	0.743	S	S	*	*			trans	-78.9	76.6	173.4	-173.9	0	0	0	0	110.2	P774	P774-V776 PolarHBondContact O-N 3.32Å
777	S	39	Very low	40.2	Very low	106 Å²	106	125.4 Å²	125.4	74%	0.741	75%	0.753	S	S	*	*			trans	-87.5	113.7	169.9	55.2	0	0	0	0	110.6	S775	S775-S777 VanDerWaalsContact C-N 3.28Å; S775-S777 PolarHBondContact O-N 3.24Å
778	R	39.1	Very low	39.6	Very low	246 Å²	246	129 Å²	129	93%	0.928	78%	0.775	S	S	*	*			trans	-72.2	130.6	167.4	-85.3	177.4	163.7	166	-6.1	111
779	A	37.3	Very low	39.5	Very low	176 Å²	176	127.1 Å²	127.1	100%	1.455	78%	0.781	S	S	*	*			trans	-148.7	0	145.6	0	0	0	0	0	107.4

Retrieved 779 of 779 residues in 416.6 ms (Link to these results)

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