A0A060WGY0_ONCMY Loading...

Zinc finger protein 276

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A060WGY0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 609 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	30.6	Very low	34	Very low	223 Å²	223	178.1 Å²	178.1	100%	1.099	84%	0.837	S	S	*	*				0	159.8	0	-74.5	158.3	67.6	0	0	110.1
2	K	34.6	Very low	33.5	Very low	199 Å²	199	174.4 Å²	174.4	87%	0.865	83%	0.827	S	S	*	*			trans	50.8	106.3	163.3	-72	174.5	177	170.3	0	119
3	K	40.4	Very low	33.3	Very low	212 Å²	212	170.8 Å²	170.8	92%	0.922	82%	0.822	S	S	*	*			trans	-53.7	156.4	156.6	-57.3	171	178.1	176.9	0	111.6
4	R	39.2	Very low	32.9	Very low	249 Å²	249	165.4 Å²	165.4	94%	0.94	82%	0.82	S	S	*	*			trans	-145.5	137.8	144.6	-100.9	-179.2	-172	-146.5	0.8	111.6
5	G	34.9	Very low	32.6	Very low	71 Å²	71	161.4 Å²	161.4	73%	0.732	82%	0.823	S	S	*	*			trans	-156	153.2	169.7	0	0	0	0	0	109.2
6	R	35.5	Very low	32.2	Very low	224 Å²	224	156.2 Å²	156.2	85%	0.845	82%	0.822	S	S	*	*			trans	-166.8	151.5	-178.2	-95.5	-179.1	-172.3	-157.7	0.8	107.2
7	R	30.9	Very low	32.1	Very low	229 Å²	229	158.1 Å²	158.1	86%	0.864	83%	0.826	S	S	*	*			cis	-163.2	165.8	-17.5	-145.1	-177.4	-168.7	-170.6	2.7	107
8	A	33.2	Very low	31.9	Very low	93 Å²	93	162.9 Å²	162.9	77%	0.769	83%	0.831	S	S	*	*			trans	-127.8	149.9	172.1	0	0	0	0	0	112
9	R	30	Very low	32	Very low	223 Å²	223	159.2 Å²	159.2	84%	0.842	82%	0.821	S	S	*	*			trans	-158.3	137.8	156.8	-91.2	-158.9	169.7	-144.4	-5.7	107.6
10	L	32.8	Very low	32	Very low	134 Å²	134	160.3 Å²	160.3	70%	0.702	82%	0.823	S	S	*	*				63.6	131.1	66.9	-56.4	-175.9	0	0	0	112.7
11	T	31.4	Very low	31.9	Very low	102 Å²	102	158.1 Å²	158.1	63%	0.626	82%	0.817	S	S	*	*			cis	-164.3	178.4	-2.8	30.1	0	0	0	0	111.3
12	D	29.1	Very low	32.2	Very low	134 Å²	134	156 Å²	156	72%	0.717	80%	0.804	S	S	*	*			trans	96	120.2	143.3	-61.6	-46.4	0	0	0	124.4
13	V	30.3	Very low	32.1	Very low	127 Å²	127	151.1 Å²	151.1	77%	0.77	80%	0.795	S	S	*	*			trans	60.3	106.3	130.6	-172.6	0	0	0	0	122.6
14	A	28.4	Very low	31.8	Very low	95 Å²	95	147.6 Å²	147.6	79%	0.785	79%	0.791	S	S	*	*			trans	20.4	134.7	138	0	0	0	0	0	123.6
15	A	28.3	Very low	31.5	Very low	106 Å²	106	140.1 Å²	140.1	88%	0.876	78%	0.782	S	S	*	*				179	171.8	121.7	0	0	0	0	0	112.9
16	G	26.3	Very low	31.3	Very low	78 Å²	78	140.1 Å²	140.1	80%	0.804	78%	0.783	S	S	*	*			trans	103.1	78.8	136.9	0	0	0	0	0	120.2
17	Q	29.2	Very low	31.2	Very low	189 Å²	189	135.3 Å²	135.3	88%	0.883	78%	0.778	S	S	*	*			trans	-53.6	150.4	167.5	-57.3	163.5	-13.3	0	0	115.6
18	R	29.1	Very low	31.1	Very low	244 Å²	244	133.9 Å²	133.9	92%	0.921	78%	0.778	S	S	*	*			trans	-176.6	164.5	133.7	-102.2	-175.3	177.1	-158	-1	110.9
19	S	32.9	Very low	31	Very low	92 Å²	92	138.9 Å²	138.9	64%	0.643	78%	0.783	S	S	*	*			cis	-176.3	124.1	-49.6	-92.7	0	0	0	0	110.6
20	Q	32.5	Very low	31.6	Very low	182 Å²	182	134.7 Å²	134.7	85%	0.85	78%	0.784	S	S	*	*			trans	-176	121.3	151.9	-101.7	158.6	43.9	0	0	106
21	T	31.2	Very low	31.5	Very low	115 Å²	115	133.3 Å²	133.3	71%	0.706	79%	0.792	S	S	*	*			cis	61	123.6	48.3	78.4	0	0	0	0	111.2
22	Q	36	Very low	31.3	Very low	178 Å²	178	132 Å²	132	83%	0.832	80%	0.798	S	S	*	*			cis	-151.7	176.6	31.1	-69.7	-174.5	11.3	0	0	109.3
23	S	33.3	Very low	31.2	Very low	96 Å²	96	135.4 Å²	135.4	67%	0.671	80%	0.801	S	S	*	*			cis	-172.4	179.4	-18.2	50.5	0	0	0	0	106.5
24	V	34.1	Very low	31.2	Very low	139 Å²	139	139 Å²	139	84%	0.842	80%	0.801	S	S	*	*			cis	-140.5	-154.8	3.5	-140.3	0	0	0	0	111.1
25	A	32.2	Very low	31.1	Very low	91 Å²	91	143.4 Å²	143.4	75%	0.752	81%	0.805	S	S	*	*			trans	-55.9	168.3	171.5	0	0	0	0	0	117.8
26	G	30.3	Very low	31.3	Very low	72 Å²	72	147.7 Å²	147.7	74%	0.742	80%	0.799	S	S	*	*			cis	152.5	-171.3	-0.2	0	0	0	0	0	112
27	V	33.1	Very low	32.1	Very low	123 Å²	123	149.9 Å²	149.9	75%	0.745	80%	0.799	S	S	*	*			cis	-168	133	-12.4	123.1	0	0	0	0	108.9
28	K	29.2	Very low	32.2	Very low	199 Å²	199	148.3 Å²	148.3	87%	0.865	79%	0.789	S	S	*	*			trans	159.8	134.5	143.9	-90.8	154.3	-176.1	174.1	0	114.5
29	K	31.5	Very low	32.2	Very low	198 Å²	198	144.9 Å²	144.9	86%	0.861	79%	0.789	S	S	*	*			trans	-119	163.5	148.9	-77	-177.7	172.7	178.1	0	106.8
30	P	42.1	Very low	32	Very low	134 Å²	134	145 Å²	145	87%	0.87	80%	0.796	S	S	*	*				-142.4	-161	97.3	37.4	-20.6	0	0	0	112.8
31	A	30.4	Very low	31.8	Very low	106 Å²	106	143.3 Å²	143.3	88%	0.876	80%	0.798	S	S	*	*			trans	-133.5	164	-175.6	0	0	0	0	0	111.9
32	G	27.5	Very low	31.7	Very low	73 Å²	73	146.7 Å²	146.7	75%	0.753	80%	0.802	S	S	*	*			trans	158.7	113.7	163.5	0	0	0	0	0	117.9
33	R	28.1	Very low	31.2	Very low	206 Å²	206	144.3 Å²	144.3	78%	0.777	80%	0.8	S	S	*	*			trans	31.6	137.3	146.1	-77.4	-175	167.4	-133.5	-3.3	122.9
34	R	29.1	Very low	31.3	Very low	203 Å²	203	145.9 Å²	145.9	77%	0.766	81%	0.806	S	S	*	*			trans	63.3	136.1	143.2	-70.9	-174.4	174.1	-176.5	-3.9	116.1
35	E	25.9	Very low	32.4	Very low	187 Å²	187	144.4 Å²	144.4	87%	0.874	80%	0.799	S	S	*	*			cis	-154.1	-158.7	49.6	-83.1	-155.5	138.4	0	0	113.7
36	R	33.9	Very low	32.8	Very low	196 Å²	196	145.9 Å²	145.9	74%	0.74	80%	0.801	S	S	*	*			trans	-144.9	133	-173	170.1	-169.3	177.7	-158.8	3.2	111.4
37	P	42.3	Very low	33	Very low	124 Å²	124	147.8 Å²	147.8	81%	0.805	80%	0.803	S	S	*	*				-108.2	139.9	128.8	-8.4	27.7	0	0	0	109.4
38	K	32.3	Very low	32.9	Very low	156 Å²	156	148.9 Å²	148.9	68%	0.678	81%	0.81	S	S	*	*				60.2	91.8	51.9	-68.7	-171	178.5	179.2	0	112.4
39	N	28.8	Very low	32.9	Very low	173 Å²	173	143.1 Å²	143.1	93%	0.925	80%	0.799	S	S	*	*				-139.1	159.8	120.4	-105.7	-19.2	0	0	0	109
40	A	28.1	Very low	32.7	Very low	94 Å²	94	139.1 Å²	139.1	78%	0.777	80%	0.795	S	S	*	*			trans	-147.5	156.9	-177.7	0	0	0	0	0	109.4
41	V	28.7	Very low	32	Very low	147 Å²	147	140 Å²	140	89%	0.891	79%	0.792	S	S	*	*			trans	-153.1	145.6	144	135.6	0	0	0	0	106.9
42	K	29.3	Very low	31.9	Very low	186 Å²	186	138.4 Å²	138.4	81%	0.809	79%	0.786	S	S	*	*			trans	-95.1	168.6	175.9	-63.9	173.7	176.1	178.3	0	109.5
43	T	25.1	Very low	32	Very low	127 Å²	127	138.6 Å²	138.6	78%	0.779	79%	0.788	S	S	*	*				157	132.4	105.8	-67.1	0	0	0	0	111.9
44	T	34.4	Very low	31.9	Very low	129 Å²	129	136.9 Å²	136.9	79%	0.791	79%	0.787	S	S	*	*			trans	-130.3	163	158.1	50.2	0	0	0	0	107.4
45	P	58.3	Low	31.9	Very low	108 Å²	108	134.2 Å²	134.2	70%	0.701	78%	0.783	S	S	*	*			cis	-109.3	-144.9	-17.8	29.1	-7.5	0	0	0	109.7
46	P	41.1	Very low	32	Very low	123 Å²	123	131.7 Å²	131.7	80%	0.799	78%	0.775	S	S	*	*				-145	-176.6	85	40.7	-24.4	0	0	0	115
47	S	33.8	Very low	31.8	Very low	111 Å²	111	128 Å²	128	78%	0.776	77%	0.774	S	S	*	*			trans	-144.6	119.2	179.3	56	0	0	0	0	112.6
48	V	30.4	Very low	30.9	Very low	147 Å²	147	125 Å²	125	89%	0.891	77%	0.766	S	S	*	*			trans	-159.5	147.9	174.5	-176.5	0	0	0	0	106.9
49	A	29.1	Very low	31.8	Very low	78 Å²	78	123.4 Å²	123.4	65%	0.645	77%	0.772	S	S	*	*			cis	-169.9	-172.5	-34	0	0	0	0	0	107.4
50	C	28.1	Very low	31.8	Very low	114 Å²	114	120.8 Å²	120.8	77%	0.77	77%	0.767	S	S	*	*			trans	73.6	141.4	164	-60	0	0	0	0	117.6
51	D	26.5	Very low	31.7	Very low	151 Å²	151	123 Å²	123	81%	0.807	77%	0.765	S	S	*	*			cis	-159.2	163.3	-11	-127	-51.2	0	0	0	114.7
52	G	28.7	Very low	31.7	Very low	73 Å²	73	127.8 Å²	127.8	75%	0.753	77%	0.768	S	S	*	*			trans	71.6	142.9	171.6	0	0	0	0	0	116.3
53	G	29.1	Very low	31.5	Very low	77 Å²	77	124.2 Å²	124.2	79%	0.794	77%	0.766	S	S	*	*			cis	136.6	143	7.7	0	0	0	0	0	109
54	F	27.1	Very low	31.6	Very low	171 Å²	171	123.1 Å²	123.1	75%	0.75	77%	0.77	S	S	*	*			cis	-161.7	128	7.9	-172.5	-113	0	0	0	109.4
55	E	29.9	Very low	31.3	Very low	147 Å²	147	128.1 Å²	128.1	69%	0.687	77%	0.774	S	S	*	*			trans	55.4	158.1	139	-69.5	-165.4	-169.8	0	0	123.5
56	D	27.5	Very low	29.9	Very low	133 Å²	133	130.3 Å²	130.3	71%	0.711	78%	0.779	S	S	*	*			cis	-168.7	-173.8	-18.8	179.6	36.2	0	0	0	109.4
57	V	29.1	Very low	29.2	Very low	119 Å²	119	132.5 Å²	132.5	72%	0.721	78%	0.779	S	S	*	*			trans	88.8	90.9	156.6	-164.8	0	0	0	0	117.1
58	G	24.3	Very low	29.1	Very low	62 Å²	62	133.8 Å²	133.8	64%	0.639	78%	0.776	S	S	*	*			trans	-96.9	-165.9	130.1	0	0	0	0	0	110
59	P	50.3	Low	28.9	Very low	122 Å²	122	132.1 Å²	132.1	79%	0.792	77%	0.771	S	S	*	*			cis	-127.9	-178.9	-3.8	41.9	-27.9	0	0	0	112.7
60	S	28.1	Very low	28.8	Very low	117 Å²	117	134.1 Å²	134.1	82%	0.818	78%	0.776	S	S	*	*				174.4	138.9	121.8	-79.1	0	0	0	0	114.6
61	D	25.9	Very low	28.6	Very low	140 Å²	140	135.2 Å²	135.2	75%	0.749	78%	0.779	S	S	*	*			trans	-36.8	138.5	170.1	-174.1	-2.1	0	0	0	117.1
62	R	29.7	Very low	28.8	Very low	248 Å²	248	133.9 Å²	133.9	94%	0.936	78%	0.776	S	S	*	*			trans	-152.9	132	141	-114.9	172.4	-170.2	-160.2	1.1	113.1
63	S	25.7	Very low	28.6	Very low	111 Å²	111	135.8 Å²	135.8	78%	0.776	78%	0.778	S	S	*	*			trans	-76.2	148.2	176.3	-70.6	0	0	0	0	114.3
64	A	27.5	Very low	28.6	Very low	104 Å²	104	138 Å²	138	86%	0.86	78%	0.775	S	S	*	*			trans	-162	162.6	143.7	0	0	0	0	0	112.1
65	R	27.4	Very low	28.7	Very low	234 Å²	234	136.2 Å²	136.2	88%	0.883	78%	0.779	S	S	*	*			trans	-109.8	159.6	-178.1	-68.2	178.9	172.8	-166.6	-1.4	112.8
66	L	28	Very low	28.7	Very low	154 Å²	154	137.7 Å²	137.7	81%	0.806	79%	0.786	S	S	*	*			trans	-6.4	133.4	140.4	-52.4	157.4	0	0	0	114.5
67	Q	28.1	Very low	28.8	Very low	169 Å²	169	139.1 Å²	139.1	79%	0.79	79%	0.791	S	S	*	*				-173.2	178.8	74.3	-94.4	-154.6	3.6	0	0	114.9
68	L	30.4	Very low	28.8	Very low	138 Å²	138	142.7 Å²	142.7	72%	0.723	80%	0.8	S	S	*	*			trans	-30.1	152.1	166.4	-74.1	62.9	0	0	0	115.9
69	S	26.2	Very low	28.9	Very low	113 Å²	113	143.3 Å²	143.3	79%	0.79	81%	0.807	S	S	*	*				-174.2	147.7	80.5	38.2	0	0	0	0	117.5
70	T	27.2	Very low	28	Very low	120 Å²	120	146.5 Å²	146.5	74%	0.736	81%	0.811	S	S	*	*			trans	8.2	132.1	142.5	-43.1	0	0	0	0	120.9
71	T	24.6	Very low	27.7	Very low	137 Å²	137	150.2 Å²	150.2	84%	0.84	82%	0.816	S	S	*	*			trans	-142.8	147.3	131.5	18.4	0	0	0	0	110
72	V	29.8	Very low	27.7	Very low	123 Å²	123	151.8 Å²	151.8	75%	0.745	82%	0.818	S	S	*	*			trans	-126.7	137.3	168.9	170.8	0	0	0	0	106.7
73	S	24.9	Very low	28.1	Very low	113 Å²	113	144.9 Å²	144.9	79%	0.79	81%	0.805	S	S	*	*			trans	-139.4	130.9	171.4	-57.7	0	0	0	0	109.2
74	V	29.3	Very low	28.2	Very low	122 Å²	122	146.8 Å²	146.8	74%	0.739	80%	0.802	S	S	*	*			trans	-111.4	129.9	175.4	174.4	0	0	0	0	107.3
75	V	28.6	Very low	28.1	Very low	135 Å²	135	147.3 Å²	147.3	82%	0.818	79%	0.79	S	S	*	*			trans	-142.4	124.5	162.7	-173.8	0	0	0	0	107.6
76	E	30.9	Very low	28.1	Very low	178 Å²	178	146.7 Å²	146.7	83%	0.832	79%	0.788	S	S	*	*			trans	-105.6	133.2	164.9	-60.8	173.9	133	0	0	107.5
77	I	28.6	Very low	28.2	Very low	163 Å²	163	144.2 Å²	144.2	84%	0.836	78%	0.784	S	S	*	*			trans	-145.4	149.6	148.4	-68.1	-163.5	0	0	0	107
78	E	30	Very low	28.3	Very low	193 Å²	193	145.9 Å²	145.9	90%	0.902	79%	0.788	S	S	*	*			trans	-83.6	173.2	-166.6	-59.4	154.5	125.7	0	0	114.5
79	G	26.1	Very low	28.2	Very low	76 Å²	76	149 Å²	149	78%	0.784	80%	0.796	S	S	*	*			trans	-178.7	91.3	173.7	0	0	0	0	0	112.5
80	E	30.4	Very low	28.3	Very low	189 Å²	189	150 Å²	150	88%	0.883	80%	0.803	S	S	*	*			trans	-67.7	145.6	169	-76.6	-82.1	109.5	0	0	111.3
81	E	23	Very low	28.4	Very low	195 Å²	195	147.8 Å²	147.8	91%	0.911	80%	0.804	S	S	*	*			trans	-179.2	148.8	133.1	-88.1	-130.4	138.4	0	0	111
82	H	26	Very low	28.7	Very low	173 Å²	173	150.1 Å²	150.1	80%	0.801	81%	0.808	S	S	*	*			trans	-152	135.3	173.8	-169.3	-106.6	0	0	0	105.3
83	P	38.3	Very low	28.9	Very low	102 Å²	102	148.9 Å²	148.9	66%	0.662	81%	0.81	S	S	*	*				-161.1	-171.1	79.2	45.2	-23.9	0	0	0	118.6
84	E	27.2	Very low	29.6	Very low	151 Å²	151	155 Å²	155	71%	0.706	82%	0.816	S	S	*	*			trans	78.5	95.2	151.9	-67.6	-92.3	115.8	0	0	121.2
85	N	25.5	Very low	30.3	Very low	115 Å²	115	157.1 Å²	157.1	62%	0.615	82%	0.822	S	S	*	*				70.6	95.9	110.5	-160.8	6.2	0	0	0	121.1
86	R	27.7	Very low	31.3	Very low	222 Å²	222	155 Å²	155	84%	0.838	81%	0.813	S	S	*	*				171.2	122.3	117.1	-92.5	168	-175.9	-175.4	1.6	116.9
87	S	29.4	Very low	32.7	Very low	102 Å²	102	150.3 Å²	150.3	71%	0.713	80%	0.797	S	S	*	*			trans	38	108.7	139.4	-51	0	0	0	0	122.6
88	K	29.9	Very low	34.4	Very low	204 Å²	204	143.5 Å²	143.5	89%	0.887	77%	0.765	S	S	*	*				178.2	139.5	108.7	-93.8	153.6	-171.6	169.8	0	115.3
89	K	29.1	Very low	35.8	Very low	203 Å²	203	138.6 Å²	138.6	88%	0.883	74%	0.74	S	S	*	*			trans	3.4	141.5	161	-61.5	-180	178	179.9	0	121.6
90	S	28.8	Very low	37.5	Very low	135 Å²	135	135 Å²	135	94%	0.944	70%	0.703	S	S	*	*			trans	91.1	104.4	150.9	-157.2	0	0	0	0	118.1
91	G	27.7	Very low	39.2	Very low	73 Å²	73	128.5 Å²	128.5	75%	0.753	67%	0.671	S	S	*	*			trans	-164.4	129.7	165.8	0	0	0	0	0	109.5	A93	G91-A93 PolarHBondContact O-N 3.16Å
92	M	31.6	Very low	40.9	Very low	186 Å²	186	123.1 Å²	123.1	92%	0.916	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-66.8	129.2	-176	-75.5	163.4	53.9	0	0	111.5	R94	M92-R94 PolarHBondContact O-N 3.49Å; M92-R94 VanDerWaalsContact O-N 3.15Å
93	A	33.1	Very low	42.6	Very low	96 Å²	96	117.9 Å²	117.9	79%	0.793	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-58.4	118.8	171.8	0	0	0	0	0	110.1	G91 L95	G91-A93 PolarHBondContact O-N 3.16Å; A93-L95 PolarHBondContact O-N 3.31Å
94	R	41.2	Very low	43.7	Very low	243 Å²	243	118.9 Å²	118.9	92%	0.917	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-62.9	123.1	-177.9	-63.7	-178.3	-177.2	-179.8	1.7	109.5	M92 S96	M92-R94 PolarHBondContact O-N 3.49Å; M92-R94 VanDerWaalsContact O-N 3.15Å; R94-S96 PolarHBondContact O-N 2.98Å
95	L	42.6	Very low	45.4	Very low	165 Å²	165	113 Å²	113	86%	0.864	61%	0.605	S	S	*	*			trans	-63.9	106.1	174.7	-69.8	170.3	0	0	0	109.3	A93 T97	A93-L95 PolarHBondContact O-N 3.31Å; L95-T97 PolarHBondContact O-N 3.08Å
96	S	50.2	Low	47.1	Very low	90 Å²	90	114.7 Å²	114.7	63%	0.629	61%	0.607	S	S	*	*			trans	-68.4	89.1	-177.1	50.2	0	0	0	0	111.8	R94 A98 P109	R94-S96 PolarHBondContact O-N 2.98Å; S96-A98 PolarHBondContact O-N 2.82Å; S96-P109 VanDerWaalsContact O-CD 3.25Å; S96-P109 WeakPolarHBondContact O-CD 3.25Å; S96-P109 WeakPolarHBondContact O-CG 3.21Å
97	T	60.3	Low	48.8	Very low	80 Å²	80	106.8 Å²	106.8	49%	0.491	58%	0.579	S	S	.	*			trans	-72.6	115.7	172.4	56.2	0	0	0	0	109.7	L95	L95-T97 PolarHBondContact O-N 3.08Å
98	A	63.6	Low	50.5	Low	20 Å²	20	104.9 Å²	104.9	17%	0.165	57%	0.565	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.4	157	173.6	0	0	0	0	0	110.7	S96 F107 L112 F160	S96-A98 PolarHBondContact O-N 2.82Å; A98-F107 PolarHBondContact N-O 3.49Å; A98-F107 VanDerWaalsContact N-O 3.11Å; A98-F107 PolarHBondContact O-N 3.15Å; A98-L112 HydrophobicContact CB-CD1 3.44Å; A98-L112 VanDerWaalsContact CB-CD1 3.44Å; A98-F160 HydrophobicContact CB-CD2 4.35Å
99	F	59.7	Low	51.8	Low	90 Å²	90	98.1 Å²	98.1	40%	0.395	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	160.1	-173.9	-65	-104	0	0	0	110.8	H104 G105 K106 S158	F99-H104 WeakPolarHBondContact CD1-O 3.37Å; F99-G105 WeakPolarHBondContact CA-O 3.24Å; F99-K106 HydrophobicContact CD1-CG 3.92Å; F99-K106 HydrophobicContact CE1-CD 4.15Å; F99-K106 HydrophobicContact CE1-CG 3.45Å; F99-K106 VanDerWaalsContact CE1-CG 3.45Å; F99-K106 HydrophobicContact CZ-CD 4.28Å; F99-K106 HydrophobicContact CZ-CG 3.86Å; F99-S158 PolarHBondContact O-OG 3.12Å
100	C	62.9	Low	53.1	Low	0 Å²	0	99.9 Å²	99.9	0%	0	54%	0.543	C	S	.	.	P	Polyproline II helix	trans	-98.3	126.3	173.9	177.3	0	0	0	0	111.8	L102 C103 H104 G105 F107 L112 F160 C162 C165	C100-L102 PolarHBondContact O-N 3.29Å; C100-L102 VanDerWaalsContact O-N 3.11Å; C100-L102 PolarHBondContact SG-N 2.87Å; C100-L102 VanDerWaalsContact SG-N 3.43Å; C100-C103 VanDerWaalsContact CB-SG 3.55Å; C100-C103 PolarHBondContact O-N 3.26Å; C100-H104 VanDerWaalsContact O-CA 3.3Å; C100-H104 WeakPolarHBondContact O-CA 3.4Å; C100-H104 PolarHBondContact O-N 3.46Å; C100-G105 PolarHBondContact N-O 2.99Å; C100-F107 HydrophobicContact CB-CD2 4.09Å; C100-F107 HydrophobicContact CB-CE2 3.83Å; C100-L112 HydrophobicContact CB-CD2 4.32Å; C100-F160 CarbonylContact C-O 3.13Å; C100-F160 WeakPolarHBondContact CA-O 3.39Å; C100-C162 HydrophobicContact CB-CB 4.04Å; C100-C162 PolarHBondContact SG-N 3.45Å; C100-C165 PolarHBondContact SG-SG 3.23Å
101	R	64.9	Low	54.4	Low	54 Å²	54	102 Å²	102	20%	0.204	53%	0.53	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-21	177.2	-159.6	171.7	176.2	115.9	-2.8	114.9	D154 L157 S158 F160 V161	R101-D154 PolarHBondContact NH1-O 3.32Å; R101-D154 VanDerWaalsContact NH1-O 3.07Å; R101-L157 HydrophobicContact CG-CB 4.26Å; R101-L157 VanDerWaalsContact CZ-CB 3.46Å; R101-L157 VanDerWaalsContact NH1-CB 3.29Å; R101-L157 PolarHBondContact NH1-O 3.03Å; R101-S158 WeakPolarHBondContact CB-O 3.31Å; R101-S158 WeakPolarHBondContact CD-O 3.48Å; R101-F160 PolarHBondContact N-O 3.32Å; R101-V161 HydrophobicContact CB-CG2 4.17Å
102	L	59.8	Low	56.1	Low	81 Å²	81	99.5 Å²	99.5	42%	0.424	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-8.4	-176.3	-66.3	-179.5	0	0	0	115	C100 F139 V161 C165	C100-L102 PolarHBondContact O-N 3.29Å; C100-L102 VanDerWaalsContact O-N 3.11Å; C100-L102 PolarHBondContact SG-N 2.87Å; C100-L102 VanDerWaalsContact SG-N 3.43Å; L102-F139 HydrophobicContact CD1-CE2 3.97Å; L102-F139 HydrophobicContact CD1-CZ 3.69Å; L102-F139 HydrophobicContact CD2-CZ 4.36Å; L102-F139 HydrophobicContact CG-CZ 4.36Å; L102-V161 HydrophobicContact CD1-CG1 3.83Å; L102-V161 HydrophobicContact CD1-CG2 4.33Å; L102-V161 HydrophobicContact CG-CG1 4.4Å; L102-V161 HydrophobicContact CG-CG2 4.19Å; L102-C165 HydrophobicContact CB-CB 4.22Å; L102-C165 HydrophobicContact CD1-CB 4.02Å
103	C	61.4	Low	57.6	Low	63 Å²	63	97.2 Å²	97.2	43%	0.426	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-150.4	4.6	-179.5	71.4	0	0	0	0	114.8	C100 G105 C165	C100-C103 VanDerWaalsContact CB-SG 3.55Å; C100-C103 PolarHBondContact O-N 3.26Å; C103-G105 PolarHBondContact O-N 3.23Å; C103-C165 PolarHBondContact SG-SG 3.34Å
104	H	62.3	Low	58.9	Low	124 Å²	124	96.2 Å²	96.2	57%	0.574	46%	0.46	S	S	*	.			trans	53.7	5.9	176.1	-58.6	-99.3	0	0	0	116.2	F99 C100	F99-H104 WeakPolarHBondContact CD1-O 3.37Å; C100-H104 VanDerWaalsContact O-CA 3.3Å; C100-H104 WeakPolarHBondContact O-CA 3.4Å; C100-H104 PolarHBondContact O-N 3.46Å
105	G	62.8	Low	59.7	Low	26 Å²	26	84.8 Å²	84.8	27%	0.268	42%	0.417	S	S	.	.			trans	-66.8	143.1	175.5	0	0	0	0	0	112.6	F99 C100 C103 F107	F99-G105 WeakPolarHBondContact CA-O 3.24Å; C100-G105 PolarHBondContact N-O 2.99Å; C103-G105 PolarHBondContact O-N 3.23Å; G105-F107 WeakPolarHBondContact O-CD2 3.49Å; G105-F107 WeakPolarHBondContact O-CE2 3.5Å
106	K	59.7	Low	60.5	Low	151 Å²	151	77.6 Å²	77.6	66%	0.657	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77	127	172.6	-65.3	175.1	-176.2	178.7	0	109.7	F99	F99-K106 HydrophobicContact CD1-CG 3.92Å; F99-K106 HydrophobicContact CE1-CD 4.15Å; F99-K106 HydrophobicContact CE1-CG 3.45Å; F99-K106 VanDerWaalsContact CE1-CG 3.45Å; F99-K106 HydrophobicContact CZ-CD 4.28Å; F99-K106 HydrophobicContact CZ-CG 3.86Å
107	F	64	Low	60.4	Low	57 Å²	57	77 Å²	77	25%	0.25	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	153.3	178.4	-64.2	-79.6	0	0	0	111.9	A98 C100 G105 L112 C162	A98-F107 PolarHBondContact N-O 3.49Å; A98-F107 VanDerWaalsContact N-O 3.11Å; A98-F107 PolarHBondContact O-N 3.15Å; C100-F107 HydrophobicContact CB-CD2 4.09Å; C100-F107 HydrophobicContact CB-CE2 3.83Å; G105-F107 WeakPolarHBondContact O-CD2 3.49Å; G105-F107 WeakPolarHBondContact O-CE2 3.5Å; F107-L112 HydrophobicContact CB-CD1 4.06Å; F107-L112 HydrophobicContact CB-CD2 4.13Å; F107-L112 HydrophobicContact CB-CG 3.93Å; F107-L112 HydrophobicContact CD2-CD2 3.99Å; F107-L112 HydrophobicContact CG-CD2 4.35Å; F107-C162 HydrophobicContact CD2-CB 4.18Å; F107-C162 HydrophobicContact CE2-CB 3.78Å; F107-C162 HydrophobicContact CZ-CB 4.04Å
108	S	64.4	Low	59.4	Low	62 Å²	62	82.1 Å²	82.1	43%	0.434	38%	0.384	S	S	.	.			trans	-62.7	140.1	162.4	176.8	0	0	0	0	109.5	R110 R111	S108-R110 PolarHBondContact O-N 2.91Å; S108-R111 PolarHBondContact O-N 3.44Å
109	P	57.2	Low	57.9	Low	62 Å²	62	91.3 Å²	91.3	40%	0.403	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-50.4	-33.5	178.8	-30.8	36.8	0	0	0	113.8	S96 R111 L112	S96-P109 VanDerWaalsContact O-CD 3.25Å; S96-P109 WeakPolarHBondContact O-CD 3.25Å; S96-P109 WeakPolarHBondContact O-CG 3.21Å; P109-R111 PolarHBondContact O-N 3.41Å; P109-L112 PolarHBondContact O-N 3.34Å; P109-L112 VanDerWaalsContact O-N 3.16Å
110	R	57.3	Low	56.9	Low	240 Å²	240	92.9 Å²	92.9	91%	0.906	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-64.6	-7.1	178.1	-53.7	-175.6	-166.8	-113.9	4.1	114.8	S108	S108-R110 PolarHBondContact O-N 2.91Å
111	R	56.1	Low	55.8	Low	178 Å²	178	95.7 Å²	95.7	67%	0.672	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-111.9	1.6	177.8	-67.6	-169.7	174.4	-162.9	-0.5	114.2	S108 P109 K163	S108-R111 PolarHBondContact O-N 3.44Å; P109-R111 PolarHBondContact O-N 3.41Å; R111-K163 PolarHBondContact O-N 2.92Å
112	L	62.2	Low	54.4	Low	21 Å²	21	102.1 Å²	102.1	11%	0.11	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	153.7	-179.2	-68.6	164.9	0	0	0	110.5	A98 C100 F107 P109 F160 C162	A98-L112 HydrophobicContact CB-CD1 3.44Å; A98-L112 VanDerWaalsContact CB-CD1 3.44Å; C100-L112 HydrophobicContact CB-CD2 4.32Å; F107-L112 HydrophobicContact CB-CD1 4.06Å; F107-L112 HydrophobicContact CB-CD2 4.13Å; F107-L112 HydrophobicContact CB-CG 3.93Å; F107-L112 HydrophobicContact CD2-CD2 3.99Å; F107-L112 HydrophobicContact CG-CD2 4.35Å; P109-L112 PolarHBondContact O-N 3.34Å; P109-L112 VanDerWaalsContact O-N 3.16Å; L112-F160 HydrophobicContact CB-CB 4.09Å; L112-F160 HydrophobicContact CB-CD1 3.98Å; L112-F160 HydrophobicContact CB-CG 4.39Å; L112-F160 HydrophobicContact CD1-CB 4.08Å; L112-F160 HydrophobicContact CD1-CG 4.36Å; L112-F160 HydrophobicContact CD2-CB 4.08Å; L112-F160 HydrophobicContact CG-CB 4.31Å; L112-C162 HydrophobicContact CD2-CB 4.27Å
113	R	64.9	Low	53.1	Low	139 Å²	139	106.6 Å²	106.6	53%	0.525	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	148.3	164.9	-65	-170.6	179.2	-78.5	10.4	108.7	F160 V161	R113-F160 CarbonylContact O-C 3.58Å; R113-F160 VanDerWaalsContact O-CA 3.31Å; R113-F160 WeakPolarHBondContact O-CA 3.48Å; R113-V161 PolarHBondContact N-O 3.5Å; R113-V161 PolarHBondContact O-N 3.49Å
114	H	59.7	Low	52.1	Low	74 Å²	74	109 Å²	109	34%	0.343	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	138.5	167.9	-136.3	-108.6	0	0	0	109.1	F116 Q159 F160	H114-F116 PolarHBondContact ND1-O 3.44Å; H114-Q159 PolarHBondContact CE1-OE1 3.13Å; H114-Q159 PolarHBondContact NE2-OE1 2.66Å; H114-F160 AromaticContact CD2-CE1 3.54Å; H114-F160 AromaticContact CD2-CZ 3.68Å
115	A	58.3	Low	50.6	Low	3 Å²	3	106.2 Å²	106.2	3%	0.025	55%	0.548	C	S	.	.	S	Bend	trans	-90.3	-18.5	178.5	0	0	0	0	0	112.7	F139 Y140 Q159 V161	A115-F139 HydrophobicContact CB-CD1 4.17Å; A115-Y140 VanDerWaalsContact O-CB 3.29Å; A115-Y140 WeakPolarHBondContact O-CB 3.05Å; A115-Q159 WeakPolarHBondContact CB-O 3.31Å; A115-Q159 PolarHBondContact N-O 2.99Å; A115-V161 HydrophobicContact CB-CG2 3.88Å
116	F	57.9	Low	49.3	Very low	14 Å²	14	111.6 Å²	111.6	6%	0.061	58%	0.576	C	S	.	*	S	Bend	trans	-128.2	162.8	-171.5	-57.8	-80.4	0	0	0	110.9	H114 Y140 R153 Q159	H114-F116 PolarHBondContact ND1-O 3.44Å; F116-Y140 AromaticContact CD1-CD2 3.87Å; F116-Y140 HydrophobicContact CD1-CD2 3.87Å; F116-Y140 HydrophobicContact CD1-CE2 4.27Å; F116-Y140 HydrophobicContact CD1-CG 4.04Å; F116-Y140 AromaticContact CE1-CD2 3.39Å; F116-Y140 HydrophobicContact CE1-CD2 3.39Å; F116-Y140 AromaticContact CE1-CE2 3.58Å; F116-Y140 HydrophobicContact CE1-CE2 3.58Å; F116-Y140 HydrophobicContact CE1-CG 4.04Å; F116-Y140 HydrophobicContact CZ-CD2 4.32Å; F116-R153 HydrophobicContact CD1-CG 4.05Å; F116-R153 HydrophobicContact CE1-CG 3.86Å; F116-Q159 HydrophobicContact CD2-CB 4.11Å; F116-Q159 HydrophobicContact CD2-CG 4.45Å
117	D	49	Very low	48.5	Very low	78 Å²	78	110.2 Å²	110.2	42%	0.417	58%	0.582	S	S	.	*	P	Polyproline II helix	trans	-64.3	143.7	166.9	-55.4	-82.8	0	0	0	112.6	L138 R153	D117-L138 WeakPolarHBondContact OD1-CD1 3.17Å; D117-R153 PolarHBondContact O-NH1 2.8Å; D117-R153 IonicContact OD2-NH2 3.6Å
118	K	40.1	Very low	46.8	Very low	187 Å²	187	115 Å²	115	81%	0.813	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-64.6	131.8	152	-89	-163.1	167	-156.2	0	108
119	W	31	Very low	45.8	Very low	214 Å²	214	120.7 Å²	120.7	81%	0.811	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-72	137.1	171.6	-167.4	-92.9	0	0	0	110.3	G121	W119-G121 VanDerWaalsContact C-N 3.34Å; W119-G121 PolarHBondContact O-N 3.49Å
120	P	38.5	Very low	44.7	Very low	123 Å²	123	124 Å²	124	80%	0.799	65%	0.649	S	S	*	*	S	Bend	trans	-74	88.3	170.1	30.8	-32.6	0	0	0	109.5
121	G	40.4	Very low	44	Very low	59 Å²	59	121.3 Å²	121.3	61%	0.608	65%	0.647	S	S	*	*			trans	-136.4	6.1	-176.8	0	0	0	0	0	115.7	W119	W119-G121 VanDerWaalsContact C-N 3.34Å; W119-G121 PolarHBondContact O-N 3.49Å
122	E	34.5	Very low	42.8	Very low	188 Å²	188	118.2 Å²	118.2	88%	0.879	65%	0.65	S	S	*	*	S	Bend	trans	-142.2	53.8	-177.9	-92.6	-170.3	134.1	0	0	111.6
123	L	33.4	Very low	41.3	Very low	176 Å²	176	122 Å²	122	92%	0.921	68%	0.684	S	S	*	*			trans	-143.2	94.4	160	-83	-176.6	0	0	0	109.8
124	A	39.4	Very low	39.7	Very low	112 Å²	112	124.7 Å²	124.7	93%	0.926	70%	0.703	S	S	*	*			trans	-88.5	115.6	159.9	0	0	0	0	0	108.4
125	G	31.8	Very low	38.4	Very low	67 Å²	67	126.3 Å²	126.3	69%	0.691	72%	0.723	S	S	*	*	S	Bend	trans	137.6	100.8	169.2	0	0	0	0	0	115.9
126	V	34.6	Very low	37.6	Very low	139 Å²	139	131.4 Å²	131.4	84%	0.842	76%	0.755	S	S	*	*			trans	64.9	127.2	153.4	-168.1	0	0	0	0	117.9
127	P	43.1	Very low	37.3	Very low	122 Å²	122	136.8 Å²	136.8	79%	0.792	78%	0.784	S	S	*	*			trans	-88.1	146.7	168.3	35.6	-32.3	0	0	0	112.3
128	D	28	Very low	37.8	Very low	156 Å²	156	135.5 Å²	135.5	83%	0.834	78%	0.777	S	S	*	*			trans	-139	152.5	153.8	-166.2	11.9	0	0	0	109.4
129	Q	44.7	Very low	38.7	Very low	182 Å²	182	127.6 Å²	127.6	85%	0.85	74%	0.742	S	S	*	*			trans	-93.2	104.8	-165.9	-62.5	-176.9	36.8	0	0	111.9
130	T	33.6	Very low	39.9	Very low	131 Å²	131	119.1 Å²	119.1	80%	0.804	71%	0.711	S	S	*	*			trans	-149.1	123	159.1	-66.8	0	0	0	0	110.5	P132	T130-P132 WeakPolarHBondContact O-CD 3.36Å
131	E	42.8	Very low	40.8	Very low	184 Å²	184	115.5 Å²	115.5	86%	0.86	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-55	122.9	177.4	-75.9	-79	115.2	0	0	113.4
132	P	31.4	Very low	41.7	Very low	114 Å²	114	113.2 Å²	113.2	74%	0.74	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-99.8	126.2	167.7	33.8	-25.4	0	0	0	111.7	T130	T130-P132 WeakPolarHBondContact O-CD 3.36Å
133	A	29.6	Very low	42.6	Very low	100 Å²	100	107.6 Å²	107.6	83%	0.826	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-56.3	148.5	-174.9	0	0	0	0	0	115.5	S135	A133-S135 PolarHBondContact O-N 2.84Å
134	Q	32.6	Very low	43.6	Very low	195 Å²	195	102.3 Å²	102.3	91%	0.911	60%	0.604	S	S	*	*			trans	-20.3	107.5	172.9	-64.8	174.5	-5.8	0	0	115.2
135	S	32.1	Very low	44.5	Very low	109 Å²	109	104.7 Å²	104.7	76%	0.762	59%	0.589	S	S	*	*			trans	-64.9	138.1	171.3	52.5	0	0	0	0	111	A133	A133-S135 PolarHBondContact O-N 2.84Å
136	P	40.4	Very low	45.5	Very low	109 Å²	109	103.7 Å²	103.7	71%	0.708	57%	0.567	S	S	*	*			trans	-71.4	136.1	-173.1	27.9	-34.7	0	0	0	112.1	L138	P136-L138 PolarHBondContact O-N 3.3Å
137	L	52.3	Low	46.2	Very low	128 Å²	128	100.6 Å²	100.6	67%	0.67	55%	0.548	S	S	*	.			trans	-45.1	132	177.8	-69.4	165.6	0	0	0	112.5
138	L	60	Low	46.2	Very low	51 Å²	51	98 Å²	98	27%	0.267	54%	0.544	S	S	.	.			trans	-98.2	139.1	-164.7	-63.9	165.1	0	0	0	111.9	D117 P136 Y140 T141 D142	D117-L138 WeakPolarHBondContact OD1-CD1 3.17Å; P136-L138 PolarHBondContact O-N 3.3Å; L138-Y140 PolarHBondContact O-N 3.05Å; L138-Y140 VanDerWaalsContact O-N 3.12Å; L138-T141 PolarHBondContact N-OG1 2.87Å; L138-T141 PolarHBondContact O-N 3.44Å; L138-T141 PolarHBondContact O-OG1 3.17Å; L138-D142 PolarHBondContact O-N 3.16Å; L138-D142 VanDerWaalsContact O-N 3.13Å
139	F	58.9	Low	46.7	Very low	20 Å²	20	94.7 Å²	94.7	9%	0.088	53%	0.529	C	S	.	.	H	α-helix	trans	-47.2	-44.1	177.4	171.3	-88.9	0	0	0	112.5	L102 A115 F143 V161 F169 Y170	L102-F139 HydrophobicContact CD1-CE2 3.97Å; L102-F139 HydrophobicContact CD1-CZ 3.69Å; L102-F139 HydrophobicContact CD2-CZ 4.36Å; L102-F139 HydrophobicContact CG-CZ 4.36Å; A115-F139 HydrophobicContact CB-CD1 4.17Å; F139-F143 HydrophobicContact CE1-CB 4.44Å; F139-F143 HydrophobicContact CZ-CD2 4.44Å; F139-F143 VanDerWaalsContact O-CB 3.23Å; F139-F143 WeakPolarHBondContact O-CB 3.29Å; F139-F143 PolarHBondContact O-N 2.88Å; F139-V161 HydrophobicContact CD1-CG2 4.43Å; F139-V161 HydrophobicContact CE1-CG2 4.27Å; F139-F169 HydrophobicContact CD2-CB 4.47Å; F139-F169 AromaticContact CD2-CD1 3.6Å; F139-F169 HydrophobicContact CD2-CD1 3.6Å; F139-F169 HydrophobicContact CD2-CE1 4.15Å; F139-F169 HydrophobicContact CD2-CG 4.15Å; F139-F169 HydrophobicContact CE2-CB 3.77Å; F139-F169 AromaticContact CE2-CD1 3.47Å; F139-F169 HydrophobicContact CE2-CD1 3.47Å; F139-F169 VanDerWaalsContact CE2-CD1 3.47Å; F139-F169 HydrophobicContact CE2-CD2 4.24Å; F139-F169 HydrophobicContact CE2-CE1 4.15Å; F139-F169 AromaticContact CE2-CG 3.53Å; F139-F169 HydrophobicContact CE2-CG 3.53Å; F139-F169 HydrophobicContact CZ-CG 4.42Å; F139-Y170 WeakPolarHBondContact CA-OH 3.2Å; F139-Y170 HydrophobicContact CD2-CE2 4.37Å
140	Y	55.8	Low	46.4	Very low	37 Å²	37	90.7 Å²	90.7	15%	0.145	52%	0.519	C	S	.	.	H	α-helix	trans	-64.6	-46.2	179.2	-177.6	-101.3	0	0	0	113.2	A115 F116 L138 D142 F143 Q144 L151	A115-Y140 VanDerWaalsContact O-CB 3.29Å; A115-Y140 WeakPolarHBondContact O-CB 3.05Å; F116-Y140 AromaticContact CD1-CD2 3.87Å; F116-Y140 HydrophobicContact CD1-CD2 3.87Å; F116-Y140 HydrophobicContact CD1-CE2 4.27Å; F116-Y140 HydrophobicContact CD1-CG 4.04Å; F116-Y140 AromaticContact CE1-CD2 3.39Å; F116-Y140 HydrophobicContact CE1-CD2 3.39Å; F116-Y140 AromaticContact CE1-CE2 3.58Å; F116-Y140 HydrophobicContact CE1-CE2 3.58Å; F116-Y140 HydrophobicContact CE1-CG 4.04Å; F116-Y140 HydrophobicContact CZ-CD2 4.32Å; L138-Y140 PolarHBondContact O-N 3.05Å; L138-Y140 VanDerWaalsContact O-N 3.12Å; Y140-D142 VanDerWaalsContact C-N 3.32Å; Y140-D142 PolarHBondContact O-N 2.89Å; Y140-F143 PolarHBondContact O-N 3.41Å; Y140-Q144 WeakPolarHBondContact O-CB 3.41Å; Y140-Q144 PolarHBondContact O-N 2.77Å; Y140-L151 HydrophobicContact CE2-CB 3.97Å; Y140-L151 HydrophobicContact CE2-CD1 4.33Å; Y140-L151 VanDerWaalsContact OH-C 3.31Å; Y140-L151 PolarHBondContact OH-O 2.97Å
141	T	57.3	Low	47.1	Very low	47 Å²	47	87.1 Å²	87.1	29%	0.288	49%	0.494	S	S	.	.	H	α-helix	trans	-65.2	-35.7	-179.4	48.5	0	0	0	0	112.3	L138 R145	L138-T141 PolarHBondContact N-OG1 2.87Å; L138-T141 PolarHBondContact O-N 3.44Å; L138-T141 PolarHBondContact O-OG1 3.17Å; T141-R145 WeakPolarHBondContact O-CB 3.27Å; T141-R145 WeakPolarHBondContact O-CD 3.3Å; T141-R145 WeakPolarHBondContact O-CG 3.31Å; T141-R145 PolarHBondContact O-N 3.19Å
142	D	59.1	Low	47.1	Very low	11 Å²	11	85.5 Å²	85.5	6%	0.059	49%	0.492	C	S	.	.	H	α-helix	trans	-78.4	-33.4	177.8	-65.2	-25.1	0	0	0	112.1	L138 Y140 R145 L146 F169 Y170	L138-D142 PolarHBondContact O-N 3.16Å; L138-D142 VanDerWaalsContact O-N 3.13Å; Y140-D142 VanDerWaalsContact C-N 3.32Å; Y140-D142 PolarHBondContact O-N 2.89Å; D142-R145 PolarHBondContact O-N 2.85Å; D142-R145 IonicContact OD1-CZ 3.29Å; D142-R145 IonicContact OD1-NH1 2.84Å; D142-R145 PolarHBondContact OD1-NH1 3.47Å; D142-L146 WeakPolarHBondContact O-CB 3.36Å; D142-L146 PolarHBondContact O-N 2.99Å; D142-F169 HydrophobicContact CB-CE1 4.26Å; D142-F169 HydrophobicContact CB-CZ 4.5Å; D142-Y170 HydrophobicContact CB-CE1 4.24Å; D142-Y170 VanDerWaalsContact OD2-CE1 3.31Å; D142-Y170 WeakPolarHBondContact OD2-CE1 3.33Å; D142-Y170 PolarHBondContact OD2-OH 3.42Å
143	F	53.4	Low	48	Very low	70 Å²	70	85.3 Å²	85.3	31%	0.307	48%	0.476	S	S	.	.	H	α-helix	trans	-66.1	-41.8	171.4	-174.3	-101.1	0	0	0	111.6	F139 Y140 L146 V147 L151 F169	F139-F143 HydrophobicContact CE1-CB 4.44Å; F139-F143 HydrophobicContact CZ-CD2 4.44Å; F139-F143 VanDerWaalsContact O-CB 3.23Å; F139-F143 WeakPolarHBondContact O-CB 3.29Å; F139-F143 PolarHBondContact O-N 2.88Å; Y140-F143 PolarHBondContact O-N 3.41Å; F143-L146 PolarHBondContact O-N 3.29Å; F143-V147 HydrophobicContact CE1-CG2 4.27Å; F143-V147 HydrophobicContact CE2-CG2 4.44Å; F143-V147 HydrophobicContact CZ-CG2 4.18Å; F143-V147 WeakPolarHBondContact O-CG2 3.45Å; F143-V147 PolarHBondContact O-N 3.28Å; F143-V147 VanDerWaalsContact O-N 3.09Å; F143-L151 HydrophobicContact CD1-CD1 3.35Å; F143-L151 HydrophobicContact CE1-CD1 3.54Å; F143-F169 HydrophobicContact CB-CE2 4.31Å; F143-F169 HydrophobicContact CB-CZ 3.99Å; F143-F169 HydrophobicContact CD2-CD2 4.17Å; F143-F169 AromaticContact CD2-CE2 3.65Å; F143-F169 HydrophobicContact CD2-CE2 3.65Å; F143-F169 HydrophobicContact CD2-CZ 4.2Å; F143-F169 HydrophobicContact CG-CE2 4.47Å
144	Q	55.4	Low	48.9	Very low	65 Å²	65	83.7 Å²	83.7	30%	0.304	45%	0.454	S	S	.	.	H	α-helix	trans	-63.5	-42.4	173.6	-174.1	177.5	-17.2	0	0	112	Y140 L146 V147 G148 L151	Y140-Q144 WeakPolarHBondContact O-CB 3.41Å; Y140-Q144 PolarHBondContact O-N 2.77Å; Q144-L146 VanDerWaalsContact C-N 3.3Å; Q144-L146 PolarHBondContact O-N 2.99Å; Q144-V147 PolarHBondContact O-N 3.24Å; Q144-G148 PolarHBondContact O-N 2.87Å; Q144-L151 HydrophobicContact CB-CD1 4.44Å
145	R	57.8	Low	49.7	Very low	162 Å²	162	80 Å²	80	61%	0.611	45%	0.447	S	S	*	.	H	α-helix	trans	-61.8	-34.2	173.3	-76	164.2	177	157.7	-2.9	113.3	T141 D142	T141-R145 WeakPolarHBondContact O-CB 3.27Å; T141-R145 WeakPolarHBondContact O-CD 3.3Å; T141-R145 WeakPolarHBondContact O-CG 3.31Å; T141-R145 PolarHBondContact O-N 3.19Å; D142-R145 PolarHBondContact O-N 2.85Å; D142-R145 IonicContact OD1-CZ 3.29Å; D142-R145 IonicContact OD1-NH1 2.84Å; D142-R145 PolarHBondContact OD1-NH1 3.47Å
146	L	53.2	Low	50.2	Low	46 Å²	46	86 Å²	86	24%	0.241	45%	0.452	C	S	.	.	H	α-helix	trans	-74.6	-35.1	179.9	-167.9	67.2	0	0	0	112.8	D142 F143 Q144 F169 L176	D142-L146 WeakPolarHBondContact O-CB 3.36Å; D142-L146 PolarHBondContact O-N 2.99Å; F143-L146 PolarHBondContact O-N 3.29Å; Q144-L146 VanDerWaalsContact C-N 3.3Å; Q144-L146 PolarHBondContact O-N 2.99Å; L146-F169 HydrophobicContact CD2-CE2 3.69Å; L146-F169 HydrophobicContact CD2-CZ 4.25Å; L146-L176 HydrophobicContact CD1-CB 3.84Å; L146-L176 HydrophobicContact CD1-CD2 3.67Å; L146-L176 HydrophobicContact CD1-CG 4.4Å; L146-L176 HydrophobicContact CD2-CD2 4.2Å; L146-L176 HydrophobicContact CG-CD2 4.06Å
147	V	49.2	Very low	50.8	Low	74 Å²	74	83.6 Å²	83.6	45%	0.448	43%	0.434	S	S	.	.	H	α-helix	trans	-87.7	-24.5	-178.8	177.5	0	0	0	0	112	F143 Q144 V149	F143-V147 HydrophobicContact CE1-CG2 4.27Å; F143-V147 HydrophobicContact CE2-CG2 4.44Å; F143-V147 HydrophobicContact CZ-CG2 4.18Å; F143-V147 WeakPolarHBondContact O-CG2 3.45Å; F143-V147 PolarHBondContact O-N 3.28Å; F143-V147 VanDerWaalsContact O-N 3.09Å; Q144-V147 PolarHBondContact O-N 3.24Å; V147-V149 HydrophobicContact CG1-CB 4.27Å; V147-V149 HydrophobicContact CG1-CG2 4.41Å; V147-V149 PolarHBondContact O-N 2.9Å
148	G	43.5	Very low	51.1	Low	68 Å²	68	79.3 Å²	79.3	70%	0.701	41%	0.414	S	S	*	.			trans	76.6	-1.3	177.3	0	0	0	0	0	115.2	Q144	Q144-G148 PolarHBondContact O-N 2.87Å
149	V	37.9	Very low	51	Low	85 Å²	85	81.4 Å²	81.4	52%	0.515	42%	0.423	S	S	.	.	S	Bend	trans	-116.4	137	-177.7	-177.3	0	0	0	0	109.2	V147 L151	V147-V149 HydrophobicContact CG1-CB 4.27Å; V147-V149 HydrophobicContact CG1-CG2 4.41Å; V147-V149 PolarHBondContact O-N 2.9Å; V149-L151 PolarHBondContact O-N 3.36Å
150	P	39.3	Very low	51.3	Low	98 Å²	98	83.6 Å²	83.6	64%	0.636	43%	0.432	S	S	*	.			trans	-62.7	128.1	171.9	27.3	-34.4	0	0	0	110.6
151	L	47.7	Very low	51.8	Low	56 Å²	56	82 Å²	82	29%	0.293	43%	0.426	S	S	.	.			trans	-94.6	154.1	177	-62.4	165.2	0	0	0	109.4	Y140 F143 Q144 V149	Y140-L151 HydrophobicContact CE2-CB 3.97Å; Y140-L151 HydrophobicContact CE2-CD1 4.33Å; Y140-L151 VanDerWaalsContact OH-C 3.31Å; Y140-L151 PolarHBondContact OH-O 2.97Å; F143-L151 HydrophobicContact CD1-CD1 3.35Å; F143-L151 HydrophobicContact CE1-CD1 3.54Å; Q144-L151 HydrophobicContact CB-CD1 4.44Å; V149-L151 PolarHBondContact O-N 3.36Å
152	N	42.5	Very low	52.4	Low	151 Å²	151	80 Å²	80	81%	0.807	41%	0.414	S	S	*	.			trans	-105.4	141.9	174	-79	-36.5	0	0	0	111.1	D154	N152-D154 VanDerWaalsContact C-N 3.33Å; N152-D154 PolarHBondContact O-N 3.17Å
153	R	50.8	Low	52.8	Low	110 Å²	110	84 Å²	84	42%	0.415	43%	0.431	S	S	.	.			trans	-76.3	79.7	178.7	-70.6	-168.5	179.8	-159.6	1.4	110.7	F116 D117 P155	F116-R153 HydrophobicContact CD1-CG 4.05Å; F116-R153 HydrophobicContact CE1-CG 3.86Å; D117-R153 PolarHBondContact O-NH1 2.8Å; D117-R153 IonicContact OD2-NH2 3.6Å; R153-P155 WeakPolarHBondContact O-CD 3.49Å
154	D	48.7	Very low	53.1	Low	65 Å²	65	86.4 Å²	86.4	35%	0.348	45%	0.447	S	S	.	.			trans	-57	116.9	168.8	178.3	-0.6	0	0	0	110.3	R101 N152 R156 L157	R101-D154 PolarHBondContact NH1-O 3.32Å; R101-D154 VanDerWaalsContact NH1-O 3.07Å; N152-D154 VanDerWaalsContact C-N 3.33Å; N152-D154 PolarHBondContact O-N 3.17Å; D154-R156 VanDerWaalsContact C-N 3.34Å; D154-R156 WeakPolarHBondContact OD1-CB 3.33Å; D154-R156 PolarHBondContact OD1-N 3.19Å; D154-L157 HydrophobicContact CB-CD1 4.39Å
155	P	49.5	Very low	53.4	Low	118 Å²	118	84.1 Å²	84.1	77%	0.766	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-21.6	-179.6	-16.5	31.9	0	0	0	114.3	R153 L157	R153-P155 WeakPolarHBondContact O-CD 3.49Å; P155-L157 PolarHBondContact O-N 2.88Å
156	R	41.9	Very low	53.8	Low	234 Å²	234	78.5 Å²	78.5	88%	0.883	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-18.7	-176.6	-55.3	-176.9	75	169.7	3.6	112.3	D154	D154-R156 VanDerWaalsContact C-N 3.34Å; D154-R156 WeakPolarHBondContact OD1-CB 3.33Å; D154-R156 PolarHBondContact OD1-N 3.19Å
157	L	53.6	Low	54.2	Low	60 Å²	60	79.2 Å²	79.2	31%	0.314	43%	0.425	S	S	.	.	S	Bend	trans	-98.3	130.8	179.8	-73.3	175.1	0	0	0	111.6	R101 D154 P155	R101-L157 HydrophobicContact CG-CB 4.26Å; R101-L157 VanDerWaalsContact CZ-CB 3.46Å; R101-L157 VanDerWaalsContact NH1-CB 3.29Å; R101-L157 PolarHBondContact NH1-O 3.03Å; D154-L157 HydrophobicContact CB-CD1 4.39Å; P155-L157 PolarHBondContact O-N 2.88Å
158	S	56.9	Low	54.7	Low	38 Å²	38	83 Å²	83	27%	0.266	44%	0.435	S	S	.	.			trans	-53.3	140.7	-173	-160.5	0	0	0	0	113.5	F99 R101 F160	F99-S158 PolarHBondContact O-OG 3.12Å; R101-S158 WeakPolarHBondContact CB-O 3.31Å; R101-S158 WeakPolarHBondContact CD-O 3.48Å; S158-F160 PolarHBondContact O-N 3.35Å; S158-F160 VanDerWaalsContact O-N 3.12Å
159	Q	59.8	Low	55.6	Low	95 Å²	95	80.8 Å²	80.8	44%	0.444	41%	0.407	S	S	.	.	S	Bend	trans	-77	6.7	-176.7	-56.9	-176.4	23	0	0	113.7	H114 A115 F116	H114-Q159 PolarHBondContact CE1-OE1 3.13Å; H114-Q159 PolarHBondContact NE2-OE1 2.66Å; A115-Q159 WeakPolarHBondContact CB-O 3.31Å; A115-Q159 PolarHBondContact N-O 2.99Å; F116-Q159 HydrophobicContact CD2-CB 4.11Å; F116-Q159 HydrophobicContact CD2-CG 4.45Å
160	F	63.7	Low	56.9	Low	66 Å²	66	79.3 Å²	79.3	29%	0.289	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	144.3	-168.7	-66.1	-88	0	0	0	113	A98 C100 R101 L112 R113 H114 S158	A98-F160 HydrophobicContact CB-CD2 4.35Å; C100-F160 CarbonylContact C-O 3.13Å; C100-F160 WeakPolarHBondContact CA-O 3.39Å; R101-F160 PolarHBondContact N-O 3.32Å; L112-F160 HydrophobicContact CB-CB 4.09Å; L112-F160 HydrophobicContact CB-CD1 3.98Å; L112-F160 HydrophobicContact CB-CG 4.39Å; L112-F160 HydrophobicContact CD1-CB 4.08Å; L112-F160 HydrophobicContact CD1-CG 4.36Å; L112-F160 HydrophobicContact CD2-CB 4.08Å; L112-F160 HydrophobicContact CG-CB 4.31Å; R113-F160 CarbonylContact O-C 3.58Å; R113-F160 VanDerWaalsContact O-CA 3.31Å; R113-F160 WeakPolarHBondContact O-CA 3.48Å; H114-F160 AromaticContact CD2-CE1 3.54Å; H114-F160 AromaticContact CD2-CZ 3.68Å; S158-F160 PolarHBondContact O-N 3.35Å; S158-F160 VanDerWaalsContact O-N 3.12Å
161	V	65.9	Low	57.7	Low	2 Å²	2	81.3 Å²	81.3	1%	0.012	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	137.4	175.9	169.7	0	0	0	0	110.5	R101 L102 R113 A115 F139 C165 H166	R101-V161 HydrophobicContact CB-CG2 4.17Å; L102-V161 HydrophobicContact CD1-CG1 3.83Å; L102-V161 HydrophobicContact CD1-CG2 4.33Å; L102-V161 HydrophobicContact CG-CG1 4.4Å; L102-V161 HydrophobicContact CG-CG2 4.19Å; R113-V161 PolarHBondContact N-O 3.5Å; R113-V161 PolarHBondContact O-N 3.49Å; A115-V161 HydrophobicContact CB-CG2 3.88Å; F139-V161 HydrophobicContact CD1-CG2 4.43Å; F139-V161 HydrophobicContact CE1-CG2 4.27Å; V161-C165 HydrophobicContact CG1-CB 3.81Å; V161-H166 HydrophobicContact CG1-CB 4.17Å
162	C	69.8	Low	57.8	Low	6 Å²	6	82 Å²	82	4%	0.041	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	145.9	-177.8	96.8	0	0	0	0	112.3	C100 F107 L112 N164 C165 H166	C100-C162 HydrophobicContact CB-CB 4.04Å; C100-C162 PolarHBondContact SG-N 3.45Å; F107-C162 HydrophobicContact CD2-CB 4.18Å; F107-C162 HydrophobicContact CE2-CB 3.78Å; F107-C162 HydrophobicContact CZ-CB 4.04Å; L112-C162 HydrophobicContact CD2-CB 4.27Å; C162-N164 VanDerWaalsContact C-N 3.26Å; C162-N164 PolarHBondContact O-N 2.75Å; C162-C165 HydrophobicContact CB-CB 4.11Å; C162-C165 WeakPolarHBondContact CB-SG 3.3Å; C162-C165 WeakPolarHBondContact O-CA 3.4Å; C162-C165 VanDerWaalsContact O-CB 3.26Å; C162-C165 WeakPolarHBondContact O-CB 3.19Å; C162-C165 PolarHBondContact O-N 3.08Å; C162-C165 WeakPolarHBondContact SG-CB 3.25Å; C162-C165 PolarHBondContact SG-N 3.46Å; C162-C165 CovalentContact SG-SG 2.06Å; C162-C165 PolarHBondContact SG-SG 3.41Å; C162-H166 PolarHBondContact O-N 3.48Å
163	K	69.3	Low	58.4	Low	96 Å²	96	75.7 Å²	75.7	42%	0.417	37%	0.365	S	S	.	.	H	α-helix	trans	-52.9	-42.5	179.8	-172.7	175.8	179	178.1	0	112.4	R111 C165 T167	R111-K163 PolarHBondContact O-N 2.92Å; K163-C165 PolarHBondContact O-N 3.22Å; K163-T167 WeakPolarHBondContact O-CG2 3.37Å; K163-T167 PolarHBondContact O-N 3.02Å; K163-T167 PolarHBondContact O-OG1 3.42Å
164	N	59.4	Low	58.5	Low	119 Å²	119	74.4 Å²	74.4	64%	0.636	37%	0.37	S	S	*	.	H	α-helix	trans	-63.1	-44	177.6	-65.6	5	0	0	0	111.7	C162 T167 K168	C162-N164 VanDerWaalsContact C-N 3.26Å; C162-N164 PolarHBondContact O-N 2.75Å; N164-T167 WeakPolarHBondContact CA-OG1 3.43Å; N164-T167 CarbonylContact O-C 3.53Å; N164-T167 PolarHBondContact O-N 2.98Å; N164-T167 PolarHBondContact O-OG1 2.79Å; N164-K168 PolarHBondContact O-N 2.99Å
165	C	60.5	Low	58.5	Low	17 Å²	17	76.7 Å²	76.7	12%	0.115	38%	0.381	C	S	.	.	H	α-helix	trans	-61	-49.4	-179.6	-49.3	0	0	0	0	110.6	C100 L102 C103 V161 C162 K163 T167 K168 F169	C100-C165 PolarHBondContact SG-SG 3.23Å; L102-C165 HydrophobicContact CB-CB 4.22Å; L102-C165 HydrophobicContact CD1-CB 4.02Å; C103-C165 PolarHBondContact SG-SG 3.34Å; V161-C165 HydrophobicContact CG1-CB 3.81Å; C162-C165 HydrophobicContact CB-CB 4.11Å; C162-C165 WeakPolarHBondContact CB-SG 3.3Å; C162-C165 WeakPolarHBondContact O-CA 3.4Å; C162-C165 VanDerWaalsContact O-CB 3.26Å; C162-C165 WeakPolarHBondContact O-CB 3.19Å; C162-C165 PolarHBondContact O-N 3.08Å; C162-C165 WeakPolarHBondContact SG-CB 3.25Å; C162-C165 PolarHBondContact SG-N 3.46Å; C162-C165 CovalentContact SG-SG 2.06Å; C162-C165 PolarHBondContact SG-SG 3.41Å; K163-C165 PolarHBondContact O-N 3.22Å; C165-T167 PolarHBondContact O-N 3.25Å; C165-K168 PolarHBondContact O-N 2.76Å; C165-F169 PolarHBondContact O-N 2.87Å
166	H	65.9	Low	58.4	Low	45 Å²	45	74.9 Å²	74.9	21%	0.208	36%	0.364	C	S	.	.	H	α-helix	trans	-57.6	-44	172.6	-171	-62.6	0	0	0	112	V161 C162 F169 Y170	V161-H166 HydrophobicContact CG1-CB 4.17Å; C162-H166 PolarHBondContact O-N 3.48Å; H166-F169 PolarHBondContact O-N 2.95Å; H166-Y170 AromaticContact CE1-CD2 3.43Å; H166-Y170 VanDerWaalsContact CE1-CD2 3.43Å; H166-Y170 WeakPolarHBondContact CE1-CD2 3.36Å; H166-Y170 AromaticContact CE1-CE2 3.33Å; H166-Y170 WeakPolarHBondContact CE1-CE2 3.23Å; H166-Y170 AromaticContact ND1-CD2 3.42Å; H166-Y170 WeakPolarHBondContact ND1-CD2 3.29Å; H166-Y170 AromaticContact ND1-CE2 3.76Å; H166-Y170 AromaticContact NE2-CE2 3.83Å; H166-Y170 WeakPolarHBondContact O-CD2 3.42Å; H166-Y170 PolarHBondContact O-N 3.46Å
167	T	62.9	Low	59	Low	61 Å²	61	67.1 Å²	67.1	37%	0.374	34%	0.34	S	S	.	.	H	α-helix	trans	-72.6	-24.6	177.1	60.6	0	0	0	0	114.3	K163 N164 C165 K171	K163-T167 WeakPolarHBondContact O-CG2 3.37Å; K163-T167 PolarHBondContact O-N 3.02Å; K163-T167 PolarHBondContact O-OG1 3.42Å; N164-T167 WeakPolarHBondContact CA-OG1 3.43Å; N164-T167 CarbonylContact O-C 3.53Å; N164-T167 PolarHBondContact O-N 2.98Å; N164-T167 PolarHBondContact O-OG1 2.79Å; C165-T167 PolarHBondContact O-N 3.25Å; T167-K171 VanDerWaalsContact O-CD 3.31Å; T167-K171 WeakPolarHBondContact O-CD 3.3Å; T167-K171 WeakPolarHBondContact O-CG 3.47Å; T167-K171 PolarHBondContact O-N 3.43Å
168	K	60.2	Low	58.6	Low	152 Å²	152	66.7 Å²	66.7	66%	0.661	34%	0.34	S	S	*	.	H	α-helix	trans	-70.6	-51.7	169.7	-81.1	-169	172.6	-168.3	0	109.6	N164 C165 Y170 K171 C172	N164-K168 PolarHBondContact O-N 2.99Å; C165-K168 PolarHBondContact O-N 2.76Å; K168-Y170 PolarHBondContact O-N 3.12Å; K168-K171 WeakPolarHBondContact O-CB 3.39Å; K168-K171 PolarHBondContact O-N 3.46Å; K168-K171 VanDerWaalsContact O-N 3.16Å; K168-C172 PolarHBondContact O-N 3.42Å; K168-C172 PolarHBondContact O-SG 2.92Å; K168-C172 VanDerWaalsContact O-SG 3.38Å
169	F	61.9	Low	57.9	Low	23 Å²	23	69.9 Å²	69.9	10%	0.101	35%	0.349	C	S	.	.	H	α-helix	trans	-52.5	-54.9	178	172.6	-107.8	0	0	0	111.8	F139 D142 F143 L146 C165 H166 K171 C172 H173	F139-F169 HydrophobicContact CD2-CB 4.47Å; F139-F169 AromaticContact CD2-CD1 3.6Å; F139-F169 HydrophobicContact CD2-CD1 3.6Å; F139-F169 HydrophobicContact CD2-CE1 4.15Å; F139-F169 HydrophobicContact CD2-CG 4.15Å; F139-F169 HydrophobicContact CE2-CB 3.77Å; F139-F169 AromaticContact CE2-CD1 3.47Å; F139-F169 HydrophobicContact CE2-CD1 3.47Å; F139-F169 VanDerWaalsContact CE2-CD1 3.47Å; F139-F169 HydrophobicContact CE2-CD2 4.24Å; F139-F169 HydrophobicContact CE2-CE1 4.15Å; F139-F169 AromaticContact CE2-CG 3.53Å; F139-F169 HydrophobicContact CE2-CG 3.53Å; F139-F169 HydrophobicContact CZ-CG 4.42Å; D142-F169 HydrophobicContact CB-CE1 4.26Å; D142-F169 HydrophobicContact CB-CZ 4.5Å; F143-F169 HydrophobicContact CB-CE2 4.31Å; F143-F169 HydrophobicContact CB-CZ 3.99Å; F143-F169 HydrophobicContact CD2-CD2 4.17Å; F143-F169 AromaticContact CD2-CE2 3.65Å; F143-F169 HydrophobicContact CD2-CE2 3.65Å; F143-F169 HydrophobicContact CD2-CZ 4.2Å; F143-F169 HydrophobicContact CG-CE2 4.47Å; L146-F169 HydrophobicContact CD2-CE2 3.69Å; L146-F169 HydrophobicContact CD2-CZ 4.25Å; C165-F169 PolarHBondContact O-N 2.87Å; H166-F169 PolarHBondContact O-N 2.95Å; F169-K171 VanDerWaalsContact C-N 3.28Å; F169-K171 PolarHBondContact O-N 3.29Å; F169-C172 CarbonylContact O-C 3.58Å; F169-C172 PolarHBondContact O-N 2.95Å; F169-H173 HydrophobicContact CE1-CB 4.25Å; F169-H173 HydrophobicContact CE2-CB 4.27Å; F169-H173 HydrophobicContact CZ-CB 4.04Å; F169-H173 AromaticContact CZ-CD2 3.86Å; F169-H173 VanDerWaalsContact O-CB 3.29Å; F169-H173 WeakPolarHBondContact O-CB 3.27Å; F169-H173 PolarHBondContact O-N 3.36Å
170	Y	64.4	Low	57.2	Low	53 Å²	53	68.9 Å²	68.9	21%	0.208	35%	0.347	C	S	.	.	H	α-helix	trans	-65.7	-27.7	-177.2	-83.5	-79.8	0	0	0	113.9	F139 D142 H166 K168 T174	F139-Y170 WeakPolarHBondContact CA-OH 3.2Å; F139-Y170 HydrophobicContact CD2-CE2 4.37Å; D142-Y170 HydrophobicContact CB-CE1 4.24Å; D142-Y170 VanDerWaalsContact OD2-CE1 3.31Å; D142-Y170 WeakPolarHBondContact OD2-CE1 3.33Å; D142-Y170 PolarHBondContact OD2-OH 3.42Å; H166-Y170 AromaticContact CE1-CD2 3.43Å; H166-Y170 VanDerWaalsContact CE1-CD2 3.43Å; H166-Y170 WeakPolarHBondContact CE1-CD2 3.36Å; H166-Y170 AromaticContact CE1-CE2 3.33Å; H166-Y170 WeakPolarHBondContact CE1-CE2 3.23Å; H166-Y170 AromaticContact ND1-CD2 3.42Å; H166-Y170 WeakPolarHBondContact ND1-CD2 3.29Å; H166-Y170 AromaticContact ND1-CE2 3.76Å; H166-Y170 AromaticContact NE2-CE2 3.83Å; H166-Y170 WeakPolarHBondContact O-CD2 3.42Å; H166-Y170 PolarHBondContact O-N 3.46Å; K168-Y170 PolarHBondContact O-N 3.12Å; Y170-T174 WeakPolarHBondContact O-CB 3.2Å; Y170-T174 PolarHBondContact O-N 2.84Å; Y170-T174 PolarHBondContact O-OG1 3.36Å
171	K	55.8	Low	56.3	Low	140 Å²	140	71.8 Å²	71.8	61%	0.609	36%	0.361	S	S	*	.	H	α-helix	trans	-65.7	-48.3	169.6	-74.2	169.9	-175.2	179.6	0	111.3	T167 K168 F169 T174 I175	T167-K171 VanDerWaalsContact O-CD 3.31Å; T167-K171 WeakPolarHBondContact O-CD 3.3Å; T167-K171 WeakPolarHBondContact O-CG 3.47Å; T167-K171 PolarHBondContact O-N 3.43Å; K168-K171 WeakPolarHBondContact O-CB 3.39Å; K168-K171 PolarHBondContact O-N 3.46Å; K168-K171 VanDerWaalsContact O-N 3.16Å; F169-K171 VanDerWaalsContact C-N 3.28Å; F169-K171 PolarHBondContact O-N 3.29Å; K171-T174 PolarHBondContact O-N 3.1Å; K171-I175 VanDerWaalsContact O-CG1 3.31Å; K171-I175 WeakPolarHBondContact O-CG1 3.19Å; K171-I175 PolarHBondContact O-N 3.44Å
172	C	50.8	Low	54.9	Low	71 Å²	71	80.6 Å²	80.6	48%	0.48	39%	0.394	S	S	.	.	H	α-helix	trans	-66	-38.6	178.2	-60.2	0	0	0	0	112	K168 F169 I175 L176	K168-C172 PolarHBondContact O-N 3.42Å; K168-C172 PolarHBondContact O-SG 2.92Å; K168-C172 VanDerWaalsContact O-SG 3.38Å; F169-C172 CarbonylContact O-C 3.58Å; F169-C172 PolarHBondContact O-N 2.95Å; C172-I175 CarbonylContact O-C 3.54Å; C172-I175 PolarHBondContact O-N 2.81Å; C172-L176 PolarHBondContact O-N 2.82Å
173	H	54.3	Low	53.3	Low	18 Å²	18	83.9 Å²	83.9	8%	0.083	41%	0.414	C	S	.	.	H	α-helix	trans	-62.2	-45.3	174.6	178.5	-105.6	0	0	0	111.7	F169 I175 L176 L177	F169-H173 HydrophobicContact CE1-CB 4.25Å; F169-H173 HydrophobicContact CE2-CB 4.27Å; F169-H173 HydrophobicContact CZ-CB 4.04Å; F169-H173 AromaticContact CZ-CD2 3.86Å; F169-H173 VanDerWaalsContact O-CB 3.29Å; F169-H173 WeakPolarHBondContact O-CB 3.27Å; F169-H173 PolarHBondContact O-N 3.36Å; H173-I175 VanDerWaalsContact C-N 3.31Å; H173-I175 PolarHBondContact O-N 3.22Å; H173-L176 PolarHBondContact O-N 3.33Å; H173-L177 WeakPolarHBondContact CE1-CD1 3.36Å; H173-L177 WeakPolarHBondContact O-CB 3.49Å; H173-L177 WeakPolarHBondContact O-CG 3.48Å; H173-L177 PolarHBondContact O-N 3.19Å
174	T	53.3	Low	51.9	Low	83 Å²	83	83.4 Å²	83.4	51%	0.509	42%	0.416	S	S	.	.	H	α-helix	trans	-61.8	-38.8	172.3	-59.3	0	0	0	0	111.7	Y170 K171 T178	Y170-T174 WeakPolarHBondContact O-CB 3.2Å; Y170-T174 PolarHBondContact O-N 2.84Å; Y170-T174 PolarHBondContact O-OG1 3.36Å; K171-T174 PolarHBondContact O-N 3.1Å; T174-T178 VanDerWaalsContact O-CB 3.29Å; T174-T178 WeakPolarHBondContact O-CB 3.28Å; T174-T178 PolarHBondContact O-N 3.39Å; T174-T178 PolarHBondContact O-OG1 3.42Å
175	I	47.7	Very low	50.7	Low	114 Å²	114	84 Å²	84	59%	0.585	42%	0.418	S	S	*	.	H	α-helix	trans	-66.1	-46.7	176.2	-67.9	164.7	0	0	0	111	K171 C172 H173 T178 F179	K171-I175 VanDerWaalsContact O-CG1 3.31Å; K171-I175 WeakPolarHBondContact O-CG1 3.19Å; K171-I175 PolarHBondContact O-N 3.44Å; C172-I175 CarbonylContact O-C 3.54Å; C172-I175 PolarHBondContact O-N 2.81Å; H173-I175 VanDerWaalsContact C-N 3.31Å; H173-I175 PolarHBondContact O-N 3.22Å; I175-T178 PolarHBondContact O-N 3.27Å; I175-F179 WeakPolarHBondContact O-CB 3.16Å; I175-F179 PolarHBondContact O-N 3.45Å
176	L	48	Very low	49.2	Very low	80 Å²	80	91 Å²	91	42%	0.419	45%	0.454	S	S	.	.	H	α-helix	trans	-63	-44.5	176.7	-105.8	77.2	0	0	0	112	L146 C172 H173 T178 F179 L180	L146-L176 HydrophobicContact CD1-CB 3.84Å; L146-L176 HydrophobicContact CD1-CD2 3.67Å; L146-L176 HydrophobicContact CD1-CG 4.4Å; L146-L176 HydrophobicContact CD2-CD2 4.2Å; L146-L176 HydrophobicContact CG-CD2 4.06Å; C172-L176 PolarHBondContact O-N 2.82Å; H173-L176 PolarHBondContact O-N 3.33Å; L176-T178 VanDerWaalsContact C-N 3.35Å; L176-T178 PolarHBondContact O-N 3.28Å; L176-F179 WeakPolarHBondContact O-CB 3.43Å; L176-F179 PolarHBondContact O-N 3.4Å; L176-L180 WeakPolarHBondContact O-CB 3.31Å; L176-L180 VanDerWaalsContact O-CG 3.28Å; L176-L180 WeakPolarHBondContact O-CG 3.42Å; L176-L180 PolarHBondContact O-N 3.19Å
177	L	54.5	Low	47.7	Very low	70 Å²	70	93.9 Å²	93.9	37%	0.366	48%	0.476	S	S	.	.	H	α-helix	trans	-63.5	-40.5	175.2	-73.7	-179.1	0	0	0	111.7	H173 F179 L180 Q181	H173-L177 WeakPolarHBondContact CE1-CD1 3.36Å; H173-L177 WeakPolarHBondContact O-CB 3.49Å; H173-L177 WeakPolarHBondContact O-CG 3.48Å; H173-L177 PolarHBondContact O-N 3.19Å; L177-F179 VanDerWaalsContact C-N 3.3Å; L177-F179 PolarHBondContact O-N 2.93Å; L177-L180 PolarHBondContact O-N 3.21Å; L177-Q181 VanDerWaalsContact O-CB 3.25Å; L177-Q181 WeakPolarHBondContact O-CB 3.39Å; L177-Q181 WeakPolarHBondContact O-CG 3.41Å; L177-Q181 PolarHBondContact O-N 3.37Å
178	T	45.6	Very low	46	Very low	51 Å²	51	96.1 Å²	96.1	31%	0.313	50%	0.495	S	S	.	.	H	α-helix	trans	-66.6	-34.5	175.6	-53.3	0	0	0	0	111.4	T174 I175 L176 R182	T174-T178 VanDerWaalsContact O-CB 3.29Å; T174-T178 WeakPolarHBondContact O-CB 3.28Å; T174-T178 PolarHBondContact O-N 3.39Å; T174-T178 PolarHBondContact O-OG1 3.42Å; I175-T178 PolarHBondContact O-N 3.27Å; L176-T178 VanDerWaalsContact C-N 3.35Å; L176-T178 PolarHBondContact O-N 3.28Å; T178-R182 WeakPolarHBondContact O-CB 3.43Å; T178-R182 WeakPolarHBondContact O-CD 3.33Å; T178-R182 WeakPolarHBondContact O-CG 3.5Å; T178-R182 PolarHBondContact O-N 2.78Å
179	F	41.3	Very low	44.6	Very low	105 Å²	105	94.7 Å²	94.7	46%	0.461	50%	0.499	S	S	.	.	H	α-helix	trans	-67.7	-52.4	174.4	176.7	-100.8	0	0	0	111	I175 L176 L177 Q181 R182 V183	I175-F179 WeakPolarHBondContact O-CB 3.16Å; I175-F179 PolarHBondContact O-N 3.45Å; L176-F179 WeakPolarHBondContact O-CB 3.43Å; L176-F179 PolarHBondContact O-N 3.4Å; L177-F179 VanDerWaalsContact C-N 3.3Å; L177-F179 PolarHBondContact O-N 2.93Å; F179-Q181 VanDerWaalsContact C-N 3.32Å; F179-Q181 PolarHBondContact O-N 3.47Å; F179-R182 PolarHBondContact O-N 3.5Å; F179-V183 HydrophobicContact CD1-CG2 4.4Å; F179-V183 HydrophobicContact CD2-CG2 4.44Å; F179-V183 HydrophobicContact CE1-CG2 4.09Å; F179-V183 HydrophobicContact CE2-CG2 4.13Å; F179-V183 HydrophobicContact CZ-CG2 3.95Å; F179-V183 WeakPolarHBondContact O-CG2 3.47Å; F179-V183 PolarHBondContact O-N 2.98Å
180	L	45.9	Very low	43.2	Very low	75 Å²	75	100.7 Å²	100.7	39%	0.393	53%	0.531	S	S	.	.	H	α-helix	trans	-57.3	-43.4	175.5	-71.1	166.9	0	0	0	111.6	L176 L177 R182 V183 N184	L176-L180 WeakPolarHBondContact O-CB 3.31Å; L176-L180 VanDerWaalsContact O-CG 3.28Å; L176-L180 WeakPolarHBondContact O-CG 3.42Å; L176-L180 PolarHBondContact O-N 3.19Å; L177-L180 PolarHBondContact O-N 3.21Å; L180-R182 VanDerWaalsContact C-N 3.33Å; L180-R182 PolarHBondContact O-N 3.47Å; L180-V183 PolarHBondContact O-N 2.85Å; L180-N184 WeakPolarHBondContact O-CB 3.43Å; L180-N184 PolarHBondContact O-N 3.24Å; L180-N184 PolarHBondContact O-ND2 2.96Å
181	Q	44.5	Very low	41.5	Very low	126 Å²	126	104 Å²	104	59%	0.589	56%	0.557	S	S	*	*	H	α-helix	trans	-63.3	-35.7	174.7	-76.1	173.1	-16.6	0	0	112.7	L177 F179 L185	L177-Q181 VanDerWaalsContact O-CB 3.25Å; L177-Q181 WeakPolarHBondContact O-CB 3.39Å; L177-Q181 WeakPolarHBondContact O-CG 3.41Å; L177-Q181 PolarHBondContact O-N 3.37Å; F179-Q181 VanDerWaalsContact C-N 3.32Å; F179-Q181 PolarHBondContact O-N 3.47Å; Q181-L185 VanDerWaalsContact O-CG 3.3Å; Q181-L185 WeakPolarHBondContact O-CG 3.45Å; Q181-L185 PolarHBondContact O-N 3.16Å
182	R	37.3	Very low	40.7	Very low	187 Å²	187	102.8 Å²	102.8	71%	0.706	56%	0.563	S	S	*	*	H	α-helix	trans	-73.7	-37.2	176.1	-76.1	169.8	179.8	-164.6	-0.6	113.1	T178 F179 L180 N184 L185	T178-R182 WeakPolarHBondContact O-CB 3.43Å; T178-R182 WeakPolarHBondContact O-CD 3.33Å; T178-R182 WeakPolarHBondContact O-CG 3.5Å; T178-R182 PolarHBondContact O-N 2.78Å; F179-R182 PolarHBondContact O-N 3.5Å; L180-R182 VanDerWaalsContact C-N 3.33Å; L180-R182 PolarHBondContact O-N 3.47Å; R182-N184 VanDerWaalsContact C-N 3.28Å; R182-L185 PolarHBondContact O-N 3.36Å
183	V	36.5	Very low	39.6	Very low	76 Å²	76	106.5 Å²	106.5	46%	0.461	58%	0.584	S	S	.	*	H	α-helix	trans	-70.3	-27.1	175.7	176.8	0	0	0	0	111.3	F179 L180 I216	F179-V183 HydrophobicContact CD1-CG2 4.4Å; F179-V183 HydrophobicContact CD2-CG2 4.44Å; F179-V183 HydrophobicContact CE1-CG2 4.09Å; F179-V183 HydrophobicContact CE2-CG2 4.13Å; F179-V183 HydrophobicContact CZ-CG2 3.95Å; F179-V183 WeakPolarHBondContact O-CG2 3.47Å; F179-V183 PolarHBondContact O-N 2.98Å; L180-V183 PolarHBondContact O-N 2.85Å; V183-I216 HydrophobicContact CG1-CD1 4.34Å; V183-I216 HydrophobicContact CG1-CG2 4.46Å
184	N	39.3	Very low	38.2	Very low	85 Å²	85	116.2 Å²	116.2	46%	0.455	62%	0.62	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.7	3.2	173.9	-75.8	-73.7	0	0	0	114.7	L180 R182 I216	L180-N184 WeakPolarHBondContact O-CB 3.43Å; L180-N184 PolarHBondContact O-N 3.24Å; L180-N184 PolarHBondContact O-ND2 2.96Å; R182-N184 VanDerWaalsContact C-N 3.28Å; N184-I216 WeakPolarHBondContact OD1-CD1 3.42Å
185	L	33.8	Very low	37	Very low	132 Å²	132	118.5 Å²	118.5	69%	0.691	63%	0.629	S	S	*	*	S	Bend	trans	-100.5	102.6	174.4	-79.2	169.3	0	0	0	110.3	Q181 R182	Q181-L185 VanDerWaalsContact O-CG 3.3Å; Q181-L185 WeakPolarHBondContact O-CG 3.45Å; Q181-L185 PolarHBondContact O-N 3.16Å; R182-L185 PolarHBondContact O-N 3.36Å
186	L	30.3	Very low	36.2	Very low	164 Å²	164	123.9 Å²	123.9	86%	0.859	64%	0.642	S	S	*	*			trans	-63.1	139	-177.1	-140.1	78.2	0	0	0	112	S188	L186-S188 PolarHBondContact O-N 3.14Å
187	P	33.2	Very low	35.1	Very low	105 Å²	105	129.3 Å²	129.3	68%	0.682	66%	0.663	S	S	*	*			trans	-64.4	130.1	166.2	-19.7	32.7	0	0	0	110.8	V189	P187-V189 PolarHBondContact O-N 3.03Å; P187-V189 VanDerWaalsContact O-N 3.08Å
188	S	27.7	Very low	33.8	Very low	109 Å²	109	131.2 Å²	131.2	76%	0.762	68%	0.682	S	S	*	*			trans	-70.5	101.3	176.6	-176.8	0	0	0	0	111	L186 N190	L186-S188 PolarHBondContact O-N 3.14Å; S188-N190 PolarHBondContact O-N 3.14Å
189	V	29.6	Very low	32.9	Very low	122 Å²	122	134.7 Å²	134.7	74%	0.739	71%	0.708	S	S	*	*			trans	-81.2	114.3	175.3	178.2	0	0	0	0	110.1	P187 V191	P187-V189 PolarHBondContact O-N 3.03Å; P187-V189 VanDerWaalsContact O-N 3.08Å; V189-V191 HydrophobicContact CG1-CG2 4.21Å
190	N	32.6	Very low	32.1	Very low	148 Å²	148	138.5 Å²	138.5	79%	0.791	73%	0.727	S	S	*	*			trans	-86.6	113.2	170.4	-74.8	-26.1	0	0	0	110.5	S188	S188-N190 PolarHBondContact O-N 3.14Å
191	V	29.2	Very low	31	Very low	123 Å²	123	141.2 Å²	141.2	75%	0.745	75%	0.751	S	S	*	*			trans	-140.6	130.2	158.3	-177.1	0	0	0	0	108.3	V189	V189-V191 HydrophobicContact CG1-CG2 4.21Å
192	P	40.3	Very low	30	Very low	114 Å²	114	140.5 Å²	140.5	74%	0.74	76%	0.76	S	S	*	*			trans	-97.7	144.5	-178.9	35.8	-32.2	0	0	0	113
193	T	26.3	Very low	29.6	Very low	150 Å²	150	140.9 Å²	140.9	92%	0.92	77%	0.77	S	S	*	*			trans	-154.6	164.3	150.6	6.4	0	0	0	0	114.4
194	R	26.3	Very low	29	Very low	221 Å²	221	142.9 Å²	142.9	83%	0.834	79%	0.787	S	S	*	*			trans	-73.8	157.8	-168.5	-95.9	176.2	155.3	152.6	-3.8	117.3
195	D	27	Very low	28.6	Very low	132 Å²	132	145.3 Å²	145.3	71%	0.706	81%	0.805	S	S	*	*			trans	66.4	109.4	134.9	-71.7	-52.3	0	0	0	122.6
196	R	30.5	Very low	28.4	Very low	227 Å²	227	145.3 Å²	145.3	86%	0.857	81%	0.81	S	S	*	*				115.5	133.8	109.1	-167.9	177.7	-168.9	-170.7	4.8	119.5
197	K	25.7	Very low	28.2	Very low	194 Å²	194	148.2 Å²	148.2	84%	0.843	81%	0.81	S	S	*	*			trans	86.1	160.5	160.1	-107.1	-174.3	175.2	-169.8	0	118.9
198	S	26	Very low	28	Very low	110 Å²	110	149.6 Å²	149.6	77%	0.769	82%	0.819	S	S	*	*			trans	-137.9	152.1	-152.6	52.8	0	0	0	0	112.3
199	S	27.5	Very low	28	Very low	123 Å²	123	149.6 Å²	149.6	86%	0.86	82%	0.819	S	S	*	*			trans	-154.7	160.3	151.7	51.1	0	0	0	0	110.1
200	E	24	Very low	28.3	Very low	186 Å²	186	152.2 Å²	152.2	87%	0.869	83%	0.828	S	S	*	*			trans	-106.5	168.2	-166.2	-62.9	167.1	92.8	0	0	113.7
201	C	22.7	Very low	28.2	Very low	132 Å²	132	152.7 Å²	152.7	89%	0.892	83%	0.829	S	S	*	*			trans	67	157.5	162.4	-102.7	0	0	0	0	117.7
202	S	24.3	Very low	28.2	Very low	110 Å²	110	152 Å²	152	77%	0.769	83%	0.829	S	S	*	*			cis	-143.1	173.2	3.4	48.9	0	0	0	0	112
203	Q	29.7	Very low	27.7	Very low	196 Å²	196	154.3 Å²	154.3	92%	0.916	83%	0.834	S	S	*	*			trans	-82.9	147.3	-176.2	-61.7	175.9	-1.8	0	0	113.2
204	S	24.1	Very low	28	Very low	118 Å²	118	152 Å²	152	83%	0.825	82%	0.822	S	S	*	*			trans	-154.4	148.7	157.8	-173.6	0	0	0	0	110.9
205	T	30.3	Very low	28.3	Very low	136 Å²	136	148.2 Å²	148.2	83%	0.834	82%	0.823	S	S	*	*			trans	-116.6	111.1	-169.3	-57.9	0	0	0	0	112.1
206	V	28.9	Very low	28.4	Very low	132 Å²	132	145.3 Å²	145.3	80%	0.8	81%	0.807	S	S	*	*			trans	-139.1	147.6	168.7	-173.2	0	0	0	0	110
207	R	26	Very low	28.7	Very low	225 Å²	225	140.6 Å²	140.6	85%	0.849	81%	0.806	S	S	*	*			trans	-67.5	148.6	-179.6	-69.1	158.3	68.6	166.6	1	111.6	S209	R207-S209 PolarHBondContact O-N 3.13Å; R207-S209 VanDerWaalsContact O-N 3.16Å
208	P	29.9	Very low	29	Very low	134 Å²	134	134.6 Å²	134.6	87%	0.87	79%	0.789	S	S	*	*			trans	-73.1	107	-179.5	29.2	-34.4	0	0	0	111.9
209	S	27.1	Very low	29.5	Very low	109 Å²	109	133.3 Å²	133.3	76%	0.762	77%	0.773	S	S	*	*			trans	-83.6	144.5	165.9	-68.8	0	0	0	0	110.9	R207 L211	R207-S209 PolarHBondContact O-N 3.13Å; R207-S209 VanDerWaalsContact O-N 3.16Å; S209-L211 PolarHBondContact O-N 3.28Å
210	L	35	Very low	30.1	Very low	177 Å²	177	132.1 Å²	132.1	93%	0.927	76%	0.762	S	S	*	*			trans	-68.2	127.2	-177.1	-62.9	168.4	0	0	0	111.5
211	L	31.8	Very low	30.8	Very low	158 Å²	158	130.5 Å²	130.5	83%	0.827	75%	0.752	S	S	*	*			trans	-140.7	146.3	173.6	-78.9	178.3	0	0	0	113.1	S209	S209-L211 PolarHBondContact O-N 3.28Å
212	S	28.8	Very low	31.7	Very low	107 Å²	107	128.3 Å²	128.3	75%	0.748	74%	0.738	S	S	*	*			trans	58.6	96.4	153.6	-55.2	0	0	0	0	119.1
213	I	30.2	Very low	32.5	Very low	164 Å²	164	127.4 Å²	127.4	84%	0.841	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-78.7	127.5	152.9	-63.2	167	0	0	0	108
214	P	31.5	Very low	32.9	Very low	101 Å²	101	124.3 Å²	124.3	66%	0.656	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-72.3	139.2	177.1	-18.8	32.7	0	0	0	113.3
215	T	33	Very low	33.7	Very low	142 Å²	142	122.5 Å²	122.5	87%	0.871	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-72.5	125.9	172.2	-51.5	0	0	0	0	110.7
216	I	29.6	Very low	34.3	Very low	70 Å²	70	120.2 Å²	120.2	36%	0.359	68%	0.678	S	S	.	*	P	Polyproline II helix	trans	-82.6	126.2	-177.7	-53.1	172.8	0	0	0	110.8	V183 N184 S218	V183-I216 HydrophobicContact CG1-CD1 4.34Å; V183-I216 HydrophobicContact CG1-CG2 4.46Å; N184-I216 WeakPolarHBondContact OD1-CD1 3.42Å; I216-S218 PolarHBondContact O-N 3.43Å; I216-S218 VanDerWaalsContact O-N 3.12Å
217	P	35.9	Very low	35.1	Very low	129 Å²	129	117.4 Å²	117.4	84%	0.838	66%	0.661	S	S	*	*			trans	-77.6	92.6	167.1	31.8	-32	0	0	0	109.7
218	S	33.5	Very low	35.9	Very low	68 Å²	68	109.2 Å²	109.2	48%	0.476	64%	0.639	S	S	.	*			trans	-87.9	117.6	-176.7	55.8	0	0	0	0	112.7	I216 L223	I216-S218 PolarHBondContact O-N 3.43Å; I216-S218 VanDerWaalsContact O-N 3.12Å; S218-L223 WeakPolarHBondContact OG-CD1 3.5Å
219	D	36.3	Very low	36.8	Very low	82 Å²	82	111 Å²	111	44%	0.439	63%	0.628	S	S	.	*			trans	-54.1	125.7	172.3	176.3	-14.7	0	0	0	109.9	K221 C222	D219-K221 PolarHBondContact O-N 2.89Å; D219-K221 WeakPolarHBondContact OD1-CB 3.43Å; D219-K221 WeakPolarHBondContact OD1-CG 3.29Å; D219-K221 PolarHBondContact OD1-N 3Å; D219-C222 WeakPolarHBondContact O-CB 3.31Å; D219-C222 PolarHBondContact O-N 2.98Å
220	P	40.2	Very low	37.5	Very low	98 Å²	98	108.1 Å²	108.1	64%	0.636	61%	0.611	S	S	*	*	H	α-helix	trans	-56.2	-24.8	-178.5	22.3	-34.1	0	0	0	113.5	C222 L223 H224	P220-C222 VanDerWaalsContact C-N 3.31Å; P220-C222 PolarHBondContact O-N 2.66Å; P220-L223 PolarHBondContact O-N 2.91Å; P220-H224 WeakPolarHBondContact O-CB 3.28Å; P220-H224 PolarHBondContact O-N 2.84Å
221	K	38.8	Very low	37.9	Very low	152 Å²	152	106.2 Å²	106.2	66%	0.661	60%	0.597	S	S	*	*	H	α-helix	trans	-64.2	-34.5	175.2	-66	170	-177.2	168.2	0	112.5	D219 S225	D219-K221 PolarHBondContact O-N 2.89Å; D219-K221 WeakPolarHBondContact OD1-CB 3.43Å; D219-K221 WeakPolarHBondContact OD1-CG 3.29Å; D219-K221 PolarHBondContact OD1-N 3Å; K221-S225 VanDerWaalsContact O-CB 3.3Å; K221-S225 WeakPolarHBondContact O-CB 3.47Å; K221-S225 PolarHBondContact O-N 2.84Å; K221-S225 PolarHBondContact O-OG 2.84Å
222	C	40.1	Very low	38.3	Very low	87 Å²	87	105.1 Å²	105.1	59%	0.588	59%	0.588	S	S	*	*	H	α-helix	trans	-71	-43.3	176.3	-75.5	0	0	0	0	111.4	D219 P220 S225 L226	D219-C222 WeakPolarHBondContact O-CB 3.31Å; D219-C222 PolarHBondContact O-N 2.98Å; P220-C222 VanDerWaalsContact C-N 3.31Å; P220-C222 PolarHBondContact O-N 2.66Å; C222-S225 PolarHBondContact O-N 3.37Å; C222-L226 WeakPolarHBondContact O-CB 3.39Å; C222-L226 PolarHBondContact O-N 3.49Å
223	L	41.4	Very low	38.9	Very low	90 Å²	90	105.8 Å²	105.8	47%	0.471	58%	0.578	S	S	.	*	H	α-helix	trans	-62.4	-48.6	174.7	-84.6	164.6	0	0	0	111.6	S218 P220 S225 L226 V227	S218-L223 WeakPolarHBondContact OG-CD1 3.5Å; P220-L223 PolarHBondContact O-N 2.91Å; L223-S225 VanDerWaalsContact C-N 3.31Å; L223-S225 PolarHBondContact O-N 3.43Å; L223-L226 PolarHBondContact O-N 3.3Å; L223-V227 WeakPolarHBondContact O-CB 3.38Å; L223-V227 WeakPolarHBondContact O-CG2 3.29Å; L223-V227 PolarHBondContact O-N 3.46Å
224	H	39.1	Very low	39.3	Very low	132 Å²	132	100.1 Å²	100.1	61%	0.611	56%	0.556	S	S	*	*	H	α-helix	trans	-59.6	-40.5	176.7	-164.7	-52.7	0	0	0	111.8	P220 V227 S228	P220-H224 WeakPolarHBondContact O-CB 3.28Å; P220-H224 PolarHBondContact O-N 2.84Å; H224-V227 PolarHBondContact O-N 2.79Å; H224-S228 PolarHBondContact CE1-OG 2.88Å; H224-S228 PolarHBondContact ND1-OG 3.37Å; H224-S228 VanDerWaalsContact ND1-OG 3.16Å; H224-S228 WeakPolarHBondContact O-CB 3.39Å; H224-S228 PolarHBondContact O-N 3.03Å; H224-S228 PolarHBondContact O-OG 3.44Å
225	S	41.4	Very low	39.7	Very low	80 Å²	80	98.4 Å²	98.4	56%	0.559	56%	0.557	S	S	*	*	H	α-helix	trans	-65.8	-40.2	177	-60.1	0	0	0	0	112.4	K221 C222 L223 W229	K221-S225 VanDerWaalsContact O-CB 3.3Å; K221-S225 WeakPolarHBondContact O-CB 3.47Å; K221-S225 PolarHBondContact O-N 2.84Å; K221-S225 PolarHBondContact O-OG 2.84Å; C222-S225 PolarHBondContact O-N 3.37Å; L223-S225 VanDerWaalsContact C-N 3.31Å; L223-S225 PolarHBondContact O-N 3.43Å; S225-W229 WeakPolarHBondContact O-CB 3.19Å; S225-W229 PolarHBondContact O-N 2.83Å
226	L	42.2	Very low	40	Very low	87 Å²	87	97.4 Å²	97.4	46%	0.455	55%	0.546	S	S	.	.	H	α-helix	trans	-66.7	-41.6	177.4	-173.9	67.5	0	0	0	111.7	C222 L223 W229 A230	C222-L226 WeakPolarHBondContact O-CB 3.39Å; C222-L226 PolarHBondContact O-N 3.49Å; L223-L226 PolarHBondContact O-N 3.3Å; L226-W229 PolarHBondContact O-N 2.83Å; L226-A230 PolarHBondContact O-N 3.48Å
227	V	45	Very low	40.2	Very low	73 Å²	73	96.1 Å²	96.1	44%	0.442	54%	0.543	S	S	.	.	H	α-helix	trans	-67.3	-46.8	176.7	169.5	0	0	0	0	111	L223 H224 W229 A230 H231	L223-V227 WeakPolarHBondContact O-CB 3.38Å; L223-V227 WeakPolarHBondContact O-CG2 3.29Å; L223-V227 PolarHBondContact O-N 3.46Å; H224-V227 PolarHBondContact O-N 2.79Å; V227-W229 VanDerWaalsContact C-N 3.31Å; V227-W229 PolarHBondContact O-N 3.39Å; V227-A230 PolarHBondContact O-N 3.39Å; V227-A230 VanDerWaalsContact O-N 3.15Å; V227-H231 PolarHBondContact O-CD2 3.23Å; V227-H231 VanDerWaalsContact O-CD2 3.23Å; V227-H231 PolarHBondContact O-N 2.98Å
228	S	43.7	Very low	40.5	Very low	53 Å²	53	101.9 Å²	101.9	37%	0.371	55%	0.548	S	S	.	.	H	α-helix	trans	-59.4	-40	174.8	-63.3	0	0	0	0	112.4	H224 H231 H232	H224-S228 PolarHBondContact CE1-OG 2.88Å; H224-S228 PolarHBondContact ND1-OG 3.37Å; H224-S228 VanDerWaalsContact ND1-OG 3.16Å; H224-S228 WeakPolarHBondContact O-CB 3.39Å; H224-S228 PolarHBondContact O-N 3.03Å; H224-S228 PolarHBondContact O-OG 3.44Å; S228-H231 PolarHBondContact O-N 3.07Å; S228-H232 PolarHBondContact O-N 3.05Å
229	W	48.8	Very low	40.9	Very low	171 Å²	171	103.9 Å²	103.9	65%	0.648	56%	0.562	S	S	*	*	H	α-helix	trans	-62.9	-43.2	174	178.5	84.1	0	0	0	112.3	S225 L226 V227 H232 H233	S225-W229 WeakPolarHBondContact O-CB 3.19Å; S225-W229 PolarHBondContact O-N 2.83Å; L226-W229 PolarHBondContact O-N 2.83Å; V227-W229 VanDerWaalsContact C-N 3.31Å; V227-W229 PolarHBondContact O-N 3.39Å; W229-H232 PolarHBondContact O-N 3.12Å; W229-H233 WeakPolarHBondContact O-CB 3.4Å; W229-H233 PolarHBondContact O-N 2.85Å
230	A	41.6	Very low	40.8	Very low	49 Å²	49	104.3 Å²	104.3	41%	0.405	57%	0.57	S	S	.	*	H	α-helix	trans	-63.8	-41.8	177.6	0	0	0	0	0	112.4	L226 V227 H233 A234	L226-A230 PolarHBondContact O-N 3.48Å; V227-A230 PolarHBondContact O-N 3.39Å; V227-A230 VanDerWaalsContact O-N 3.15Å; A230-H233 PolarHBondContact O-N 3.13Å; A230-A234 WeakPolarHBondContact O-CB 3.36Å; A230-A234 PolarHBondContact O-N 2.65Å
231	H	42.5	Very low	40.4	Very low	137 Å²	137	105.2 Å²	105.2	63%	0.634	58%	0.576	S	S	*	*	H	α-helix	trans	-67	-41.2	176.3	-78	-72	0	0	0	113	V227 S228 A234 G235	V227-H231 PolarHBondContact O-CD2 3.23Å; V227-H231 VanDerWaalsContact O-CD2 3.23Å; V227-H231 PolarHBondContact O-N 2.98Å; S228-H231 PolarHBondContact O-N 3.07Å; H231-A234 PolarHBondContact O-N 3.39Å; H231-G235 PolarHBondContact O-N 3.09Å
232	H	40.4	Very low	40.3	Very low	136 Å²	136	102.4 Å²	102.4	63%	0.63	57%	0.568	S	S	*	*	H	α-helix	trans	-60.5	-48.6	173.1	-120.4	84.2	0	0	0	110.9	S228 W229 A234 G235 D236	S228-H232 PolarHBondContact O-N 3.05Å; W229-H232 PolarHBondContact O-N 3.12Å; H232-A234 VanDerWaalsContact C-N 3.25Å; H232-A234 PolarHBondContact O-N 3.09Å; H232-G235 PolarHBondContact O-N 3.26Å; H232-G235 VanDerWaalsContact O-N 3.13Å; H232-D236 IonicContact CD2-OD2 3.06Å; H232-D236 PolarHBondContact O-N 3.46Å
233	H	42	Very low	40	Very low	120 Å²	120	103.7 Å²	103.7	56%	0.556	57%	0.569	S	S	*	*	H	α-helix	trans	-64.1	-28.9	-179.9	-168.5	53.6	0	0	0	113.4	W229 A230 C237	W229-H233 WeakPolarHBondContact O-CB 3.4Å; W229-H233 PolarHBondContact O-N 2.85Å; A230-H233 PolarHBondContact O-N 3.13Å; H233-C237 WeakPolarHBondContact O-CB 3.49Å
234	A	38.5	Very low	39.8	Very low	46 Å²	46	104.6 Å²	104.6	38%	0.38	57%	0.569	S	S	.	*	H	α-helix	trans	-72.1	-46	171.1	0	0	0	0	0	112	A230 H231 H232 C237	A230-A234 WeakPolarHBondContact O-CB 3.36Å; A230-A234 PolarHBondContact O-N 2.65Å; H231-A234 PolarHBondContact O-N 3.39Å; H232-A234 VanDerWaalsContact C-N 3.25Å; H232-A234 PolarHBondContact O-N 3.09Å; A234-C237 WeakPolarHBondContact O-CB 3.37Å; A234-C237 PolarHBondContact O-N 2.84Å
235	G	39.7	Very low	39.6	Very low	64 Å²	64	105 Å²	105	66%	0.66	57%	0.571	S	S	*	*	H	α-helix	trans	-64.7	-40.3	-178.6	0	0	0	0	0	114.3	H231 H232 C237	H231-G235 PolarHBondContact O-N 3.09Å; H232-G235 PolarHBondContact O-N 3.26Å; H232-G235 VanDerWaalsContact O-N 3.13Å; G235-C237 PolarHBondContact O-N 3.42Å
236	D	38.7	Very low	39.5	Very low	121 Å²	121	106.3 Å²	106.3	65%	0.647	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	-15.1	176.6	-68.9	-39.7	0	0	0	113	H232 R238	H232-D236 IonicContact CD2-OD2 3.06Å; H232-D236 PolarHBondContact O-N 3.46Å; D236-R238 PolarHBondContact O-N 3.2Å; D236-R238 VanDerWaalsContact O-N 3.07Å
237	C	35.4	Very low	39.1	Very low	44 Å²	44	108.1 Å²	108.1	30%	0.297	59%	0.585	S	S	.	*			trans	-83.1	86.1	-175.5	-169	0	0	0	0	112.1	H233 A234 G235 S239 C240	H233-C237 WeakPolarHBondContact O-CB 3.49Å; A234-C237 WeakPolarHBondContact O-CB 3.37Å; A234-C237 PolarHBondContact O-N 2.84Å; G235-C237 PolarHBondContact O-N 3.42Å; C237-S239 PolarHBondContact O-N 3.25Å; C237-C240 PolarHBondContact O-N 3.05Å
238	R	41.7	Very low	38.6	Very low	250 Å²	250	110.9 Å²	110.9	94%	0.943	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	37.6	169.7	-63.1	-174.1	178	-114.6	1.2	114.4	D236	D236-R238 PolarHBondContact O-N 3.2Å; D236-R238 VanDerWaalsContact O-N 3.07Å
239	S	40.6	Very low	38.1	Very low	109 Å²	109	110.5 Å²	110.5	76%	0.762	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.7	1.5	179	-62.3	0	0	0	0	113.4	C237	C237-S239 PolarHBondContact O-N 3.25Å
240	C	35.3	Very low	37.4	Very low	91 Å²	91	110.9 Å²	110.9	62%	0.615	61%	0.606	S	S	*	*			trans	-122.3	126.6	175.6	-61.7	0	0	0	0	109.9	C237	C237-C240 PolarHBondContact O-N 3.05Å
241	P	32.4	Very low	36.9	Very low	117 Å²	117	113.9 Å²	113.9	76%	0.76	62%	0.623	S	S	*	*			trans	-66.9	168.3	150.7	32.3	-32.4	0	0	0	109.8	L243	P241-L243 PolarHBondContact O-N 3.42Å
242	D	35.6	Very low	36.1	Very low	94 Å²	94	119.5 Å²	119.5	50%	0.503	64%	0.639	S	S	.	*			trans	-64.2	128.8	-154.3	-161.4	-9.5	0	0	0	114.9	K244 E245	D242-K244 VanDerWaalsContact CG-CB 3.5Å; D242-K244 PolarHBondContact O-N 3.05Å; D242-K244 WeakPolarHBondContact OD1-CB 3.4Å; D242-K244 PolarHBondContact OD1-N 3.37Å; D242-K244 WeakPolarHBondContact OD2-CB 3.37Å; D242-E245 HydrophobicContact CB-CB 4.3Å
243	L	35.1	Very low	35.6	Very low	113 Å²	113	116.2 Å²	116.2	59%	0.592	64%	0.642	S	S	*	*	H	α-helix	trans	-69.4	-24.3	173	-177.2	62.2	0	0	0	111.7	P241 V246 L247	P241-L243 PolarHBondContact O-N 3.42Å; L243-V246 PolarHBondContact O-N 3.38Å; L243-L247 PolarHBondContact O-N 2.84Å
244	K	36.3	Very low	34.9	Very low	109 Å²	109	114.9 Å²	114.9	47%	0.474	65%	0.646	S	S	.	*	H	α-helix	trans	-63.7	-44.7	176	-171.5	-178.8	177.7	-77.7	0	111.8	D242 V246 L247 E248	D242-K244 VanDerWaalsContact CG-CB 3.5Å; D242-K244 PolarHBondContact O-N 3.05Å; D242-K244 WeakPolarHBondContact OD1-CB 3.4Å; D242-K244 PolarHBondContact OD1-N 3.37Å; D242-K244 WeakPolarHBondContact OD2-CB 3.37Å; K244-V246 PolarHBondContact O-N 3.04Å; K244-L247 PolarHBondContact O-N 3.36Å; K244-E248 WeakPolarHBondContact CE-OE1 3.48Å; K244-E248 VanDerWaalsContact NZ-CD 3.25Å; K244-E248 IonicContact NZ-OE1 3.66Å; K244-E248 PolarHBondContact NZ-OE1 3.44Å; K244-E248 IonicContact NZ-OE2 3.89Å; K244-E248 PolarHBondContact NZ-OE2 3.32Å; K244-E248 PolarHBondContact O-N 3.45Å
245	E	35.7	Very low	34.4	Very low	142 Å²	142	119.2 Å²	119.2	66%	0.664	67%	0.668	S	S	*	*	H	α-helix	trans	-61.1	-31.4	-179.8	-162.3	173.9	-137.2	0	0	111.9	D242	D242-E245 HydrophobicContact CB-CB 4.3Å
246	V	37.7	Very low	33.8	Very low	107 Å²	107	121.3 Å²	121.3	65%	0.648	66%	0.655	S	S	*	*	H	α-helix	trans	-73.1	-30.3	175.1	-177.4	0	0	0	0	112.6	L243 K244	L243-V246 PolarHBondContact O-N 3.38Å; K244-V246 PolarHBondContact O-N 3.04Å
247	L	33.9	Very low	33.5	Very low	125 Å²	125	118.1 Å²	118.1	65%	0.654	65%	0.646	S	S	*	*	H	α-helix	trans	-84.8	-29.1	-179.1	-68.4	170.7	0	0	0	112.8	L243 K244 G249	L243-L247 PolarHBondContact O-N 2.84Å; K244-L247 PolarHBondContact O-N 3.36Å; L247-G249 VanDerWaalsContact C-N 3.32Å
248	E	35.8	Very low	33.2	Very low	131 Å²	131	119.9 Å²	119.9	61%	0.612	66%	0.655	S	S	*	*	H	α-helix	trans	-79.9	-13	177.5	-68.5	173.6	173.8	0	0	112.6	K244	K244-E248 WeakPolarHBondContact CE-OE1 3.48Å; K244-E248 VanDerWaalsContact NZ-CD 3.25Å; K244-E248 IonicContact NZ-OE1 3.66Å; K244-E248 PolarHBondContact NZ-OE1 3.44Å; K244-E248 IonicContact NZ-OE2 3.89Å; K244-E248 PolarHBondContact NZ-OE2 3.32Å; K244-E248 PolarHBondContact O-N 3.45Å
249	G	31.6	Very low	32.9	Very low	45 Å²	45	117.4 Å²	117.4	46%	0.464	65%	0.646	S	S	.	*	S	Bend	trans	-69.6	-63.5	-169.5	0	0	0	0	0	117.1	L247	L247-G249 VanDerWaalsContact C-N 3.32Å
250	Q	34.6	Very low	32.2	Very low	178 Å²	178	118.8 Å²	118.8	83%	0.832	64%	0.64	S	S	*	*			trans	-163.4	87.9	-172.4	-105.1	140	34.4	0	0	113.6
251	C	30.6	Very low	32.1	Very low	112 Å²	112	118 Å²	118	76%	0.757	64%	0.635	S	S	*	*			trans	-127.3	71.1	171	-76.1	0	0	0	0	110.9	G253	C251-G253 PolarHBondContact O-N 3.21Å; C251-G253 VanDerWaalsContact O-N 3.13Å
252	W	27	Very low	32.3	Very low	255 Å²	255	119.9 Å²	119.9	97%	0.966	64%	0.644	S	S	*	*			trans	-81.8	91	-177.4	-88.6	53.5	0	0	0	112.8
253	G	28.7	Very low	32.4	Very low	67 Å²	67	119.1 Å²	119.1	69%	0.691	65%	0.651	S	S	*	*	S	Bend	trans	87.6	132.5	161.5	0	0	0	0	0	115.9	C251	C251-G253 PolarHBondContact O-N 3.21Å; C251-G253 VanDerWaalsContact O-N 3.13Å
254	S	28.8	Very low	32.2	Very low	92 Å²	92	116.5 Å²	116.5	64%	0.643	65%	0.651	S	S	*	*			cis	-149.3	78.1	-9.6	-76.8	0	0	0	0	109.8
255	V	27.1	Very low	32	Very low	138 Å²	138	116.9 Å²	116.9	84%	0.836	65%	0.654	S	S	*	*			trans	-96.6	133.9	151.5	179.4	0	0	0	0	107.5	T271	V255-T271 HydrophobicContact CB-CG2 4.5Å; V255-T271 HydrophobicContact CG1-CG2 4.2Å
256	R	27.4	Very low	31.5	Very low	107 Å²	107	113.3 Å²	113.3	40%	0.404	65%	0.645	S	S	.	*			trans	-142.8	114	-152	-94.9	-118.9	-70.2	171.1	1.6	103.2	M269 D270 T271	R256-M269 CarbonylContact C-O 3.52Å; R256-M269 HydrophobicContact CB-CB 3.57Å; R256-M269 HydrophobicContact CB-SD 4.45Å; R256-M269 WeakPolarHBondContact CD-SD 3.37Å; R256-M269 HydrophobicContact CG-CB 3.81Å; R256-M269 HydrophobicContact CG-CG 4.25Å; R256-M269 HydrophobicContact CG-SD 3.72Å; R256-M269 VanDerWaalsContact O-O 3.08Å; R256-D270 WeakPolarHBondContact CB-O 3.33Å; R256-D270 WeakPolarHBondContact CD-O 3.14Å; R256-D270 WeakPolarHBondContact CG-O 3.47Å; R256-D270 PolarHBondContact NE-O 3.27Å; R256-D270 PolarHBondContact NH2-O 3.11Å; R256-T271 HydrophobicContact CB-CG2 4.05Å
257	A	31.4	Very low	31.2	Very low	55 Å²	55	116 Å²	116	46%	0.455	65%	0.645	S	S	.	*			trans	-134.8	139	-164.3	0	0	0	0	0	112.6	M269	A257-M269 PolarHBondContact N-O 3.02Å
258	V	29.2	Very low	30.9	Very low	80 Å²	80	117.2 Å²	117.2	49%	0.485	65%	0.649	S	S	.	*			trans	-101.2	121.9	-175.8	-177.7	0	0	0	0	110.2	Y267 M268	V258-Y267 CarbonylContact C-O 3.56Å; V258-Y267 WeakPolarHBondContact CA-O 3.3Å; V258-Y267 WeakPolarHBondContact CG1-O 3.45Å; V258-M268 HydrophobicContact CG1-CG 3.89Å; V258-M268 HydrophobicContact CG2-CB 4.44Å; V258-M268 HydrophobicContact CG2-CG 4.08Å
259	W	35.3	Very low	30.7	Very low	199 Å²	199	116 Å²	116	75%	0.754	65%	0.645	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-146.7	138.4	176.4	-65.9	98.8	0	0	0	112.6	Y267	W259-Y267 PolarHBondContact N-O 2.77Å; W259-Y267 PolarHBondContact O-N 2.93Å
260	E	26.5	Very low	30.6	Very low	137 Å²	137	117.6 Å²	117.6	64%	0.64	64%	0.642	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-109.1	136.2	177.7	-86	-177.8	167.6	0	0	112.8	H265 S266	E260-H265 WeakPolarHBondContact CA-O 3.48Å; E260-S266 VanDerWaalsContact CG-CA 3.44Å; E260-S266 WeakPolarHBondContact OE1-CB 3.14Å; E260-S266 PolarHBondContact OE1-OG 3.34Å
261	C	32.6	Very low	31	Very low	74 Å²	74	112.9 Å²	112.9	50%	0.5	63%	0.626	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-79.9	150.2	168.3	-177.9	0	0	0	0	110.5	A263 G264 H265	C261-A263 PolarHBondContact O-N 3.16Å; C261-G264 PolarHBondContact O-N 2.77Å; C261-H265 PolarHBondContact N-O 2.88Å; C261-H265 VanDerWaalsContact N-O 3.1Å
262	V	38	Very low	30.9	Very low	158 Å²	158	115.5 Å²	115.5	96%	0.958	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.9	-11.6	175.4	-161.4	0	0	0	0	112.9
263	A	37.1	Very low	31.1	Very low	78 Å²	78	110.3 Å²	110.3	65%	0.645	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	4	170.3	0	0	0	0	0	114.8	C261	C261-A263 PolarHBondContact O-N 3.16Å
264	G	31.8	Very low	30.9	Very low	58 Å²	58	118.9 Å²	118.9	60%	0.598	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	86.8	29.9	173.5	0	0	0	0	0	116	C261	C261-G264 PolarHBondContact O-N 2.77Å
265	H	31	Very low	30.9	Very low	116 Å²	116	118.6 Å²	118.6	54%	0.537	64%	0.639	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.1	115.9	176.9	-65	161	0	0	0	111.8	E260 C261	E260-H265 WeakPolarHBondContact CA-O 3.48Å; C261-H265 PolarHBondContact N-O 2.88Å; C261-H265 VanDerWaalsContact N-O 3.1Å
266	S	25.1	Very low	30.9	Very low	68 Å²	68	119.9 Å²	119.9	48%	0.476	64%	0.641	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-88.4	126.8	173.7	-9.4	0	0	0	0	111.8	E260	E260-S266 VanDerWaalsContact CG-CA 3.44Å; E260-S266 WeakPolarHBondContact OE1-CB 3.14Å; E260-S266 PolarHBondContact OE1-OG 3.34Å
267	Y	31.1	Very low	31.3	Very low	164 Å²	164	120.7 Å²	120.7	64%	0.643	66%	0.66	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-94.5	133	154	-62.8	-80.8	0	0	0	107.6	V258 W259	V258-Y267 CarbonylContact C-O 3.56Å; V258-Y267 WeakPolarHBondContact CA-O 3.3Å; V258-Y267 WeakPolarHBondContact CG1-O 3.45Å; W259-Y267 PolarHBondContact N-O 2.77Å; W259-Y267 PolarHBondContact O-N 2.93Å
268	M	29	Very low	31.1	Very low	150 Å²	150	121.6 Å²	121.6	74%	0.739	67%	0.674	S	S	*	*			trans	-124.9	138.4	177.2	-96.1	-139	-58.5	0	0	111.2	V258	V258-M268 HydrophobicContact CG1-CG 3.89Å; V258-M268 HydrophobicContact CG2-CB 4.44Å; V258-M268 HydrophobicContact CG2-CG 4.08Å
269	M	30	Very low	31	Very low	106 Å²	106	125.9 Å²	125.9	52%	0.522	69%	0.689	S	S	.	*			trans	-161.8	140.7	171.3	-89.1	-141.6	-174.1	0	0	109.3	R256 A257	R256-M269 CarbonylContact C-O 3.52Å; R256-M269 HydrophobicContact CB-CB 3.57Å; R256-M269 HydrophobicContact CB-SD 4.45Å; R256-M269 WeakPolarHBondContact CD-SD 3.37Å; R256-M269 HydrophobicContact CG-CB 3.81Å; R256-M269 HydrophobicContact CG-CG 4.25Å; R256-M269 HydrophobicContact CG-SD 3.72Å; R256-M269 VanDerWaalsContact O-O 3.08Å; A257-M269 PolarHBondContact N-O 3.02Å
270	D	29.4	Very low	30.7	Very low	77 Å²	77	122 Å²	122	41%	0.412	69%	0.687	S	S	.	*			trans	-113.8	143.2	-177.7	167.1	47.6	0	0	0	117.1	R256 Q272	R256-D270 WeakPolarHBondContact CB-O 3.33Å; R256-D270 WeakPolarHBondContact CD-O 3.14Å; R256-D270 WeakPolarHBondContact CG-O 3.47Å; R256-D270 PolarHBondContact NE-O 3.27Å; R256-D270 PolarHBondContact NH2-O 3.11Å; D270-Q272 PolarHBondContact OD2-NE2 2.76Å
271	T	43.3	Very low	30.6	Very low	79 Å²	79	119 Å²	119	49%	0.485	69%	0.693	S	S	.	*			trans	-102.1	120.9	-179.2	53.3	0	0	0	0	114.4	V255 R256	V255-T271 HydrophobicContact CB-CG2 4.5Å; V255-T271 HydrophobicContact CG1-CG2 4.2Å; R256-T271 HydrophobicContact CB-CG2 4.05Å
272	Q	29.2	Very low	30.2	Very low	168 Å²	168	122 Å²	122	79%	0.785	71%	0.713	S	S	*	*			trans	-133.3	134.3	173.3	-63.4	-172.3	27.8	0	0	113	D270	D270-Q272 PolarHBondContact OD2-NE2 2.76Å
273	T	30	Very low	29.6	Very low	146 Å²	146	121.8 Å²	121.8	90%	0.896	71%	0.707	S	S	*	*			trans	-112	133.9	168.9	-51.6	0	0	0	0	107.8
274	R	25.3	Very low	29.7	Very low	247 Å²	247	123.2 Å²	123.2	93%	0.932	71%	0.71	S	S	*	*			trans	-136.7	139	167.4	-162.4	168	-177.2	167.4	-0	110.1
275	A	29.9	Very low	29.3	Very low	86 Å²	86	127.9 Å²	127.9	71%	0.711	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-83.5	151.5	-173.1	0	0	0	0	0	112.5	P277	A275-P277 WeakPolarHBondContact O-CD 3.33Å
276	N	27	Very low	29.2	Very low	164 Å²	164	129.5 Å²	129.5	88%	0.877	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-81.8	125.1	161.3	-80.7	-6.5	0	0	0	110.1
277	P	34.9	Very low	29.2	Very low	124 Å²	124	134.8 Å²	134.8	81%	0.805	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-84.9	137.1	144.4	34	-27.6	0	0	0	109	A275	A275-P277 WeakPolarHBondContact O-CD 3.33Å
278	G	27.4	Very low	29	Very low	74 Å²	74	131 Å²	131	76%	0.763	75%	0.752	S	S	*	*			trans	-113	118.4	174.7	0	0	0	0	0	111.5
279	H	27.7	Very low	28.8	Very low	170 Å²	170	132 Å²	132	79%	0.787	76%	0.755	S	S	*	*			trans	-157.4	129.2	155.1	-134.8	-84.2	0	0	0	112.5
280	T	27.8	Very low	28.7	Very low	117 Å²	117	133.7 Å²	133.7	72%	0.718	76%	0.761	S	S	*	*			trans	28.5	100.9	156.7	52.9	0	0	0	0	120.3
281	G	25.2	Very low	28.7	Very low	75 Å²	75	138 Å²	138	77%	0.773	78%	0.779	S	S	*	*				60.2	120	117.5	0	0	0	0	0	121.4
282	C	25	Very low	28.5	Very low	136 Å²	136	138.8 Å²	138.8	92%	0.919	79%	0.786	S	S	*	*				-175.9	126.6	119	-97.1	0	0	0	0	110.9
283	D	23.6	Very low	28.4	Very low	155 Å²	155	142.9 Å²	142.9	83%	0.829	79%	0.794	S	S	*	*			trans	-73.9	167.6	150.9	-82.7	-64.9	0	0	0	109.2
284	P	40.5	Very low	28.2	Very low	108 Å²	108	139.4 Å²	139.4	70%	0.701	79%	0.787	S	S	*	*			cis	-140.5	-175.8	18.4	38	-17	0	0	0	117.1
285	L	23.9	Very low	28.4	Very low	155 Å²	155	134.1 Å²	134.1	81%	0.812	78%	0.777	S	S	*	*				118.1	156.6	128.8	-137.2	114.3	0	0	0	118.6
286	L	28.4	Very low	28.4	Very low	150 Å²	150	142 Å²	142	79%	0.785	79%	0.788	S	S	*	*			trans	-89.9	156.4	-166.3	-58.4	158.2	0	0	0	112.3
287	E	24.7	Very low	28.5	Very low	180 Å²	180	140.5 Å²	140.5	84%	0.841	78%	0.781	S	S	*	*				170.5	141.4	129.7	-89.5	173.5	164.7	0	0	106.6
288	A	26.4	Very low	28.9	Very low	85 Å²	85	140 Å²	140	70%	0.702	78%	0.778	S	S	*	*				65.2	133.9	53.1	0	0	0	0	0	112.1
289	E	26.1	Very low	29.1	Very low	171 Å²	171	142 Å²	142	80%	0.799	77%	0.774	S	S	*	*			cis	-157.3	157.7	-2.4	-140	-175.2	160.5	0	0	110.7
290	E	27	Very low	29.2	Very low	140 Å²	140	140.3 Å²	140.3	65%	0.654	77%	0.771	S	S	*	*			trans	54.7	179.3	156.4	-64.5	-129.7	102.5	0	0	119.9
291	Q	28.8	Very low	29.1	Very low	168 Å²	168	140.1 Å²	140.1	79%	0.785	77%	0.77	S	S	*	*			cis	-131.4	162.1	1.2	-97.5	-157.7	-7.7	0	0	114.4
292	P	39.2	Very low	29.1	Very low	96 Å²	96	142.7 Å²	142.7	62%	0.623	77%	0.771	S	S	*	*			trans	-111.1	172.5	-170.3	42.1	-35.7	0	0	0	116
293	R	27.4	Very low	29.3	Very low	254 Å²	254	144.3 Å²	144.3	96%	0.958	77%	0.767	S	S	*	*			trans	-159.2	150.6	150.7	-97.1	162.5	-148.4	-112.2	1.9	107.8
294	G	26.5	Very low	30.4	Very low	73 Å²	73	141.8 Å²	141.8	75%	0.753	76%	0.759	S	S	*	*			cis	-177.3	60.2	3.6	0	0	0	0	0	113.7
295	N	28.3	Very low	29.7	Very low	135 Å²	135	144.5 Å²	144.5	72%	0.722	77%	0.767	S	S	*	*			trans	21.5	128.1	145.1	-164.3	8.9	0	0	0	120.4
296	R	30.1	Very low	29.8	Very low	251 Å²	251	141.5 Å²	141.5	95%	0.947	76%	0.764	S	S	*	*			trans	-159.1	93.4	148.5	-110.1	162.4	-156.5	-136.1	1.7	114.2
297	N	29.3	Very low	29.8	Very low	134 Å²	134	139.8 Å²	139.8	72%	0.717	77%	0.765	S	S	*	*			trans	-68	168.7	158.5	-91.8	-15.2	0	0	0	111.1
298	P	44.6	Very low	31	Very low	114 Å²	114	137.5 Å²	137.5	74%	0.74	77%	0.766	S	S	*	*				-148.6	152.2	55.6	43	-21	0	0	0	118.2
299	V	30.8	Very low	30.9	Very low	114 Å²	114	137.2 Å²	137.2	69%	0.691	77%	0.771	S	S	*	*				63.8	133.1	92	-172.7	0	0	0	0	113.2
300	N	28.8	Very low	31.2	Very low	136 Å²	136	133.2 Å²	133.2	73%	0.727	77%	0.767	S	S	*	*			cis	-159.5	150.8	38.8	-139.1	-11.8	0	0	0	115.6
301	T	26.2	Very low	31.3	Very low	112 Å²	112	133 Å²	133	69%	0.687	78%	0.775	S	S	*	*			trans	19.1	131.6	134.1	-46.2	0	0	0	0	119.8
302	T	25.6	Very low	32.2	Very low	130 Å²	130	130 Å²	130	80%	0.798	77%	0.77	S	S	*	*				-171.5	164.4	71.7	-40.3	0	0	0	0	114.9
303	M	28.8	Very low	31.8	Very low	169 Å²	169	134 Å²	134	83%	0.833	78%	0.781	S	S	*	*			trans	-54.5	-178	171.1	-71.5	-68.3	-162.6	0	0	118.6
304	P	47.4	Very low	31.8	Very low	103 Å²	103	128 Å²	128	67%	0.669	77%	0.772	S	S	*	*			cis	-142.1	-179.1	-26.1	35	-13.4	0	0	0	117.9
305	L	25.5	Very low	32.8	Very low	165 Å²	165	129.4 Å²	129.4	86%	0.864	77%	0.769	S	S	*	*			trans	74.6	139	142.1	-118	74.1	0	0	0	125.8
306	A	25.2	Very low	33.2	Very low	91 Å²	91	128.3 Å²	128.3	75%	0.752	77%	0.771	S	S	*	*			trans	85.5	150.8	140.5	0	0	0	0	0	123.5
307	S	28.8	Very low	33.4	Very low	114 Å²	114	120.9 Å²	120.9	80%	0.797	76%	0.758	S	S	*	*			trans	-122.3	-166.6	168.6	-41.7	0	0	0	0	107.5
308	P	50	Low	33.6	Very low	133 Å²	133	121.3 Å²	121.3	86%	0.864	76%	0.759	S	S	*	*			cis	-132.7	-167.8	-8.6	42.8	-24.8	0	0	0	113.6
309	G	24.9	Very low	32.8	Very low	78 Å²	78	122.5 Å²	122.5	80%	0.804	76%	0.759	S	S	*	*			trans	172.4	152.7	167.1	0	0	0	0	0	114.6
310	A	31.5	Very low	32.7	Very low	88 Å²	88	122.8 Å²	122.8	73%	0.727	76%	0.761	S	S	*	*			trans	-158.5	-174.1	-177.9	0	0	0	0	0	113
311	T	29.6	Very low	32.6	Very low	134 Å²	134	124.3 Å²	124.3	82%	0.822	77%	0.769	S	S	*	*			trans	85.5	167	166.5	80.3	0	0	0	0	117.3
312	P	48.3	Very low	32.6	Very low	105 Å²	105	123.4 Å²	123.4	68%	0.682	77%	0.773	S	S	*	*			cis	-142.8	-172.3	-45.4	33.1	-12.1	0	0	0	116.5
313	Q	30.5	Very low	32.6	Very low	181 Å²	181	123.1 Å²	123.1	85%	0.846	77%	0.771	S	S	*	*			trans	120.6	171.5	146.2	-50.3	-139.1	61	0	0	120
314	T	26.5	Very low	32.4	Very low	127 Å²	127	120.8 Å²	120.8	78%	0.779	77%	0.767	S	S	*	*			trans	-150.2	-161.8	-140.5	-7	0	0	0	0	111.2
315	P	48.7	Very low	31.4	Very low	104 Å²	104	122 Å²	122	68%	0.675	77%	0.773	S	S	*	*			cis	-142.7	170.7	-22	37.2	-16.4	0	0	0	119.4
316	S	36.1	Very low	31.3	Very low	111 Å²	111	119.2 Å²	119.2	78%	0.776	77%	0.767	S	S	*	*			trans	75.2	166	146.6	87.6	0	0	0	0	120.7
317	S	34.9	Very low	31.5	Very low	96 Å²	96	121.4 Å²	121.4	67%	0.671	77%	0.77	S	S	*	*			cis	-155.4	137.8	15.2	-88.3	0	0	0	0	117
318	I	32.3	Very low	31.4	Very low	143 Å²	143	122.7 Å²	122.7	73%	0.733	77%	0.768	S	S	*	*			trans	36.2	127.5	133.2	-23.6	176.4	0	0	0	122.5
319	N	28.5	Very low	30.4	Very low	138 Å²	138	123.1 Å²	123.1	74%	0.738	76%	0.759	S	S	*	*				172.4	127.6	96.6	-97.7	-32.2	0	0	0	111.8
320	T	28.2	Very low	30.5	Very low	120 Å²	120	127.3 Å²	127.3	74%	0.736	76%	0.755	S	S	*	*				89.1	109.9	81.3	62.2	0	0	0	0	120.2
321	D	27	Very low	30.4	Very low	169 Å²	169	129.2 Å²	129.2	90%	0.904	75%	0.753	S	S	*	*			trans	78.7	165.1	134.1	-130.6	-14.8	0	0	0	125.3
322	A	26.9	Very low	30.3	Very low	92 Å²	92	131.4 Å²	131.4	76%	0.76	75%	0.751	S	S	*	*			trans	94.8	166.8	163.6	0	0	0	0	0	121.7
323	T	24.5	Very low	29.4	Very low	125 Å²	125	130.8 Å²	130.8	77%	0.767	75%	0.754	S	S	*	*			trans	-140.2	164.9	-151.1	-48.2	0	0	0	0	113.6
324	T	24.6	Very low	29.3	Very low	119 Å²	119	131.9 Å²	131.9	73%	0.73	76%	0.757	S	S	*	*			trans	111.1	142.6	154	69.5	0	0	0	0	120
325	T	26.3	Very low	29.6	Very low	130 Å²	130	130.6 Å²	130.6	80%	0.798	76%	0.759	S	S	*	*			trans	47.7	127	158.8	45.3	0	0	0	0	120.4
326	S	23.7	Very low	28.6	Very low	106 Å²	106	132.1 Å²	132.1	74%	0.741	77%	0.766	S	S	*	*			cis	95.2	93.4	35.4	-176.8	0	0	0	0	114.5
327	V	29.1	Very low	28.3	Very low	136 Å²	136	132.3 Å²	132.3	82%	0.824	77%	0.765	S	S	*	*			trans	-155.6	140.2	140.7	-98.5	0	0	0	0	110.8
328	D	28.2	Very low	28	Very low	141 Å²	141	133.6 Å²	133.6	75%	0.754	77%	0.772	S	S	*	*			trans	-14.9	162.7	147.1	-59.6	-75.7	0	0	0	119.4
329	E	28.3	Very low	28	Very low	143 Å²	143	132.7 Å²	132.7	67%	0.668	78%	0.776	S	S	*	*			cis	-155.5	146.6	16.6	-143.3	-174.5	132.8	0	0	112.5
330	F	26.7	Very low	28	Very low	166 Å²	166	130.6 Å²	130.6	73%	0.728	78%	0.778	S	S	*	*			trans	57.4	148.8	148.4	-78.7	-157.4	0	0	0	121.3
331	L	29.1	Very low	28.2	Very low	128 Å²	128	130.9 Å²	130.9	67%	0.67	78%	0.782	S	S	*	*			cis	-159.7	-179.9	-3.4	-126.1	179.8	0	0	0	112.4
332	F	27.3	Very low	28.4	Very low	180 Å²	180	126.9 Å²	126.9	79%	0.789	77%	0.772	S	S	*	*			trans	80.2	94.8	162.2	-97.1	-84	0	0	0	121.6
333	A	29.9	Very low	28.7	Very low	91 Å²	91	128.7 Å²	128.7	75%	0.752	78%	0.776	S	S	*	*			trans	45.2	107.7	135.7	0	0	0	0	0	120.8
334	K	28.2	Very low	28.8	Very low	205 Å²	205	131.1 Å²	131.1	89%	0.891	78%	0.783	S	S	*	*			trans	-123	146.4	150.7	-89.6	-178.3	174.8	174.1	0	110.6
335	A	32.3	Very low	29.3	Very low	100 Å²	100	131.1 Å²	131.1	83%	0.826	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-75.4	137.7	175.3	0	0	0	0	0	111.4
336	T	27.7	Very low	29.3	Very low	135 Å²	135	131 Å²	131	83%	0.828	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-84.9	125.3	-179.3	-48.1	0	0	0	0	111.3
337	P	31.4	Very low	29.7	Very low	115 Å²	115	136.7 Å²	136.7	75%	0.747	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-68.3	163.4	171.3	-19.7	33.7	0	0	0	113.2
338	C	27.5	Very low	29.9	Very low	123 Å²	123	135.6 Å²	135.6	83%	0.831	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-68.6	142.2	176.9	-67.4	0	0	0	0	112.3
339	P	31.8	Very low	30.2	Very low	125 Å²	125	132.3 Å²	132.3	81%	0.812	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-70.9	154.7	168	31.4	-34.7	0	0	0	111.5
340	A	30	Very low	30.2	Very low	94 Å²	94	132.7 Å²	132.7	78%	0.777	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-68.2	148.9	-178	0	0	0	0	0	113	A342	A340-A342 PolarHBondContact O-N 3.1Å
341	P	31.2	Very low	30.6	Very low	126 Å²	126	131.7 Å²	131.7	82%	0.818	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-71.9	128.5	177.3	29.1	-34	0	0	0	112
342	A	32	Very low	30.8	Very low	85 Å²	85	132.6 Å²	132.6	70%	0.702	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-63	155.5	161.9	0	0	0	0	0	110.5	A340	A340-A342 PolarHBondContact O-N 3.1Å
343	P	32.7	Very low	31	Very low	129 Å²	129	131.3 Å²	131.3	84%	0.838	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-58.9	138.8	-171.1	21.7	-33.7	0	0	0	113.4
344	L	26	Very low	31	Very low	176 Å²	176	137.6 Å²	137.6	92%	0.921	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-66.1	143.3	-177.9	-93	166.4	0	0	0	112.5	D346	L344-D346 PolarHBondContact O-N 3.48Å
345	V	35.4	Very low	31.1	Very low	120 Å²	120	135.6 Å²	135.6	73%	0.727	79%	0.794	S	S	*	*			trans	-78.4	109.7	176.6	-170.7	0	0	0	0	109	R347	V345-R347 HydrophobicContact CG1-CG 4.45Å; V345-R347 PolarHBondContact O-N 2.99Å
346	D	26.4	Very low	31.2	Very low	126 Å²	126	140.4 Å²	140.4	67%	0.674	79%	0.791	S	S	*	*			trans	-65.1	131.3	170	-173.8	16.8	0	0	0	110	L344 T348	L344-D346 PolarHBondContact O-N 3.48Å; D346-T348 PolarHBondContact OD1-N 3.2Å; D346-T348 PolarHBondContact OD2-OG1 3.33Å
347	R	32.8	Very low	31.6	Very low	227 Å²	227	139 Å²	139	86%	0.857	78%	0.778	S	S	*	*			trans	-128.3	59.4	177.7	-82.3	-171.9	122.5	140.9	0.8	110	V345 G349	V345-R347 HydrophobicContact CG1-CG 4.45Å; V345-R347 PolarHBondContact O-N 2.99Å; R347-G349 PolarHBondContact O-N 3.18Å
348	T	33.1	Very low	31.3	Very low	112 Å²	112	140.3 Å²	140.3	69%	0.687	78%	0.776	S	S	*	*			trans	-58.8	116	162.1	20.3	0	0	0	0	109.8	D346 D350	D346-T348 PolarHBondContact OD1-N 3.2Å; D346-T348 PolarHBondContact OD2-OG1 3.33Å; T348-D350 PolarHBondContact O-N 2.81Å
349	G	34.8	Very low	31.7	Very low	72 Å²	72	139.4 Å²	139.4	74%	0.742	77%	0.771	S	S	*	*			trans	-91.5	70.9	-165.7	0	0	0	0	0	115	R347 I351	R347-G349 PolarHBondContact O-N 3.18Å; G349-I351 PolarHBondContact O-N 3.33Å
350	D	27.4	Very low	31.8	Very low	151 Å²	151	137.7 Å²	137.7	81%	0.807	76%	0.762	S	S	*	*			trans	-73.3	106.3	167.8	-83.5	-40.5	0	0	0	110.9	T348 D352	T348-D350 PolarHBondContact O-N 2.81Å; D350-D352 PolarHBondContact O-N 3.12Å; D350-D352 VanDerWaalsContact O-N 3.07Å
351	I	35.2	Very low	32.2	Very low	146 Å²	146	137.8 Å²	137.8	75%	0.749	75%	0.746	S	S	*	*			trans	-85.5	60.7	170.8	-50.6	-178.7	0	0	0	109.4	G349 L353	G349-I351 PolarHBondContact O-N 3.33Å; I351-L353 HydrophobicContact CG2-CD2 3.96Å; I351-L353 HydrophobicContact CG2-CG 4.12Å; I351-L353 PolarHBondContact O-N 2.91Å
352	D	33.2	Very low	32.2	Very low	147 Å²	147	139.8 Å²	139.8	79%	0.786	75%	0.75	S	S	*	*			trans	-77	96.2	164.6	-109.7	-8.9	0	0	0	108.2	D350 Y354	D350-D352 PolarHBondContact O-N 3.12Å; D350-D352 VanDerWaalsContact O-N 3.07Å; D352-Y354 PolarHBondContact O-N 3.16Å
353	L	31.9	Very low	32.3	Very low	152 Å²	152	140.7 Å²	140.7	80%	0.796	74%	0.74	S	S	*	*			trans	-67.9	118.6	-179.9	-70.1	178.3	0	0	0	110.8	I351 D355	I351-L353 HydrophobicContact CG2-CD2 3.96Å; I351-L353 HydrophobicContact CG2-CG 4.12Å; I351-L353 PolarHBondContact O-N 2.91Å; L353-D355 PolarHBondContact O-N 3.23Å
354	Y	30	Very low	32.7	Very low	224 Å²	224	139.6 Å²	139.6	88%	0.878	73%	0.727	S	S	*	*			trans	-46.3	115	177.7	-87.7	-114.5	0	0	0	113.1	D352 R356	D352-Y354 PolarHBondContact O-N 3.16Å; Y354-R356 PolarHBondContact O-N 3.29Å
355	D	30.6	Very low	33	Very low	162 Å²	162	136.8 Å²	136.8	87%	0.866	71%	0.709	S	S	*	*			trans	-75.3	90.8	162.5	-162.4	-5	0	0	0	108.3	L353 N357	L353-D355 PolarHBondContact O-N 3.23Å; D355-N357 PolarHBondContact O-N 3.47Å
356	R	34.5	Very low	32.7	Very low	201 Å²	201	137.5 Å²	137.5	76%	0.758	71%	0.708	S	S	*	*			trans	-69	118.7	-170.7	-174.2	171.7	174.5	142.7	-4	110.2	Y354 M358	Y354-R356 PolarHBondContact O-N 3.29Å; R356-M358 PolarHBondContact O-N 2.95Å
357	N	35.8	Very low	33.1	Very low	105 Å²	105	140 Å²	140	56%	0.561	71%	0.713	S	S	*	*			trans	-49.4	96.8	-174	-170.5	114.2	0	0	0	113.6	D355 K470	D355-N357 PolarHBondContact O-N 3.47Å; N357-K470 PolarHBondContact OD1-NZ 3.08Å
358	M	25.8	Very low	33.1	Very low	144 Å²	144	140.6 Å²	140.6	71%	0.709	72%	0.715	S	S	*	*			trans	-108.4	112.3	174.1	-74.7	-66.4	148.6	0	0	111.2	R356	R356-M358 PolarHBondContact O-N 2.95Å
359	S	34.7	Very low	33	Very low	104 Å²	104	145 Å²	145	73%	0.727	73%	0.725	S	S	*	*			trans	-113.8	93.8	161.7	-71.7	0	0	0	0	107.7
360	S	34.3	Very low	32.6	Very low	88 Å²	88	147.5 Å²	147.5	62%	0.615	73%	0.731	S	S	*	*			trans	-156.2	162.7	159.5	60.7	0	0	0	0	108.3
361	E	39.4	Very low	32.5	Very low	96 Å²	96	143.4 Å²	143.4	45%	0.449	72%	0.724	S	S	.	*			trans	-57.4	150.2	171.3	45	-94	80.3	0	0	113.8
362	D	29.5	Very low	32.1	Very low	168 Å²	168	142.3 Å²	142.3	90%	0.898	73%	0.73	S	S	*	*			trans	-163.9	160.6	134	-111.3	-32.8	0	0	0	110.4
363	E	35	Very low	31.8	Very low	104 Å²	104	140.1 Å²	140.1	49%	0.486	73%	0.726	S	S	.	*			trans	-99.6	164.4	-156.2	-66.6	-151.2	110.3	0	0	117.7	V440	E363-V440 WeakPolarHBondContact OE1-CB 3.3Å; E363-V440 WeakPolarHBondContact OE1-CG2 3.41Å; E363-V440 PolarHBondContact OE1-N 2.98Å
364	L	40.8	Very low	31.4	Very low	107 Å²	107	141.1 Å²	141.1	56%	0.56	73%	0.732	S	S	*	*			trans	19.4	138.1	130.9	-54.8	177.2	0	0	0	119.2
365	E	31.9	Very low	31.4	Very low	117 Å²	117	139.3 Å²	139.3	55%	0.547	73%	0.732	S	S	.	*			cis	-126.2	-152	-7.5	-56.3	-156.8	132	0	0	110	R442	E365-R442 IonicContact OE1-CZ 3.99Å; E365-R442 IonicContact OE1-NE 2.73Å; E365-R442 PolarHBondContact OE1-NE 3.48Å; E365-R442 IonicContact OE1-NH2 2.87Å; E365-R442 PolarHBondContact OE1-NH2 3.49Å; E365-R442 IonicContact OE2-CZ 3.86Å; E365-R442 IonicContact OE2-NH2 3.21Å; E365-R442 PolarHBondContact OE2-NH2 3.41Å
366	D	29	Very low	31.5	Very low	135 Å²	135	138.1 Å²	138.1	72%	0.722	73%	0.725	S	S	*	*			cis	-147.5	165.4	38.3	-178.1	21.2	0	0	0	110.7
367	K	35.9	Very low	31.1	Very low	177 Å²	177	138 Å²	138	77%	0.77	73%	0.73	S	S	*	*			trans	-134.9	91.4	-155.7	-177.5	-177.1	179.6	-178.7	0	111.9
368	R	32.5	Very low	30.9	Very low	240 Å²	240	139.8 Å²	139.8	91%	0.906	74%	0.735	S	S	*	*			trans	-112.2	143.6	164.7	-63.4	-167.7	-173.4	-167	2	111.3
369	K	30.4	Very low	31.1	Very low	204 Å²	204	139 Å²	139	89%	0.887	74%	0.741	S	S	*	*			trans	-129.9	116.3	-160.1	177.2	-174.9	176	-174.1	0	111
370	S	26.6	Very low	30.8	Very low	126 Å²	126	144.5 Å²	144.5	88%	0.881	75%	0.747	S	S	*	*			trans	-140.4	143.6	154	51.9	0	0	0	0	108.5
371	G	24.7	Very low	30.9	Very low	64 Å²	64	145.1 Å²	145.1	66%	0.66	75%	0.749	S	S	*	*			cis	145.5	92.7	-10.2	0	0	0	0	0	111.5
372	S	26.8	Very low	30.4	Very low	123 Å²	123	149.6 Å²	149.6	86%	0.86	77%	0.77	S	S	*	*			trans	61	152.2	-166.7	-83.5	0	0	0	0	114.3
373	S	27.8	Very low	30.3	Very low	101 Å²	101	151.2 Å²	151.2	71%	0.706	77%	0.769	S	S	*	*			cis	-155.5	137	-13.8	43	0	0	0	0	108
374	D	24.3	Very low	29.9	Very low	173 Å²	173	155.9 Å²	155.9	93%	0.925	79%	0.788	S	S	*	*			trans	-133.1	130.6	162	-101	-47.2	0	0	0	107.4
375	E	28.9	Very low	29.2	Very low	186 Å²	186	157.7 Å²	157.7	87%	0.869	80%	0.803	S	S	*	*			trans	-83.6	167	-174.6	-74.6	-115.2	106.8	0	0	112.6	F377	E375-F377 PolarHBondContact O-N 3.13Å
376	L	32.4	Very low	29	Very low	137 Å²	137	156.8 Å²	156.8	72%	0.717	82%	0.815	S	S	*	*			trans	-38	125.1	168.7	-177.7	70.2	0	0	0	113.8	E378	L376-E378 HydrophobicContact CD1-CG 3.99Å; L376-E378 HydrophobicContact CG-CG 4.4Å
377	F	26.4	Very low	28.9	Very low	200 Å²	200	155.6 Å²	155.6	88%	0.877	82%	0.817	S	S	*	*			trans	-141.2	117.7	151.7	-138.2	-86.5	0	0	0	111.5	E375	E375-F377 PolarHBondContact O-N 3.13Å
378	E	31.3	Very low	28.6	Very low	142 Å²	142	153.3 Å²	153.3	66%	0.664	82%	0.821	S	S	*	*			trans	-86.6	135.6	-176.7	-60.5	-178	119.4	0	0	111.8	L376	L376-E378 HydrophobicContact CD1-CG 3.99Å; L376-E378 HydrophobicContact CG-CG 4.4Å
379	P	30.4	Very low	28.4	Very low	128 Å²	128	151.8 Å²	151.8	83%	0.831	82%	0.821	S	S	*	*			trans	-81.1	115.3	161	-12.3	29.6	0	0	0	110.5
380	Y	28.9	Very low	28.3	Very low	218 Å²	218	151.4 Å²	151.4	86%	0.855	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-67.4	150.6	175.1	-136.1	-116.4	0	0	0	111.6
381	P	36.3	Very low	28.4	Very low	102 Å²	102	157.6 Å²	157.6	66%	0.662	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-94.4	149.2	-155.5	35.2	-36.1	0	0	0	115.7
382	E	27.6	Very low	28.6	Very low	190 Å²	190	160.7 Å²	160.7	89%	0.888	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-86.5	140.5	162.6	-70.8	-162.4	145.3	0	0	112.1
383	K	28.2	Very low	28.7	Very low	201 Å²	201	165.5 Å²	165.5	87%	0.874	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-84.1	125.4	-174.9	-58.3	170.6	-176.6	174	0	111.4
384	K	27.6	Very low	28.8	Very low	203 Å²	203	171.4 Å²	171.4	88%	0.883	84%	0.836	S	S	*	*			trans	-135.7	142.8	154.5	-69	-166.5	178.2	-178.4	0	110.8
385	V	26.3	Very low	29.2	Very low	144 Å²	144	173 Å²	173	87%	0.873	83%	0.834	S	S	*	*			trans	-99.3	132.2	-167.8	178.6	0	0	0	0	110.7
386	A	27.4	Very low	29.3	Very low	98 Å²	98	173.3 Å²	173.3	81%	0.81	84%	0.836	S	S	*	*			trans	-152.9	134.4	164.4	0	0	0	0	0	110.4
387	S	25.5	Very low	29.1	Very low	110 Å²	110	170.2 Å²	170.2	77%	0.769	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-85.6	145.7	-170.1	-50.4	0	0	0	0	113.6
388	P	30.9	Very low	29.3	Very low	130 Å²	130	170.1 Å²	170.1	84%	0.844	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-79.9	139.9	-179	31.9	-35	0	0	0	113
389	K	28.3	Very low	29.2	Very low	208 Å²	208	169.5 Å²	169.5	90%	0.904	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-98.9	130.1	166.4	-80.4	-174.2	175.4	179	0	111.1
390	K	28.3	Very low	29.5	Very low	196 Å²	196	168.6 Å²	168.6	85%	0.852	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-59.9	140.2	178	-58.9	170.6	179.3	175.3	0	111.7
391	R	29	Very low	29.7	Very low	256 Å²	256	168.5 Å²	168.5	97%	0.966	83%	0.833	S	S	*	*			trans	-137.4	125.4	139.3	-67.3	-160.9	88.8	170.9	6.3	110.4
392	T	27.4	Very low	29.4	Very low	128 Å²	128	172 Å²	172	79%	0.785	84%	0.841	S	S	*	*			trans	-96.9	141.4	179.2	48.7	0	0	0	0	111.4
393	R	28.8	Very low	30	Very low	225 Å²	225	166.8 Å²	166.8	85%	0.849	82%	0.824	S	S	*	*			trans	-161	125.5	134.1	-135	172.6	-179.7	173.9	-1.7	114.3
394	R	30.5	Very low	30	Very low	225 Å²	225	166.6 Å²	166.6	85%	0.849	82%	0.823	S	S	*	*			trans	26.6	124.8	151.4	-64.5	-176.3	175.8	-177.2	-4.3	120.5
395	K	32.5	Very low	30.3	Very low	205 Å²	205	163.2 Å²	163.2	89%	0.891	82%	0.819	S	S	*	*			trans	-121.6	133.6	147.2	-119.8	-173.4	-179.7	-177.3	0	106.9
396	E	31.2	Very low	30.7	Very low	193 Å²	193	167.5 Å²	167.5	90%	0.902	82%	0.82	S	S	*	*			trans	179	145.8	167.5	-102.8	170.2	-172.1	0	0	107.2
397	A	28.7	Very low	31.1	Very low	73 Å²	73	172.5 Å²	172.5	60%	0.603	82%	0.823	S	S	*	*			cis	-163.5	162.1	-14.4	0	0	0	0	0	111.3
398	K	29.8	Very low	31.7	Very low	197 Å²	197	177 Å²	177	86%	0.857	83%	0.828	S	S	*	*			trans	67.1	155.4	154	-68.1	166.6	-177.3	176.5	0	116.3
399	T	30.5	Very low	32.1	Very low	130 Å²	130	176.9 Å²	176.9	80%	0.798	83%	0.828	S	S	*	*			cis	-148.4	166.1	2.5	-1.8	0	0	0	0	110
400	P	36.6	Very low	32.3	Very low	109 Å²	109	170.2 Å²	170.2	71%	0.708	82%	0.819	S	S	*	*			trans	-107.7	173.8	-162.1	41.4	-35.5	0	0	0	115.8
401	K	32.3	Very low	33.1	Very low	215 Å²	215	166.8 Å²	166.8	94%	0.935	82%	0.816	S	S	*	*			trans	-162.3	163.5	139.3	-106.6	161.4	-171.8	-178.9	0	112.3
402	E	31	Very low	33.4	Very low	177 Å²	177	164.3 Å²	164.3	83%	0.827	81%	0.812	S	S	*	*			trans	-130.5	-175.9	-165.2	-106.2	-158.1	127.9	0	0	109.9
403	P	38.4	Very low	34	Very low	80 Å²	80	163.3 Å²	163.3	52%	0.519	81%	0.808	S	S	.	*			cis	-140.7	-171.8	-36.4	39.7	-22.2	0	0	0	113.8
404	K	28.7	Very low	34.7	Very low	196 Å²	196	156.4 Å²	156.4	85%	0.852	81%	0.807	S	S	*	*			trans	68.5	154	164.2	-58.8	161.3	-172	171.1	0	114.1
405	V	33.8	Very low	35.1	Very low	133 Å²	133	156.8 Å²	156.8	81%	0.806	81%	0.808	S	S	*	*			cis	-144.2	154.9	34.3	164.7	0	0	0	0	111.6
406	R	36	Very low	35.7	Very low	234 Å²	234	157 Å²	157	88%	0.883	81%	0.809	S	S	*	*			trans	-87.4	135.7	172.2	-61.8	161.7	74	-174.7	6	111.4
407	K	35	Very low	36.2	Very low	202 Å²	202	156.6 Å²	156.6	88%	0.878	80%	0.804	S	S	*	*			trans	-165.3	122	151.9	-106.2	157	-171.4	-177.3	0	111.9
408	K	38.4	Very low	36.6	Very low	204 Å²	204	158.2 Å²	158.2	89%	0.887	81%	0.809	S	S	*	*			trans	-101	144.2	150.4	-68.8	-175.7	177.8	-177.8	0	105.4
409	P	38.2	Very low	37.2	Very low	128 Å²	128	156.9 Å²	156.9	83%	0.831	81%	0.809	S	S	*	*				-137.3	175.6	78.6	26.6	-5.6	0	0	0	114.3
410	G	32.6	Very low	37.4	Very low	69 Å²	69	160 Å²	160	71%	0.711	81%	0.812	S	S	*	*			trans	-91.7	-153.6	162.6	0	0	0	0	0	111.1
411	P	46.5	Very low	37.4	Very low	123 Å²	123	159.4 Å²	159.4	80%	0.799	81%	0.81	S	S	*	*			cis	-124.7	161.3	-2.9	40.6	-27.9	0	0	0	113.8
412	K	35.3	Very low	37.7	Very low	205 Å²	205	157.7 Å²	157.7	89%	0.891	81%	0.806	S	S	*	*			trans	-170.7	168.7	161.1	-113.1	162.1	-170.8	179.1	0	111.1
413	P	40.2	Very low	38	Very low	107 Å²	107	160.2 Å²	160.2	70%	0.695	81%	0.808	S	S	*	*				-112.2	-177.1	-105.2	39.3	-29.2	0	0	0	114.7
414	G	41.9	Very low	38.4	Very low	79 Å²	79	164.1 Å²	164.1	81%	0.814	82%	0.819	S	S	*	*			trans	-65.5	130.6	-166.5	0	0	0	0	0	115.7
415	W	39.7	Very low	39.5	Very low	234 Å²	234	163.3 Å²	163.3	89%	0.886	82%	0.818	S	S	*	*			trans	-102.2	101	164.7	-80.5	63.7	0	0	0	109.6	K417	W415-K417 PolarHBondContact O-N 2.92Å
416	K	44.6	Very low	40.2	Very low	209 Å²	209	163.5 Å²	163.5	91%	0.909	81%	0.814	S	S	*	*			trans	-66.9	95	166.9	-65.8	-176.5	-178.5	179.8	0	108.4
417	K	43.1	Very low	41.3	Very low	184 Å²	184	155.5 Å²	155.5	80%	0.8	79%	0.792	S	S	*	*			trans	-70.1	125.3	165.8	-70.7	-169.4	176.9	-174.9	0	107.8	W415	W415-K417 PolarHBondContact O-N 2.92Å
418	P	36.3	Very low	43	Very low	108 Å²	108	150.9 Å²	150.9	70%	0.701	78%	0.777	S	S	*	*			trans	-66.5	139.8	-177.5	27.2	-34.1	0	0	0	110.3	K420	P418-K420 PolarHBondContact O-N 2.74Å
419	I	43	Very low	45.1	Very low	169 Å²	169	145.3 Å²	145.3	87%	0.867	76%	0.756	S	S	*	*			trans	-67.6	103.6	164.7	-62.8	169.5	0	0	0	106	S421	I419-S421 PolarHBondContact O-N 3.29Å
420	K	33.2	Very low	47.3	Very low	194 Å²	194	142.8 Å²	142.8	84%	0.843	73%	0.731	S	S	*	*			trans	-77.7	112.7	162.3	-73.7	-167	173.4	-168.9	0	107.2	P418	P418-K420 PolarHBondContact O-N 2.74Å
421	S	36.6	Very low	49.8	Very low	97 Å²	97	146.6 Å²	146.6	68%	0.678	73%	0.728	S	S	*	*			trans	-66.4	163.6	167	48.5	0	0	0	0	110.8	I419	I419-S421 PolarHBondContact O-N 3.29Å
422	E	39.2	Very low	51.6	Low	180 Å²	180	141.5 Å²	141.5	84%	0.841	70%	0.695	S	S	*	*			trans	64	70.3	145.8	-154.2	166.9	-167.7	0	0	117.7
423	R	37.4	Very low	53.9	Low	229 Å²	229	136 Å²	136	86%	0.864	68%	0.68	S	S	*	*				-127.4	118.1	112.8	174.9	166.5	-78	-140.3	-4.3	108.3	E425	R423-E425 PolarHBondContact O-N 3.03Å; R423-E425 VanDerWaalsContact O-N 3.09Å
424	E	47.4	Very low	55.8	Low	162 Å²	162	135.2 Å²	135.2	76%	0.757	66%	0.664	S	S	*	*			trans	-68.3	105.4	167.6	-64.3	-169.5	126	0	0	108.5	L426	E424-L426 PolarHBondContact O-N 3.39Å
425	E	51.4	Low	57.1	Low	180 Å²	180	140.8 Å²	140.8	84%	0.841	67%	0.669	S	S	*	*			trans	-69.3	85.6	158.7	-71.7	-169.7	170.5	0	0	107.6	R423	R423-E425 PolarHBondContact O-N 3.03Å; R423-E425 VanDerWaalsContact O-N 3.09Å
426	L	48	Very low	58.6	Low	136 Å²	136	133.5 Å²	133.5	71%	0.712	67%	0.666	S	S	*	*			trans	-43	124.8	168.8	-71	170.8	0	0	0	108.3	E424 N428	E424-L426 PolarHBondContact O-N 3.39Å; L426-N428 PolarHBondContact O-N 3.43Å
427	P	59	Low	60.3	Low	66 Å²	66	124.5 Å²	124.5	43%	0.429	63%	0.629	S	S	.	*			trans	-52.5	119.4	177.3	-24.7	33	0	0	0	108.1	I429	P427-I429 WeakPolarHBondContact O-CB 3.31Å; P427-I429 WeakPolarHBondContact O-CD1 3.32Å; P427-I429 WeakPolarHBondContact O-CG1 3.21Å; P427-I429 PolarHBondContact O-N 3.26Å
428	N	71.8	Confident	62.1	Low	105 Å²	105	118.9 Å²	118.9	56%	0.561	61%	0.613	S	S	*	*			trans	-61.8	111.3	-166.4	-162.7	-1.6	0	0	0	109.2	L426 Y430 R442	L426-N428 PolarHBondContact O-N 3.43Å; N428-Y430 HydrophobicContact CB-CE2 3.82Å; N428-Y430 PolarHBondContact ND2-OH 3.04Å; N428-Y430 VanDerWaalsContact ND2-OH 3.14Å; N428-Y430 WeakPolarHBondContact O-CD2 3.47Å; N428-Y430 VanDerWaalsContact O-CE2 3.32Å; N428-Y430 WeakPolarHBondContact O-CE2 3.48Å; N428-R442 CarbonylContact O-C 3.26Å
429	I	82.4	Confident	64.4	Low	88 Å²	88	114.4 Å²	114.4	45%	0.451	59%	0.585	S	S	.	*			trans	-103.2	97.4	-162.5	-95.6	155.8	0	0	0	107.9	P427 K431 V440	P427-I429 WeakPolarHBondContact O-CB 3.31Å; P427-I429 WeakPolarHBondContact O-CD1 3.32Å; P427-I429 WeakPolarHBondContact O-CG1 3.21Å; P427-I429 PolarHBondContact O-N 3.26Å; I429-K431 HydrophobicContact CG2-CG 4.35Å; I429-K431 PolarHBondContact O-N 3.02Å; I429-V440 HydrophobicContact CB-CG1 4.45Å; I429-V440 HydrophobicContact CG1-CG1 4.37Å; I429-V440 HydrophobicContact CG2-CG1 3.55Å
430	Y	84.6	Confident	66.6	Low	75 Å²	75	108 Å²	108	29%	0.294	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.6	100.8	-177.9	-63.1	-92.3	0	0	0	108.9	N428 Y441 G443 A444 M447	N428-Y430 HydrophobicContact CB-CE2 3.82Å; N428-Y430 PolarHBondContact ND2-OH 3.04Å; N428-Y430 VanDerWaalsContact ND2-OH 3.14Å; N428-Y430 WeakPolarHBondContact O-CD2 3.47Å; N428-Y430 VanDerWaalsContact O-CE2 3.32Å; N428-Y430 WeakPolarHBondContact O-CE2 3.48Å; Y430-Y441 PolarHBondContact N-O 3.43Å; Y430-Y441 PolarHBondContact O-N 3.16Å; Y430-G443 VanDerWaalsContact CD2-CA 3.45Å; Y430-A444 HydrophobicContact CD1-CB 4.07Å; Y430-A444 VanDerWaalsContact CD2-N 3.32Å; Y430-A444 HydrophobicContact CE1-CB 3.67Å; Y430-A444 HydrophobicContact CE2-CB 4.21Å; Y430-A444 VanDerWaalsContact CE2-N 3.29Å; Y430-A444 HydrophobicContact CG-CB 4.49Å; Y430-M447 HydrophobicContact CD1-CE 4.26Å; Y430-M447 HydrophobicContact CD1-SD 4.46Å
431	K	83.9	Confident	69.2	Low	149 Å²	149	102 Å²	102	65%	0.648	53%	0.526	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.9	147.1	172.8	-58.7	-174	179.4	-174.8	0	110.3	I429 V440	I429-K431 HydrophobicContact CG2-CG 4.35Å; I429-K431 PolarHBondContact O-N 3.02Å; K431-V440 HydrophobicContact CG-CG1 4.49Å
432	C	85.1	Confident	71.7	Confident	15 Å²	15	104.2 Å²	104.2	10%	0.101	52%	0.52	C	S	.	.			trans	-61.6	132.2	174.9	-164.7	0	0	0	0	111.8	Y434 C437 A439 H450 H455	C432-Y434 PolarHBondContact O-N 3.24Å; C432-C437 HydrophobicContact CB-CB 4.18Å; C432-A439 PolarHBondContact N-O 2.92Å; C432-H450 VanDerWaalsContact SG-CD2 3.51Å; C432-H450 PolarHBondContact SG-NE2 3.41Å; C432-H455 PolarHBondContact SG-CE1 3.19Å
433	P	84.1	Confident	74	Confident	89 Å²	89	96.8 Å²	96.8	58%	0.578	49%	0.492	S	S	*	.			trans	-74.3	-6.3	177.1	-20.2	33.8	0	0	0	115.4	M447 I451	P433-M447 HydrophobicContact CG-SD 4.41Å; P433-I451 HydrophobicContact CG-CD1 4.07Å
434	Y	79.1	Confident	76.3	Confident	92 Å²	92	87.7 Å²	87.7	36%	0.361	47%	0.466	S	S	.	.	S	Bend	trans	-89.3	128.3	-172.4	-72.7	-100.1	0	0	0	111.3	C432 G436 C437 I451 H455	C432-Y434 PolarHBondContact O-N 3.24Å; Y434-G436 PolarHBondContact O-N 3.28Å; Y434-C437 PolarHBondContact O-N 2.82Å; Y434-C437 VanDerWaalsContact O-N 3.08Å; Y434-I451 HydrophobicContact CD2-CG1 4.23Å; Y434-I451 HydrophobicContact CE2-CB 4.3Å; Y434-I451 HydrophobicContact CE2-CD1 4.5Å; Y434-I451 HydrophobicContact CE2-CG1 3.96Å; Y434-I451 HydrophobicContact CE2-CG2 3.64Å; Y434-H455 HydrophobicContact CD1-CB 3.72Å; Y434-H455 AromaticContact CD1-CG 3.76Å; Y434-H455 HydrophobicContact CD2-CB 3.92Å; Y434-H455 AromaticContact CD2-CG 3.74Å; Y434-H455 AromaticContact CD2-ND1 3.55Å; Y434-H455 HydrophobicContact CE1-CB 3.58Å; Y434-H455 HydrophobicContact CE2-CB 3.8Å; Y434-H455 HydrophobicContact CG-CB 3.88Å; Y434-H455 AromaticContact CG-CD2 3.89Å; Y434-H455 AromaticContact CG-CG 3.53Å; Y434-H455 AromaticContact CG-ND1 3.65Å
435	Q	69.1	Low	78.2	Confident	196 Å²	196	86.5 Å²	86.5	92%	0.916	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	130	-179.6	-65	-63.8	-13.1	0	0	110.9
436	G	72.1	Confident	79.8	Confident	81 Å²	81	79.3 Å²	79.3	84%	0.835	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.9	-8.3	-176.6	0	0	0	0	0	115.7	Y434	Y434-G436 PolarHBondContact O-N 3.28Å
437	C	79	Confident	81.7	Confident	20 Å²	20	74.5 Å²	74.5	14%	0.135	41%	0.413	C	S	.	.			trans	-96.9	119	174.2	-169.6	0	0	0	0	111.8	C432 Y434 A439 H450	C432-C437 HydrophobicContact CB-CB 4.18Å; Y434-C437 PolarHBondContact O-N 2.82Å; Y434-C437 VanDerWaalsContact O-N 3.08Å; C437-A439 VanDerWaalsContact C-N 3.35Å; C437-H450 VanDerWaalsContact SG-CE1 3.51Å; C437-H450 PolarHBondContact SG-NE2 2.75Å; C437-H450 VanDerWaalsContact SG-NE2 3.38Å
438	S	82.3	Confident	83	Confident	66 Å²	66	78.5 Å²	78.5	46%	0.462	42%	0.424	S	S	.	.			trans	-77.9	-15.3	-178.8	58.5	0	0	0	0	114.5	V440	S438-V440 VanDerWaalsContact O-CG2 3.32Å; S438-V440 WeakPolarHBondContact O-CG2 3.49Å; S438-V440 PolarHBondContact O-N 3.2Å
439	A	84.4	Confident	83.6	Confident	14 Å²	14	78.9 Å²	78.9	12%	0.116	42%	0.42	C	S	.	.			trans	-61.8	129	-159.1	0	0	0	0	0	115.1	C432 C437 Y441	C432-A439 PolarHBondContact N-O 2.92Å; C437-A439 VanDerWaalsContact C-N 3.35Å; A439-Y441 HydrophobicContact CB-CE2 3.73Å
440	V	87.9	Confident	83.6	Confident	34 Å²	34	75.7 Å²	75.7	21%	0.206	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	138.1	-176.4	-167.5	0	0	0	0	112.3	E363 I429 K431 S438	E363-V440 WeakPolarHBondContact OE1-CB 3.3Å; E363-V440 WeakPolarHBondContact OE1-CG2 3.41Å; E363-V440 PolarHBondContact OE1-N 2.98Å; I429-V440 HydrophobicContact CB-CG1 4.45Å; I429-V440 HydrophobicContact CG1-CG1 4.37Å; I429-V440 HydrophobicContact CG2-CG1 3.55Å; K431-V440 HydrophobicContact CG-CG1 4.49Å; S438-V440 VanDerWaalsContact O-CG2 3.32Å; S438-V440 WeakPolarHBondContact O-CG2 3.49Å; S438-V440 PolarHBondContact O-N 3.2Å
441	Y	88.9	Confident	83.5	Confident	68 Å²	68	73 Å²	73	27%	0.267	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	130.7	-177.7	-62.4	-80.4	0	0	0	113	Y430 A439 G443 M447 H450	Y430-Y441 PolarHBondContact N-O 3.43Å; Y430-Y441 PolarHBondContact O-N 3.16Å; A439-Y441 HydrophobicContact CB-CE2 3.73Å; Y441-G443 PolarHBondContact O-N 3.25Å; Y441-M447 HydrophobicContact CD2-CB 3.87Å; Y441-M447 HydrophobicContact CD2-CG 4.37Å; Y441-M447 HydrophobicContact CG-CB 4.21Å; Y441-H450 HydrophobicContact CD2-CB 4.49Å; Y441-H450 HydrophobicContact CE1-CB 4.26Å; Y441-H450 HydrophobicContact CE2-CB 3.57Å; Y441-H450 AromaticContact CE2-CD2 3.74Å; Y441-H450 AromaticContact CE2-CG 3.56Å; Y441-H450 VanDerWaalsContact CZ-CB 3.45Å; Y441-H450 AromaticContact CZ-CG 3.66Å; Y441-H450 WeakPolarHBondContact OH-CB 3.11Å; Y441-H450 VanDerWaalsContact OH-CG 3.23Å; Y441-H450 PolarHBondContact OH-ND1 3.05Å
442	R	87.9	Confident	83.4	Confident	143 Å²	143	71.3 Å²	71.3	54%	0.54	39%	0.387	S	S	.	.	S	Bend	trans	-71.2	21.5	172.4	-65.5	173.4	168.6	-97.4	12.4	113.9	E365 N428	E365-R442 IonicContact OE1-CZ 3.99Å; E365-R442 IonicContact OE1-NE 2.73Å; E365-R442 PolarHBondContact OE1-NE 3.48Å; E365-R442 IonicContact OE1-NH2 2.87Å; E365-R442 PolarHBondContact OE1-NH2 3.49Å; E365-R442 IonicContact OE2-CZ 3.86Å; E365-R442 IonicContact OE2-NH2 3.21Å; E365-R442 PolarHBondContact OE2-NH2 3.41Å; N428-R442 CarbonylContact O-C 3.26Å
443	G	88.6	Confident	82.9	Confident	25 Å²	25	73 Å²	73	26%	0.258	39%	0.393	S	S	.	.	S	Bend	trans	179.1	143	-177.9	0	0	0	0	0	114.5	Y430 Y441 D445 G446 M447	Y430-G443 VanDerWaalsContact CD2-CA 3.45Å; Y441-G443 PolarHBondContact O-N 3.25Å; G443-D445 VanDerWaalsContact C-N 3.34Å; G443-D445 PolarHBondContact O-N 3.02Å; G443-G446 PolarHBondContact O-N 3.16Å; G443-G446 VanDerWaalsContact O-N 3.08Å; G443-M447 PolarHBondContact O-N 2.84Å
444	A	86.4	Confident	82.3	Confident	38 Å²	38	71.4 Å²	71.4	31%	0.314	38%	0.378	S	S	.	.	H	α-helix	trans	-57.9	-39.8	-173.7	0	0	0	0	0	113.6	Y430 G446 M447 K448	Y430-A444 HydrophobicContact CD1-CB 4.07Å; Y430-A444 VanDerWaalsContact CD2-N 3.32Å; Y430-A444 HydrophobicContact CE1-CB 3.67Å; Y430-A444 HydrophobicContact CE2-CB 4.21Å; Y430-A444 VanDerWaalsContact CE2-N 3.29Å; Y430-A444 HydrophobicContact CG-CB 4.49Å; A444-G446 VanDerWaalsContact C-N 3.28Å; A444-G446 PolarHBondContact O-N 3.18Å; A444-M447 PolarHBondContact O-N 3.43Å; A444-K448 WeakPolarHBondContact O-CB 3.4Å; A444-K448 PolarHBondContact O-N 3.05Å
445	D	86.4	Confident	82.2	Confident	136 Å²	136	68.7 Å²	68.7	73%	0.727	37%	0.369	S	S	*	.	H	α-helix	trans	-65.4	-32	179	-58.7	-61.4	0	0	0	112.6	G443 K449	G443-D445 VanDerWaalsContact C-N 3.34Å; G443-D445 PolarHBondContact O-N 3.02Å; D445-K449 WeakPolarHBondContact O-CB 3.47Å; D445-K449 PolarHBondContact O-N 3.15Å
446	G	85.7	Confident	82.2	Confident	30 Å²	30	65.4 Å²	65.4	31%	0.309	35%	0.353	S	S	.	.	H	α-helix	trans	-65.9	-50.7	174.3	0	0	0	0	0	111.2	G443 A444 K449 H450	G443-G446 PolarHBondContact O-N 3.16Å; G443-G446 VanDerWaalsContact O-N 3.08Å; A444-G446 VanDerWaalsContact C-N 3.28Å; A444-G446 PolarHBondContact O-N 3.18Å; G446-K449 PolarHBondContact O-N 3.32Å; G446-H450 WeakPolarHBondContact O-CB 3.25Å; G446-H450 PolarHBondContact O-N 3.11Å
447	M	87.4	Confident	81.8	Confident	35 Å²	35	64.5 Å²	64.5	17%	0.172	33%	0.327	C	S	.	.	H	α-helix	trans	-60.5	-48.6	175.5	-177.7	-163.2	65	0	0	111.5	Y430 P433 Y441 G443 A444 K449 H450 I451	Y430-M447 HydrophobicContact CD1-CE 4.26Å; Y430-M447 HydrophobicContact CD1-SD 4.46Å; P433-M447 HydrophobicContact CG-SD 4.41Å; Y441-M447 HydrophobicContact CD2-CB 3.87Å; Y441-M447 HydrophobicContact CD2-CG 4.37Å; Y441-M447 HydrophobicContact CG-CB 4.21Å; G443-M447 PolarHBondContact O-N 2.84Å; A444-M447 PolarHBondContact O-N 3.43Å; M447-K449 VanDerWaalsContact C-N 3.31Å; M447-K449 PolarHBondContact O-N 2.92Å; M447-H450 WeakPolarHBondContact O-CB 3.44Å; M447-H450 PolarHBondContact O-N 3.37Å; M447-H450 VanDerWaalsContact O-N 3.13Å; M447-I451 HydrophobicContact CE-CD1 4.12Å; M447-I451 HydrophobicContact CG-CD1 3.82Å; M447-I451 HydrophobicContact CG-CG1 4.38Å; M447-I451 WeakPolarHBondContact O-CG1 3.17Å; M447-I451 PolarHBondContact O-N 3.38Å; M447-I451 HydrophobicContact SD-CD1 4.2Å
448	K	85.8	Confident	81	Confident	149 Å²	149	68.3 Å²	68.3	65%	0.648	35%	0.345	S	S	*	.	H	α-helix	trans	-62.5	-38.4	-179.6	-173	171.6	-175.8	172.6	0	112.1	A444 K452	A444-K448 WeakPolarHBondContact O-CB 3.4Å; A444-K448 PolarHBondContact O-N 3.05Å; K448-K452 PolarHBondContact O-N 3Å
449	K	83.8	Confident	80.2	Confident	113 Å²	113	73.6 Å²	73.6	49%	0.491	36%	0.355	S	S	.	.	H	α-helix	trans	-67.1	-39.5	173.5	-178.1	173.7	-180	175.7	0	112.3	D445 G446 M447 K452 E453	D445-K449 WeakPolarHBondContact O-CB 3.47Å; D445-K449 PolarHBondContact O-N 3.15Å; G446-K449 PolarHBondContact O-N 3.32Å; M447-K449 VanDerWaalsContact C-N 3.31Å; M447-K449 PolarHBondContact O-N 2.92Å; K449-K452 PolarHBondContact O-N 3.19Å; K449-E453 WeakPolarHBondContact CE-OE1 3.49Å; K449-E453 HydrophobicContact CG-CG 4.39Å; K449-E453 IonicContact NZ-OE1 2.87Å; K449-E453 WeakPolarHBondContact O-CB 3.38Å; K449-E453 WeakPolarHBondContact O-CG 3.19Å; K449-E453 PolarHBondContact O-N 3.22Å
450	H	83.4	Confident	79.7	Confident	22 Å²	22	80 Å²	80	10%	0.102	38%	0.383	C	S	.	.	H	α-helix	trans	-64.6	-48.6	173.7	159.4	78	0	0	0	111.7	C432 C437 Y441 G446 M447 K452 E453 H454 H455	C432-H450 VanDerWaalsContact SG-CD2 3.51Å; C432-H450 PolarHBondContact SG-NE2 3.41Å; C437-H450 VanDerWaalsContact SG-CE1 3.51Å; C437-H450 PolarHBondContact SG-NE2 2.75Å; C437-H450 VanDerWaalsContact SG-NE2 3.38Å; Y441-H450 HydrophobicContact CD2-CB 4.49Å; Y441-H450 HydrophobicContact CE1-CB 4.26Å; Y441-H450 HydrophobicContact CE2-CB 3.57Å; Y441-H450 AromaticContact CE2-CD2 3.74Å; Y441-H450 AromaticContact CE2-CG 3.56Å; Y441-H450 VanDerWaalsContact CZ-CB 3.45Å; Y441-H450 AromaticContact CZ-CG 3.66Å; Y441-H450 WeakPolarHBondContact OH-CB 3.11Å; Y441-H450 VanDerWaalsContact OH-CG 3.23Å; Y441-H450 PolarHBondContact OH-ND1 3.05Å; G446-H450 WeakPolarHBondContact O-CB 3.25Å; G446-H450 PolarHBondContact O-N 3.11Å; M447-H450 WeakPolarHBondContact O-CB 3.44Å; M447-H450 PolarHBondContact O-N 3.37Å; M447-H450 VanDerWaalsContact O-N 3.13Å; H450-K452 VanDerWaalsContact C-N 3.25Å; H450-K452 PolarHBondContact O-N 2.82Å; H450-E453 PolarHBondContact O-N 3.43Å; H450-H454 AromaticContact CE1-CG 3.73Å; H450-H454 AromaticContact CE1-ND1 3.87Å; H450-H454 WeakPolarHBondContact O-CA 3.24Å; H450-H454 WeakPolarHBondContact O-CB 3.25Å; H450-H454 PolarHBondContact O-N 2.91Å; H450-H455 AromaticContact CE1-CE1 3.77Å; H450-H455 AromaticContact NE2-CE1 3.27Å; H450-H455 PolarHBondContact NE2-CE1 3.07Å; H450-H455 VanDerWaalsContact NE2-CE1 3.27Å; H450-H455 AromaticContact NE2-ND1 3.62Å
451	I	82.4	Confident	79.2	Confident	19 Å²	19	80 Å²	80	10%	0.097	38%	0.379	C	S	.	.	H	α-helix	trans	-51.6	-47.6	174.1	-72.4	165.7	0	0	0	110.2	P433 Y434 M447 H455 E456	P433-I451 HydrophobicContact CG-CD1 4.07Å; Y434-I451 HydrophobicContact CD2-CG1 4.23Å; Y434-I451 HydrophobicContact CE2-CB 4.3Å; Y434-I451 HydrophobicContact CE2-CD1 4.5Å; Y434-I451 HydrophobicContact CE2-CG1 3.96Å; Y434-I451 HydrophobicContact CE2-CG2 3.64Å; M447-I451 HydrophobicContact CE-CD1 4.12Å; M447-I451 HydrophobicContact CG-CD1 3.82Å; M447-I451 HydrophobicContact CG-CG1 4.38Å; M447-I451 WeakPolarHBondContact O-CG1 3.17Å; M447-I451 PolarHBondContact O-N 3.38Å; M447-I451 HydrophobicContact SD-CD1 4.2Å; I451-H455 CarbonylContact O-C 3.53Å; I451-H455 WeakPolarHBondContact O-CA 3.26Å; I451-H455 WeakPolarHBondContact O-CB 3.46Å; I451-H455 PolarHBondContact O-N 3.01Å; I451-E456 HydrophobicContact CG2-CG 3.88Å; I451-E456 PolarHBondContact O-N 2.79Å
452	K	81.2	Confident	78.9	Confident	112 Å²	112	80.6 Å²	80.6	49%	0.487	39%	0.391	S	S	.	.	I	π-helix	trans	-64.8	-52.6	177.1	-171.4	172.3	-177.6	-178.7	0	112.9	K448 K449 H450 H454 E456 E457	K448-K452 PolarHBondContact O-N 3Å; K449-K452 PolarHBondContact O-N 3.19Å; H450-K452 VanDerWaalsContact C-N 3.25Å; H450-K452 PolarHBondContact O-N 2.82Å; K452-H454 VanDerWaalsContact C-N 3.28Å; K452-H454 PolarHBondContact O-N 3.27Å; K452-E456 WeakPolarHBondContact CA-OE2 3.18Å; K452-E456 WeakPolarHBondContact CB-OE2 3.32Å; K452-E456 WeakPolarHBondContact CG-OE2 3.43Å; K452-E457 WeakPolarHBondContact O-CB 3.47Å; K452-E457 PolarHBondContact O-N 3.11Å; K452-E457 VanDerWaalsContact O-N 3.1Å
453	E	74.9	Confident	78.8	Confident	52 Å²	52	74.3 Å²	74.3	24%	0.243	37%	0.369	C	S	.	.	I	π-helix	trans	-68.8	-21.2	-176.7	-72.3	-178.8	-169.8	0	0	113.7	K449 H450 I474 R476	K449-E453 WeakPolarHBondContact CE-OE1 3.49Å; K449-E453 HydrophobicContact CG-CG 4.39Å; K449-E453 IonicContact NZ-OE1 2.87Å; K449-E453 WeakPolarHBondContact O-CB 3.38Å; K449-E453 WeakPolarHBondContact O-CG 3.19Å; K449-E453 PolarHBondContact O-N 3.22Å; H450-E453 PolarHBondContact O-N 3.43Å; E453-I474 WeakPolarHBondContact O-CG1 3.31Å; E453-R476 VanDerWaalsContact CD-NH2 3.26Å; E453-R476 IonicContact OE1-CZ 3.79Å; E453-R476 IonicContact OE1-NH1 2.72Å; E453-R476 IonicContact OE1-NH2 3.26Å; E453-R476 PolarHBondContact OE1-NH2 3.37Å; E453-R476 IonicContact OE2-CZ 2.72Å; E453-R476 VanDerWaalsContact OE2-CZ 3.29Å; E453-R476 IonicContact OE2-NH1 2.66Å; E453-R476 PolarHBondContact OE2-NH1 3.03Å; E453-R476 IonicContact OE2-NH2 3.65Å; E453-R476 PolarHBondContact OE2-NH2 2.86Å
454	H	72.2	Confident	78.5	Confident	54 Å²	54	77.9 Å²	77.9	25%	0.25	39%	0.388	C	S	.	.	I	π-helix	trans	-120.9	-22	-170	-161.2	-96	0	0	0	115.4	H450 K452 I458	H450-H454 AromaticContact CE1-CG 3.73Å; H450-H454 AromaticContact CE1-ND1 3.87Å; H450-H454 WeakPolarHBondContact O-CA 3.24Å; H450-H454 WeakPolarHBondContact O-CB 3.25Å; H450-H454 PolarHBondContact O-N 2.91Å; K452-H454 VanDerWaalsContact C-N 3.28Å; K452-H454 PolarHBondContact O-N 3.27Å; H454-I458 WeakPolarHBondContact O-CD1 3.49Å; H454-I458 WeakPolarHBondContact O-CG1 3.31Å
455	H	75.5	Confident	78.4	Confident	36 Å²	36	78.9 Å²	78.9	17%	0.167	39%	0.386	C	S	.	.	I	π-helix	trans	-128.9	-43.3	-172.7	-61.4	119.8	0	0	0	114.2	C432 Y434 H450 I451	C432-H455 PolarHBondContact SG-CE1 3.19Å; Y434-H455 HydrophobicContact CD1-CB 3.72Å; Y434-H455 AromaticContact CD1-CG 3.76Å; Y434-H455 HydrophobicContact CD2-CB 3.92Å; Y434-H455 AromaticContact CD2-CG 3.74Å; Y434-H455 AromaticContact CD2-ND1 3.55Å; Y434-H455 HydrophobicContact CE1-CB 3.58Å; Y434-H455 HydrophobicContact CE2-CB 3.8Å; Y434-H455 HydrophobicContact CG-CB 3.88Å; Y434-H455 AromaticContact CG-CD2 3.89Å; Y434-H455 AromaticContact CG-CG 3.53Å; Y434-H455 AromaticContact CG-ND1 3.65Å; H450-H455 AromaticContact CE1-CE1 3.77Å; H450-H455 AromaticContact NE2-CE1 3.27Å; H450-H455 PolarHBondContact NE2-CE1 3.07Å; H450-H455 VanDerWaalsContact NE2-CE1 3.27Å; H450-H455 AromaticContact NE2-ND1 3.62Å; I451-H455 CarbonylContact O-C 3.53Å; I451-H455 WeakPolarHBondContact O-CA 3.26Å; I451-H455 WeakPolarHBondContact O-CB 3.46Å; I451-H455 PolarHBondContact O-N 3.01Å
456	E	70.1	Confident	78	Confident	127 Å²	127	78.7 Å²	78.7	59%	0.593	39%	0.392	S	S	*	.	I	π-helix	trans	-75.8	-33.6	174.3	-58.2	178	151	0	0	111.9	I451 K452	I451-E456 HydrophobicContact CG2-CG 3.88Å; I451-E456 PolarHBondContact O-N 2.79Å; K452-E456 WeakPolarHBondContact CA-OE2 3.18Å; K452-E456 WeakPolarHBondContact CB-OE2 3.32Å; K452-E456 WeakPolarHBondContact CG-OE2 3.43Å
457	E	62.8	Low	77.8	Confident	62 Å²	62	81.1 Å²	81.1	29%	0.29	42%	0.417	S	S	.	.			trans	-112.4	35	-172.4	-145.9	179.4	146.3	0	0	113.3	K452 R459 R461	K452-E457 WeakPolarHBondContact O-CB 3.47Å; K452-E457 PolarHBondContact O-N 3.11Å; K452-E457 VanDerWaalsContact O-N 3.1Å; E457-R459 PolarHBondContact O-N 3.39Å; E457-R461 PolarHBondContact O-NH1 2.89Å; E457-R461 IonicContact OE1-CZ 3.98Å; E457-R461 IonicContact OE1-NH2 2.96Å; E457-R461 PolarHBondContact OE1-NH2 3Å
458	I	62.8	Low	77.7	Confident	99 Å²	99	80.4 Å²	80.4	51%	0.508	42%	0.415	S	S	.	.			trans	-66.1	77.9	167.1	-52.3	173.9	0	0	0	109	H454	H454-I458 WeakPolarHBondContact O-CD1 3.49Å; H454-I458 WeakPolarHBondContact O-CG1 3.31Å
459	R	66.3	Low	77.6	Confident	178 Å²	178	81 Å²	81	67%	0.672	43%	0.425	S	S	*	.			trans	-110.7	119.3	164.8	-61.3	-179	178	-166.7	-2.7	106.6	E457 R461	E457-R459 PolarHBondContact O-N 3.39Å; R459-R461 WeakPolarHBondContact O-CD 3.45Å; R459-R461 WeakPolarHBondContact O-CG 3.49Å; R459-R461 PolarHBondContact O-N 2.87Å; R459-R461 PolarHBondContact O-NH1 2.87Å
460	E	73.1	Confident	77.7	Confident	149 Å²	149	79.8 Å²	79.8	70%	0.696	42%	0.42	S	S	*	.			trans	-57	122.5	168.6	-73.2	-168.9	-177.8	0	0	109.3	P462 V471	E460-P462 WeakPolarHBondContact O-CD 3.17Å; E460-V471 HydrophobicContact CB-CG1 3.65Å; E460-V471 HydrophobicContact CG-CG1 3.93Å
461	R	77.5	Confident	77.7	Confident	32 Å²	32	82.1 Å²	82.1	12%	0.121	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	92	176.5	-62.3	135.7	154.8	111.8	-0.4	108.6	E457 R459 F472 M473 D475 L478	E457-R461 PolarHBondContact O-NH1 2.89Å; E457-R461 IonicContact OE1-CZ 3.98Å; E457-R461 IonicContact OE1-NH2 2.96Å; E457-R461 PolarHBondContact OE1-NH2 3Å; R459-R461 WeakPolarHBondContact O-CD 3.45Å; R459-R461 WeakPolarHBondContact O-CG 3.49Å; R459-R461 PolarHBondContact O-N 2.87Å; R459-R461 PolarHBondContact O-NH1 2.87Å; R461-F472 WeakPolarHBondContact CB-O 3.41Å; R461-F472 PolarHBondContact N-O 2.93Å; R461-F472 PolarHBondContact O-N 3.15Å; R461-M473 PolarHBondContact NH1-O 3.22Å; R461-D475 WeakPolarHBondContact CD-OD1 3.3Å; R461-D475 IonicContact CZ-OD1 3.04Å; R461-D475 IonicContact CZ-OD2 2.98Å; R461-D475 VanDerWaalsContact CZ-OD2 3.26Å; R461-D475 IonicContact NE-OD1 2.65Å; R461-D475 PolarHBondContact NE-OD1 2.73Å; R461-D475 IonicContact NE-OD2 2.7Å; R461-D475 PolarHBondContact NE-OD2 3.35Å; R461-D475 IonicContact NH2-OD2 3.82Å; R461-D475 PolarHBondContact NH2-OD2 3.09Å; R461-L478 HydrophobicContact CB-CD2 3.75Å
462	P	82.3	Confident	77.7	Confident	81 Å²	81	83 Å²	83	53%	0.526	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	151.1	169.3	-23.9	34.1	0	0	0	111.7	E460 V471	E460-P462 WeakPolarHBondContact O-CD 3.17Å; P462-V471 HydrophobicContact CB-CG2 4.4Å; P462-V471 HydrophobicContact CG-CG2 4.29Å
463	C	85.8	Confident	77.6	Confident	11 Å²	11	82.2 Å²	82.2	7%	0.074	44%	0.438	C	S	.	.			trans	-66.4	127.8	170	-169.3	0	0	0	0	109.9	H465 C468 K470 L478 H481	C463-H465 PolarHBondContact O-N 3.27Å; C463-H465 PolarHBondContact SG-ND1 2.92Å; C463-H465 VanDerWaalsContact SG-ND1 3.43Å; C463-C468 HydrophobicContact CB-CB 3.93Å; C463-K470 WeakPolarHBondContact CB-O 3.47Å; C463-K470 PolarHBondContact N-O 2.87Å; C463-L478 HydrophobicContact CB-CD1 4.14Å; C463-H481 VanDerWaalsContact SG-CD2 3.6Å; C463-H481 PolarHBondContact SG-NE2 2.92Å; C463-H481 VanDerWaalsContact SG-NE2 3.38Å
464	P	83.2	Confident	77.9	Confident	101 Å²	101	80.8 Å²	80.8	66%	0.656	43%	0.432	S	S	*	.	S	Bend	trans	-76.4	14.3	-178.2	32.5	-37.2	0	0	0	113.5
465	H	83.5	Confident	78.3	Confident	59 Å²	59	81.5 Å²	81.5	27%	0.273	44%	0.438	S	S	.	.	S	Bend	trans	-100	128	-177.5	-68.2	72	0	0	0	110.1	C463 G467 C468 V482 H486	C463-H465 PolarHBondContact O-N 3.27Å; C463-H465 PolarHBondContact SG-ND1 2.92Å; C463-H465 VanDerWaalsContact SG-ND1 3.43Å; H465-G467 PolarHBondContact O-N 3.33Å; H465-C468 HydrophobicContact CB-CB 4.24Å; H465-C468 WeakPolarHBondContact O-CB 3.38Å; H465-C468 PolarHBondContact O-N 2.86Å; H465-V482 VanDerWaalsContact CE1-CG1 3.47Å; H465-V482 WeakPolarHBondContact CE1-CG1 3.42Å; H465-H486 WeakPolarHBondContact CD2-CB 3.47Å; H465-H486 AromaticContact CD2-CG 3.57Å; H465-H486 AromaticContact CG-CD2 3.66Å; H465-H486 AromaticContact CG-CG 3.47Å; H465-H486 VanDerWaalsContact CG-CG 3.47Å; H465-H486 AromaticContact CG-ND1 3.92Å; H465-H486 AromaticContact ND1-CD2 3.8Å; H465-H486 AromaticContact ND1-CG 3.94Å
466	P	79.4	Confident	78.6	Confident	132 Å²	132	85.1 Å²	85.1	86%	0.857	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	133.5	179.1	24.4	-33.4	0	0	0	110.5
467	G	79.8	Confident	79.3	Confident	81 Å²	81	84 Å²	84	84%	0.835	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	-1.2	-175.1	0	0	0	0	0	115.7	H465	H465-G467 PolarHBondContact O-N 3.33Å
468	C	86.5	Confident	80.3	Confident	20 Å²	20	81.7 Å²	81.7	14%	0.135	43%	0.431	C	S	.	.			trans	-104.7	90.5	177.4	-163.2	0	0	0	0	113.7	C463 H465 K470 H481 H486	C463-C468 HydrophobicContact CB-CB 3.93Å; H465-C468 HydrophobicContact CB-CB 4.24Å; H465-C468 WeakPolarHBondContact O-CB 3.38Å; H465-C468 PolarHBondContact O-N 2.86Å; C468-K470 PolarHBondContact O-N 3.19Å; C468-H481 PolarHBondContact SG-NE2 3.46Å; C468-H486 WeakPolarHBondContact CB-NE2 3.3Å; C468-H486 PolarHBondContact SG-NE2 2.94Å
469	N	83.6	Confident	81.4	Confident	160 Å²	160	82.8 Å²	82.8	86%	0.856	43%	0.433	S	S	*	.			trans	-78.1	29.6	-179.5	-58.1	-9.2	0	0	0	113.8
470	K	84.9	Confident	82.3	Confident	89 Å²	89	80.7 Å²	80.7	39%	0.387	43%	0.425	S	S	.	.			trans	-91.4	118.7	177.5	-75.9	-173.1	174.6	-69.2	0	110.8	N357 C463 C468 F472	N357-K470 PolarHBondContact OD1-NZ 3.08Å; C463-K470 WeakPolarHBondContact CB-O 3.47Å; C463-K470 PolarHBondContact N-O 2.87Å; C468-K470 PolarHBondContact O-N 3.19Å; K470-F472 HydrophobicContact CB-CE2 3.7Å; K470-F472 HydrophobicContact CB-CZ 3.85Å; K470-F472 HydrophobicContact CD-CZ 4.25Å
471	V	83.1	Confident	82.9	Confident	71 Å²	71	74.5 Å²	74.5	43%	0.43	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	143	173.2	-176.9	0	0	0	0	109.8	E460 P462	E460-V471 HydrophobicContact CB-CG1 3.65Å; E460-V471 HydrophobicContact CG-CG1 3.93Å; P462-V471 HydrophobicContact CB-CG2 4.4Å; P462-V471 HydrophobicContact CG-CG2 4.29Å
472	F	83.6	Confident	83.2	Confident	36 Å²	36	73.9 Å²	73.9	16%	0.158	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	141.3	176	-56.8	-92.5	0	0	0	110	R461 K470 L478 H481	R461-F472 WeakPolarHBondContact CB-O 3.41Å; R461-F472 PolarHBondContact N-O 2.93Å; R461-F472 PolarHBondContact O-N 3.15Å; K470-F472 HydrophobicContact CB-CE2 3.7Å; K470-F472 HydrophobicContact CB-CZ 3.85Å; K470-F472 HydrophobicContact CD-CZ 4.25Å; F472-L478 HydrophobicContact CB-CB 4.04Å; F472-L478 HydrophobicContact CD2-CB 3.86Å; F472-L478 HydrophobicContact CD2-CD1 3.8Å; F472-L478 HydrophobicContact CD2-CG 4.4Å; F472-L478 HydrophobicContact CE2-CD1 4.06Å; F472-L478 HydrophobicContact CG-CB 4.06Å; F472-H481 HydrophobicContact CE1-CB 3.94Å; F472-H481 HydrophobicContact CE2-CB 3.93Å; F472-H481 AromaticContact CE2-CD2 3.33Å; F472-H481 WeakPolarHBondContact CE2-CD2 3.43Å; F472-H481 AromaticContact CE2-CG 3.69Å; F472-H481 HydrophobicContact CZ-CB 3.4Å; F472-H481 VanDerWaalsContact CZ-CB 3.4Å; F472-H481 AromaticContact CZ-CD2 3.45Å; F472-H481 VanDerWaalsContact CZ-CD2 3.45Å; F472-H481 WeakPolarHBondContact CZ-CD2 3.19Å; F472-H481 AromaticContact CZ-CG 3.3Å; F472-H481 AromaticContact CZ-ND1 4Å
473	M	78.5	Confident	83.3	Confident	96 Å²	96	74.8 Å²	74.8	47%	0.473	39%	0.392	S	S	.	.	S	Bend	trans	-78.6	-30.5	174.4	-59.9	-177.3	-71.1	0	0	112	R461	R461-M473 PolarHBondContact NH1-O 3.22Å
474	I	80.9	Confident	83.1	Confident	23 Å²	23	75.7 Å²	75.7	12%	0.118	40%	0.396	C	S	.	.	S	Bend	trans	-114.1	125	-173.8	-67.8	157.7	0	0	0	111	E453 R476 Y477 L478	E453-I474 WeakPolarHBondContact O-CG1 3.31Å; I474-R476 VanDerWaalsContact C-N 3.26Å; I474-R476 HydrophobicContact CG2-CB 3.89Å; I474-R476 PolarHBondContact O-N 2.95Å; I474-Y477 HydrophobicContact CB-CD2 3.85Å; I474-Y477 HydrophobicContact CB-CE2 4.32Å; I474-Y477 HydrophobicContact CB-CG 4.45Å; I474-Y477 HydrophobicContact CD1-CD2 4.06Å; I474-Y477 HydrophobicContact CD1-CE2 3.71Å; I474-Y477 HydrophobicContact CG2-CD2 4.21Å; I474-Y477 HydrophobicContact CG2-CG 4.49Å; I474-Y477 PolarHBondContact O-N 2.76Å; I474-L478 PolarHBondContact O-N 2.85Å
475	D	80.5	Confident	83	Confident	68 Å²	68	76 Å²	76	36%	0.364	39%	0.391	S	S	.	.	H	α-helix	trans	-53.7	-38.4	178.7	-85.2	-42.4	0	0	0	113.7	R461 Y477 L478 Q479	R461-D475 WeakPolarHBondContact CD-OD1 3.3Å; R461-D475 IonicContact CZ-OD1 3.04Å; R461-D475 IonicContact CZ-OD2 2.98Å; R461-D475 VanDerWaalsContact CZ-OD2 3.26Å; R461-D475 IonicContact NE-OD1 2.65Å; R461-D475 PolarHBondContact NE-OD1 2.73Å; R461-D475 IonicContact NE-OD2 2.7Å; R461-D475 PolarHBondContact NE-OD2 3.35Å; R461-D475 IonicContact NH2-OD2 3.82Å; R461-D475 PolarHBondContact NH2-OD2 3.09Å; D475-Y477 PolarHBondContact O-N 2.87Å; D475-Y477 VanDerWaalsContact O-N 3.16Å; D475-L478 PolarHBondContact O-N 3.18Å; D475-Q479 WeakPolarHBondContact O-CB 3.49Å; D475-Q479 VanDerWaalsContact O-CG 3.29Å; D475-Q479 WeakPolarHBondContact O-CG 3.42Å; D475-Q479 PolarHBondContact O-N 3.23Å
476	R	82.6	Confident	82.9	Confident	112 Å²	112	76.4 Å²	76.4	42%	0.423	39%	0.393	S	S	.	.	H	α-helix	trans	-59.1	-28.1	178	-167	-174.5	-61.8	119.6	12.8	112.4	E453 I474 R480	E453-R476 VanDerWaalsContact CD-NH2 3.26Å; E453-R476 IonicContact OE1-CZ 3.79Å; E453-R476 IonicContact OE1-NH1 2.72Å; E453-R476 IonicContact OE1-NH2 3.26Å; E453-R476 PolarHBondContact OE1-NH2 3.37Å; E453-R476 IonicContact OE2-CZ 2.72Å; E453-R476 VanDerWaalsContact OE2-CZ 3.29Å; E453-R476 IonicContact OE2-NH1 2.66Å; E453-R476 PolarHBondContact OE2-NH1 3.03Å; E453-R476 IonicContact OE2-NH2 3.65Å; E453-R476 PolarHBondContact OE2-NH2 2.86Å; I474-R476 VanDerWaalsContact C-N 3.26Å; I474-R476 HydrophobicContact CG2-CB 3.89Å; I474-R476 PolarHBondContact O-N 2.95Å; R476-R480 WeakPolarHBondContact O-CB 3.31Å; R476-R480 PolarHBondContact O-N 2.85Å
477	Y	83.7	Confident	82.6	Confident	104 Å²	104	72 Å²	72	41%	0.408	36%	0.364	S	S	.	.	H	α-helix	trans	-86.1	-39.4	176.5	-61.5	-32.5	0	0	0	112.1	I474 D475 R480 H481	I474-Y477 HydrophobicContact CB-CD2 3.85Å; I474-Y477 HydrophobicContact CB-CE2 4.32Å; I474-Y477 HydrophobicContact CB-CG 4.45Å; I474-Y477 HydrophobicContact CD1-CD2 4.06Å; I474-Y477 HydrophobicContact CD1-CE2 3.71Å; I474-Y477 HydrophobicContact CG2-CD2 4.21Å; I474-Y477 HydrophobicContact CG2-CG 4.49Å; I474-Y477 PolarHBondContact O-N 2.76Å; D475-Y477 PolarHBondContact O-N 2.87Å; D475-Y477 VanDerWaalsContact O-N 3.16Å; Y477-R480 PolarHBondContact O-N 3.09Å; Y477-H481 VanDerWaalsContact O-CB 3.32Å; Y477-H481 WeakPolarHBondContact O-CB 3.22Å; Y477-H481 PolarHBondContact O-N 3.01Å
478	L	85.8	Confident	82.2	Confident	14 Å²	14	75 Å²	75	7%	0.073	36%	0.356	C	S	.	.	H	α-helix	trans	-58.9	-52.6	170.6	171.3	56.2	0	0	0	111.5	R461 C463 F472 I474 D475 R480 H481 V482	R461-L478 HydrophobicContact CB-CD2 3.75Å; C463-L478 HydrophobicContact CB-CD1 4.14Å; F472-L478 HydrophobicContact CB-CB 4.04Å; F472-L478 HydrophobicContact CD2-CB 3.86Å; F472-L478 HydrophobicContact CD2-CD1 3.8Å; F472-L478 HydrophobicContact CD2-CG 4.4Å; F472-L478 HydrophobicContact CE2-CD1 4.06Å; F472-L478 HydrophobicContact CG-CB 4.06Å; I474-L478 PolarHBondContact O-N 2.85Å; D475-L478 PolarHBondContact O-N 3.18Å; L478-R480 VanDerWaalsContact C-N 3.26Å; L478-R480 PolarHBondContact O-N 2.76Å; L478-H481 WeakPolarHBondContact O-CB 3.36Å; L478-H481 PolarHBondContact O-N 3.48Å; L478-V482 HydrophobicContact CD1-CG2 3.81Å; L478-V482 HydrophobicContact CG-CG2 4.47Å; L478-V482 WeakPolarHBondContact O-CG2 3.48Å; L478-V482 PolarHBondContact O-N 2.06Å
479	Q	84.8	Confident	81.5	Confident	121 Å²	121	78 Å²	78	57%	0.565	37%	0.373	S	S	*	.	H	α-helix	trans	-60.5	-36.4	179.7	-68.7	-66	-19.3	0	0	112.1	D475 K483	D475-Q479 WeakPolarHBondContact O-CB 3.49Å; D475-Q479 VanDerWaalsContact O-CG 3.29Å; D475-Q479 WeakPolarHBondContact O-CG 3.42Å; D475-Q479 PolarHBondContact O-N 3.23Å; Q479-K483 VanDerWaalsContact O-CB 3.23Å; Q479-K483 WeakPolarHBondContact O-CB 3.38Å; Q479-K483 PolarHBondContact O-N 3.49Å
480	R	84.4	Confident	81	Confident	134 Å²	134	76.2 Å²	76.2	51%	0.506	36%	0.355	S	S	.	.	H	α-helix	trans	-66.1	-46.4	172	-178.3	-170.3	-62.3	174.2	-1.3	111.3	R476 Y477 L478 K483 L484	R476-R480 WeakPolarHBondContact O-CB 3.31Å; R476-R480 PolarHBondContact O-N 2.85Å; Y477-R480 PolarHBondContact O-N 3.09Å; L478-R480 VanDerWaalsContact C-N 3.26Å; L478-R480 PolarHBondContact O-N 2.76Å; R480-K483 PolarHBondContact O-N 2.81Å; R480-L484 HydrophobicContact CG-CD1 3.71Å; R480-L484 HydrophobicContact CG-CG 4.29Å; R480-L484 VanDerWaalsContact O-CB 3.32Å; R480-L484 WeakPolarHBondContact O-CB 3.49Å; R480-L484 WeakPolarHBondContact O-CG 3.35Å; R480-L484 PolarHBondContact O-N 3.33Å
481	H	85.9	Confident	80.7	Confident	19 Å²	19	75.5 Å²	75.5	9%	0.088	36%	0.355	C	S	.	.	H	α-helix	trans	-60.7	-50.5	178.9	161.8	64.2	0	0	0	111.4	C463 C468 F472 Y477 L478 K483 L484 I485 H486	C463-H481 VanDerWaalsContact SG-CD2 3.6Å; C463-H481 PolarHBondContact SG-NE2 2.92Å; C463-H481 VanDerWaalsContact SG-NE2 3.38Å; C468-H481 PolarHBondContact SG-NE2 3.46Å; F472-H481 HydrophobicContact CE1-CB 3.94Å; F472-H481 HydrophobicContact CE2-CB 3.93Å; F472-H481 AromaticContact CE2-CD2 3.33Å; F472-H481 WeakPolarHBondContact CE2-CD2 3.43Å; F472-H481 AromaticContact CE2-CG 3.69Å; F472-H481 HydrophobicContact CZ-CB 3.4Å; F472-H481 VanDerWaalsContact CZ-CB 3.4Å; F472-H481 AromaticContact CZ-CD2 3.45Å; F472-H481 VanDerWaalsContact CZ-CD2 3.45Å; F472-H481 WeakPolarHBondContact CZ-CD2 3.19Å; F472-H481 AromaticContact CZ-CG 3.3Å; F472-H481 AromaticContact CZ-ND1 4Å; Y477-H481 VanDerWaalsContact O-CB 3.32Å; Y477-H481 WeakPolarHBondContact O-CB 3.22Å; Y477-H481 PolarHBondContact O-N 3.01Å; L478-H481 WeakPolarHBondContact O-CB 3.36Å; L478-H481 PolarHBondContact O-N 3.48Å; H481-K483 PolarHBondContact O-N 3.36Å; H481-L484 PolarHBondContact O-N 2.99Å; H481-I485 WeakPolarHBondContact ND1-CG1 3.34Å; H481-I485 WeakPolarHBondContact O-CB 3.11Å; H481-I485 WeakPolarHBondContact O-CG1 3.43Å; H481-I485 PolarHBondContact O-N 3.43Å; H481-H486 AromaticContact CE1-NE2 3.6Å; H481-H486 AromaticContact NE2-CD2 3.69Å; H481-H486 AromaticContact NE2-NE2 3.34Å; H481-H486 PolarHBondContact NE2-NE2 2.85Å
482	V	85.3	Confident	80.7	Confident	20 Å²	20	75.6 Å²	75.6	12%	0.121	35%	0.348	C	S	.	.	I	π-helix	trans	-52.5	-54.4	173.4	166.2	0	0	0	0	110.8	H465 L478 L484 H486 T487	H465-V482 VanDerWaalsContact CE1-CG1 3.47Å; H465-V482 WeakPolarHBondContact CE1-CG1 3.42Å; L478-V482 HydrophobicContact CD1-CG2 3.81Å; L478-V482 HydrophobicContact CG-CG2 4.47Å; L478-V482 WeakPolarHBondContact O-CG2 3.48Å; L478-V482 PolarHBondContact O-N 2.06Å; V482-L484 VanDerWaalsContact C-N 3.25Å; V482-L484 PolarHBondContact O-N 2.7Å; V482-H486 PolarHBondContact O-N 3.2Å; V482-T487 HydrophobicContact CG1-CG2 4.2Å; V482-T487 PolarHBondContact O-N 3Å
483	K	83.2	Confident	80.8	Confident	99 Å²	99	78.3 Å²	78.3	43%	0.43	36%	0.364	S	S	.	.	I	π-helix	trans	-64.3	-25.5	-177.5	-172.2	161.4	-176.8	164.6	0	113.8	Q479 R480 H481 T487 N491	Q479-K483 VanDerWaalsContact O-CB 3.23Å; Q479-K483 WeakPolarHBondContact O-CB 3.38Å; Q479-K483 PolarHBondContact O-N 3.49Å; R480-K483 PolarHBondContact O-N 2.81Å; H481-K483 PolarHBondContact O-N 3.36Å; K483-T487 WeakPolarHBondContact CA-OG1 3.3Å; K483-T487 PolarHBondContact O-OG1 3.39Å; K483-N491 WeakPolarHBondContact CE-ND2 3.32Å; K483-N491 PolarHBondContact NZ-OD1 2.88Å
484	L	81.4	Confident	81.4	Confident	31 Å²	31	73.8 Å²	73.8	16%	0.162	34%	0.341	C	S	.	.	I	π-helix	trans	-94.6	-38.5	-179.5	-68.2	-179.7	0	0	0	114.3	R480 H481 V482 K502 Q503	R480-L484 HydrophobicContact CG-CD1 3.71Å; R480-L484 HydrophobicContact CG-CG 4.29Å; R480-L484 VanDerWaalsContact O-CB 3.32Å; R480-L484 WeakPolarHBondContact O-CB 3.49Å; R480-L484 WeakPolarHBondContact O-CG 3.35Å; R480-L484 PolarHBondContact O-N 3.33Å; H481-L484 PolarHBondContact O-N 2.99Å; V482-L484 VanDerWaalsContact C-N 3.25Å; V482-L484 PolarHBondContact O-N 2.7Å; L484-K502 HydrophobicContact CD2-CB 3.76Å; L484-K502 WeakPolarHBondContact CD2-O 3.14Å; L484-K502 WeakPolarHBondContact O-CD 3.35Å; L484-K502 WeakPolarHBondContact O-CE 3.37Å; L484-K502 PolarHBondContact O-NZ 2.95Å; L484-Q503 HydrophobicContact CD1-CG 4.21Å; L484-Q503 HydrophobicContact CD2-CG 3.52Å
485	I	80.7	Confident	81.7	Confident	108 Å²	108	78.9 Å²	78.9	55%	0.554	37%	0.369	S	S	*	.	I	π-helix	trans	-95	-56.6	-173.3	-55.9	-52.3	0	0	0	109.9	H481	H481-I485 WeakPolarHBondContact ND1-CG1 3.34Å; H481-I485 WeakPolarHBondContact O-CB 3.11Å; H481-I485 WeakPolarHBondContact O-CG1 3.43Å; H481-I485 PolarHBondContact O-N 3.43Å
486	H	81.6	Confident	81.9	Confident	66 Å²	66	82.2 Å²	82.2	31%	0.306	38%	0.382	S	S	.	.	I	π-helix	trans	-86.4	-30	-171.8	-61.3	-65.2	0	0	0	114.3	H465 C468 H481 V482	H465-H486 WeakPolarHBondContact CD2-CB 3.47Å; H465-H486 AromaticContact CD2-CG 3.57Å; H465-H486 AromaticContact CG-CD2 3.66Å; H465-H486 AromaticContact CG-CG 3.47Å; H465-H486 VanDerWaalsContact CG-CG 3.47Å; H465-H486 AromaticContact CG-ND1 3.92Å; H465-H486 AromaticContact ND1-CD2 3.8Å; H465-H486 AromaticContact ND1-CG 3.94Å; C468-H486 WeakPolarHBondContact CB-NE2 3.3Å; C468-H486 PolarHBondContact SG-NE2 2.94Å; H481-H486 AromaticContact CE1-NE2 3.6Å; H481-H486 AromaticContact NE2-CD2 3.69Å; H481-H486 AromaticContact NE2-NE2 3.34Å; H481-H486 PolarHBondContact NE2-NE2 2.85Å; V482-H486 PolarHBondContact O-N 3.2Å
487	T	74.7	Confident	82.1	Confident	40 Å²	40	79.3 Å²	79.3	25%	0.245	38%	0.379	C	S	.	.			trans	-91.5	134.2	172.3	90.3	0	0	0	0	111.7	V482 K483 V489 K502	V482-T487 HydrophobicContact CG1-CG2 4.2Å; V482-T487 PolarHBondContact O-N 3Å; K483-T487 WeakPolarHBondContact CA-OG1 3.3Å; K483-T487 PolarHBondContact O-OG1 3.39Å; T487-V489 PolarHBondContact O-N 2.99Å; T487-K502 WeakPolarHBondContact O-CE 3.35Å; T487-K502 PolarHBondContact O-NZ 3.06Å
488	E	69.8	Low	82.1	Confident	144 Å²	144	76.2 Å²	76.2	67%	0.673	38%	0.378	S	S	*	.			trans	-76.3	-1.2	174.5	-66.5	-130.8	122.6	0	0	113.8	R490	E488-R490 PolarHBondContact O-N 2.99Å
489	V	73	Confident	82.2	Confident	83 Å²	83	80.4 Å²	80.4	50%	0.503	40%	0.397	S	S	.	.			trans	-68.4	94.7	-165.6	-164.6	0	0	0	0	111.3	T487 N491	T487-V489 PolarHBondContact O-N 2.99Å; V489-N491 VanDerWaalsContact C-N 3.27Å; V489-N491 WeakPolarHBondContact CB-ND2 3.33Å; V489-N491 WeakPolarHBondContact CG1-ND2 3.22Å; V489-N491 PolarHBondContact O-N 2.96Å; V489-N491 PolarHBondContact O-ND2 3.14Å
490	R	72.8	Confident	82.2	Confident	123 Å²	123	77.2 Å²	77.2	46%	0.464	39%	0.386	S	S	.	.			trans	-78.2	74.4	175.7	-66.1	177	179.6	97.1	-7.8	110.3	E488 Y492 T500 F501 K502	E488-R490 PolarHBondContact O-N 2.99Å; R490-Y492 PolarHBondContact O-N 2.95Å; R490-Y492 VanDerWaalsContact O-N 3.13Å; R490-T500 WeakPolarHBondContact CB-OG1 3.34Å; R490-T500 WeakPolarHBondContact CD-OG1 3.38Å; R490-F501 CarbonylContact C-O 3.59Å; R490-F501 VanDerWaalsContact C-O 3.26Å; R490-F501 WeakPolarHBondContact CA-O 3.42Å; R490-K502 HydrophobicContact CG-CG 3.95Å
491	N	78.3	Confident	82.3	Confident	73 Å²	73	72.3 Å²	72.3	39%	0.39	37%	0.369	S	S	.	.			trans	-62.2	-16.1	-171.9	-73.2	-115	0	0	0	115	K483 V489 F501	K483-N491 WeakPolarHBondContact CE-ND2 3.32Å; K483-N491 PolarHBondContact NZ-OD1 2.88Å; V489-N491 VanDerWaalsContact C-N 3.27Å; V489-N491 WeakPolarHBondContact CB-ND2 3.33Å; V489-N491 WeakPolarHBondContact CG1-ND2 3.22Å; V489-N491 PolarHBondContact O-N 2.96Å; V489-N491 PolarHBondContact O-ND2 3.14Å; N491-F501 PolarHBondContact N-O 2.6Å
492	Y	82.9	Confident	82.1	Confident	74 Å²	74	74.3 Å²	74.3	29%	0.29	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	105.9	-170.2	-60.1	-78.2	0	0	0	110.4	R490 T500 F501 R504	R490-Y492 PolarHBondContact O-N 2.95Å; R490-Y492 VanDerWaalsContact O-N 3.13Å; Y492-T500 CarbonylContact O-C 3.54Å; Y492-T500 WeakPolarHBondContact O-CA 3.32Å; Y492-F501 PolarHBondContact N-O 2.82Å; Y492-F501 VanDerWaalsContact N-O 3.1Å; Y492-F501 PolarHBondContact O-N 3.13Å; Y492-R504 HydrophobicContact CD1-CB 3.88Å; Y492-R504 HydrophobicContact CD1-CG 4.28Å; Y492-R504 HydrophobicContact CE1-CB 3.62Å; Y492-R504 HydrophobicContact CE1-CG 4.18Å; Y492-R504 HydrophobicContact CE2-CB 4.48Å; Y492-R504 HydrophobicContact CG-CB 4.41Å
493	I	85.5	Confident	82.1	Confident	93 Å²	93	75.9 Å²	75.9	48%	0.477	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	142.2	-177.8	-47.1	-170.9	0	0	0	109.4	T500 L507	I493-T500 HydrophobicContact CB-CG2 4.41Å; I493-T500 HydrophobicContact CD1-CG2 4.35Å; I493-T500 HydrophobicContact CG1-CG2 3.93Å; I493-T500 HydrophobicContact CG2-CG2 4.18Å; I493-L507 WeakPolarHBondContact O-CD1 3.41Å; I493-L507 VanDerWaalsContact O-CD2 3.31Å; I493-L507 WeakPolarHBondContact O-CD2 3.47Å
494	C	90.6	Very high	82.2	Confident	0 Å²	0	79.8 Å²	79.8	0%	0	40%	0.395	C	S	.	.			trans	-93.4	115.8	166.1	-178.7	0	0	0	0	109.8	Q496 C497 G498 Q499 F501 L507 H510 H514	C494-Q496 VanDerWaalsContact C-N 3.28Å; C494-Q496 PolarHBondContact O-N 2.94Å; C494-C497 PolarHBondContact O-N 3.45Å; C494-G498 VanDerWaalsContact O-CA 3.24Å; C494-G498 WeakPolarHBondContact O-CA 3.17Å; C494-G498 PolarHBondContact O-N 3.45Å; C494-Q499 PolarHBondContact N-O 3.47Å; C494-F501 HydrophobicContact CB-CE2 4.27Å; C494-L507 HydrophobicContact CB-CD1 3.48Å; C494-L507 VanDerWaalsContact CB-CD1 3.48Å; C494-H510 VanDerWaalsContact SG-CD2 3.59Å; C494-H514 PolarHBondContact SG-NE2 3.1Å
495	D	87.1	Confident	82.4	Confident	131 Å²	131	84.4 Å²	84.4	70%	0.701	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-33.9	-171	-44.3	-77.3	0	0	0	112.4
496	Q	85.6	Confident	82.8	Confident	137 Å²	137	83.2 Å²	83.2	64%	0.64	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-39.5	-177.2	-59.3	-177	5.1	0	0	112.8	C494 H514	C494-Q496 VanDerWaalsContact C-N 3.28Å; C494-Q496 PolarHBondContact O-N 2.94Å; Q496-H514 PolarHBondContact OE1-CD2 3.34Å
497	C	87.4	Confident	83.2	Confident	52 Å²	52	80.9 Å²	80.9	35%	0.351	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	-14.3	-175	71.1	0	0	0	0	114.7	C494 Q499 H510	C494-C497 PolarHBondContact O-N 3.45Å; C497-Q499 VanDerWaalsContact C-N 3.31Å; C497-Q499 WeakPolarHBondContact SG-CB 3.45Å; C497-Q499 PolarHBondContact SG-N 2.96Å; C497-H510 PolarHBondContact SG-NE2 3.45Å
498	G	84.1	Confident	83.8	Confident	39 Å²	39	81.5 Å²	81.5	40%	0.402	40%	0.401	S	S	.	.			trans	77.3	3.6	-173.4	0	0	0	0	0	115.4	C494	C494-G498 VanDerWaalsContact O-CA 3.24Å; C494-G498 WeakPolarHBondContact O-CA 3.17Å; C494-G498 PolarHBondContact O-N 3.45Å
499	Q	86	Confident	84.7	Confident	101 Å²	101	76.7 Å²	76.7	47%	0.472	38%	0.382	S	S	.	.			trans	-71.9	136.3	-178.6	-169.1	171	5.3	0	0	111.1	C494 C497 F501 H510	C494-Q499 PolarHBondContact N-O 3.47Å; C497-Q499 VanDerWaalsContact C-N 3.31Å; C497-Q499 WeakPolarHBondContact SG-CB 3.45Å; C497-Q499 PolarHBondContact SG-N 2.96Å; Q499-F501 HydrophobicContact CB-CE2 4Å; Q499-F501 HydrophobicContact CB-CZ 4.07Å; Q499-F501 HydrophobicContact CG-CE1 4.32Å; Q499-F501 HydrophobicContact CG-CE2 3.93Å; Q499-F501 HydrophobicContact CG-CZ 3.61Å; Q499-F501 WeakPolarHBondContact O-CE2 3.11Å; Q499-H510 PolarHBondContact OE1-CE1 2.86Å
500	T	85.9	Confident	85.4	Confident	55 Å²	55	73.9 Å²	73.9	34%	0.337	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	142.6	-173.9	64.7	0	0	0	0	112.1	R490 Y492 I493	R490-T500 WeakPolarHBondContact CB-OG1 3.34Å; R490-T500 WeakPolarHBondContact CD-OG1 3.38Å; Y492-T500 CarbonylContact O-C 3.54Å; Y492-T500 WeakPolarHBondContact O-CA 3.32Å; I493-T500 HydrophobicContact CB-CG2 4.41Å; I493-T500 HydrophobicContact CD1-CG2 4.35Å; I493-T500 HydrophobicContact CG1-CG2 3.93Å; I493-T500 HydrophobicContact CG2-CG2 4.18Å
501	F	85.6	Confident	86.1	Confident	30 Å²	30	71.3 Å²	71.3	13%	0.132	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	147.4	-172.3	-59.9	-85.5	0	0	0	111.5	R490 N491 Y492 C494 Q499 Q503 H506 L507 H510	R490-F501 CarbonylContact C-O 3.59Å; R490-F501 VanDerWaalsContact C-O 3.26Å; R490-F501 WeakPolarHBondContact CA-O 3.42Å; N491-F501 PolarHBondContact N-O 2.6Å; Y492-F501 PolarHBondContact N-O 2.82Å; Y492-F501 VanDerWaalsContact N-O 3.1Å; Y492-F501 PolarHBondContact O-N 3.13Å; C494-F501 HydrophobicContact CB-CE2 4.27Å; Q499-F501 HydrophobicContact CB-CE2 4Å; Q499-F501 HydrophobicContact CB-CZ 4.07Å; Q499-F501 HydrophobicContact CG-CE1 4.32Å; Q499-F501 HydrophobicContact CG-CE2 3.93Å; Q499-F501 HydrophobicContact CG-CZ 3.61Å; Q499-F501 WeakPolarHBondContact O-CE2 3.11Å; F501-Q503 VanDerWaalsContact C-N 3.35Å; F501-H506 HydrophobicContact CB-CB 4.35Å; F501-H506 HydrophobicContact CD1-CB 3.93Å; F501-H506 HydrophobicContact CG-CB 4.38Å; F501-L507 HydrophobicContact CB-CB 4.47Å; F501-L507 HydrophobicContact CD2-CB 4.01Å; F501-L507 HydrophobicContact CD2-CD1 3.99Å; F501-L507 HydrophobicContact CE2-CD1 4.16Å; F501-L507 HydrophobicContact CG-CB 4.4Å; F501-H510 HydrophobicContact CE1-CB 4.12Å; F501-H510 HydrophobicContact CE2-CB 4Å; F501-H510 AromaticContact CE2-CD2 3.76Å; F501-H510 AromaticContact CE2-CG 3.76Å; F501-H510 HydrophobicContact CZ-CB 3.58Å; F501-H510 AromaticContact CZ-CD2 3.76Å; F501-H510 AromaticContact CZ-CE1 3.97Å; F501-H510 AromaticContact CZ-CG 3.31Å; F501-H510 AromaticContact CZ-ND1 3.49Å; F501-H510 WeakPolarHBondContact CZ-ND1 3.49Å
502	K	83.1	Confident	86.6	Confident	62 Å²	62	69.9 Å²	69.9	27%	0.27	35%	0.348	S	S	.	.	S	Bend	trans	-76.9	-16.3	174.2	-66.4	-169.3	168.1	-176.4	0	113.5	L484 T487 R490	L484-K502 HydrophobicContact CD2-CB 3.76Å; L484-K502 WeakPolarHBondContact CD2-O 3.14Å; L484-K502 WeakPolarHBondContact O-CD 3.35Å; L484-K502 WeakPolarHBondContact O-CE 3.37Å; L484-K502 PolarHBondContact O-NZ 2.95Å; T487-K502 WeakPolarHBondContact O-CE 3.35Å; T487-K502 PolarHBondContact O-NZ 3.06Å; R490-K502 HydrophobicContact CG-CG 3.95Å
503	Q	83.9	Confident	86.7	Confident	53 Å²	53	74.7 Å²	74.7	25%	0.248	37%	0.366	C	S	.	.	S	Bend	trans	-138	140.1	-178.3	-63.9	-177.9	42.1	0	0	113.1	L484 F501 K505 H506 L507	L484-Q503 HydrophobicContact CD1-CG 4.21Å; L484-Q503 HydrophobicContact CD2-CG 3.52Å; F501-Q503 VanDerWaalsContact C-N 3.35Å; Q503-K505 VanDerWaalsContact C-N 3.26Å; Q503-K505 HydrophobicContact CB-CG 4.26Å; Q503-K505 PolarHBondContact O-N 3.35Å; Q503-H506 PolarHBondContact O-N 3.47Å; Q503-H506 VanDerWaalsContact O-N 3.09Å; Q503-L507 PolarHBondContact O-N 3.15Å
504	R	86.8	Confident	86.7	Confident	181 Å²	181	73.6 Å²	73.6	68%	0.683	36%	0.359	S	S	*	.	H	α-helix	trans	-55.8	-37.6	174.3	-167.7	-177.6	-73.8	176.9	-4.2	112.7	Y492 H506 L507 S508	Y492-R504 HydrophobicContact CD1-CB 3.88Å; Y492-R504 HydrophobicContact CD1-CG 4.28Å; Y492-R504 HydrophobicContact CE1-CB 3.62Å; Y492-R504 HydrophobicContact CE1-CG 4.18Å; Y492-R504 HydrophobicContact CE2-CB 4.48Å; Y492-R504 HydrophobicContact CG-CB 4.41Å; R504-H506 VanDerWaalsContact C-N 3.28Å; R504-H506 PolarHBondContact O-N 2.96Å; R504-L507 PolarHBondContact O-N 3.37Å; R504-S508 PolarHBondContact O-N 2.99Å
505	K	85.9	Confident	86.4	Confident	128 Å²	128	77.2 Å²	77.2	56%	0.557	38%	0.383	S	S	*	.	H	α-helix	trans	-60.9	-36.5	178.7	84.9	-176.4	-169.3	-176.5	0	112.2	Q503 V509	Q503-K505 VanDerWaalsContact C-N 3.26Å; Q503-K505 HydrophobicContact CB-CG 4.26Å; Q503-K505 PolarHBondContact O-N 3.35Å; K505-V509 WeakPolarHBondContact O-CG2 3.41Å; K505-V509 PolarHBondContact O-N 3.03Å; K505-V509 VanDerWaalsContact O-N 3.16Å
506	H	87.3	Confident	86.1	Confident	82 Å²	82	72.8 Å²	72.8	38%	0.38	37%	0.369	S	S	.	.	H	α-helix	trans	-75	-37.6	177.5	-57.9	164.2	0	0	0	111.6	F501 Q503 R504 H510	F501-H506 HydrophobicContact CB-CB 4.35Å; F501-H506 HydrophobicContact CD1-CB 3.93Å; F501-H506 HydrophobicContact CG-CB 4.38Å; Q503-H506 PolarHBondContact O-N 3.47Å; Q503-H506 VanDerWaalsContact O-N 3.09Å; R504-H506 VanDerWaalsContact C-N 3.28Å; R504-H506 PolarHBondContact O-N 2.96Å; H506-H510 WeakPolarHBondContact O-CB 3.34Å; H506-H510 PolarHBondContact O-N 3.23Å
507	L	90	Very high	86	Confident	17 Å²	17	70 Å²	70	9%	0.089	36%	0.361	C	S	.	.	H	α-helix	trans	-60.6	-47.3	171.8	171.7	60.3	0	0	0	111.7	I493 C494 F501 Q503 R504 H510 Q511	I493-L507 WeakPolarHBondContact O-CD1 3.41Å; I493-L507 VanDerWaalsContact O-CD2 3.31Å; I493-L507 WeakPolarHBondContact O-CD2 3.47Å; C494-L507 HydrophobicContact CB-CD1 3.48Å; C494-L507 VanDerWaalsContact CB-CD1 3.48Å; F501-L507 HydrophobicContact CB-CB 4.47Å; F501-L507 HydrophobicContact CD2-CB 4.01Å; F501-L507 HydrophobicContact CD2-CD1 3.99Å; F501-L507 HydrophobicContact CE2-CD1 4.16Å; F501-L507 HydrophobicContact CG-CB 4.4Å; Q503-L507 PolarHBondContact O-N 3.15Å; R504-L507 PolarHBondContact O-N 3.37Å; L507-H510 CarbonylContact O-C 3.57Å; L507-H510 WeakPolarHBondContact O-CA 3.2Å; L507-H510 WeakPolarHBondContact O-CB 3.32Å; L507-H510 PolarHBondContact O-N 2.98Å; L507-H510 VanDerWaalsContact O-N 3.12Å; L507-Q511 HydrophobicContact CD1-CG 4.02Å; L507-Q511 HydrophobicContact CG-CG 4.45Å; L507-Q511 WeakPolarHBondContact O-CG 3.32Å; L507-Q511 PolarHBondContact O-N 2.88Å
508	S	88.7	Confident	85.8	Confident	53 Å²	53	71.8 Å²	71.8	37%	0.371	36%	0.363	S	S	.	.	H	α-helix	trans	-61.4	-47.5	179.5	176.9	0	0	0	0	112.4	R504 H510 Q511 M512	R504-S508 PolarHBondContact O-N 2.99Å; S508-H510 PolarHBondContact O-N 3.44Å; S508-Q511 PolarHBondContact O-N 3.45Å; S508-M512 WeakPolarHBondContact O-CG 3.12Å; S508-M512 PolarHBondContact O-N 3.25Å
509	V	87.6	Confident	85.8	Confident	44 Å²	44	73.7 Å²	73.7	27%	0.267	37%	0.368	S	S	.	.	H	α-helix	trans	-62.6	-31.6	174	168.4	0	0	0	0	112.1	K505 Q531	K505-V509 WeakPolarHBondContact O-CG2 3.41Å; K505-V509 PolarHBondContact O-N 3.03Å; K505-V509 VanDerWaalsContact O-N 3.16Å; V509-Q531 HydrophobicContact CG1-CG 3.58Å
510	H	88.5	Confident	85.8	Confident	23 Å²	23	70.8 Å²	70.8	11%	0.106	36%	0.356	C	S	.	.	H	α-helix	trans	-72.5	-39.5	173.4	174.9	87.5	0	0	0	112.5	C494 C497 Q499 F501 H506 L507 S508 M512 R513 H514	C494-H510 VanDerWaalsContact SG-CD2 3.59Å; C497-H510 PolarHBondContact SG-NE2 3.45Å; Q499-H510 PolarHBondContact OE1-CE1 2.86Å; F501-H510 HydrophobicContact CE1-CB 4.12Å; F501-H510 HydrophobicContact CE2-CB 4Å; F501-H510 AromaticContact CE2-CD2 3.76Å; F501-H510 AromaticContact CE2-CG 3.76Å; F501-H510 HydrophobicContact CZ-CB 3.58Å; F501-H510 AromaticContact CZ-CD2 3.76Å; F501-H510 AromaticContact CZ-CE1 3.97Å; F501-H510 AromaticContact CZ-CG 3.31Å; F501-H510 AromaticContact CZ-ND1 3.49Å; F501-H510 WeakPolarHBondContact CZ-ND1 3.49Å; H506-H510 WeakPolarHBondContact O-CB 3.34Å; H506-H510 PolarHBondContact O-N 3.23Å; L507-H510 CarbonylContact O-C 3.57Å; L507-H510 WeakPolarHBondContact O-CA 3.2Å; L507-H510 WeakPolarHBondContact O-CB 3.32Å; L507-H510 PolarHBondContact O-N 2.98Å; L507-H510 VanDerWaalsContact O-N 3.12Å; S508-H510 PolarHBondContact O-N 3.44Å; H510-M512 PolarHBondContact O-N 3.1Å; H510-R513 WeakPolarHBondContact O-CB 3.38Å; H510-R513 PolarHBondContact O-N 3.16Å; H510-H514 AromaticContact CD2-NE2 3.54Å; H510-H514 AromaticContact CE1-CE1 3.95Å; H510-H514 AromaticContact CE1-NE2 3.77Å; H510-H514 AromaticContact NE2-CE1 3.53Å; H510-H514 AromaticContact NE2-NE2 2.95Å; H510-H514 PolarHBondContact NE2-NE2 3.39Å
511	Q	87.4	Confident	85.8	Confident	70 Å²	70	73.2 Å²	73.2	33%	0.327	36%	0.363	S	S	.	.	H	α-helix	trans	-60.3	-35.3	176.1	-74.7	164.6	-43.4	0	0	111.6	L507 S508 R513 H514 S515	L507-Q511 HydrophobicContact CD1-CG 4.02Å; L507-Q511 HydrophobicContact CG-CG 4.45Å; L507-Q511 WeakPolarHBondContact O-CG 3.32Å; L507-Q511 PolarHBondContact O-N 2.88Å; S508-Q511 PolarHBondContact O-N 3.45Å; Q511-R513 PolarHBondContact O-N 3.45Å; Q511-R513 VanDerWaalsContact O-N 3.13Å; Q511-H514 PolarHBondContact O-N 3.3Å; Q511-S515 PolarHBondContact O-N 3.33Å; Q511-S515 VanDerWaalsContact O-N 3.14Å; Q511-S515 PolarHBondContact O-OG 3.3Å
512	M	88.9	Confident	85.8	Confident	43 Å²	43	71.8 Å²	71.8	21%	0.212	36%	0.357	C	S	.	.	H	α-helix	trans	-59	-20.1	171.2	-63.1	173.9	-168.9	0	0	113.9	S508 H510 G516 P519 R530	S508-M512 WeakPolarHBondContact O-CG 3.12Å; S508-M512 PolarHBondContact O-N 3.25Å; H510-M512 PolarHBondContact O-N 3.1Å; M512-G516 CarbonylContact O-C 3.59Å; M512-G516 PolarHBondContact O-N 2.97Å; M512-P519 HydrophobicContact CE-CG 4.36Å; M512-P519 HydrophobicContact SD-CG 4.09Å; M512-R530 HydrophobicContact CB-CG 4.22Å; M512-R530 PolarHBondContact O-NE 2.84Å; M512-R530 PolarHBondContact O-NH2 3.33Å; M512-R530 HydrophobicContact SD-CB 4.48Å
513	R	85.1	Confident	85.6	Confident	174 Å²	174	77.8 Å²	77.8	66%	0.657	39%	0.386	S	S	*	.	H	α-helix	trans	-66.8	-43	172.3	-176.8	-178.3	167.8	158.8	-0.5	111.2	H510 Q511	H510-R513 WeakPolarHBondContact O-CB 3.38Å; H510-R513 PolarHBondContact O-N 3.16Å; Q511-R513 PolarHBondContact O-N 3.45Å; Q511-R513 VanDerWaalsContact O-N 3.13Å
514	H	85.5	Confident	85.1	Confident	71 Å²	71	80.2 Å²	80.2	33%	0.329	40%	0.404	S	S	.	.	H	α-helix	trans	-81.6	-41.4	-174.9	-50.4	-50	0	0	0	112.1	C494 Q496 H510 Q511 G516	C494-H514 PolarHBondContact SG-NE2 3.1Å; Q496-H514 PolarHBondContact OE1-CD2 3.34Å; H510-H514 AromaticContact CD2-NE2 3.54Å; H510-H514 AromaticContact CE1-CE1 3.95Å; H510-H514 AromaticContact CE1-NE2 3.77Å; H510-H514 AromaticContact NE2-CE1 3.53Å; H510-H514 AromaticContact NE2-NE2 2.95Å; H510-H514 PolarHBondContact NE2-NE2 3.39Å; Q511-H514 PolarHBondContact O-N 3.3Å; H514-G516 PolarHBondContact O-N 2.82Å; H514-G516 VanDerWaalsContact O-N 3.14Å
515	S	83.3	Confident	84.5	Confident	75 Å²	75	75 Å²	75	52%	0.524	39%	0.394	S	S	.	.	S	Bend	trans	-72.3	-0.8	176.3	64	0	0	0	0	113.8	Q511 V517	Q511-S515 PolarHBondContact O-N 3.33Å; Q511-S515 VanDerWaalsContact O-N 3.14Å; Q511-S515 PolarHBondContact O-OG 3.3Å; S515-V517 PolarHBondContact O-N 3.08Å
516	G	81.5	Confident	84.2	Confident	38 Å²	38	70.5 Å²	70.5	39%	0.392	39%	0.385	S	S	.	.			trans	73.8	-32.6	-176.2	0	0	0	0	0	114.3	M512 H514 R530	M512-G516 CarbonylContact O-C 3.59Å; M512-G516 PolarHBondContact O-N 2.97Å; H514-G516 PolarHBondContact O-N 2.82Å; H514-G516 VanDerWaalsContact O-N 3.14Å; G516-R530 PolarHBondContact O-NH2 2.9Å
517	V	82.5	Confident	83.8	Confident	79 Å²	79	71.3 Å²	71.3	48%	0.479	39%	0.387	S	S	.	.			trans	-45.2	130.7	-170.7	-176	0	0	0	0	113.3	S515 P519 R530	S515-V517 PolarHBondContact O-N 3.08Å; V517-P519 HydrophobicContact CG1-CB 4.49Å; V517-R530 PolarHBondContact O-NE 2.94Å
518	K	84.6	Confident	83.7	Confident	90 Å²	90	74.4 Å²	74.4	39%	0.391	40%	0.401	S	S	.	.			trans	-126.6	86.7	175.8	-65	164.7	173.2	-171.4	0	108.2	L520 Q528 C529 R530	K518-L520 PolarHBondContact O-N 3.4Å; K518-L520 VanDerWaalsContact O-N 3.1Å; K518-Q528 HydrophobicContact CB-CB 3.75Å; K518-Q528 HydrophobicContact CD-CB 3.58Å; K518-Q528 WeakPolarHBondContact CD-O 2.83Å; K518-Q528 HydrophobicContact CG-CB 4.32Å; K518-C529 CarbonylContact C-O 3.57Å; K518-C529 VanDerWaalsContact CA-O 3.31Å; K518-C529 WeakPolarHBondContact CA-O 3.48Å; K518-C529 WeakPolarHBondContact CB-O 3.44Å; K518-R530 HydrophobicContact CG-CG 4.22Å
519	P	82.9	Confident	83.5	Confident	79 Å²	79	72.4 Å²	72.4	51%	0.513	39%	0.387	S	S	.	.			trans	-78.1	7.5	-169.2	33.3	-35.6	0	0	0	113.9	M512 V517	M512-P519 HydrophobicContact CE-CG 4.36Å; M512-P519 HydrophobicContact SD-CG 4.09Å; V517-P519 HydrophobicContact CG1-CB 4.49Å
520	L	86.4	Confident	83.5	Confident	40 Å²	40	74.1 Å²	74.1	21%	0.209	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	121.1	-176.8	-62.6	172.5	0	0	0	108.6	K518 Q528 C529 R532 L535	K518-L520 PolarHBondContact O-N 3.4Å; K518-L520 VanDerWaalsContact O-N 3.1Å; L520-Q528 CarbonylContact O-C 3.36Å; L520-Q528 VanDerWaalsContact O-CA 3.3Å; L520-Q528 WeakPolarHBondContact O-CA 3.09Å; L520-C529 PolarHBondContact N-O 2.96Å; L520-C529 PolarHBondContact O-N 3.46Å; L520-R532 HydrophobicContact CD1-CB 4.34Å; L520-R532 HydrophobicContact CD1-CG 3.76Å; L520-R532 VanDerWaalsContact CD1-N 3.26Å; L520-R532 HydrophobicContact CD2-CG 4.28Å; L520-L535 HydrophobicContact CB-CD2 4.33Å
521	Q	87.1	Confident	83.4	Confident	106 Å²	106	77.4 Å²	77.4	50%	0.495	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	144.3	-179.4	-176.1	161.9	-40.8	0	0	110	F527 Q528	Q521-F527 CarbonylContact C-O 3.01Å; Q521-Q528 HydrophobicContact CB-CG 4.03Å; Q521-Q528 HydrophobicContact CG-CG 3.92Å
522	C	84.3	Confident	83.4	Confident	0 Å²	0	84 Å²	84	0%	0	43%	0.426	C	S	.	.			trans	-78.9	125.2	167.3	-177.1	0	0	0	0	110.1	V524 G526 F527 L535 H538 M539 H542	C522-V524 VanDerWaalsContact C-N 3.28Å; C522-V524 PolarHBondContact O-N 3.03Å; C522-V524 PolarHBondContact SG-N 2.73Å; C522-V524 VanDerWaalsContact SG-N 3.43Å; C522-G526 WeakPolarHBondContact O-CA 3.21Å; C522-G526 PolarHBondContact O-N 3.22Å; C522-F527 HydrophobicContact CB-CB 4.1Å; C522-F527 WeakPolarHBondContact CB-O 3.35Å; C522-F527 PolarHBondContact N-O 3.25Å; C522-L535 HydrophobicContact CB-CD1 4.09Å; C522-H538 VanDerWaalsContact CB-NE2 3.27Å; C522-H538 WeakPolarHBondContact CB-NE2 3.33Å; C522-H538 PolarHBondContact SG-NE2 3.13Å; C522-M539 HydrophobicContact CB-CE 4.29Å; C522-M539 VanDerWaalsContact SG-CE 3.52Å; C522-H542 PolarHBondContact SG-CD2 3.42Å; C522-H542 PolarHBondContact SG-NE2 3.25Å; C522-H542 VanDerWaalsContact SG-NE2 3.36Å
523	E	79.3	Confident	83.3	Confident	187 Å²	187	85.2 Å²	85.2	87%	0.874	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-25.4	177.4	-68.5	160.5	-170.3	0	0	112.3
524	V	72.9	Confident	83.4	Confident	104 Å²	104	79.4 Å²	79.4	63%	0.63	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-37.5	-176.6	-176.9	0	0	0	0	112.9	C522 M539	C522-V524 VanDerWaalsContact C-N 3.28Å; C522-V524 PolarHBondContact O-N 3.03Å; C522-V524 PolarHBondContact SG-N 2.73Å; C522-V524 VanDerWaalsContact SG-N 3.43Å; V524-M539 HydrophobicContact CG2-SD 4.49Å
525	C	75.6	Confident	83.5	Confident	71 Å²	71	77.5 Å²	77.5	48%	0.48	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.8	6	-174.8	75.3	0	0	0	0	115.5	F527 H538 H542	C525-F527 PolarHBondContact O-N 3.31Å; C525-F527 WeakPolarHBondContact SG-CB 3.5Å; C525-H538 PolarHBondContact SG-CE1 2.83Å; C525-H538 PolarHBondContact SG-NE2 3.39Å; C525-H542 PolarHBondContact SG-NE2 3.21Å
526	G	78.3	Confident	83.7	Confident	34 Å²	34	81.8 Å²	81.8	35%	0.351	43%	0.43	S	S	.	.			trans	71.8	0.5	-178	0	0	0	0	0	115.5	C522 Q528	C522-G526 WeakPolarHBondContact O-CA 3.21Å; C522-G526 PolarHBondContact O-N 3.22Å; G526-Q528 PolarHBondContact O-N 3.07Å; G526-Q528 VanDerWaalsContact O-N 3.16Å
527	F	79.7	Confident	83.9	Confident	99 Å²	99	87.1 Å²	87.1	43%	0.434	44%	0.44	S	S	.	.			trans	-59.5	119.1	-179.6	173.6	-102.7	0	0	0	112.2	Q521 C522 C525 C529 H538	Q521-F527 CarbonylContact C-O 3.01Å; C522-F527 HydrophobicContact CB-CB 4.1Å; C522-F527 WeakPolarHBondContact CB-O 3.35Å; C522-F527 PolarHBondContact N-O 3.25Å; C525-F527 PolarHBondContact O-N 3.31Å; C525-F527 WeakPolarHBondContact SG-CB 3.5Å; F527-C529 HydrophobicContact CE1-CB 3.83Å; F527-C529 HydrophobicContact CZ-CB 4.31Å; F527-H538 HydrophobicContact CD1-CB 4.28Å; F527-H538 AromaticContact CD1-CD2 3.65Å; F527-H538 AromaticContact CD1-CE1 3.84Å; F527-H538 AromaticContact CD1-CG 3.63Å; F527-H538 AromaticContact CD1-ND1 3.75Å; F527-H538 AromaticContact CD1-NE2 3.76Å; F527-H538 HydrophobicContact CE1-CB 4.28Å; F527-H538 AromaticContact CG-CE1 3.92Å; F527-H538 AromaticContact CG-NE2 3.99Å
528	Q	86.9	Confident	84	Confident	82 Å²	82	84.8 Å²	84.8	38%	0.383	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	134.9	-178.5	-69.4	-179.2	-10.7	0	0	112.7	K518 L520 Q521 G526	K518-Q528 HydrophobicContact CB-CB 3.75Å; K518-Q528 HydrophobicContact CD-CB 3.58Å; K518-Q528 WeakPolarHBondContact CD-O 2.83Å; K518-Q528 HydrophobicContact CG-CB 4.32Å; L520-Q528 CarbonylContact O-C 3.36Å; L520-Q528 VanDerWaalsContact O-CA 3.3Å; L520-Q528 WeakPolarHBondContact O-CA 3.09Å; Q521-Q528 HydrophobicContact CB-CG 4.03Å; Q521-Q528 HydrophobicContact CG-CG 3.92Å; G526-Q528 PolarHBondContact O-N 3.07Å; G526-Q528 VanDerWaalsContact O-N 3.16Å
529	C	85.7	Confident	83.9	Confident	11 Å²	11	83.1 Å²	83.1	7%	0.074	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	179	179.4	80.4	0	0	0	0	113.5	K518 L520 F527 Q531	K518-C529 CarbonylContact C-O 3.57Å; K518-C529 VanDerWaalsContact CA-O 3.31Å; K518-C529 WeakPolarHBondContact CA-O 3.48Å; K518-C529 WeakPolarHBondContact CB-O 3.44Å; L520-C529 PolarHBondContact N-O 2.96Å; L520-C529 PolarHBondContact O-N 3.46Å; F527-C529 HydrophobicContact CE1-CB 3.83Å; F527-C529 HydrophobicContact CZ-CB 4.31Å; C529-Q531 PolarHBondContact SG-O 3.24Å
530	R	87.1	Confident	84	Confident	81 Å²	81	82.8 Å²	82.8	31%	0.306	41%	0.414	S	S	.	.	S	Bend	trans	-107.9	-9.6	-172.5	-64.5	-179.8	177.5	106	-0.4	115.1	M512 G516 V517 K518	M512-R530 HydrophobicContact CB-CG 4.22Å; M512-R530 PolarHBondContact O-NE 2.84Å; M512-R530 PolarHBondContact O-NH2 3.33Å; M512-R530 HydrophobicContact SD-CB 4.48Å; G516-R530 PolarHBondContact O-NH2 2.9Å; V517-R530 PolarHBondContact O-NE 2.94Å; K518-R530 HydrophobicContact CG-CG 4.22Å
531	Q	87.6	Confident	83.6	Confident	91 Å²	91	85.6 Å²	85.6	43%	0.425	43%	0.425	S	S	.	.			trans	-139.1	137.9	-173.2	-57.9	-175.3	26.7	0	0	111.2	V509 C529 A533 S534 L535	V509-Q531 HydrophobicContact CG1-CG 3.58Å; C529-Q531 PolarHBondContact SG-O 3.24Å; Q531-A533 PolarHBondContact O-N 3.24Å; Q531-S534 WeakPolarHBondContact O-CB 3.16Å; Q531-S534 PolarHBondContact O-N 3.36Å; Q531-L535 PolarHBondContact O-N 2.73Å
532	R	87.3	Confident	83.1	Confident	208 Å²	208	81.9 Å²	81.9	79%	0.785	41%	0.408	S	S	*	.	H	α-helix	trans	-59.9	-32.1	176.7	-68.3	-174.7	-180	178.2	-1.7	112.3	L520 L535 K536	L520-R532 HydrophobicContact CD1-CB 4.34Å; L520-R532 HydrophobicContact CD1-CG 3.76Å; L520-R532 VanDerWaalsContact CD1-N 3.26Å; L520-R532 HydrophobicContact CD2-CG 4.28Å; R532-L535 PolarHBondContact O-N 3.35Å; R532-K536 WeakPolarHBondContact O-CB 3.45Å; R532-K536 PolarHBondContact O-N 3.27Å
533	A	86.4	Confident	82.7	Confident	69 Å²	69	89.1 Å²	89.1	57%	0.57	44%	0.439	S	S	*	.	H	α-helix	trans	-62.9	-44.5	173.3	0	0	0	0	0	112.2	Q531 K536 Y537	Q531-A533 PolarHBondContact O-N 3.24Å; A533-K536 PolarHBondContact O-N 2.96Å; A533-Y537 WeakPolarHBondContact O-CB 3.42Å; A533-Y537 PolarHBondContact O-N 3.07Å
534	S	86.8	Confident	82.4	Confident	52 Å²	52	82.9 Å²	82.9	36%	0.364	42%	0.419	S	S	.	.	H	α-helix	trans	-64.2	-39	175.1	-51.4	0	0	0	0	112.2	Q531 H538	Q531-S534 WeakPolarHBondContact O-CB 3.16Å; Q531-S534 PolarHBondContact O-N 3.36Å; S534-H538 VanDerWaalsContact O-CB 3.25Å; S534-H538 WeakPolarHBondContact O-CB 3.19Å; S534-H538 PolarHBondContact O-N 3.2Å
535	L	88.1	Confident	82.3	Confident	32 Å²	32	81.5 Å²	81.5	17%	0.168	41%	0.406	C	S	.	.	H	α-helix	trans	-65.8	-45.2	173.9	-171.2	66.3	0	0	0	111.3	L520 C522 Q531 R532 Y537 H538 M539	L520-L535 HydrophobicContact CB-CD2 4.33Å; C522-L535 HydrophobicContact CB-CD1 4.09Å; Q531-L535 PolarHBondContact O-N 2.73Å; R532-L535 PolarHBondContact O-N 3.35Å; L535-Y537 PolarHBondContact O-N 3Å; L535-H538 PolarHBondContact O-N 3.13Å; L535-M539 HydrophobicContact CD1-CE 4.43Å; L535-M539 HydrophobicContact CG-CG 4.49Å; L535-M539 WeakPolarHBondContact O-CG 3.4Å; L535-M539 PolarHBondContact O-N 2.81Å
536	K	87.3	Confident	81.9	Confident	165 Å²	165	80.3 Å²	80.3	72%	0.717	40%	0.402	S	S	*	.	H	α-helix	trans	-60.8	-43.4	178.3	-171.5	175.1	-178.1	177.2	0	111.8	R532 A533 M539 T540	R532-K536 WeakPolarHBondContact O-CB 3.45Å; R532-K536 PolarHBondContact O-N 3.27Å; A533-K536 PolarHBondContact O-N 2.96Å; K536-M539 PolarHBondContact O-N 3.27Å; K536-T540 PolarHBondContact O-N 3.04Å
537	Y	85.4	Confident	81.4	Confident	150 Å²	150	85 Å²	85	59%	0.588	42%	0.418	S	S	*	.	H	α-helix	trans	-64.3	-42.7	173.8	177.4	-92.8	0	0	0	112.3	A533 L535 M539 T540	A533-Y537 WeakPolarHBondContact O-CB 3.42Å; A533-Y537 PolarHBondContact O-N 3.07Å; L535-Y537 PolarHBondContact O-N 3Å; Y537-M539 VanDerWaalsContact C-N 3.32Å; Y537-M539 PolarHBondContact O-N 3.38Å; Y537-T540 PolarHBondContact O-N 3.18Å; Y537-T540 VanDerWaalsContact O-N 3.15Å; Y537-T540 PolarHBondContact O-OG1 3.06Å
538	H	85.1	Confident	81.2	Confident	30 Å²	30	82.4 Å²	82.4	14%	0.139	41%	0.409	C	S	.	.	H	α-helix	trans	-61.9	-40	175	169.2	69.3	0	0	0	111.9	C522 C525 F527 S534 L535 T540 K541 H542	C522-H538 VanDerWaalsContact CB-NE2 3.27Å; C522-H538 WeakPolarHBondContact CB-NE2 3.33Å; C522-H538 PolarHBondContact SG-NE2 3.13Å; C525-H538 PolarHBondContact SG-CE1 2.83Å; C525-H538 PolarHBondContact SG-NE2 3.39Å; F527-H538 HydrophobicContact CD1-CB 4.28Å; F527-H538 AromaticContact CD1-CD2 3.65Å; F527-H538 AromaticContact CD1-CE1 3.84Å; F527-H538 AromaticContact CD1-CG 3.63Å; F527-H538 AromaticContact CD1-ND1 3.75Å; F527-H538 AromaticContact CD1-NE2 3.76Å; F527-H538 HydrophobicContact CE1-CB 4.28Å; F527-H538 AromaticContact CG-CE1 3.92Å; F527-H538 AromaticContact CG-NE2 3.99Å; S534-H538 VanDerWaalsContact O-CB 3.25Å; S534-H538 WeakPolarHBondContact O-CB 3.19Å; S534-H538 PolarHBondContact O-N 3.2Å; L535-H538 PolarHBondContact O-N 3.13Å; H538-T540 VanDerWaalsContact C-N 3.28Å; H538-T540 PolarHBondContact O-N 2.65Å; H538-K541 VanDerWaalsContact O-CB 3.31Å; H538-K541 WeakPolarHBondContact O-CB 3.47Å; H538-K541 PolarHBondContact O-N 3.34Å; H538-H542 AromaticContact CE1-CE1 3.92Å; H538-H542 AromaticContact CE1-NE2 3.4Å; H538-H542 PolarHBondContact CE1-NE2 3.16Å; H538-H542 AromaticContact NE2-CD2 3.69Å; H538-H542 AromaticContact NE2-NE2 3.19Å; H538-H542 PolarHBondContact NE2-NE2 3.02Å; H538-H542 VanDerWaalsContact NE2-NE2 3.19Å; H538-H542 PolarHBondContact O-N 3.04Å
539	M	81.8	Confident	80.6	Confident	54 Å²	54	85.8 Å²	85.8	27%	0.266	43%	0.425	S	S	.	.	H	α-helix	trans	-65.5	-23.9	174.5	-70.1	-64	-165.8	0	0	113.7	C522 V524 L535 K536 Y537 K541 H542 K543	C522-M539 HydrophobicContact CB-CE 4.29Å; C522-M539 VanDerWaalsContact SG-CE 3.52Å; V524-M539 HydrophobicContact CG2-SD 4.49Å; L535-M539 HydrophobicContact CD1-CE 4.43Å; L535-M539 HydrophobicContact CG-CG 4.49Å; L535-M539 WeakPolarHBondContact O-CG 3.4Å; L535-M539 PolarHBondContact O-N 2.81Å; K536-M539 PolarHBondContact O-N 3.27Å; Y537-M539 VanDerWaalsContact C-N 3.32Å; Y537-M539 PolarHBondContact O-N 3.38Å; M539-K541 VanDerWaalsContact C-N 3.28Å; M539-H542 PolarHBondContact O-N 2.87Å; M539-K543 PolarHBondContact O-N 2.93Å
540	T	84.8	Confident	80.1	Confident	72 Å²	72	88.3 Å²	88.3	44%	0.442	44%	0.435	S	S	.	.	H	α-helix	trans	-72.4	-23.2	171.4	68.8	0	0	0	0	112.6	K536 Y537 H538 A544	K536-T540 PolarHBondContact O-N 3.04Å; Y537-T540 PolarHBondContact O-N 3.18Å; Y537-T540 VanDerWaalsContact O-N 3.15Å; Y537-T540 PolarHBondContact O-OG1 3.06Å; H538-T540 VanDerWaalsContact C-N 3.28Å; H538-T540 PolarHBondContact O-N 2.65Å; T540-A544 WeakPolarHBondContact O-CB 3.35Å; T540-A544 PolarHBondContact O-N 3.43Å; T540-A544 VanDerWaalsContact O-N 3.08Å
541	K	78.7	Confident	79.8	Confident	100 Å²	100	86.6 Å²	86.6	44%	0.435	44%	0.438	S	S	.	.	H	α-helix	trans	-66.8	-47.2	167.2	-61.6	-60.9	-173.4	175.6	0	110.7	H538 M539 K543 A544 E545	H538-K541 VanDerWaalsContact O-CB 3.31Å; H538-K541 WeakPolarHBondContact O-CB 3.47Å; H538-K541 PolarHBondContact O-N 3.34Å; M539-K541 VanDerWaalsContact C-N 3.28Å; K541-K543 VanDerWaalsContact C-N 3.27Å; K541-K543 PolarHBondContact O-N 3.33Å; K541-A544 CarbonylContact O-C 3.53Å; K541-A544 PolarHBondContact O-N 2.72Å; K541-A544 VanDerWaalsContact O-N 3.16Å; K541-E545 VanDerWaalsContact O-CB 3.32Å; K541-E545 WeakPolarHBondContact O-CB 3.13Å; K541-E545 WeakPolarHBondContact O-CG 3.48Å; K541-E545 PolarHBondContact O-N 2.66Å
542	H	77.2	Confident	79.5	Confident	28 Å²	28	82.4 Å²	82.4	13%	0.13	42%	0.418	C	S	.	.	H	α-helix	trans	-63.4	-27.9	175.6	-70	-31.3	0	0	0	114.6	C522 C525 H538 M539 E545 A546	C522-H542 PolarHBondContact SG-CD2 3.42Å; C522-H542 PolarHBondContact SG-NE2 3.25Å; C522-H542 VanDerWaalsContact SG-NE2 3.36Å; C525-H542 PolarHBondContact SG-NE2 3.21Å; H538-H542 AromaticContact CE1-CE1 3.92Å; H538-H542 AromaticContact CE1-NE2 3.4Å; H538-H542 PolarHBondContact CE1-NE2 3.16Å; H538-H542 AromaticContact NE2-CD2 3.69Å; H538-H542 AromaticContact NE2-NE2 3.19Å; H538-H542 PolarHBondContact NE2-NE2 3.02Å; H538-H542 VanDerWaalsContact NE2-NE2 3.19Å; H538-H542 PolarHBondContact O-N 3.04Å; M539-H542 PolarHBondContact O-N 2.87Å; H542-E545 IonicContact CE1-OE2 3.93Å; H542-E545 IonicContact CG-OE2 2.77Å; H542-E545 IonicContact ND1-OE2 3.55Å; H542-E545 PolarHBondContact ND1-OE2 2.79Å; H542-A546 WeakPolarHBondContact O-CB 3.32Å; H542-A546 PolarHBondContact O-N 2.96Å
543	K	75.9	Confident	78.9	Confident	151 Å²	151	82.2 Å²	82.2	66%	0.657	42%	0.423	S	S	*	.	H	α-helix	trans	-67.2	-55.2	168.2	-70.4	-163.9	172.7	-158	0	111.5	M539 K541 E545 A546 D547	M539-K543 PolarHBondContact O-N 2.93Å; K541-K543 VanDerWaalsContact C-N 3.27Å; K541-K543 PolarHBondContact O-N 3.33Å; K543-E545 PolarHBondContact O-N 3.18Å; K543-E545 VanDerWaalsContact O-N 3.11Å; K543-A546 WeakPolarHBondContact O-CA 3.23Å; K543-A546 WeakPolarHBondContact O-CB 3.48Å; K543-A546 PolarHBondContact O-N 3.4Å; K543-D547 VanDerWaalsContact O-CG 3.24Å; K543-D547 PolarHBondContact O-N 3.03Å
544	A	72.4	Confident	78.3	Confident	56 Å²	56	83.2 Å²	83.2	46%	0.463	42%	0.419	S	S	.	.	H	α-helix	trans	-60.9	-22.4	177.4	0	0	0	0	0	113.9	T540 K541 L548	T540-A544 WeakPolarHBondContact O-CB 3.35Å; T540-A544 PolarHBondContact O-N 3.43Å; T540-A544 VanDerWaalsContact O-N 3.08Å; K541-A544 CarbonylContact O-C 3.53Å; K541-A544 PolarHBondContact O-N 2.72Å; K541-A544 VanDerWaalsContact O-N 3.16Å; A544-L548 VanDerWaalsContact O-CG 3.3Å; A544-L548 WeakPolarHBondContact O-CG 3.21Å
545	E	70	Confident	77.8	Confident	75 Å²	75	83.4 Å²	83.4	35%	0.35	42%	0.419	S	S	.	.	H	α-helix	trans	-83.4	-35.1	171.2	-71.4	159.1	-171.1	0	0	112.1	K541 H542 K543 D547 L548 R558	K541-E545 VanDerWaalsContact O-CB 3.32Å; K541-E545 WeakPolarHBondContact O-CB 3.13Å; K541-E545 WeakPolarHBondContact O-CG 3.48Å; K541-E545 PolarHBondContact O-N 2.66Å; H542-E545 IonicContact CE1-OE2 3.93Å; H542-E545 IonicContact CG-OE2 2.77Å; H542-E545 IonicContact ND1-OE2 3.55Å; H542-E545 PolarHBondContact ND1-OE2 2.79Å; K543-E545 PolarHBondContact O-N 3.18Å; K543-E545 VanDerWaalsContact O-N 3.11Å; E545-D547 VanDerWaalsContact C-N 3.28Å; E545-D547 PolarHBondContact O-N 2.82Å; E545-L548 VanDerWaalsContact O-CB 3.3Å; E545-L548 WeakPolarHBondContact O-CB 3.32Å; E545-L548 WeakPolarHBondContact O-CG 3.18Å; E545-L548 PolarHBondContact O-N 3.05Å; E545-L548 VanDerWaalsContact O-N 3.1Å; E545-R558 WeakPolarHBondContact O-CB 3.48Å; E545-R558 WeakPolarHBondContact O-CD 3.41Å; E545-R558 PolarHBondContact O-NE 3.31Å
546	A	66.8	Low	77.1	Confident	47 Å²	47	84.5 Å²	84.5	39%	0.388	44%	0.439	S	S	.	.	H	α-helix	trans	-69.1	-26	175.3	0	0	0	0	0	113	H542 K543 L548 R558	H542-A546 WeakPolarHBondContact O-CB 3.32Å; H542-A546 PolarHBondContact O-N 2.96Å; K543-A546 WeakPolarHBondContact O-CA 3.23Å; K543-A546 WeakPolarHBondContact O-CB 3.48Å; K543-A546 PolarHBondContact O-N 3.4Å; A546-L548 PolarHBondContact O-N 3.29Å; A546-R558 PolarHBondContact O-NH1 3.24Å; A546-R558 PolarHBondContact O-NH2 3.37Å
547	D	67.9	Low	76.3	Confident	131 Å²	131	82.3 Å²	82.3	70%	0.701	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-10.4	171.3	-56.2	-34	0	0	0	112.3	K543 E545	K543-D547 VanDerWaalsContact O-CG 3.24Å; K543-D547 PolarHBondContact O-N 3.03Å; E545-D547 VanDerWaalsContact C-N 3.28Å; E545-D547 PolarHBondContact O-N 2.82Å
548	L	76.5	Confident	76	Confident	46 Å²	46	79.7 Å²	79.7	24%	0.241	42%	0.418	C	S	.	.			trans	-86.5	121	178.3	-49.4	176.6	0	0	0	111.2	A544 E545 A546 F550 R558 E560	A544-L548 VanDerWaalsContact O-CG 3.3Å; A544-L548 WeakPolarHBondContact O-CG 3.21Å; E545-L548 VanDerWaalsContact O-CB 3.3Å; E545-L548 WeakPolarHBondContact O-CB 3.32Å; E545-L548 WeakPolarHBondContact O-CG 3.18Å; E545-L548 PolarHBondContact O-N 3.05Å; E545-L548 VanDerWaalsContact O-N 3.1Å; A546-L548 PolarHBondContact O-N 3.29Å; L548-F550 VanDerWaalsContact C-N 3.34Å; L548-F550 PolarHBondContact O-N 2.92Å; L548-R558 HydrophobicContact CB-CB 4.12Å; L548-R558 VanDerWaalsContact O-CZ 3.25Å; L548-R558 PolarHBondContact O-NE 2.74Å; L548-R558 PolarHBondContact O-NH2 3.14Å; L548-E560 HydrophobicContact CD2-CB 4.17Å; L548-E560 HydrophobicContact CD2-CG 4.49Å
549	E	74.6	Confident	75.7	Confident	153 Å²	153	80.2 Å²	80.2	72%	0.715	42%	0.42	S	S	*	.	S	Bend	trans	-60	-36.1	-171.7	-61.6	172.4	157.3	0	0	113.9	A551	E549-A551 PolarHBondContact O-N 3.23Å
550	F	75	Confident	75.6	Confident	63 Å²	63	83 Å²	83	28%	0.276	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	94.2	-166.9	-55.3	-78.8	0	0	0	112.2	L548 R558 F559 A562 L565	L548-F550 VanDerWaalsContact C-N 3.34Å; L548-F550 PolarHBondContact O-N 2.92Å; F550-R558 CarbonylContact O-C 3.57Å; F550-R558 WeakPolarHBondContact O-CA 3.46Å; F550-F559 HydrophobicContact CB-CB 4.39Å; F550-F559 WeakPolarHBondContact CB-O 3.49Å; F550-F559 WeakPolarHBondContact CD2-O 3.38Å; F550-F559 PolarHBondContact N-O 3.27Å; F550-F559 PolarHBondContact O-N 3.27Å; F550-A562 HydrophobicContact CD1-CB 3.73Å; F550-A562 VanDerWaalsContact CD2-N 3.27Å; F550-A562 HydrophobicContact CE1-CB 3.63Å; F550-A562 HydrophobicContact CG-CB 4.25Å; F550-A562 HydrophobicContact CZ-CB 4.06Å; F550-L565 HydrophobicContact CB-CB 3.97Å; F550-L565 HydrophobicContact CB-CD2 3.81Å; F550-L565 HydrophobicContact CB-CG 4.5Å
551	A	80.2	Confident	75.4	Confident	45 Å²	45	84.7 Å²	84.7	37%	0.372	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	136.4	179.8	0	0	0	0	0	113.9	E549 K553 R558	E549-A551 PolarHBondContact O-N 3.23Å; A551-K553 PolarHBondContact O-N 2.86Å; A551-R558 HydrophobicContact CB-CG 3.92Å
552	C	80.6	Confident	75.5	Confident	3 Å²	3	82.4 Å²	82.4	2%	0.02	43%	0.434	C	S	.	.			trans	-76.8	113.5	170.6	176.6	0	0	0	0	111.1	L554 C555 G556 K557 F559 L565 H568 M569	C552-L554 PolarHBondContact O-N 3.44Å; C552-L554 VanDerWaalsContact O-N 3.15Å; C552-L554 PolarHBondContact SG-N 3.06Å; C552-L554 VanDerWaalsContact SG-N 3.44Å; C552-C555 PolarHBondContact SG-N 2.99Å; C552-C555 VanDerWaalsContact SG-N 3.41Å; C552-C555 VanDerWaalsContact SG-SG 3.67Å; C552-G556 VanDerWaalsContact O-CA 3.29Å; C552-G556 WeakPolarHBondContact O-CA 3.34Å; C552-G556 PolarHBondContact O-N 3.05Å; C552-K557 HydrophobicContact CB-CB 4.48Å; C552-K557 VanDerWaalsContact CB-O 3.27Å; C552-K557 WeakPolarHBondContact CB-O 3.35Å; C552-K557 PolarHBondContact N-O 3.19Å; C552-F559 HydrophobicContact CB-CE2 4.27Å; C552-L565 HydrophobicContact CB-CD1 3.8Å; C552-H568 PolarHBondContact SG-NE2 2.82Å; C552-M569 HydrophobicContact CB-CE 4.04Å; C552-M569 WeakPolarHBondContact SG-CE 3.4Å
553	K	76.3	Confident	75.8	Confident	204 Å²	204	87.4 Å²	87.4	89%	0.887	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-14.1	178.1	-62.9	-177.4	178.9	179.9	0	114.4	A551	A551-K553 PolarHBondContact O-N 2.86Å
554	L	74	Confident	76	Confident	90 Å²	90	83.5 Å²	83.5	47%	0.471	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-28.1	-173.5	-62.2	172.4	0	0	0	114.2	C552 M569 H573 T576	C552-L554 PolarHBondContact O-N 3.44Å; C552-L554 VanDerWaalsContact O-N 3.15Å; C552-L554 PolarHBondContact SG-N 3.06Å; C552-L554 VanDerWaalsContact SG-N 3.44Å; L554-M569 HydrophobicContact CD1-SD 4.06Å; L554-H573 HydrophobicContact CD1-CB 3.64Å; L554-T576 HydrophobicContact CD1-CG2 3.98Å; L554-T576 VanDerWaalsContact CD1-OG1 3.24Å; L554-T576 WeakPolarHBondContact CD1-OG1 3.49Å; L554-T576 HydrophobicContact CD2-CG2 4.44Å
555	C	76.1	Confident	76.6	Confident	56 Å²	56	82.1 Å²	82.1	38%	0.378	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.1	13.7	176.1	72.3	0	0	0	0	115	C552 K557 H568 H573	C552-C555 PolarHBondContact SG-N 2.99Å; C552-C555 VanDerWaalsContact SG-N 3.41Å; C552-C555 VanDerWaalsContact SG-SG 3.67Å; C555-K557 PolarHBondContact O-N 3.18Å; C555-H568 VanDerWaalsContact SG-CE1 3.53Å; C555-H568 PolarHBondContact SG-NE2 2.81Å; C555-H573 PolarHBondContact SG-NE2 2.76Å
556	G	71.6	Confident	77.1	Confident	56 Å²	56	83.2 Å²	83.2	58%	0.577	44%	0.436	S	S	*	.			trans	71.9	-10	172.5	0	0	0	0	0	116.3	C552 R558	C552-G556 VanDerWaalsContact O-CA 3.29Å; C552-G556 WeakPolarHBondContact O-CA 3.34Å; C552-G556 PolarHBondContact O-N 3.05Å; G556-R558 WeakPolarHBondContact O-CG 3.49Å
557	K	72	Confident	77.9	Confident	119 Å²	119	83.7 Å²	83.7	52%	0.517	43%	0.434	S	S	.	.			trans	-61.3	137.1	179.8	-66.2	-179.2	-175.7	178.2	0	111.4	C552 C555 F559	C552-K557 HydrophobicContact CB-CB 4.48Å; C552-K557 VanDerWaalsContact CB-O 3.27Å; C552-K557 WeakPolarHBondContact CB-O 3.35Å; C552-K557 PolarHBondContact N-O 3.19Å; C555-K557 PolarHBondContact O-N 3.18Å; K557-F559 HydrophobicContact CB-CE2 3.76Å; K557-F559 HydrophobicContact CB-CZ 3.88Å; K557-F559 WeakPolarHBondContact O-CE2 3.11Å
558	R	79.4	Confident	78.6	Confident	94 Å²	94	78.2 Å²	78.2	36%	0.355	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	148.2	-177.2	-55.4	-173	62.8	156.7	-3.6	111.2	E545 A546 L548 F550 A551 G556	E545-R558 WeakPolarHBondContact O-CB 3.48Å; E545-R558 WeakPolarHBondContact O-CD 3.41Å; E545-R558 PolarHBondContact O-NE 3.31Å; A546-R558 PolarHBondContact O-NH1 3.24Å; A546-R558 PolarHBondContact O-NH2 3.37Å; L548-R558 HydrophobicContact CB-CB 4.12Å; L548-R558 VanDerWaalsContact O-CZ 3.25Å; L548-R558 PolarHBondContact O-NE 2.74Å; L548-R558 PolarHBondContact O-NH2 3.14Å; F550-R558 CarbonylContact O-C 3.57Å; F550-R558 WeakPolarHBondContact O-CA 3.46Å; A551-R558 HydrophobicContact CB-CG 3.92Å; G556-R558 WeakPolarHBondContact O-CG 3.49Å
559	F	77.4	Confident	78.6	Confident	41 Å²	41	77.6 Å²	77.6	18%	0.18	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	141.3	-168.9	-59.6	-90.5	0	0	0	111.1	F550 C552 K557 K561 N564 L565 H568	F550-F559 HydrophobicContact CB-CB 4.39Å; F550-F559 WeakPolarHBondContact CB-O 3.49Å; F550-F559 WeakPolarHBondContact CD2-O 3.38Å; F550-F559 PolarHBondContact N-O 3.27Å; F550-F559 PolarHBondContact O-N 3.27Å; C552-F559 HydrophobicContact CB-CE2 4.27Å; K557-F559 HydrophobicContact CB-CE2 3.76Å; K557-F559 HydrophobicContact CB-CZ 3.88Å; K557-F559 WeakPolarHBondContact O-CE2 3.11Å; F559-K561 PolarHBondContact O-N 3.42Å; F559-N564 HydrophobicContact CB-CB 4.1Å; F559-N564 HydrophobicContact CD1-CB 4Å; F559-N564 HydrophobicContact CG-CB 4.36Å; F559-L565 HydrophobicContact CB-CB 4.3Å; F559-L565 HydrophobicContact CD2-CB 4Å; F559-L565 HydrophobicContact CD2-CD1 3.84Å; F559-L565 HydrophobicContact CE2-CD1 4.01Å; F559-L565 HydrophobicContact CG-CB 4.31Å; F559-H568 HydrophobicContact CE1-CB 3.93Å; F559-H568 HydrophobicContact CE2-CB 4.06Å; F559-H568 AromaticContact CE2-CD2 3.28Å; F559-H568 WeakPolarHBondContact CE2-CD2 3.41Å; F559-H568 AromaticContact CE2-CG 3.77Å; F559-H568 HydrophobicContact CZ-CB 3.53Å; F559-H568 AromaticContact CZ-CD2 3.31Å; F559-H568 WeakPolarHBondContact CZ-CD2 3.46Å; F559-H568 AromaticContact CZ-CG 3.31Å
560	E	79.8	Confident	78.8	Confident	113 Å²	113	73.2 Å²	73.2	53%	0.528	39%	0.386	S	S	.	.	S	Bend	trans	-61.3	-25.8	180	-167.3	-158.7	140.4	0	0	113.5	L548	L548-E560 HydrophobicContact CD2-CB 4.17Å; L548-E560 HydrophobicContact CD2-CG 4.49Å
561	K	81.7	Confident	78.8	Confident	108 Å²	108	77.3 Å²	77.3	47%	0.47	41%	0.408	S	S	.	.	S	Bend	trans	-142.4	140	-170.4	-65.9	176.2	175.8	122.4	0	111.1	F559 H563 N564 L565	F559-K561 PolarHBondContact O-N 3.42Å; K561-H563 PolarHBondContact O-N 3.08Å; K561-H563 VanDerWaalsContact O-N 3.16Å; K561-N564 WeakPolarHBondContact O-CB 3.1Å; K561-N564 PolarHBondContact O-N 3.36Å; K561-L565 PolarHBondContact O-N 3.47Å
562	A	80.7	Confident	78.7	Confident	52 Å²	52	79 Å²	79	43%	0.43	41%	0.414	S	S	.	.	H	α-helix	trans	-51.6	-38.5	176.5	0	0	0	0	0	113.1	F550 N564 L565 N566	F550-A562 HydrophobicContact CD1-CB 3.73Å; F550-A562 VanDerWaalsContact CD2-N 3.27Å; F550-A562 HydrophobicContact CE1-CB 3.63Å; F550-A562 HydrophobicContact CG-CB 4.25Å; F550-A562 HydrophobicContact CZ-CB 4.06Å; A562-N564 VanDerWaalsContact C-N 3.35Å; A562-N564 PolarHBondContact O-N 3.29Å; A562-L565 WeakPolarHBondContact O-CB 3.29Å; A562-L565 PolarHBondContact O-N 2.85Å; A562-N566 WeakPolarHBondContact O-CB 3.39Å; A562-N566 PolarHBondContact O-N 2.92Å
563	H	82.7	Confident	78.7	Confident	132 Å²	132	80.5 Å²	80.5	61%	0.611	42%	0.421	S	S	*	.	H	α-helix	trans	-58.7	-43.3	176	-179.7	78.8	0	0	0	112.6	K561 N566 V567	K561-H563 PolarHBondContact O-N 3.08Å; K561-H563 VanDerWaalsContact O-N 3.16Å; H563-N566 PolarHBondContact O-N 3.1Å; H563-N566 VanDerWaalsContact O-N 3.17Å; H563-V567 WeakPolarHBondContact O-CG2 3.2Å; H563-V567 PolarHBondContact O-N 2.72Å
564	N	81.3	Confident	78.1	Confident	69 Å²	69	74.2 Å²	74.2	37%	0.369	40%	0.4	S	S	.	.	H	α-helix	trans	-68.6	-36.8	-179.9	-63.2	-1.6	0	0	0	111.1	F559 K561 A562 H568	F559-N564 HydrophobicContact CB-CB 4.1Å; F559-N564 HydrophobicContact CD1-CB 4Å; F559-N564 HydrophobicContact CG-CB 4.36Å; K561-N564 WeakPolarHBondContact O-CB 3.1Å; K561-N564 PolarHBondContact O-N 3.36Å; A562-N564 VanDerWaalsContact C-N 3.35Å; A562-N564 PolarHBondContact O-N 3.29Å; N564-H568 VanDerWaalsContact O-CB 3.3Å; N564-H568 WeakPolarHBondContact O-CB 3.34Å; N564-H568 PolarHBondContact O-N 2.98Å
565	L	83.3	Confident	77.6	Confident	28 Å²	28	77.3 Å²	77.3	15%	0.147	42%	0.416	C	S	.	.	H	α-helix	trans	-63.1	-42.2	170.2	173.7	61.9	0	0	0	111.4	F550 C552 F559 K561 A562 H568 M569	F550-L565 HydrophobicContact CB-CB 3.97Å; F550-L565 HydrophobicContact CB-CD2 3.81Å; F550-L565 HydrophobicContact CB-CG 4.5Å; C552-L565 HydrophobicContact CB-CD1 3.8Å; F559-L565 HydrophobicContact CB-CB 4.3Å; F559-L565 HydrophobicContact CD2-CB 4Å; F559-L565 HydrophobicContact CD2-CD1 3.84Å; F559-L565 HydrophobicContact CE2-CD1 4.01Å; F559-L565 HydrophobicContact CG-CB 4.31Å; K561-L565 PolarHBondContact O-N 3.47Å; A562-L565 WeakPolarHBondContact O-CB 3.29Å; A562-L565 PolarHBondContact O-N 2.85Å; L565-H568 WeakPolarHBondContact O-CB 3.48Å; L565-H568 PolarHBondContact O-N 3.01Å; L565-M569 HydrophobicContact CD1-CE 3.98Å; L565-M569 HydrophobicContact CD1-CG 4.35Å; L565-M569 WeakPolarHBondContact O-CG 3.45Å; L565-M569 PolarHBondContact O-N 2.84Å
566	N	81.6	Confident	76.8	Confident	98 Å²	98	77.8 Å²	77.8	52%	0.524	42%	0.418	S	S	.	.	H	α-helix	trans	-68	-42.5	-179.4	-166.8	46.2	0	0	0	112.5	A562 H563 H568 M569 S570	A562-N566 WeakPolarHBondContact O-CB 3.39Å; A562-N566 PolarHBondContact O-N 2.92Å; H563-N566 PolarHBondContact O-N 3.1Å; H563-N566 VanDerWaalsContact O-N 3.17Å; N566-H568 VanDerWaalsContact C-N 3.3Å; N566-H568 PolarHBondContact O-N 3.2Å; N566-M569 PolarHBondContact O-N 2.82Å; N566-S570 PolarHBondContact O-N 3.28Å; N566-S570 PolarHBondContact O-OG 3.34Å
567	V	82.5	Confident	76	Confident	56 Å²	56	78.9 Å²	78.9	34%	0.339	41%	0.41	S	S	.	.	H	α-helix	trans	-62.3	-39	172	172.6	0	0	0	0	110.9	H563 S570 M571	H563-V567 WeakPolarHBondContact O-CG2 3.2Å; H563-V567 PolarHBondContact O-N 2.72Å; V567-S570 PolarHBondContact O-N 3.29Å; V567-S570 PolarHBondContact O-OG 3.38Å; V567-M571 HydrophobicContact CG1-CG 4.31Å; V567-M571 HydrophobicContact CG1-SD 3.73Å; V567-M571 WeakPolarHBondContact O-CB 3.33Å; V567-M571 VanDerWaalsContact O-CG 3.31Å; V567-M571 WeakPolarHBondContact O-CG 3.47Å; V567-M571 PolarHBondContact O-N 3.36Å
568	H	82.4	Confident	74.9	Confident	16 Å²	16	77.3 Å²	77.3	7%	0.074	42%	0.419	C	S	.	.	H	α-helix	trans	-63.7	-41	172.6	166.8	52.9	0	0	0	112.4	C552 C555 F559 N564 L565 N566 V572 H573	C552-H568 PolarHBondContact SG-NE2 2.82Å; C555-H568 VanDerWaalsContact SG-CE1 3.53Å; C555-H568 PolarHBondContact SG-NE2 2.81Å; F559-H568 HydrophobicContact CE1-CB 3.93Å; F559-H568 HydrophobicContact CE2-CB 4.06Å; F559-H568 AromaticContact CE2-CD2 3.28Å; F559-H568 WeakPolarHBondContact CE2-CD2 3.41Å; F559-H568 AromaticContact CE2-CG 3.77Å; F559-H568 HydrophobicContact CZ-CB 3.53Å; F559-H568 AromaticContact CZ-CD2 3.31Å; F559-H568 WeakPolarHBondContact CZ-CD2 3.46Å; F559-H568 AromaticContact CZ-CG 3.31Å; N564-H568 VanDerWaalsContact O-CB 3.3Å; N564-H568 WeakPolarHBondContact O-CB 3.34Å; N564-H568 PolarHBondContact O-N 2.98Å; L565-H568 WeakPolarHBondContact O-CB 3.48Å; L565-H568 PolarHBondContact O-N 3.01Å; N566-H568 VanDerWaalsContact C-N 3.3Å; N566-H568 PolarHBondContact O-N 3.2Å; H568-V572 VanDerWaalsContact ND1-CG2 3.33Å; H568-V572 WeakPolarHBondContact ND1-CG2 3.42Å; H568-V572 WeakPolarHBondContact O-CA 3.45Å; H568-V572 VanDerWaalsContact O-CB 3.25Å; H568-V572 WeakPolarHBondContact O-CB 3.37Å; H568-V572 PolarHBondContact O-N 3.25Å; H568-H573 AromaticContact CE1-CD2 3.81Å; H568-H573 AromaticContact CE1-NE2 3.62Å; H568-H573 AromaticContact NE2-CD2 3.72Å; H568-H573 AromaticContact NE2-NE2 3.58Å
569	M	77.9	Confident	73.2	Confident	33 Å²	33	77.2 Å²	77.2	16%	0.163	44%	0.438	C	S	.	.	H	α-helix	trans	-63.7	-46.7	175.6	-73.2	-66.5	-177.9	0	0	111.8	C552 L554 L565 N566 M571 H573 L577	C552-M569 HydrophobicContact CB-CE 4.04Å; C552-M569 WeakPolarHBondContact SG-CE 3.4Å; L554-M569 HydrophobicContact CD1-SD 4.06Å; L565-M569 HydrophobicContact CD1-CE 3.98Å; L565-M569 HydrophobicContact CD1-CG 4.35Å; L565-M569 WeakPolarHBondContact O-CG 3.45Å; L565-M569 PolarHBondContact O-N 2.84Å; N566-M569 PolarHBondContact O-N 2.82Å; M569-M571 PolarHBondContact O-N 3.34Å; M569-H573 CarbonylContact O-C 3.58Å; M569-H573 WeakPolarHBondContact O-CA 3.47Å; M569-H573 WeakPolarHBondContact O-CB 3.36Å; M569-H573 PolarHBondContact O-N 2.88Å; M569-H573 HydrophobicContact SD-CB 4.12Å; M569-L577 HydrophobicContact CB-CD1 4.23Å
570	S	79.3	Confident	71.7	Confident	61 Å²	61	78.7 Å²	78.7	43%	0.427	46%	0.459	S	S	.	.	H	α-helix	trans	-68.7	-33.7	-179.9	64.3	0	0	0	0	113.7	N566 V567	N566-S570 PolarHBondContact O-N 3.28Å; N566-S570 PolarHBondContact O-OG 3.34Å; V567-S570 PolarHBondContact O-N 3.29Å; V567-S570 PolarHBondContact O-OG 3.38Å
571	M	74.9	Confident	69.8	Low	149 Å²	149	77.1 Å²	77.1	73%	0.734	47%	0.473	S	S	*	.	H	α-helix	trans	-88.9	-30.4	-179.1	-65	-174.5	73.4	0	0	114.8	V567 M569	V567-M571 HydrophobicContact CG1-CG 4.31Å; V567-M571 HydrophobicContact CG1-SD 3.73Å; V567-M571 WeakPolarHBondContact O-CB 3.33Å; V567-M571 VanDerWaalsContact O-CG 3.31Å; V567-M571 WeakPolarHBondContact O-CG 3.47Å; V567-M571 PolarHBondContact O-N 3.36Å; M569-M571 PolarHBondContact O-N 3.34Å
572	V	76.6	Confident	67.8	Low	80 Å²	80	74.9 Å²	74.9	49%	0.485	48%	0.48	S	S	.	.	H	α-helix	trans	-112.5	-21.5	-173.1	-171.3	0	0	0	0	112.5	H568	H568-V572 VanDerWaalsContact ND1-CG2 3.33Å; H568-V572 WeakPolarHBondContact ND1-CG2 3.42Å; H568-V572 WeakPolarHBondContact O-CA 3.45Å; H568-V572 VanDerWaalsContact O-CB 3.25Å; H568-V572 WeakPolarHBondContact O-CB 3.37Å; H568-V572 PolarHBondContact O-N 3.25Å
573	H	81.4	Confident	65.8	Low	36 Å²	36	79.8 Å²	79.8	17%	0.167	50%	0.499	C	S	.	.			trans	-129.1	45	178.4	-58.3	-62.9	0	0	0	113.2	L554 C555 H568 M569 L575 T576	L554-H573 HydrophobicContact CD1-CB 3.64Å; C555-H573 PolarHBondContact SG-NE2 2.76Å; H568-H573 AromaticContact CE1-CD2 3.81Å; H568-H573 AromaticContact CE1-NE2 3.62Å; H568-H573 AromaticContact NE2-CD2 3.72Å; H568-H573 AromaticContact NE2-NE2 3.58Å; M569-H573 CarbonylContact O-C 3.58Å; M569-H573 WeakPolarHBondContact O-CA 3.47Å; M569-H573 WeakPolarHBondContact O-CB 3.36Å; M569-H573 PolarHBondContact O-N 2.88Å; M569-H573 HydrophobicContact SD-CB 4.12Å; H573-L575 VanDerWaalsContact C-N 3.31Å; H573-L575 PolarHBondContact O-N 3.25Å; H573-T576 WeakPolarHBondContact CB-OG1 3.5Å; H573-T576 PolarHBondContact O-N 2.96Å; H573-T576 PolarHBondContact O-OG1 2.9Å
574	P	62.6	Low	63.6	Low	71 Å²	71	81.6 Å²	81.6	46%	0.461	51%	0.512	S	S	.	.	H	α-helix	trans	-60.4	-36.9	-174	23.7	-34.1	0	0	0	113.4	T576 L577 A578	P574-T576 VanDerWaalsContact C-N 3.29Å; P574-T576 PolarHBondContact O-N 3.23Å; P574-L577 PolarHBondContact O-N 2.96Å; P574-A578 PolarHBondContact O-N 2.7Å
575	L	63.8	Low	61.5	Low	155 Å²	155	85.2 Å²	85.2	81%	0.812	53%	0.531	S	S	*	.	H	α-helix	trans	-64.7	-30.2	-176.5	-61.1	176.6	0	0	0	113.2	H573	H573-L575 VanDerWaalsContact C-N 3.31Å; H573-L575 PolarHBondContact O-N 3.25Å
576	T	58.8	Low	59.2	Low	66 Å²	66	88.9 Å²	88.9	41%	0.405	56%	0.559	S	S	.	*	H	α-helix	trans	-80.1	-20.7	178.4	35.4	0	0	0	0	113.9	L554 H573 P574	L554-T576 HydrophobicContact CD1-CG2 3.98Å; L554-T576 VanDerWaalsContact CD1-OG1 3.24Å; L554-T576 WeakPolarHBondContact CD1-OG1 3.49Å; L554-T576 HydrophobicContact CD2-CG2 4.44Å; H573-T576 WeakPolarHBondContact CB-OG1 3.5Å; H573-T576 PolarHBondContact O-N 2.96Å; H573-T576 PolarHBondContact O-OG1 2.9Å; P574-T576 VanDerWaalsContact C-N 3.29Å; P574-T576 PolarHBondContact O-N 3.23Å
577	L	55.9	Low	57.1	Low	79 Å²	79	90.5 Å²	90.5	41%	0.414	58%	0.575	S	S	.	*	H	α-helix	trans	-75.4	-36.7	173	-74.3	166.8	0	0	0	111.4	M569 P574 A579 A580	M569-L577 HydrophobicContact CB-CD1 4.23Å; P574-L577 PolarHBondContact O-N 2.96Å; L577-A579 PolarHBondContact O-N 2.87Å; L577-A580 PolarHBondContact O-N 2.93Å; L577-A580 VanDerWaalsContact O-N 3.08Å
578	A	48.2	Very low	54.7	Low	86 Å²	86	92.9 Å²	92.9	71%	0.711	59%	0.594	S	S	*	*	H	α-helix	trans	-61	-31.7	175	0	0	0	0	0	113	P574 A580	P574-A578 PolarHBondContact O-N 2.7Å; A578-A580 VanDerWaalsContact C-N 3.31Å; A578-A580 PolarHBondContact O-N 3.43Å
579	A	43.7	Very low	52.5	Low	92 Å²	92	99.3 Å²	99.3	76%	0.76	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	-9.9	176.7	0	0	0	0	0	114.4	L577	L577-A579 PolarHBondContact O-N 2.87Å
580	A	45.7	Very low	50.5	Low	73 Å²	73	103.4 Å²	103.4	60%	0.603	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110	20.1	-177.5	0	0	0	0	0	113	L577 A578 G582	L577-A580 PolarHBondContact O-N 2.93Å; L577-A580 VanDerWaalsContact O-N 3.08Å; A578-A580 VanDerWaalsContact C-N 3.31Å; A578-A580 PolarHBondContact O-N 3.43Å; A580-G582 VanDerWaalsContact C-N 3.27Å; A580-G582 PolarHBondContact O-N 3.36Å
581	G	41.2	Very low	48.1	Very low	80 Å²	80	104.7 Å²	104.7	83%	0.825	67%	0.672	S	S	*	*			trans	-73.1	66.9	-177.6	0	0	0	0	0	114.4
582	G	38.9	Very low	46.5	Very low	61 Å²	61	105.3 Å²	105.3	63%	0.629	68%	0.677	S	S	*	*	S	Bend	trans	-168.7	93.7	176.2	0	0	0	0	0	113	A580	A580-G582 VanDerWaalsContact C-N 3.27Å; A580-G582 PolarHBondContact O-N 3.36Å
583	N	39.2	Very low	44.4	Very low	155 Å²	155	107 Å²	107	83%	0.829	69%	0.687	S	S	*	*			trans	40.2	112.8	169	-66.8	-6.6	0	0	0	118.9
584	I	35.8	Very low	42	Very low	170 Å²	170	112.8 Å²	112.8	87%	0.872	72%	0.72	S	S	*	*			trans	-142.6	129.5	136.6	-90.6	124.6	0	0	0	107.5
585	D	37.1	Very low	41.1	Very low	144 Å²	144	116.8 Å²	116.8	77%	0.77	74%	0.736	S	S	*	*			trans	-72.2	170.4	176.3	-87.2	-70.9	0	0	0	113.3
586	S	35.2	Very low	39.6	Very low	106 Å²	106	118.9 Å²	118.9	74%	0.741	74%	0.741	S	S	*	*			trans	-53.6	128.6	177.6	-62.3	0	0	0	0	111.9	S588	S586-S588 PolarHBondContact O-N 3.01Å
587	P	37.2	Very low	38.2	Very low	131 Å²	131	121.1 Å²	121.1	85%	0.851	76%	0.755	S	S	*	*			trans	-69.2	101.7	169.1	28.3	-32.4	0	0	0	109.1
588	S	32.9	Very low	37.3	Very low	107 Å²	107	125.1 Å²	125.1	75%	0.748	78%	0.775	S	S	*	*			trans	-66.5	148.2	171.5	48.8	0	0	0	0	110.8	S586 P590	S586-S588 PolarHBondContact O-N 3.01Å; S588-P590 VanDerWaalsContact O-CD 3.3Å; S588-P590 WeakPolarHBondContact O-CD 3.38Å
589	N	35.3	Very low	36.5	Very low	150 Å²	150	126.2 Å²	126.2	80%	0.802	77%	0.773	S	S	*	*			trans	-74.1	115	-173.8	-176	38.5	0	0	0	111.4	A591	N589-A591 PolarHBondContact O-N 3.01Å
590	P	36.5	Very low	36.1	Very low	119 Å²	119	129.5 Å²	129.5	77%	0.773	77%	0.773	S	S	*	*			trans	-81.6	99.1	177	32.3	-31	0	0	0	110.1	S588	S588-P590 VanDerWaalsContact O-CD 3.3Å; S588-P590 WeakPolarHBondContact O-CD 3.38Å
591	A	29.6	Very low	35.5	Very low	88 Å²	88	132.1 Å²	132.1	73%	0.727	78%	0.782	S	S	*	*			trans	-71.6	150.1	171.1	0	0	0	0	0	111.5	N589 T593	N589-A591 PolarHBondContact O-N 3.01Å; A591-T593 PolarHBondContact O-N 3.49Å
592	I	40.8	Very low	35	Very low	162 Å²	162	132 Å²	132	83%	0.831	78%	0.78	S	S	*	*			trans	-72.3	122.3	174	-59.5	160.9	0	0	0	109.1
593	T	33	Very low	34.8	Very low	115 Å²	115	133.6 Å²	133.6	71%	0.706	79%	0.787	S	S	*	*			trans	174	122	131.9	40.1	0	0	0	0	110.8	A591	A591-T593 PolarHBondContact O-N 3.49Å
594	N	30.3	Very low	34.6	Very low	159 Å²	159	134.5 Å²	134.5	85%	0.85	79%	0.791	S	S	*	*				-175.5	146.4	107.2	-93.7	-12.3	0	0	0	111.2
595	I	43.2	Very low	34.6	Very low	155 Å²	155	132.4 Å²	132.4	80%	0.795	78%	0.782	S	S	*	*			trans	-109.8	131.2	165.5	-65.1	164.2	0	0	0	104.9
596	E	32.2	Very low	35.7	Very low	199 Å²	199	130.7 Å²	130.7	93%	0.93	78%	0.778	S	S	*	*			trans	-148.5	140.5	150.7	-133.6	155.6	-137.4	0	0	111.8
597	T	31.3	Very low	35.7	Very low	113 Å²	113	134.8 Å²	134.8	69%	0.693	78%	0.779	S	S	*	*			trans	-94.6	152.1	-171.3	-43.8	0	0	0	0	109.5
598	I	35.8	Very low	35.6	Very low	163 Å²	163	133.2 Å²	133.2	84%	0.836	77%	0.771	S	S	*	*			trans	-169.1	154.4	132.5	-100.4	152	0	0	0	111.7
599	T	30.8	Very low	36.3	Very low	108 Å²	108	137.8 Å²	137.8	66%	0.663	80%	0.803	S	S	*	*			trans	-70.5	175.7	-176.8	51.6	0	0	0	0	113
600	E	36	Very low	36.4	Very low	162 Å²	162	137.2 Å²	137.2	76%	0.757	80%	0.803	S	S	*	*			cis	-161.6	-176.8	-0.6	-127.2	164.7	-71.1	0	0	107.4
601	T	33.4	Very low	36.4	Very low	128 Å²	128	138.2 Å²	138.2	79%	0.785	81%	0.805	S	S	*	*			cis	-143.6	-171.8	5.3	29.1	0	0	0	0	107.6
602	G	31.2	Very low	36.7	Very low	76 Å²	76	140.9 Å²	140.9	78%	0.784	81%	0.809	S	S	*	*			trans	142.8	65.3	152.8	0	0	0	0	0	118.2
603	A	33.1	Very low	36.5	Very low	95 Å²	95	139.7 Å²	139.7	79%	0.785	81%	0.808	S	S	*	*			trans	-45.6	143	-176.7	0	0	0	0	0	118
604	L	36.8	Very low	36.7	Very low	175 Å²	175	141.3 Å²	141.3	92%	0.916	81%	0.814	S	S	*	*				-165.7	149.4	104.2	-99.2	169.3	0	0	0	113.3
605	N	35	Very low	37.1	Very low	126 Å²	126	140.1 Å²	140.1	67%	0.674	81%	0.812	S	S	*	*			trans	-120.4	-175.7	176.6	-130.6	-11.7	0	0	0	107
606	P	59.8	Low	36.7	Very low	107 Å²	107	139 Å²	139	70%	0.695	81%	0.813	S	S	*	*			cis	-138.9	169.7	16.9	41	-20.8	0	0	0	118
607	Y	35.5	Very low	37.1	Very low	193 Å²	193	134.4 Å²	134.4	76%	0.757	80%	0.804	S	S	*	*			trans	20.5	120.2	138.1	-67.7	-104	0	0	0	118.6
608	S	35.9	Very low	37.5	Very low	98 Å²	98	136.2 Å²	136.2	69%	0.685	81%	0.813	S	S	*	*			cis	97.4	132.2	43.5	73.1	0	0	0	0	114.7
609	S	47.4	Very low	37.7	Very low	203 Å²	203	133.7 Å²	133.7	100%	1.42	81%	0.811	S	S	*	*			trans	-160.3	0	145.8	-74.2	0	0	0	0	108.8

Retrieved 609 of 609 residues in 160 ms (Link to these results)

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