A0A087XFL4_POEFO Loading...

Cyclic GMP-AMP synthase

AlphaFold DB , UniProt , Accession A0A087XFL4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 515 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	33.3	Very low	32.4	Very low	236 Å²	236	165.5 Å²	165.5	100%	1.163	83%	0.826	S	S	*	*				0	121.2	0	-58.9	177.6	-171.3	0	0	105.9
2	S	31.7	Very low	32.5	Very low	114 Å²	114	160.8 Å²	160.8	80%	0.797	82%	0.82	S	S	*	*				61	119.3	71.8	-170.4	0	0	0	0	111.3
3	C	27.7	Very low	33.7	Very low	110 Å²	110	156 Å²	156	74%	0.743	81%	0.807	S	S	*	*			cis	-169.8	169.6	-10.7	-129.1	0	0	0	0	110.1
4	R	32.7	Very low	33.6	Very low	220 Å²	220	155.1 Å²	155.1	83%	0.83	80%	0.804	S	S	*	*			trans	69.2	154.1	155.7	-74.7	-169.5	157.7	132.5	2.4	119.3
5	E	33.9	Very low	33.6	Very low	147 Å²	147	150.3 Å²	150.3	69%	0.687	79%	0.789	S	S	*	*			cis	-168.3	176.1	-28.4	-124.5	-176.3	117.2	0	0	110.6
6	K	34.6	Very low	33.4	Very low	193 Å²	193	148.1 Å²	148.1	84%	0.839	78%	0.784	S	S	*	*			trans	71	112.4	175.1	-52.8	173.3	-174.9	175.3	0	115.1
7	S	32.4	Very low	33.4	Very low	105 Å²	105	149.3 Å²	149.3	73%	0.734	78%	0.784	S	S	*	*			cis	73.7	113.8	7.1	-167.1	0	0	0	0	119
8	R	34.3	Very low	33	Very low	222 Å²	222	147.2 Å²	147.2	84%	0.838	78%	0.782	S	S	*	*			trans	-177.7	118.4	131.6	-93.9	159.9	-169.3	-152.6	0.2	107.6
9	Q	34.3	Very low	32.9	Very low	174 Å²	174	144.8 Å²	144.8	81%	0.813	78%	0.778	S	S	*	*				59.5	141.2	87.2	-72.7	-178.2	-26.1	0	0	114.4
10	A	32.1	Very low	32.7	Very low	87 Å²	87	144.4 Å²	144.4	72%	0.719	78%	0.776	S	S	*	*			cis	151.8	137.2	-19.8	0	0	0	0	0	107.1
11	K	29.2	Very low	32.6	Very low	213 Å²	213	141.6 Å²	141.6	93%	0.926	77%	0.768	S	S	*	*			trans	-179.4	128	153.2	-105.7	162.8	-176.1	-174.4	0	113.3
12	S	33.7	Very low	32.6	Very low	108 Å²	108	141.4 Å²	141.4	76%	0.755	75%	0.754	S	S	*	*			trans	-96.3	176.9	138.1	-145.8	0	0	0	0	106.6
13	P	47.8	Very low	32.5	Very low	99 Å²	99	145.3 Å²	145.3	64%	0.643	76%	0.757	S	S	*	*				-152.6	-174.4	58.8	41.8	-19.6	0	0	0	116.6
14	D	32.3	Very low	32.7	Very low	144 Å²	144	146.4 Å²	146.4	77%	0.77	75%	0.751	S	S	*	*			trans	70	149.8	139.5	-77.9	-31.7	0	0	0	122.2
15	S	33.3	Very low	32.7	Very low	83 Å²	83	143.6 Å²	143.6	58%	0.58	75%	0.745	S	S	*	*			cis	-162.5	168.5	-7.2	52.1	0	0	0	0	113.5
16	T	31.4	Very low	32.6	Very low	114 Å²	114	146.3 Å²	146.3	70%	0.699	75%	0.749	S	S	*	*			trans	67.3	147.7	149.7	42.4	0	0	0	0	119.2
17	Q	32.3	Very low	32.5	Very low	169 Å²	169	144.4 Å²	144.4	79%	0.79	74%	0.743	S	S	*	*			cis	-150.8	164.7	3.9	-138.4	157.8	5	0	0	113.8
18	C	26.9	Very low	32.5	Very low	111 Å²	111	144.5 Å²	144.5	75%	0.75	74%	0.739	S	S	*	*			trans	-5.4	156.2	152.9	-67.2	0	0	0	0	121.2
19	S	31.2	Very low	32.5	Very low	102 Å²	102	141.9 Å²	141.9	71%	0.713	74%	0.74	S	S	*	*			cis	-174.6	-164.1	-3.9	49.9	0	0	0	0	108.7
20	D	29.3	Very low	32.2	Very low	137 Å²	137	137.2 Å²	137.2	73%	0.733	74%	0.738	S	S	*	*			cis	-158.1	-159	7.5	-155.5	-110.5	0	0	0	113.1
21	S	30.3	Very low	32.2	Very low	86 Å²	86	144.1 Å²	144.1	60%	0.601	75%	0.746	S	S	*	*			trans	-5.9	130.1	164.2	-69.9	0	0	0	0	120.3
22	R	32.6	Very low	32.4	Very low	232 Å²	232	143.1 Å²	143.1	88%	0.875	74%	0.741	S	S	*	*				71.2	98.4	53.4	-69.1	-177.9	164.2	-172	-2.7	115.9
23	K	30.4	Very low	32.2	Very low	195 Å²	195	146.2 Å²	146.2	85%	0.848	74%	0.741	S	S	*	*				162.6	164.8	121.5	-90.7	170.1	177.8	177.8	0	109.8
24	E	32	Very low	31.6	Very low	133 Å²	133	150.3 Å²	150.3	62%	0.621	75%	0.749	S	S	*	*			cis	165.5	133.2	-34.9	-169.9	-167	165.1	0	0	106.1
25	K	32.7	Very low	31.4	Very low	162 Å²	162	151.4 Å²	151.4	70%	0.704	75%	0.749	S	S	*	*			trans	82	144.7	152.5	-102.6	169.7	-170	139.9	0	123.3
26	R	31.3	Very low	31.4	Very low	204 Å²	204	154.8 Å²	154.8	77%	0.77	76%	0.761	S	S	*	*			trans	78.1	130.6	158	-67.8	-164.4	158.3	145.6	-2.3	118.1
27	E	33	Very low	32.2	Very low	152 Å²	152	154.1 Å²	154.1	71%	0.71	76%	0.758	S	S	*	*				74.7	134.8	51.9	-67.6	-178.4	136.2	0	0	111.9
28	T	31.8	Very low	32.1	Very low	107 Å²	107	153.8 Å²	153.8	66%	0.656	76%	0.761	S	S	*	*			cis	-163.5	160.8	15.7	0.8	0	0	0	0	112.8
29	I	33.8	Very low	32.3	Very low	168 Å²	168	157.5 Å²	157.5	86%	0.862	77%	0.765	S	S	*	*			trans	51.9	130.1	145.3	-65.6	156.4	0	0	0	121.6
30	G	28.6	Very low	32.9	Very low	75 Å²	75	158.6 Å²	158.6	77%	0.773	77%	0.769	S	S	*	*			trans	-166.7	142.2	156.7	0	0	0	0	0	111.8
31	R	32.4	Very low	33.1	Very low	232 Å²	232	158.7 Å²	158.7	88%	0.875	77%	0.77	S	S	*	*			trans	-158.8	149.3	-170.1	-159.7	-179.8	-177	-172.3	3.1	114.6
32	K	33.3	Very low	33.1	Very low	193 Å²	193	164 Å²	164	84%	0.839	79%	0.785	S	S	*	*			trans	78.4	159.3	178.4	-51.3	177.8	-178.6	175.1	0	113.4
33	K	28.8	Very low	33.1	Very low	173 Å²	173	156.9 Å²	156.9	75%	0.752	78%	0.776	S	S	*	*			cis	-143.2	172.5	11.5	-156.8	-166.1	174.7	-140.6	0	111.2	E35	K33-E35 IonicContact NZ-OE1 2.7Å; K33-E35 PolarHBondContact NZ-OE1 2.72Å
34	K	35.3	Very low	33.1	Very low	185 Å²	185	155.8 Å²	155.8	80%	0.804	77%	0.771	S	S	*	*			trans	-79.3	159.6	170.9	-58	179	175.4	-174.9	0	111.7
35	E	29.5	Very low	32.8	Very low	166 Å²	166	156.6 Å²	156.6	78%	0.776	78%	0.775	S	S	*	*				-170.6	164.1	120.3	-100.6	141.5	-136	0	0	112.9	K33	K33-E35 IonicContact NZ-OE1 2.7Å; K33-E35 PolarHBondContact NZ-OE1 2.72Å
36	D	32.2	Very low	32.5	Very low	154 Å²	154	157.9 Å²	157.9	82%	0.824	78%	0.78	S	S	*	*			trans	-149.7	158.2	-177.9	-133.3	-19.9	0	0	0	103.6
37	P	49.3	Very low	33.7	Very low	100 Å²	100	153.4 Å²	153.4	65%	0.649	78%	0.778	S	S	*	*			cis	-149.4	-155.4	29.1	33.2	-5.2	0	0	0	115.5
38	L	28.9	Very low	34.6	Very low	163 Å²	163	151.2 Å²	151.2	85%	0.853	78%	0.777	S	S	*	*			trans	105.9	144.7	154.1	-62	163.3	0	0	0	120
39	K	32.7	Very low	34.6	Very low	188 Å²	188	152.2 Å²	152.2	82%	0.817	78%	0.783	S	S	*	*			trans	-116.2	165.9	166.7	-60.7	-179.4	177	-179.1	0	108.7
40	P	43.5	Very low	34.5	Very low	125 Å²	125	152.1 Å²	152.1	81%	0.812	78%	0.776	S	S	*	*				-149.2	176.6	99.2	38.3	-20.9	0	0	0	117
41	N	32	Very low	34.4	Very low	140 Å²	140	154.6 Å²	154.6	75%	0.749	77%	0.767	S	S	*	*			trans	-62.4	167	-173.1	-41.9	-47.6	0	0	0	117.2
42	H	30.9	Very low	34.1	Very low	197 Å²	197	148 Å²	148	91%	0.912	75%	0.753	S	S	*	*				-149.2	163.4	129.1	-114.5	-82.4	0	0	0	111.4
43	A	31.9	Very low	33.8	Very low	83 Å²	83	144.1 Å²	144.1	69%	0.686	75%	0.746	S	S	*	*			trans	-157.1	166.2	-169.5	0	0	0	0	0	113.2
44	K	30.5	Very low	33.8	Very low	172 Å²	172	144.6 Å²	144.6	75%	0.748	75%	0.748	S	S	*	*			trans	150.6	157.6	163.4	-89.2	161.7	160.1	-85.9	0	109.3
45	E	27.1	Very low	33.4	Very low	150 Å²	150	141.9 Å²	141.9	70%	0.701	74%	0.738	S	S	*	*			cis	-145.4	-167.3	3.7	-151.6	103.5	-128.5	0	0	111.8
46	K	26.5	Very low	33.4	Very low	188 Å²	188	142.4 Å²	142.4	82%	0.817	74%	0.737	S	S	*	*			trans	-157.5	-175.1	-171.8	-109.6	-172.8	179.5	-178.2	0	108.1
47	P	56.8	Low	33	Very low	111 Å²	111	138.5 Å²	138.5	72%	0.721	73%	0.734	S	S	*	*			cis	-118.8	-134	-42.9	33	-10.2	0	0	0	108.4
48	P	51.2	Low	32	Very low	105 Å²	105	142.8 Å²	142.8	68%	0.682	74%	0.742	S	S	*	*			cis	-143.5	169.8	43.7	43.3	-22.8	0	0	0	118.3
49	V	31.4	Very low	32	Very low	129 Å²	129	141.5 Å²	141.5	78%	0.782	73%	0.731	S	S	*	*			trans	56.6	124.5	139.6	165.8	0	0	0	0	118.1
50	K	32.5	Very low	31.8	Very low	166 Å²	166	138.9 Å²	138.9	72%	0.722	73%	0.726	S	S	*	*			cis	-163	-130.1	7.6	-134.6	-156.2	-173.1	-172.5	0	112.6
51	E	25.9	Very low	30.9	Very low	126 Å²	126	138.4 Å²	138.4	59%	0.589	72%	0.721	S	S	*	*			cis	-142.6	-106.7	7.4	-129.7	-58.9	99.7	0	0	115.4
52	T	27.2	Very low	30.6	Very low	94 Å²	94	142.7 Å²	142.7	58%	0.577	73%	0.726	S	S	*	*			trans	-146.6	163.9	-156.3	47	0	0	0	0	114.7
53	T	26.7	Very low	30.3	Very low	112 Å²	112	140.8 Å²	140.8	69%	0.687	72%	0.718	S	S	*	*			cis	-162.6	150.2	-25.2	24.9	0	0	0	0	111.5
54	K	27.5	Very low	30.1	Very low	182 Å²	182	144 Å²	144	79%	0.791	72%	0.719	S	S	*	*			trans	67	163.9	152	-75.1	177.6	-179.4	-178	0	117.4
55	E	28.2	Very low	30	Very low	128 Å²	128	140.4 Å²	140.4	60%	0.598	72%	0.715	S	S	*	*			cis	-151.3	161.3	2.1	-133.3	-175.4	-166.4	0	0	115.1
56	K	27.8	Very low	30	Very low	177 Å²	177	143.5 Å²	143.5	77%	0.77	72%	0.72	S	S	*	*			trans	34.7	139.5	150.2	-74.8	165.2	-163.3	147.3	0	124.4
57	G	25.3	Very low	30	Very low	72 Å²	72	142.3 Å²	142.3	74%	0.742	72%	0.717	S	S	*	*			trans	128.7	110.6	153.1	0	0	0	0	0	112.8
58	K	28.7	Very low	28.6	Very low	190 Å²	190	144.9 Å²	144.9	83%	0.826	72%	0.72	S	S	*	*			cis	60.7	135.2	47.5	-68.6	-166.4	169.8	-161.3	0	113.1
59	H	27.9	Very low	27.5	Very low	136 Å²	136	148.3 Å²	148.3	63%	0.63	73%	0.727	S	S	*	*			cis	-162.2	163	14.7	-141.6	-47.5	0	0	0	113.6
60	L	27.9	Very low	27.6	Very low	133 Å²	133	148.2 Å²	148.2	70%	0.696	73%	0.726	S	S	*	*			trans	71.8	138.6	159.6	-55.8	174.1	0	0	0	117.3
61	T	25.2	Very low	27.8	Very low	116 Å²	116	146 Å²	146	71%	0.712	73%	0.729	S	S	*	*			cis	79.1	95.1	9.1	84.3	0	0	0	0	119.5
62	R	24.7	Very low	29.1	Very low	230 Å²	230	145.4 Å²	145.4	87%	0.868	74%	0.736	S	S	*	*				-174.1	136.3	122.6	-96.6	167.3	71.5	168	2.6	107.8
63	E	25.6	Very low	29	Very low	157 Å²	157	149.6 Å²	149.6	73%	0.734	75%	0.749	S	S	*	*			cis	90.6	137.8	24.2	-157.9	-172.1	-121.3	0	0	115
64	H	28.5	Very low	29.3	Very low	151 Å²	151	153.2 Å²	153.2	70%	0.699	76%	0.755	S	S	*	*			trans	80.8	104	169.6	-81.7	-62.1	0	0	0	122.8
65	S	26.4	Very low	29.3	Very low	95 Å²	95	151.1 Å²	151.1	66%	0.664	76%	0.758	S	S	*	*				60	115	117.2	-58	0	0	0	0	122.4
66	R	27.2	Very low	29.4	Very low	216 Å²	216	154.4 Å²	154.4	82%	0.815	77%	0.77	S	S	*	*				-173.7	135.1	95.6	-94.4	-177.4	164.9	158.6	-3	108.4
67	E	26.8	Very low	29.3	Very low	163 Å²	163	151.7 Å²	151.7	76%	0.762	77%	0.768	S	S	*	*				55.8	99.4	67.8	-68.9	-166.2	114.9	0	0	115.2
68	Q	28.7	Very low	29.3	Very low	165 Å²	165	156 Å²	156	77%	0.771	77%	0.769	S	S	*	*				-169.8	111.6	122.2	-99.2	157.5	18.9	0	0	108.4
69	Q	27.1	Very low	29.1	Very low	177 Å²	177	153.1 Å²	153.1	83%	0.827	76%	0.762	S	S	*	*				81.1	92.1	95.1	-76.2	179.5	2.9	0	0	114.6
70	T	33.9	Very low	29	Very low	126 Å²	126	155.1 Å²	155.1	77%	0.773	77%	0.771	S	S	*	*				-63.4	164.6	128	49	0	0	0	0	108.4
71	P	36.3	Very low	28.9	Very low	120 Å²	120	153.8 Å²	153.8	78%	0.779	77%	0.773	S	S	*	*			cis	-142.2	-130.2	42.1	35.2	-6.9	0	0	0	114.7
72	P	53.4	Low	29.1	Very low	113 Å²	113	154 Å²	154	73%	0.734	78%	0.779	S	S	*	*				-126.3	-169.5	-121.2	41.2	-21.9	0	0	0	113.2
73	E	25.3	Very low	29.2	Very low	183 Å²	183	153.4 Å²	153.4	86%	0.855	78%	0.777	S	S	*	*			trans	-149.4	162.3	130.3	-127.2	176.6	178.7	0	0	114.3
74	K	32.2	Very low	29.3	Very low	188 Å²	188	151.5 Å²	151.5	82%	0.817	78%	0.781	S	S	*	*			trans	-126.7	148.1	169.3	-61.1	169.1	-177.2	167	0	106.2
75	T	27.3	Very low	29.1	Very low	137 Å²	137	149 Å²	149	84%	0.84	78%	0.776	S	S	*	*			trans	-128.2	135.4	161.1	-37	0	0	0	0	109.3
76	K	31.7	Very low	29	Very low	197 Å²	197	150 Å²	150	86%	0.857	78%	0.783	S	S	*	*			trans	-150.2	97.3	-168	-175.6	-160.4	179.6	-167.4	0	110.7
77	T	24.6	Very low	29	Very low	120 Å²	120	145.3 Å²	145.3	74%	0.736	78%	0.778	S	S	*	*			trans	-151.6	120.5	168.6	12	0	0	0	0	106.2
78	Q	26.3	Very low	28.9	Very low	163 Å²	163	147.3 Å²	147.3	76%	0.762	79%	0.785	S	S	*	*			cis	93.5	137.3	33.9	-160.7	-162.7	0.6	0	0	112.3
79	I	24.9	Very low	28.7	Very low	130 Å²	130	148.8 Å²	148.8	67%	0.667	79%	0.788	S	S	*	*			trans	71.3	109.7	176.3	-41.2	-173.9	0	0	0	112.9
80	H	25	Very low	30	Very low	177 Å²	177	144.6 Å²	144.6	82%	0.819	78%	0.777	S	S	*	*				-150.9	150	83.3	-106.5	-87.7	0	0	0	114.8
81	S	25.8	Very low	30.2	Very low	106 Å²	106	144.4 Å²	144.4	74%	0.741	78%	0.778	S	S	*	*			trans	-100	138.5	167.5	178.7	0	0	0	0	109.8
82	S	29	Very low	29.7	Very low	121 Å²	121	145.8 Å²	145.8	85%	0.846	78%	0.778	S	S	*	*			trans	-141.5	136.1	167.4	-77.2	0	0	0	0	109.8
83	R	27.4	Very low	28.4	Very low	217 Å²	217	148.6 Å²	148.6	82%	0.819	78%	0.781	S	S	*	*			trans	-131.1	119	-169.4	172.7	-171.8	176.6	-172.8	0.9	110.9	T85	R83-T85 HydrophobicContact CG-CG2 3.97Å
84	S	27.1	Very low	28.7	Very low	116 Å²	116	148.4 Å²	148.4	81%	0.811	77%	0.772	S	S	*	*			trans	-157.2	111.3	164.8	45.6	0	0	0	0	106.9
85	T	24.4	Very low	28.4	Very low	99 Å²	99	144.7 Å²	144.7	61%	0.607	76%	0.761	S	S	*	*			cis	64.2	79.3	32.1	73.7	0	0	0	0	116.1	R83	R83-T85 HydrophobicContact CG-CG2 3.97Å
86	S	25.3	Very low	28.5	Very low	116 Å²	116	145 Å²	145	81%	0.811	76%	0.757	S	S	*	*			trans	-148.2	106.5	137	-165.8	0	0	0	0	106.4
87	V	25.6	Very low	28.2	Very low	117 Å²	117	143.2 Å²	143.2	71%	0.709	75%	0.751	S	S	*	*				73.6	82.1	52	-170.6	0	0	0	0	113.2
88	K	25.2	Very low	28.5	Very low	206 Å²	206	142.2 Å²	142.2	90%	0.896	75%	0.75	S	S	*	*				-169.7	155.6	118.1	-100.6	166.3	-173	-178.4	0	112.3
89	K	26.1	Very low	28.7	Very low	195 Å²	195	142.8 Å²	142.8	85%	0.848	75%	0.752	S	S	*	*			trans	-159.3	178.3	179.8	-149.5	-172.2	-177.5	-176.2	0	108
90	P	52.9	Low	28.7	Very low	90 Å²	90	141 Å²	141	58%	0.584	76%	0.757	S	S	*	*				-82.6	-167.9	-106	42.4	-28	0	0	0	113.8	L92	P90-L92 HydrophobicContact CG-CD1 4.35Å; P90-L92 HydrophobicContact CG-CG 4.26Å
91	P	38.7	Very low	28.8	Very low	122 Å²	122	139.3 Å²	139.3	79%	0.792	76%	0.759	S	S	*	*				-123.9	160	84.4	5.5	17.1	0	0	0	112.2
92	L	26.1	Very low	28.8	Very low	149 Å²	149	139.6 Å²	139.6	78%	0.78	76%	0.757	S	S	*	*			cis	84.9	90.3	33.4	-74.1	173.2	0	0	0	116.6	P90	P90-L92 HydrophobicContact CG-CD1 4.35Å; P90-L92 HydrophobicContact CG-CG 4.26Å
93	H	26.1	Very low	28.6	Very low	171 Å²	171	141.7 Å²	141.7	79%	0.792	76%	0.755	S	S	*	*			trans	-178.5	160.1	137.6	-114.5	-133.9	0	0	0	108
94	R	30.5	Very low	28.6	Very low	180 Å²	180	141.5 Å²	141.5	68%	0.679	75%	0.754	S	S	*	*			cis	178	133.6	-35.5	-108.4	-171.4	82.5	178.4	-0.4	104.9
95	D	26.5	Very low	28.7	Very low	110 Å²	110	140 Å²	140	59%	0.588	74%	0.743	S	S	*	*			trans	62.4	154.2	141.8	-50.5	-4.6	0	0	0	124.2
96	L	28.8	Very low	29.1	Very low	143 Å²	143	141.3 Å²	141.3	75%	0.749	74%	0.743	S	S	*	*			trans	90.9	107.6	154.1	-106.4	66.7	0	0	0	122
97	E	25.9	Very low	29.1	Very low	159 Å²	159	142.3 Å²	142.3	74%	0.743	74%	0.744	S	S	*	*				29.3	140.5	122.2	-52.4	-178	112.7	0	0	119.2
98	S	30.8	Very low	29.2	Very low	100 Å²	100	141.5 Å²	141.5	70%	0.699	75%	0.75	S	S	*	*				-169.5	158.3	63.8	-62.6	0	0	0	0	115.3
99	Q	29.8	Very low	29.4	Very low	175 Å²	175	141.5 Å²	141.5	82%	0.818	75%	0.75	S	S	*	*			trans	25.6	121.8	137.9	-55.5	176.3	20.5	0	0	118.9
100	A	26	Very low	29.4	Very low	93 Å²	93	136.8 Å²	136.8	77%	0.769	75%	0.747	S	S	*	*				89.4	110.9	51.9	0	0	0	0	0	115.4
101	T	27	Very low	28.1	Very low	140 Å²	140	137.7 Å²	137.7	86%	0.859	76%	0.756	S	S	*	*			trans	-159.8	173.9	161.9	44.6	0	0	0	0	110
102	T	25.8	Very low	27.7	Very low	112 Å²	112	138.8 Å²	138.8	69%	0.687	75%	0.754	S	S	*	*				179.7	146.9	-72.6	-82	0	0	0	0	109
103	M	25.4	Very low	27.8	Very low	166 Å²	166	139.9 Å²	139.9	82%	0.818	75%	0.753	S	S	*	*			trans	74.7	140.1	-171.8	-48.9	-52.2	-174.6	0	0	114.4
104	R	26.8	Very low	27.8	Very low	213 Å²	213	137.4 Å²	137.4	80%	0.804	75%	0.75	S	S	*	*			cis	70.3	150.7	24.9	-123.8	-161.8	171.1	168.6	0.9	111.9	E106	R104-E106 IonicContact NE-OE2 2.72Å
105	S	29.9	Very low	27.5	Very low	83 Å²	83	135 Å²	135	58%	0.58	76%	0.755	S	S	*	*			cis	-144.3	-167.5	-0.1	-72.2	0	0	0	0	108
106	E	31.4	Very low	27.6	Very low	127 Å²	127	138.6 Å²	138.6	59%	0.593	77%	0.765	S	S	*	*			cis	-160.6	170.8	-10.1	-142	50.8	-89.7	0	0	108.2	R104	R104-E106 IonicContact NE-OE2 2.72Å
107	T	26.1	Very low	27.9	Very low	137 Å²	137	137.9 Å²	137.9	84%	0.84	77%	0.77	S	S	*	*			trans	67.5	156.9	156.7	43.4	0	0	0	0	119.9
108	A	28.3	Very low	28	Very low	100 Å²	100	139.6 Å²	139.6	83%	0.826	78%	0.775	S	S	*	*			cis	-127.1	178.7	12.5	0	0	0	0	0	115.2
109	K	27.5	Very low	28	Very low	206 Å²	206	139.4 Å²	139.4	90%	0.896	78%	0.779	S	S	*	*			trans	-126.8	172.7	-169.6	-88.7	-176.7	175.7	176.9	0	112.9
110	A	26.1	Very low	27.8	Very low	96 Å²	96	134.8 Å²	134.8	79%	0.793	78%	0.778	S	S	*	*			trans	79.6	131.4	168.4	0	0	0	0	0	115.9
111	S	26.8	Very low	27.8	Very low	110 Å²	110	133.9 Å²	133.9	77%	0.769	78%	0.778	S	S	*	*			cis	101.7	137.5	5	-157.7	0	0	0	0	117.9
112	L	30.5	Very low	27.8	Very low	144 Å²	144	135.4 Å²	135.4	75%	0.754	77%	0.773	S	S	*	*			trans	94.2	109	166.1	-57.6	175.9	0	0	0	121.3
113	K	27.4	Very low	27.8	Very low	173 Å²	173	137.3 Å²	137.3	75%	0.752	77%	0.774	S	S	*	*				78.5	108.3	124.5	-74.5	-173.7	174.6	-177	0	123.9
114	T	26.5	Very low	28	Very low	119 Å²	119	138.1 Å²	138.1	73%	0.73	78%	0.776	S	S	*	*				81.9	137	123.2	53.4	0	0	0	0	124.9
115	T	25.3	Very low	27.9	Very low	128 Å²	128	134.6 Å²	134.6	79%	0.785	78%	0.778	S	S	*	*			trans	78.5	101.5	146.1	37.8	0	0	0	0	123.4
116	K	27.7	Very low	27.9	Very low	186 Å²	186	138.6 Å²	138.6	81%	0.809	79%	0.792	S	S	*	*				45.5	140.3	124.9	-110.7	176.8	-176.5	171.5	0	121.2
117	P	35.1	Very low	27.6	Very low	129 Å²	129	138.9 Å²	138.9	84%	0.838	80%	0.803	S	S	*	*				-138.1	-169.5	87.3	39.1	-26.3	0	0	0	116.8
118	K	28.8	Very low	27.7	Very low	195 Å²	195	142.8 Å²	142.8	85%	0.848	80%	0.802	S	S	*	*			trans	-93.5	177.2	177.2	-113.7	-177.3	176.6	-172.9	0	109.7
119	A	30.8	Very low	27.4	Very low	96 Å²	96	142.3 Å²	142.3	79%	0.793	79%	0.792	S	S	*	*			cis	-162.7	176	2.2	0	0	0	0	0	108
120	G	25.1	Very low	27.3	Very low	77 Å²	77	139.5 Å²	139.5	79%	0.794	79%	0.792	S	S	*	*			cis	160	-178.9	-6.4	0	0	0	0	0	113.3
121	G	25.5	Very low	27.3	Very low	75 Å²	75	144.7 Å²	144.7	77%	0.773	80%	0.797	S	S	*	*			trans	91.7	145.9	178.1	0	0	0	0	0	113.9
122	K	26.8	Very low	27.3	Very low	172 Å²	172	144.7 Å²	144.7	75%	0.748	80%	0.803	S	S	*	*			cis	-159.9	156.9	-1	-100.2	-166.2	177.9	-73.9	0	107.2
123	E	26.1	Very low	27	Very low	152 Å²	152	143.1 Å²	143.1	71%	0.71	81%	0.811	S	S	*	*			cis	-163	-172.1	-13.2	-159.3	138	-101.2	0	0	108.5
124	E	30.3	Very low	26.9	Very low	183 Å²	183	138.7 Å²	138.7	86%	0.855	82%	0.815	S	S	*	*			trans	-135.5	157.9	176.9	-61.8	178.2	113.4	0	0	111.5
125	T	23.8	Very low	26.9	Very low	139 Å²	139	142.8 Å²	142.8	85%	0.853	82%	0.822	S	S	*	*			trans	-147.9	139.7	149.6	-34.8	0	0	0	0	112.7
126	L	30.8	Very low	27	Very low	166 Å²	166	144.2 Å²	144.2	87%	0.869	82%	0.822	S	S	*	*			trans	-142.5	128.8	175.3	170.3	81.2	0	0	0	108.9
127	T	24.7	Very low	26.9	Very low	134 Å²	134	143.8 Å²	143.8	82%	0.822	82%	0.823	S	S	*	*			trans	-152.9	172.2	169.7	-0.7	0	0	0	0	114
128	R	27.1	Very low	26.5	Very low	218 Å²	218	141.4 Å²	141.4	82%	0.823	82%	0.822	S	S	*	*			trans	-149.6	149.5	-151.8	-167.8	-161.5	70.7	179.5	0.1	113.2
129	C	22	Very low	26.5	Very low	91 Å²	91	136.6 Å²	136.6	62%	0.615	82%	0.818	S	S	*	*			trans	69.9	138.2	162	-75.6	0	0	0	0	119.9
130	T	25.6	Very low	26.3	Very low	146 Å²	146	140.7 Å²	140.7	90%	0.896	82%	0.821	S	S	*	*				-173.4	179.8	107.8	24.7	0	0	0	0	111.6
131	K	27.1	Very low	26.6	Very low	206 Å²	206	144.3 Å²	144.3	90%	0.896	82%	0.821	S	S	*	*			trans	-114.1	153.9	176.7	-62.1	175.8	175	180	0	110.1
132	A	26.8	Very low	26.7	Very low	109 Å²	109	149.2 Å²	149.2	90%	0.901	82%	0.824	S	S	*	*				160.9	164	122.7	0	0	0	0	0	113.9
133	A	24.6	Very low	26.6	Very low	111 Å²	111	147.7 Å²	147.7	92%	0.917	82%	0.82	S	S	*	*			trans	-73.2	165.1	-162.8	0	0	0	0	0	118.8
134	G	24	Very low	26.7	Very low	81 Å²	81	148.7 Å²	148.7	84%	0.835	82%	0.822	S	S	*	*			trans	-163.1	148.7	168.2	0	0	0	0	0	111.3
135	K	27.1	Very low	26.5	Very low	205 Å²	205	149.1 Å²	149.1	89%	0.891	82%	0.821	S	S	*	*			trans	-114.3	172.2	-161.7	-118.7	-170.7	178.8	-169.8	0	114.3
136	M	27.1	Very low	26.9	Very low	158 Å²	158	149.6 Å²	149.6	78%	0.778	82%	0.817	S	S	*	*			trans	99.1	142.8	157.9	-53.3	-161.3	-61.4	0	0	117.7
137	E	26.6	Very low	26.7	Very low	177 Å²	177	149 Å²	149	83%	0.827	81%	0.814	S	S	*	*			cis	-163	154.2	-16.4	-117.5	-176.8	157.2	0	0	112.5
138	G	24.9	Very low	26.8	Very low	79 Å²	79	152.9 Å²	152.9	81%	0.814	81%	0.814	S	S	*	*			trans	66.9	161.2	158.3	0	0	0	0	0	120.5
139	A	29.8	Very low	27	Very low	93 Å²	93	148.8 Å²	148.8	77%	0.769	82%	0.815	S	S	*	*			cis	-165.1	156.2	-22	0	0	0	0	0	111.7
140	Q	26.9	Very low	27.2	Very low	183 Å²	183	150 Å²	150	86%	0.855	83%	0.825	S	S	*	*			trans	63.7	138.1	170.7	-65.3	173	-25.6	0	0	118
141	L	30.6	Very low	27.2	Very low	153 Å²	153	146.9 Å²	146.9	80%	0.801	82%	0.822	S	S	*	*			cis	88	114	20.7	-70.6	168.2	0	0	0	117.7
142	E	27.2	Very low	27.2	Very low	177 Å²	177	140.6 Å²	140.6	83%	0.827	82%	0.816	S	S	*	*				-172.7	169.5	111.3	-98.6	-67	98.2	0	0	110.6
143	E	26.4	Very low	27.2	Very low	141 Å²	141	145.6 Å²	145.6	66%	0.659	82%	0.817	S	S	*	*			trans	-128.5	175.5	-176.4	-62	-169.9	125.9	0	0	114.2
144	K	27.7	Very low	27.3	Very low	173 Å²	173	148 Å²	148	75%	0.752	81%	0.807	S	S	*	*			trans	76.6	159.2	160.5	-60.8	174	-178	82.9	0	114.9
145	K	26.2	Very low	27.5	Very low	191 Å²	191	150.9 Å²	150.9	83%	0.83	80%	0.799	S	S	*	*			cis	-145.3	176.4	13.1	-147.6	169.4	-177.9	-175.9	0	113.3
146	I	31.1	Very low	27.4	Very low	150 Å²	150	147.7 Å²	147.7	77%	0.769	80%	0.796	S	S	*	*			trans	-75.6	145.6	-179.6	-62.5	150.1	0	0	0	112.1
147	D	26.2	Very low	27.5	Very low	154 Å²	154	144.9 Å²	144.9	82%	0.824	80%	0.798	S	S	*	*				-161.7	168.8	125.9	-127	-45.4	0	0	0	116.3
148	R	27.2	Very low	27.6	Very low	214 Å²	214	141.4 Å²	141.4	81%	0.808	80%	0.8	S	S	*	*			trans	-82.9	173.9	177.4	-80.2	176.2	159.1	-179.8	-5.1	112.9
149	P	31	Very low	27.8	Very low	132 Å²	132	146.8 Å²	146.8	86%	0.857	80%	0.804	S	S	*	*				-130.2	169.4	112.1	38	-33.2	0	0	0	114.2
150	S	26.9	Very low	27.8	Very low	116 Å²	116	152.5 Å²	152.5	81%	0.811	81%	0.811	S	S	*	*			trans	-132.8	155.1	169.4	62.3	0	0	0	0	111
151	G	26.5	Very low	27.8	Very low	82 Å²	82	148.8 Å²	148.8	85%	0.845	81%	0.806	S	S	*	*			trans	158.9	126.9	176.5	0	0	0	0	0	111
152	G	25.8	Very low	27.5	Very low	74 Å²	74	147.5 Å²	147.5	76%	0.763	81%	0.808	S	S	*	*			trans	-152.8	-175.6	-178.4	0	0	0	0	0	111.8
153	K	27.2	Very low	27.5	Very low	214 Å²	214	146 Å²	146	93%	0.93	81%	0.806	S	S	*	*			trans	-151.5	121.6	173.6	-107.5	168.4	-175.4	178.2	0	113.7
154	K	27.8	Very low	27.6	Very low	160 Å²	160	145.5 Å²	145.5	70%	0.696	81%	0.813	S	S	*	*			trans	3.1	145.7	148.9	-89.5	169.9	143.9	-112.7	0	122.6
155	E	26.8	Very low	27.7	Very low	142 Å²	142	145.2 Å²	145.2	66%	0.664	81%	0.814	S	S	*	*			trans	72.2	151.3	136	-69.3	162.7	159.6	0	0	118.8
156	T	25.4	Very low	27.7	Very low	138 Å²	138	145 Å²	145	85%	0.847	82%	0.816	S	S	*	*			cis	-144.6	174	1.8	-12.9	0	0	0	0	111.1
157	A	30.1	Very low	27.9	Very low	99 Å²	99	142.4 Å²	142.4	82%	0.818	82%	0.816	S	S	*	*			trans	-95.7	154.4	175.5	0	0	0	0	0	113.6
158	A	27.3	Very low	28	Very low	104 Å²	104	141.1 Å²	141.1	86%	0.86	81%	0.81	S	S	*	*			trans	-158.6	138.5	159.2	0	0	0	0	0	110.9
159	E	29.1	Very low	28.5	Very low	192 Å²	192	139.3 Å²	139.3	90%	0.897	81%	0.807	S	S	*	*			trans	-92	154.1	170.7	-58.5	174.1	127.2	0	0	110.8
160	K	29.8	Very low	28.5	Very low	213 Å²	213	140.7 Å²	140.7	93%	0.926	81%	0.806	S	S	*	*			trans	-163.4	142.7	145	-117.3	167.5	-174.3	178	0	113.1
161	S	27.1	Very low	28.8	Very low	106 Å²	106	143.8 Å²	143.8	74%	0.741	81%	0.805	S	S	*	*			trans	-101.8	157.7	175.3	51.2	0	0	0	0	111.8
162	C	25.6	Very low	29	Very low	125 Å²	125	145.7 Å²	145.7	85%	0.845	80%	0.802	S	S	*	*			trans	-170.9	150.6	135.5	43.1	0	0	0	0	110
163	D	26.5	Very low	29.2	Very low	147 Å²	147	152.1 Å²	152.1	79%	0.786	81%	0.809	S	S	*	*			trans	-95.5	159.9	-173.2	-53.3	-91.6	0	0	0	112.5
164	T	28.5	Very low	29.5	Very low	130 Å²	130	149.6 Å²	149.6	80%	0.798	80%	0.802	S	S	*	*				163	122.4	116.7	-64.7	0	0	0	0	111.5
165	E	28.7	Very low	30.1	Very low	167 Å²	167	149.6 Å²	149.6	78%	0.78	81%	0.809	S	S	*	*			trans	6	133.6	156.1	-53.7	-173.6	-178.1	0	0	121.5
166	H	27	Very low	30.8	Very low	187 Å²	187	152 Å²	152	87%	0.866	82%	0.818	S	S	*	*				-156	166.8	95.4	-126.1	20.6	0	0	0	112.7
167	A	34.6	Very low	31.5	Very low	95 Å²	95	152 Å²	152	79%	0.785	82%	0.818	S	S	*	*			trans	-95.1	136.8	-165.5	0	0	0	0	0	114.3
168	D	29.4	Very low	32.2	Very low	127 Å²	127	156 Å²	156	68%	0.679	81%	0.812	S	S	*	*			trans	-149.8	170.4	157.2	-143.4	-15.6	0	0	0	114.2	I170	D168-I170 PolarHBondContact O-N 3.44Å
169	K	38.2	Very low	33.1	Very low	175 Å²	175	155.5 Å²	155.5	76%	0.761	80%	0.802	S	S	*	*			trans	-82.6	99.6	-153.4	-60.5	158	-157.8	83.6	0	113.9	K171	K169-K171 PolarHBondContact O-N 2.84Å; K169-K171 VanDerWaalsContact O-N 3.11Å
170	I	31.1	Very low	34	Very low	161 Å²	161	152.4 Å²	152.4	83%	0.826	80%	0.795	S	S	*	*			trans	-74.4	101.2	167	-58.8	-178.3	0	0	0	110.4	D168	D168-I170 PolarHBondContact O-N 3.44Å
171	K	31.6	Very low	35.4	Very low	182 Å²	182	146.2 Å²	146.2	79%	0.791	78%	0.779	S	S	*	*			trans	-68.3	127.7	160.6	-65.9	176.3	-178.9	174	0	108.6	K169 K173	K169-K171 PolarHBondContact O-N 2.84Å; K169-K171 VanDerWaalsContact O-N 3.11Å; K171-K173 PolarHBondContact O-N 3.14Å
172	P	30.8	Very low	37.1	Very low	121 Å²	121	141.9 Å²	141.9	79%	0.786	75%	0.751	S	S	*	*			trans	-66.4	102.8	173.4	26.2	-32.7	0	0	0	110	M174	P172-M174 PolarHBondContact O-N 3.29Å
173	K	30.2	Very low	39.6	Very low	209 Å²	209	138.5 Å²	138.5	91%	0.909	72%	0.724	S	S	*	*			trans	-71	99	-178.7	-165.9	175	-175.5	178.6	0	109	K171 L175	K171-K173 PolarHBondContact O-N 3.14Å; K173-L175 PolarHBondContact O-N 2.85Å
174	M	33.1	Very low	42.4	Very low	161 Å²	161	135 Å²	135	79%	0.793	71%	0.711	S	S	*	*			trans	-51.7	135.5	-170	-71.6	-177.2	71.6	0	0	113.8	P172 K176	P172-M174 PolarHBondContact O-N 3.29Å; M174-K176 PolarHBondContact O-N 3.26Å
175	L	41.6	Very low	45.5	Very low	161 Å²	161	129.2 Å²	129.2	84%	0.843	68%	0.676	S	S	*	*			trans	-55.1	122.6	166.6	-141	77.8	0	0	0	109.7	K173	K173-L175 PolarHBondContact O-N 2.85Å
176	K	42.1	Very low	48.6	Very low	193 Å²	193	121.2 Å²	121.2	84%	0.839	64%	0.639	S	S	*	*			trans	-131.4	35.9	-176.7	-117.7	-172.9	-178.9	-172.8	0	114.4	M174	M174-K176 PolarHBondContact O-N 3.26Å
177	T	39.7	Very low	51.7	Low	137 Å²	137	117.1 Å²	117.1	84%	0.84	62%	0.62	S	S	*	*	S	Bend	trans	-139.8	60.7	-177.8	-27.2	0	0	0	0	112.9
178	R	44.3	Very low	54.5	Low	184 Å²	184	115.3 Å²	115.3	69%	0.694	60%	0.601	S	S	*	*	S	Bend	trans	-154.3	0.6	171	-142.2	172.2	150.1	175.2	-10.4	117.7
179	S	45.2	Very low	57.5	Low	93 Å²	93	109.2 Å²	109.2	65%	0.65	57%	0.569	S	S	*	*	S	Bend	trans	-80.4	-32.5	-176	49.2	0	0	0	0	115.1	S181 G182	S179-S181 VanDerWaalsContact C-N 3.33Å; S179-S181 PolarHBondContact O-N 2.74Å; S179-G182 PolarHBondContact O-N 2.73Å
180	V	48	Very low	59.9	Low	126 Å²	126	101.3 Å²	101.3	76%	0.764	54%	0.535	S	S	*	.	H	α-helix	trans	-65.6	-31.1	-168.3	-176.5	0	0	0	0	113.4
181	S	59.7	Low	62.5	Low	84 Å²	84	95.9 Å²	95.9	59%	0.587	52%	0.519	S	S	*	.	H	α-helix	trans	-67.7	-42.1	-176.9	-152.9	0	0	0	0	112.6	S179 S184 V185	S179-S181 VanDerWaalsContact C-N 3.33Å; S179-S181 PolarHBondContact O-N 2.74Å; S181-S184 WeakPolarHBondContact O-CB 3.27Å; S181-S184 PolarHBondContact O-N 2.79Å; S181-V185 WeakPolarHBondContact O-CG2 3.43Å; S181-V185 PolarHBondContact O-N 2.94Å
182	G	63.7	Low	65	Low	14 Å²	14	91.5 Å²	91.5	14%	0.144	50%	0.5	C	S	.	.	H	α-helix	trans	-63.6	-52.4	-170.2	0	0	0	0	0	113.5	S179 S184 V185 L186	S179-G182 PolarHBondContact O-N 2.73Å; G182-S184 VanDerWaalsContact C-N 3.26Å; G182-S184 PolarHBondContact O-N 3.28Å; G182-V185 PolarHBondContact O-N 3.4Å; G182-L186 WeakPolarHBondContact O-CG 3.32Å; G182-L186 PolarHBondContact O-N 2.91Å
183	D	77.1	Confident	67.2	Low	54 Å²	54	88 Å²	88	29%	0.289	47%	0.474	S	S	.	.	H	α-helix	trans	-63.1	-32.5	179.2	-77.4	-71.5	0	0	0	112.4	L186 Q187 S451	D183-L186 PolarHBondContact O-N 2.97Å; D183-Q187 WeakPolarHBondContact O-CB 3.49Å; D183-Q187 WeakPolarHBondContact O-CG 3.03Å; D183-Q187 PolarHBondContact O-N 3.26Å; D183-S451 WeakPolarHBondContact OD1-CB 3.34Å; D183-S451 PolarHBondContact OD1-N 3.18Å; D183-S451 WeakPolarHBondContact OD2-CB 3.17Å
184	S	86.4	Confident	68.7	Low	73 Å²	73	85.3 Å²	85.3	51%	0.51	46%	0.462	S	S	.	.	H	α-helix	trans	-61.6	-46.2	174.7	-170	0	0	0	0	112.1	S181 G182 S188	S181-S184 WeakPolarHBondContact O-CB 3.27Å; S181-S184 PolarHBondContact O-N 2.79Å; G182-S184 VanDerWaalsContact C-N 3.26Å; G182-S184 PolarHBondContact O-N 3.28Å; S184-S188 VanDerWaalsContact O-CB 3.25Å; S184-S188 WeakPolarHBondContact O-CB 3.17Å; S184-S188 PolarHBondContact O-N 2.93Å; S184-S188 PolarHBondContact O-OG 2.9Å
185	V	93.4	Very high	69.8	Low	9 Å²	9	83.8 Å²	83.8	6%	0.055	46%	0.456	C	S	.	.	H	α-helix	trans	-63.5	-45.4	176.9	174.6	0	0	0	0	111.1	S181 G182 S188 T189 F507 D508 L511	S181-V185 WeakPolarHBondContact O-CG2 3.43Å; S181-V185 PolarHBondContact O-N 2.94Å; G182-V185 PolarHBondContact O-N 3.4Å; V185-S188 PolarHBondContact O-N 3.39Å; V185-T189 WeakPolarHBondContact O-CB 3.22Å; V185-T189 PolarHBondContact O-N 2.93Å; V185-T189 PolarHBondContact O-OG1 3.28Å; V185-F507 HydrophobicContact CG1-CB 3.64Å; V185-F507 HydrophobicContact CG1-CD2 4.38Å; V185-D508 WeakPolarHBondContact CG2-OD1 3.35Å; V185-L511 HydrophobicContact CG1-CD1 4.05Å
186	L	94.4	Very high	70.4	Confident	0 Å²	0	84.9 Å²	84.9	0%	0	45%	0.449	C	S	.	.	H	α-helix	trans	-64.2	-44.7	179.7	-63.3	-178.2	0	0	0	112.1	G182 D183 T189 L190 L405 L450 F454 F504 F507	G182-L186 WeakPolarHBondContact O-CG 3.32Å; G182-L186 PolarHBondContact O-N 2.91Å; D183-L186 PolarHBondContact O-N 2.97Å; L186-T189 PolarHBondContact O-N 3.22Å; L186-L190 WeakPolarHBondContact O-CB 3.21Å; L186-L190 VanDerWaalsContact O-CG 3.26Å; L186-L190 WeakPolarHBondContact O-CG 3.06Å; L186-L190 PolarHBondContact O-N 2.96Å; L186-L405 HydrophobicContact CB-CD1 4.18Å; L186-L405 HydrophobicContact CD1-CD1 4.48Å; L186-L405 HydrophobicContact CD2-CD1 4.04Å; L186-L405 HydrophobicContact CD2-CD2 3.96Å; L186-L405 HydrophobicContact CG-CD1 4.45Å; L186-L450 HydrophobicContact CB-CD2 3.84Å; L186-L450 HydrophobicContact CB-CG 4.41Å; L186-L450 HydrophobicContact CD1-CG 4.33Å; L186-F454 HydrophobicContact CD1-CB 4.45Å; L186-F454 HydrophobicContact CD1-CD1 3.84Å; L186-F454 HydrophobicContact CD2-CD1 3.66Å; L186-F454 HydrophobicContact CD2-CE1 3.71Å; L186-F454 HydrophobicContact CG-CD1 4.43Å; L186-F504 HydrophobicContact CD1-CE2 4.38Å; L186-F504 HydrophobicContact CD2-CD2 3.8Å; L186-F504 HydrophobicContact CD2-CE2 3.94Å; L186-F504 HydrophobicContact CD2-CG 4.39Å; L186-F504 HydrophobicContact CG-CD2 4.45Å; L186-F504 HydrophobicContact CG-CE2 4.46Å; L186-F507 HydrophobicContact CD2-CD2 3.93Å; L186-F507 HydrophobicContact CD2-CE2 3.73Å
187	Q	92	Very high	71	Confident	100 Å²	100	80.4 Å²	80.4	47%	0.467	45%	0.448	S	S	.	.	H	α-helix	trans	-67.6	-39.7	177.5	-66	-71.1	7.1	0	0	111.9	D183 T189 L190 G191 L450	D183-Q187 WeakPolarHBondContact O-CB 3.49Å; D183-Q187 WeakPolarHBondContact O-CG 3.03Å; D183-Q187 PolarHBondContact O-N 3.26Å; Q187-T189 PolarHBondContact O-N 2.78Å; Q187-L190 PolarHBondContact O-N 3.17Å; Q187-G191 PolarHBondContact O-N 3Å; Q187-L450 HydrophobicContact CG-CD2 4.03Å
188	S	92.5	Very high	71.7	Confident	57 Å²	57	79.5 Å²	79.5	40%	0.399	43%	0.433	S	S	.	.	H	α-helix	trans	-61.5	-44.3	175.7	-62.3	0	0	0	0	111.6	S184 V185 G191 K192	S184-S188 VanDerWaalsContact O-CB 3.25Å; S184-S188 WeakPolarHBondContact O-CB 3.17Å; S184-S188 PolarHBondContact O-N 2.93Å; S184-S188 PolarHBondContact O-OG 2.9Å; V185-S188 PolarHBondContact O-N 3.39Å; S188-G191 PolarHBondContact O-N 3Å; S188-K192 PolarHBondContact O-N 3.13Å
189	T	91.6	Very high	72.3	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	41%	0.414	C	S	.	.	H	α-helix	trans	-61.9	-45.6	174.9	-61.7	0	0	0	0	111.2	V185 L186 Q187 G191 K192 L193 L405 H408 F507	V185-T189 WeakPolarHBondContact O-CB 3.22Å; V185-T189 PolarHBondContact O-N 2.93Å; V185-T189 PolarHBondContact O-OG1 3.28Å; L186-T189 PolarHBondContact O-N 3.22Å; Q187-T189 PolarHBondContact O-N 2.78Å; T189-G191 VanDerWaalsContact C-N 3.27Å; T189-G191 PolarHBondContact O-N 2.79Å; T189-K192 PolarHBondContact O-N 3.35Å; T189-L193 HydrophobicContact CG2-CD1 3.94Å; T189-L193 VanDerWaalsContact O-CG 3.29Å; T189-L193 WeakPolarHBondContact O-CG 3.4Å; T189-L193 PolarHBondContact O-N 3.22Å; T189-L405 HydrophobicContact CG2-CD2 3.89Å; T189-H408 VanDerWaalsContact CG2-CD2 3.5Å; T189-H408 WeakPolarHBondContact CG2-CD2 3.28Å; T189-F507 HydrophobicContact CG2-CD1 4.29Å; T189-F507 HydrophobicContact CG2-CE1 4.43Å; T189-F507 HydrophobicContact CG2-CG 4.36Å
190	L	89.3	Confident	72.8	Confident	9 Å²	9	75.1 Å²	75.1	5%	0.047	41%	0.409	C	S	.	.	H	α-helix	trans	-63.1	-31.6	175.2	-73.7	172.4	0	0	0	113.6	L186 Q187 L193 H401 K404 L405 L450	L186-L190 WeakPolarHBondContact O-CB 3.21Å; L186-L190 VanDerWaalsContact O-CG 3.26Å; L186-L190 WeakPolarHBondContact O-CG 3.06Å; L186-L190 PolarHBondContact O-N 2.96Å; Q187-L190 PolarHBondContact O-N 3.17Å; L190-L193 PolarHBondContact O-N 3.12Å; L190-L193 VanDerWaalsContact O-N 3.11Å; L190-H401 HydrophobicContact CD1-CB 3.67Å; L190-H401 HydrophobicContact CD2-CB 4.04Å; L190-K404 HydrophobicContact CD2-CB 3.99Å; L190-K404 HydrophobicContact CD2-CD 4.29Å; L190-L405 HydrophobicContact CD1-CD1 4.08Å; L190-L405 HydrophobicContact CD1-CG 4.48Å; L190-L405 HydrophobicContact CD2-CD1 4.34Å; L190-L405 HydrophobicContact CD2-CD2 4.22Å; L190-L405 HydrophobicContact CD2-CG 3.88Å; L190-L405 HydrophobicContact CG-CD1 4.2Å; L190-L405 HydrophobicContact CG-CD2 4.07Å; L190-L405 HydrophobicContact CG-CG 4.07Å; L190-L450 HydrophobicContact CD1-CD1 4.15Å; L190-L450 HydrophobicContact CD1-CD2 3.53Å; L190-L450 HydrophobicContact CD1-CG 4.5Å
191	G	86.2	Confident	73.3	Confident	47 Å²	47	72.9 Å²	72.9	49%	0.485	40%	0.4	S	S	.	.	H	α-helix	trans	-58.7	-46.1	173	0	0	0	0	0	112.2	Q187 S188 T189 L193	Q187-G191 PolarHBondContact O-N 3Å; S188-G191 PolarHBondContact O-N 3Å; T189-G191 VanDerWaalsContact C-N 3.27Å; T189-G191 PolarHBondContact O-N 2.79Å; G191-L193 PolarHBondContact O-N 3.01Å
192	K	84.1	Confident	73.3	Confident	90 Å²	90	71.4 Å²	71.4	39%	0.391	39%	0.385	S	S	.	.	H	α-helix	trans	-67.2	-18.5	174	-62.1	-165.8	-175.3	-175.3	0	113.3	S188 T189 Y510 L511	S188-K192 PolarHBondContact O-N 3.13Å; T189-K192 PolarHBondContact O-N 3.35Å; K192-Y510 HydrophobicContact CD-CE1 4.06Å; K192-Y510 PolarHBondContact NZ-O 3.07Å; K192-L511 HydrophobicContact CD-CD2 3.97Å; K192-L511 HydrophobicContact CG-CD2 4.46Å; K192-L511 PolarHBondContact NZ-O 3Å
193	L	77.3	Confident	73.3	Confident	46 Å²	46	72.8 Å²	72.8	24%	0.241	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	25.7	-174.7	-64.3	171.2	0	0	0	115.1	T189 L190 G191 K404 H408	T189-L193 HydrophobicContact CG2-CD1 3.94Å; T189-L193 VanDerWaalsContact O-CG 3.29Å; T189-L193 WeakPolarHBondContact O-CG 3.4Å; T189-L193 PolarHBondContact O-N 3.22Å; L190-L193 PolarHBondContact O-N 3.12Å; L190-L193 VanDerWaalsContact O-N 3.11Å; G191-L193 PolarHBondContact O-N 3.01Å; L193-K404 HydrophobicContact CB-CD 4.47Å; L193-K404 PolarHBondContact O-NZ 3.39Å; L193-H408 HydrophobicContact CD1-CB 4.19Å
194	K	61.2	Low	72.9	Confident	154 Å²	154	71.7 Å²	71.7	67%	0.67	39%	0.387	S	S	*	.			trans	-88	125.2	175.7	-77.4	-177.5	179.4	173.7	0	112.8
195	I	56.9	Low	72.2	Confident	128 Å²	128	73.9 Å²	73.9	66%	0.656	39%	0.388	S	S	*	.			trans	-92.2	153.8	163.5	2.7	177.2	0	0	0	108.2	D199	I195-D199 WeakPolarHBondContact CB-OD1 3.14Å; I195-D199 WeakPolarHBondContact CB-OD2 3.18Å; I195-D199 WeakPolarHBondContact CG2-OD1 3.33Å
196	R	53.9	Low	71.3	Confident	184 Å²	184	78 Å²	78	69%	0.694	41%	0.412	S	S	*	.			trans	-132	-179.2	-142.5	-64	164.6	79.3	168.3	2.3	112	K198 D199	R196-K198 HydrophobicContact CB-CB 3.93Å; R196-K198 PolarHBondContact O-N 2.78Å; R196-D199 VanDerWaalsContact N-CG 3.28Å; R196-D199 PolarHBondContact N-OD1 3.49Å; R196-D199 PolarHBondContact N-OD2 3.34Å; R196-D199 WeakPolarHBondContact O-CB 3.23Å; R196-D199 PolarHBondContact O-N 2.93Å
197	A	53.5	Low	70.2	Confident	100 Å²	100	79 Å²	79	83%	0.826	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-21.8	166.2	0	0	0	0	0	112.7	D199	A197-D199 PolarHBondContact O-N 3.14Å
198	K	54.3	Low	69.6	Low	118 Å²	118	76.7 Å²	76.7	51%	0.513	41%	0.41	S	S	.	.	H	α-helix	trans	-47.3	-36.7	165.4	-157.8	-174.2	178.4	-83.9	0	112.8	R196 K200 S201 D202	R196-K198 HydrophobicContact CB-CB 3.93Å; R196-K198 PolarHBondContact O-N 2.78Å; K198-K200 VanDerWaalsContact C-N 3.34Å; K198-K200 PolarHBondContact O-N 3.05Å; K198-S201 CarbonylContact O-C 3.5Å; K198-S201 WeakPolarHBondContact O-CA 3.03Å; K198-S201 VanDerWaalsContact O-CB 3.26Å; K198-S201 WeakPolarHBondContact O-CB 3.1Å; K198-S201 PolarHBondContact O-N 2.94Å; K198-D202 WeakPolarHBondContact CD-OD2 3.48Å; K198-D202 WeakPolarHBondContact CG-OD2 3.42Å; K198-D202 IonicContact NZ-OD1 2.72Å; K198-D202 PolarHBondContact NZ-OD1 3.48Å; K198-D202 IonicContact NZ-OD2 3.88Å; K198-D202 PolarHBondContact NZ-OD2 2.83Å; K198-D202 WeakPolarHBondContact O-CB 3.24Å; K198-D202 PolarHBondContact O-N 2.8Å
199	D	56.4	Low	68.8	Low	57 Å²	57	77.5 Å²	77.5	31%	0.305	41%	0.41	S	S	.	.	H	α-helix	trans	-62.3	-36.1	-171.3	-53.1	-4.2	0	0	0	113.7	I195 R196 A197 T203	I195-D199 WeakPolarHBondContact CB-OD1 3.14Å; I195-D199 WeakPolarHBondContact CB-OD2 3.18Å; I195-D199 WeakPolarHBondContact CG2-OD1 3.33Å; R196-D199 VanDerWaalsContact N-CG 3.28Å; R196-D199 PolarHBondContact N-OD1 3.49Å; R196-D199 PolarHBondContact N-OD2 3.34Å; R196-D199 WeakPolarHBondContact O-CB 3.23Å; R196-D199 PolarHBondContact O-N 2.93Å; A197-D199 PolarHBondContact O-N 3.14Å; D199-T203 WeakPolarHBondContact O-CB 3.4Å; D199-T203 PolarHBondContact O-N 3Å; D199-T203 PolarHBondContact O-OG1 2.86Å
200	K	55.7	Low	68.3	Low	127 Å²	127	82.1 Å²	82.1	55%	0.552	43%	0.43	S	S	*	.	H	α-helix	trans	-67	-43.8	173.7	-174.4	176.9	178.4	-179.7	0	109.9	K198 T203 S204	K198-K200 VanDerWaalsContact C-N 3.34Å; K198-K200 PolarHBondContact O-N 3.05Å; K200-T203 PolarHBondContact O-N 3.39Å; K200-S204 WeakPolarHBondContact O-CB 3.31Å; K200-S204 PolarHBondContact O-N 3.01Å; K200-S204 PolarHBondContact O-OG 3.04Å; K200-S204 VanDerWaalsContact O-OG 3.05Å
201	S	59.8	Low	68	Low	80 Å²	80	82.7 Å²	82.7	56%	0.559	43%	0.433	S	S	*	.	H	α-helix	trans	-63.6	-44.4	174.9	-166	0	0	0	0	111.9	K198 T203 S204 K205	K198-S201 CarbonylContact O-C 3.5Å; K198-S201 WeakPolarHBondContact O-CA 3.03Å; K198-S201 VanDerWaalsContact O-CB 3.26Å; K198-S201 WeakPolarHBondContact O-CB 3.1Å; K198-S201 PolarHBondContact O-N 2.94Å; S201-T203 PolarHBondContact O-N 3.12Å; S201-S204 PolarHBondContact O-N 2.89Å; S201-K205 WeakPolarHBondContact O-CB 3.22Å; S201-K205 PolarHBondContact O-N 2.89Å
202	D	60	Low	67.7	Low	53 Å²	53	81.7 Å²	81.7	28%	0.283	42%	0.422	S	S	.	.	H	α-helix	trans	-65.5	-37.5	178.8	-75	-19.2	0	0	0	111	K198 K205 V206	K198-D202 WeakPolarHBondContact CD-OD2 3.48Å; K198-D202 WeakPolarHBondContact CG-OD2 3.42Å; K198-D202 IonicContact NZ-OD1 2.72Å; K198-D202 PolarHBondContact NZ-OD1 3.48Å; K198-D202 IonicContact NZ-OD2 3.88Å; K198-D202 PolarHBondContact NZ-OD2 2.83Å; K198-D202 WeakPolarHBondContact O-CB 3.24Å; K198-D202 PolarHBondContact O-N 2.8Å; D202-K205 PolarHBondContact O-N 3.36Å; D202-V206 WeakPolarHBondContact O-CB 3.5Å; D202-V206 VanDerWaalsContact O-CG2 3.29Å; D202-V206 WeakPolarHBondContact O-CG2 3.49Å; D202-V206 PolarHBondContact O-N 2.9Å
203	T	62.1	Low	67.7	Low	43 Å²	43	80.9 Å²	80.9	26%	0.264	42%	0.422	S	S	.	.	H	α-helix	trans	-75.7	-42.1	176.3	-42.9	0	0	0	0	111.9	D199 K200 S201 K205 V206 V207 P246 F249	D199-T203 WeakPolarHBondContact O-CB 3.4Å; D199-T203 PolarHBondContact O-N 3Å; D199-T203 PolarHBondContact O-OG1 2.86Å; K200-T203 PolarHBondContact O-N 3.39Å; S201-T203 PolarHBondContact O-N 3.12Å; T203-K205 PolarHBondContact O-N 2.95Å; T203-V206 PolarHBondContact O-N 3.39Å; T203-V207 PolarHBondContact O-N 2.94Å; T203-P246 HydrophobicContact CG2-CB 3.9Å; T203-P246 HydrophobicContact CG2-CG 3.72Å; T203-F249 HydrophobicContact CG2-CZ 4.09Å
204	S	69.3	Low	68.1	Low	31 Å²	31	79.3 Å²	79.3	22%	0.217	41%	0.414	C	S	.	.	H	α-helix	trans	-57	-39.3	169.4	-64.6	0	0	0	0	111.2	K200 S201 N208 Y237	K200-S204 WeakPolarHBondContact O-CB 3.31Å; K200-S204 PolarHBondContact O-N 3.01Å; K200-S204 PolarHBondContact O-OG 3.04Å; K200-S204 VanDerWaalsContact O-OG 3.05Å; S201-S204 PolarHBondContact O-N 2.89Å; S204-N208 VanDerWaalsContact O-CB 3.26Å; S204-N208 WeakPolarHBondContact O-CB 3.46Å; S204-N208 PolarHBondContact O-N 3.25Å; S204-N208 PolarHBondContact O-ND2 2.67Å; S204-N208 PolarHBondContact O-OD1 3.46Å; S204-Y237 PolarHBondContact OG-OH 3.12Å
205	K	71.4	Confident	69.3	Low	118 Å²	118	72.9 Å²	72.9	51%	0.513	39%	0.387	S	S	.	.	H	α-helix	trans	-65	-49.7	174.1	179.1	173.6	176.8	178.6	0	111.2	S201 D202 T203 V207 N208 D209	S201-K205 WeakPolarHBondContact O-CB 3.22Å; S201-K205 PolarHBondContact O-N 2.89Å; D202-K205 PolarHBondContact O-N 3.36Å; T203-K205 PolarHBondContact O-N 2.95Å; K205-V207 VanDerWaalsContact C-N 3.26Å; K205-V207 PolarHBondContact O-N 2.94Å; K205-N208 PolarHBondContact O-N 2.89Å; K205-N208 VanDerWaalsContact O-N 3.15Å; K205-D209 WeakPolarHBondContact CE-OD2 3.48Å; K205-D209 WeakPolarHBondContact CG-OD2 3.15Å; K205-D209 WeakPolarHBondContact O-CB 3.43Å; K205-D209 PolarHBondContact O-N 3.41Å
206	V	74.2	Confident	70.8	Confident	95 Å²	95	74 Å²	74	58%	0.576	38%	0.383	S	S	*	.	H	α-helix	trans	-56.2	-40.1	178	163.9	0	0	0	0	111.8	D202 T203 F210	D202-V206 WeakPolarHBondContact O-CB 3.5Å; D202-V206 VanDerWaalsContact O-CG2 3.29Å; D202-V206 WeakPolarHBondContact O-CG2 3.49Å; D202-V206 PolarHBondContact O-N 2.9Å; T203-V206 PolarHBondContact O-N 3.39Å; V206-F210 WeakPolarHBondContact O-CB 3.36Å; V206-F210 PolarHBondContact O-N 2.74Å
207	V	73.4	Confident	72.3	Confident	22 Å²	22	67.4 Å²	67.4	13%	0.133	36%	0.359	C	S	.	.	H	α-helix	trans	-73.2	-42.5	176.2	175.5	0	0	0	0	112.1	T203 K205 D209 F210 I211 F249	T203-V207 PolarHBondContact O-N 2.94Å; K205-V207 VanDerWaalsContact C-N 3.26Å; K205-V207 PolarHBondContact O-N 2.94Å; V207-D209 PolarHBondContact O-N 3.29Å; V207-F210 PolarHBondContact O-N 3.1Å; V207-I211 HydrophobicContact CG1-CG1 4.26Å; V207-I211 WeakPolarHBondContact O-CB 3.45Å; V207-I211 VanDerWaalsContact O-CG1 3.32Å; V207-I211 WeakPolarHBondContact O-CG1 3.29Å; V207-I211 PolarHBondContact O-N 2.92Å; V207-F249 HydrophobicContact CB-CD1 4.22Å; V207-F249 HydrophobicContact CB-CE1 4.14Å; V207-F249 HydrophobicContact CB-CZ 4.45Å; V207-F249 HydrophobicContact CG1-CB 4.28Å; V207-F249 HydrophobicContact CG1-CD1 3.86Å; V207-F249 HydrophobicContact CG1-CE1 4.29Å; V207-F249 HydrophobicContact CG1-CG 4.03Å; V207-F249 HydrophobicContact CG2-CD1 3.97Å; V207-F249 HydrophobicContact CG2-CD2 3.86Å; V207-F249 HydrophobicContact CG2-CE1 3.71Å; V207-F249 HydrophobicContact CG2-CE2 3.65Å; V207-F249 HydrophobicContact CG2-CG 4.03Å; V207-F249 HydrophobicContact CG2-CZ 3.55Å
208	N	79.1	Confident	74	Confident	52 Å²	52	62.7 Å²	62.7	28%	0.278	32%	0.32	S	S	.	.	H	α-helix	trans	-66.1	-37.9	177.2	-67.1	-17.7	0	0	0	112.1	S204 K205 G212 R233	S204-N208 VanDerWaalsContact O-CB 3.26Å; S204-N208 WeakPolarHBondContact O-CB 3.46Å; S204-N208 PolarHBondContact O-N 3.25Å; S204-N208 PolarHBondContact O-ND2 2.67Å; S204-N208 PolarHBondContact O-OD1 3.46Å; K205-N208 PolarHBondContact O-N 2.89Å; K205-N208 VanDerWaalsContact O-N 3.15Å; N208-G212 PolarHBondContact O-N 3.34Å; N208-R233 VanDerWaalsContact OD1-CZ 3.24Å; N208-R233 PolarHBondContact OD1-NH2 2.98Å
209	D	75.3	Confident	75.8	Confident	74 Å²	74	61.2 Å²	61.2	40%	0.396	31%	0.314	S	S	.	.	H	α-helix	trans	-66.4	-43.3	173.2	-70.6	-4	0	0	0	109.8	K205 V207 N213	K205-D209 WeakPolarHBondContact CE-OD2 3.48Å; K205-D209 WeakPolarHBondContact CG-OD2 3.15Å; K205-D209 WeakPolarHBondContact O-CB 3.43Å; K205-D209 PolarHBondContact O-N 3.41Å; V207-D209 PolarHBondContact O-N 3.29Å; D209-N213 WeakPolarHBondContact O-CB 3.12Å; D209-N213 PolarHBondContact O-N 3.25Å; D209-N213 PolarHBondContact O-ND2 3.41Å; D209-N213 VanDerWaalsContact O-ND2 3.1Å; D209-N213 PolarHBondContact O-OD1 3.28Å
210	F	80.3	Confident	77.3	Confident	97 Å²	97	65.6 Å²	65.6	43%	0.425	33%	0.33	S	S	.	.	H	α-helix	trans	-61.8	-49.3	175.5	177.4	-93.7	0	0	0	112.2	V206 V207 N213 L214 F308 A309	V206-F210 WeakPolarHBondContact O-CB 3.36Å; V206-F210 PolarHBondContact O-N 2.74Å; V207-F210 PolarHBondContact O-N 3.1Å; F210-N213 PolarHBondContact O-N 2.96Å; F210-L214 WeakPolarHBondContact O-CB 3.5Å; F210-L214 PolarHBondContact O-N 3.07Å; F210-F308 HydrophobicContact CD1-CE1 4.34Å; F210-F308 AromaticContact CD2-CE1 3.79Å; F210-F308 HydrophobicContact CD2-CE1 3.79Å; F210-F308 HydrophobicContact CD2-CZ 4.01Å; F210-F308 AromaticContact CE1-CE1 3.99Å; F210-F308 HydrophobicContact CE1-CE1 3.99Å; F210-F308 HydrophobicContact CE2-CD1 4.17Å; F210-F308 AromaticContact CE2-CE1 3.38Å; F210-F308 HydrophobicContact CE2-CE1 3.38Å; F210-F308 HydrophobicContact CE2-CZ 4.05Å; F210-F308 HydrophobicContact CG-CE1 4.26Å; F210-F308 HydrophobicContact CG-CZ 4.45Å; F210-F308 HydrophobicContact CZ-CD1 4.13Å; F210-F308 AromaticContact CZ-CE1 3.51Å; F210-F308 HydrophobicContact CZ-CE1 3.51Å; F210-F308 WeakPolarHBondContact O-CZ 3.28Å; F210-A309 HydrophobicContact CZ-CB 4.24Å
211	I	82.8	Confident	78.7	Confident	21 Å²	21	64.5 Å²	64.5	11%	0.108	33%	0.327	C	S	.	.	H	α-helix	trans	-66.4	-41.6	177.6	-64.9	-64.9	0	0	0	111	V207 N213 L214 I215 P231 V251 L253	V207-I211 HydrophobicContact CG1-CG1 4.26Å; V207-I211 WeakPolarHBondContact O-CB 3.45Å; V207-I211 VanDerWaalsContact O-CG1 3.32Å; V207-I211 WeakPolarHBondContact O-CG1 3.29Å; V207-I211 PolarHBondContact O-N 2.92Å; I211-N213 VanDerWaalsContact C-N 3.33Å; I211-N213 PolarHBondContact O-N 3.25Å; I211-L214 WeakPolarHBondContact O-CB 3.37Å; I211-L214 PolarHBondContact O-N 3.24Å; I211-I215 HydrophobicContact CG2-CD1 3.91Å; I211-I215 WeakPolarHBondContact O-CB 2.81Å; I211-I215 WeakPolarHBondContact O-CG1 3.35Å; I211-I215 PolarHBondContact O-N 3.08Å; I211-P231 HydrophobicContact CG2-CB 3.8Å; I211-P231 HydrophobicContact CG2-CG 3.85Å; I211-V251 HydrophobicContact CD1-CB 4.26Å; I211-V251 HydrophobicContact CD1-CG1 4.21Å; I211-V251 HydrophobicContact CD1-CG2 4.16Å; I211-V251 HydrophobicContact CG1-CG2 4.3Å; I211-V251 HydrophobicContact CG2-CG1 4.32Å; I211-L253 HydrophobicContact CG2-CD2 4.49Å
212	G	81.4	Confident	79.9	Confident	26 Å²	26	61.2 Å²	61.2	27%	0.268	30%	0.304	S	S	.	.	H	α-helix	trans	-65.6	-33.5	175.3	0	0	0	0	0	113.2	N208 R216	N208-G212 PolarHBondContact O-N 3.34Å; G212-R216 WeakPolarHBondContact O-CB 3.49Å; G212-R216 PolarHBondContact O-N 2.94Å
213	N	83.1	Confident	81.2	Confident	73 Å²	73	64.1 Å²	64.1	39%	0.39	32%	0.318	S	S	.	.	H	α-helix	trans	-73	-37.7	172.7	-69.7	-20.7	0	0	0	111.8	D209 F210 I211 R216 H217 F308	D209-N213 WeakPolarHBondContact O-CB 3.12Å; D209-N213 PolarHBondContact O-N 3.25Å; D209-N213 PolarHBondContact O-ND2 3.41Å; D209-N213 VanDerWaalsContact O-ND2 3.1Å; D209-N213 PolarHBondContact O-OD1 3.28Å; F210-N213 PolarHBondContact O-N 2.96Å; I211-N213 VanDerWaalsContact C-N 3.33Å; I211-N213 PolarHBondContact O-N 3.25Å; N213-R216 PolarHBondContact O-N 3.49Å; N213-R216 PolarHBondContact OD1-NH1 3.48Å; N213-H217 WeakPolarHBondContact O-CB 3.44Å; N213-H217 PolarHBondContact O-N 3.14Å; N213-F308 HydrophobicContact CB-CE2 4.12Å; N213-F308 HydrophobicContact CB-CZ 4.15Å
214	L	85.8	Confident	82.3	Confident	12 Å²	12	62.3 Å²	62.3	6%	0.063	31%	0.307	C	S	.	.	H	α-helix	trans	-62	-48.5	172.5	175.3	57	0	0	0	110.9	F210 I211 R216 H217 L218 L253 V305 F308	F210-L214 WeakPolarHBondContact O-CB 3.5Å; F210-L214 PolarHBondContact O-N 3.07Å; I211-L214 WeakPolarHBondContact O-CB 3.37Å; I211-L214 PolarHBondContact O-N 3.24Å; L214-R216 VanDerWaalsContact C-N 3.35Å; L214-R216 PolarHBondContact O-N 3.28Å; L214-H217 WeakPolarHBondContact O-CB 3.44Å; L214-H217 PolarHBondContact O-N 3.19Å; L214-L218 HydrophobicContact CD1-CD1 3.94Å; L214-L218 HydrophobicContact CD1-CG 4.12Å; L214-L218 HydrophobicContact CG-CD1 3.96Å; L214-L218 WeakPolarHBondContact O-CB 3.13Å; L214-L218 VanDerWaalsContact O-CG 3.28Å; L214-L218 WeakPolarHBondContact O-CG 3.17Å; L214-L218 PolarHBondContact O-N 3.41Å; L214-L253 HydrophobicContact CD2-CD1 4.11Å; L214-L253 HydrophobicContact CG-CD1 4.49Å; L214-V305 HydrophobicContact CD1-CG2 4.12Å; L214-V305 HydrophobicContact CD2-CG2 4.49Å; L214-F308 HydrophobicContact CB-CD1 4.18Å; L214-F308 HydrophobicContact CB-CE1 3.63Å; L214-F308 HydrophobicContact CB-CE2 4.35Å; L214-F308 HydrophobicContact CB-CZ 3.74Å; L214-F308 HydrophobicContact CD1-CB 4.43Å; L214-F308 HydrophobicContact CD1-CD1 3.76Å; L214-F308 HydrophobicContact CD1-CE1 4.12Å; L214-F308 HydrophobicContact CD1-CG 4.03Å; L214-F308 HydrophobicContact CG-CD1 4.42Å; L214-F308 HydrophobicContact CG-CE1 4.3Å
215	I	87.5	Confident	83.3	Confident	19 Å²	19	61 Å²	61	10%	0.097	30%	0.298	C	S	.	.	H	α-helix	trans	-61	-44.3	176.4	-70.6	169.6	0	0	0	110.4	I211 H217 L218 K219 V228 P231 L253	I211-I215 HydrophobicContact CG2-CD1 3.91Å; I211-I215 WeakPolarHBondContact O-CB 2.81Å; I211-I215 WeakPolarHBondContact O-CG1 3.35Å; I211-I215 PolarHBondContact O-N 3.08Å; I215-H217 VanDerWaalsContact C-N 3.35Å; I215-H217 PolarHBondContact O-N 2.97Å; I215-L218 PolarHBondContact O-N 3.38Å; I215-K219 HydrophobicContact CG2-CD 4.26Å; I215-K219 HydrophobicContact CG2-CG 4.31Å; I215-K219 WeakPolarHBondContact O-CB 3.41Å; I215-K219 WeakPolarHBondContact O-CG 3.43Å; I215-K219 PolarHBondContact O-N 3.26Å; I215-V228 HydrophobicContact CG2-CG1 4.02Å; I215-P231 HydrophobicContact CD1-CB 4.07Å; I215-P231 HydrophobicContact CD1-CG 3.84Å; I215-L253 HydrophobicContact CD1-CD2 3.9Å; I215-L253 HydrophobicContact CG1-CD2 4.01Å
216	R	86.8	Confident	84	Confident	153 Å²	153	59.7 Å²	59.7	58%	0.577	29%	0.293	S	S	*	.	H	α-helix	trans	-66.5	-33.7	177.5	-158.7	-175.4	-48.6	99	7.4	113.1	G212 N213 L214 K220	G212-R216 WeakPolarHBondContact O-CB 3.49Å; G212-R216 PolarHBondContact O-N 2.94Å; N213-R216 PolarHBondContact O-N 3.49Å; N213-R216 PolarHBondContact OD1-NH1 3.48Å; L214-R216 VanDerWaalsContact C-N 3.35Å; L214-R216 PolarHBondContact O-N 3.28Å; R216-K220 WeakPolarHBondContact O-CB 3.41Å; R216-K220 PolarHBondContact O-N 2.9Å; R216-K220 VanDerWaalsContact O-N 3.15Å
217	H	87.3	Confident	84.6	Confident	44 Å²	44	58.6 Å²	58.6	20%	0.204	28%	0.284	C	S	.	.	H	α-helix	trans	-62	-54.6	170.5	175.7	98.4	0	0	0	110.1	N213 L214 I215 K219 K220 E221 E304 F308	N213-H217 WeakPolarHBondContact O-CB 3.44Å; N213-H217 PolarHBondContact O-N 3.14Å; L214-H217 WeakPolarHBondContact O-CB 3.44Å; L214-H217 PolarHBondContact O-N 3.19Å; I215-H217 VanDerWaalsContact C-N 3.35Å; I215-H217 PolarHBondContact O-N 2.97Å; H217-K219 VanDerWaalsContact C-N 3.31Å; H217-K219 PolarHBondContact O-N 3.42Å; H217-K220 PolarHBondContact O-N 3.39Å; H217-K220 VanDerWaalsContact O-N 3.1Å; H217-E221 WeakPolarHBondContact O-CG 3.13Å; H217-E221 PolarHBondContact O-N 3.47Å; H217-E304 IonicContact CD2-OE2 2.68Å; H217-E304 IonicContact CE1-OE2 3.22Å; H217-E304 IonicContact NE2-OE2 2.72Å; H217-E304 PolarHBondContact NE2-OE2 3.1Å; H217-F308 HydrophobicContact CB-CD2 4.4Å
218	L	89.1	Confident	85.2	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-56.3	-44.7	178.8	-69.3	166.8	0	0	0	111.6	L214 I215 K220 T222 F225 L253 F301 E304	L214-L218 HydrophobicContact CD1-CD1 3.94Å; L214-L218 HydrophobicContact CD1-CG 4.12Å; L214-L218 HydrophobicContact CG-CD1 3.96Å; L214-L218 WeakPolarHBondContact O-CB 3.13Å; L214-L218 VanDerWaalsContact O-CG 3.28Å; L214-L218 WeakPolarHBondContact O-CG 3.17Å; L214-L218 PolarHBondContact O-N 3.41Å; I215-L218 PolarHBondContact O-N 3.38Å; L218-K220 VanDerWaalsContact C-N 3.3Å; L218-K220 PolarHBondContact O-N 3.08Å; L218-T222 PolarHBondContact O-N 3.37Å; L218-T222 PolarHBondContact O-OG1 2.97Å; L218-F225 HydrophobicContact CB-CB 3.94Å; L218-F225 HydrophobicContact CD2-CB 4.03Å; L218-F225 HydrophobicContact CD2-CD2 3.7Å; L218-F225 HydrophobicContact CD2-CG 4.1Å; L218-F225 HydrophobicContact CG-CB 4.48Å; L218-L253 HydrophobicContact CD1-CD1 4Å; L218-F301 HydrophobicContact CD1-CE2 3.95Å; L218-F301 HydrophobicContact CD2-CD2 4.3Å; L218-F301 HydrophobicContact CD2-CE2 4.47Å; L218-E304 HydrophobicContact CD2-CB 3.92Å; L218-E304 HydrophobicContact CD2-CG 4.35Å
219	K	90.8	Very high	85.1	Confident	87 Å²	87	58.9 Å²	58.9	38%	0.378	29%	0.285	S	S	.	.	H	α-helix	trans	-71.6	-16.4	179.3	-66.4	-160	176.2	-166.9	0	115.6	I215 H217 Q226 V228	I215-K219 HydrophobicContact CG2-CD 4.26Å; I215-K219 HydrophobicContact CG2-CG 4.31Å; I215-K219 WeakPolarHBondContact O-CB 3.41Å; I215-K219 WeakPolarHBondContact O-CG 3.43Å; I215-K219 PolarHBondContact O-N 3.26Å; H217-K219 VanDerWaalsContact C-N 3.31Å; H217-K219 PolarHBondContact O-N 3.42Å; K219-Q226 VanDerWaalsContact CD-O 3.24Å; K219-Q226 WeakPolarHBondContact CD-O 3.49Å; K219-Q226 WeakPolarHBondContact CE-O 3.11Å; K219-Q226 VanDerWaalsContact CG-O 3.31Å; K219-Q226 WeakPolarHBondContact CG-O 3.43Å; K219-V228 HydrophobicContact CD-CG1 4.28Å; K219-V228 WeakPolarHBondContact CE-O 3.42Å; K219-V228 HydrophobicContact CG-CG1 3.83Å; K219-V228 PolarHBondContact NZ-O 2.77Å
220	K	87.7	Confident	85.3	Confident	149 Å²	149	62.3 Å²	62.3	65%	0.648	30%	0.299	S	S	*	.	H	α-helix	trans	-104.3	-43.8	-178.9	-177.6	-175.3	166.7	-63	0	112.8	R216 H217 L218	R216-K220 WeakPolarHBondContact O-CB 3.41Å; R216-K220 PolarHBondContact O-N 2.9Å; R216-K220 VanDerWaalsContact O-N 3.15Å; H217-K220 PolarHBondContact O-N 3.39Å; H217-K220 VanDerWaalsContact O-N 3.1Å; L218-K220 VanDerWaalsContact C-N 3.3Å; L218-K220 PolarHBondContact O-N 3.08Å
221	E	85.5	Confident	85.4	Confident	104 Å²	104	58.6 Å²	58.6	49%	0.486	28%	0.284	S	S	.	.	H	α-helix	trans	-93.8	-13.8	-171.9	-46.5	-52.9	154.1	0	0	113.1	H217	H217-E221 WeakPolarHBondContact O-CG 3.13Å; H217-E221 PolarHBondContact O-N 3.47Å
222	T	85.4	Confident	85.1	Confident	12 Å²	12	62.1 Å²	62.1	7%	0.074	30%	0.303	C	S	.	.			trans	-137.5	110.8	-176.6	42.8	0	0	0	0	113.7	L218 C224 F225 Q226 E304	L218-T222 PolarHBondContact O-N 3.37Å; L218-T222 PolarHBondContact O-OG1 2.97Å; T222-C224 VanDerWaalsContact C-N 3.26Å; T222-C224 PolarHBondContact O-N 2.89Å; T222-F225 HydrophobicContact CG2-CD2 4.29Å; T222-F225 CarbonylContact O-C 3.46Å; T222-F225 PolarHBondContact O-N 2.84Å; T222-F225 VanDerWaalsContact O-N 3.07Å; T222-F225 WeakPolarHBondContact OG1-CD2 3.39Å; T222-Q226 PolarHBondContact O-N 3.4Å; T222-E304 HydrophobicContact CG2-CG 3.68Å
223	I	86.7	Confident	84.8	Confident	114 Å²	114	66.7 Å²	66.7	59%	0.585	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-53.7	-42.2	176.4	-58.8	170.9	0	0	0	111.4	F225 Q226 H282	I223-F225 VanDerWaalsContact C-N 3.26Å; I223-F225 PolarHBondContact O-N 2.92Å; I223-Q226 WeakPolarHBondContact O-CB 3.44Å; I223-Q226 PolarHBondContact O-N 3.36Å; I223-H282 HydrophobicContact CG2-CB 4.03Å; I223-H282 WeakPolarHBondContact CG2-CD2 3.46Å; I223-H282 VanDerWaalsContact O-CB 3.28Å; I223-H282 WeakPolarHBondContact O-CB 3.27Å
224	C	85.4	Confident	83.9	Confident	4 Å²	4	65.7 Å²	65.7	3%	0.027	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-67.3	-16.2	-179.6	54.5	0	0	0	0	115.7	T222 M255 L283 K285 F286 E300	T222-C224 VanDerWaalsContact C-N 3.26Å; T222-C224 PolarHBondContact O-N 2.89Å; C224-M255 WeakPolarHBondContact O-CE 3.34Å; C224-L283 HydrophobicContact CB-CD2 4.35Å; C224-L283 WeakPolarHBondContact O-CD2 3.28Å; C224-K285 HydrophobicContact CB-CD 3.86Å; C224-K285 HydrophobicContact CB-CG 4.39Å; C224-F286 HydrophobicContact CB-CE2 3.78Å; C224-F286 HydrophobicContact CB-CZ 4.12Å; C224-E300 PolarHBondContact SG-OE1 3.31Å
225	F	89.6	Confident	82.8	Confident	5 Å²	5	65.9 Å²	65.9	2%	0.022	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-117.5	16.4	174.8	-52.3	-54.6	0	0	0	111.9	L218 T222 I223 D227 V228 M255 F286 M297 E300 F301	L218-F225 HydrophobicContact CB-CB 3.94Å; L218-F225 HydrophobicContact CD2-CB 4.03Å; L218-F225 HydrophobicContact CD2-CD2 3.7Å; L218-F225 HydrophobicContact CD2-CG 4.1Å; L218-F225 HydrophobicContact CG-CB 4.48Å; T222-F225 HydrophobicContact CG2-CD2 4.29Å; T222-F225 CarbonylContact O-C 3.46Å; T222-F225 PolarHBondContact O-N 2.84Å; T222-F225 VanDerWaalsContact O-N 3.07Å; T222-F225 WeakPolarHBondContact OG1-CD2 3.39Å; I223-F225 VanDerWaalsContact C-N 3.26Å; I223-F225 PolarHBondContact O-N 2.92Å; F225-D227 VanDerWaalsContact C-N 3.27Å; F225-D227 PolarHBondContact O-N 2.66Å; F225-V228 WeakPolarHBondContact O-CG1 3.41Å; F225-V228 PolarHBondContact O-N 2.68Å; F225-M255 HydrophobicContact CD1-CE 4.43Å; F225-M255 HydrophobicContact CD1-SD 4.11Å; F225-F286 HydrophobicContact CZ-CE2 4.48Å; F225-F286 HydrophobicContact CZ-CZ 4.31Å; F225-M297 HydrophobicContact CE1-CE 4.16Å; F225-M297 HydrophobicContact CE1-CG 4.1Å; F225-M297 HydrophobicContact CZ-CG 4.48Å; F225-E300 HydrophobicContact CE2-CB 4.5Å; F225-E300 HydrophobicContact CE2-CG 4.29Å; F225-E300 HydrophobicContact CZ-CB 4.47Å; F225-F301 HydrophobicContact CE1-CB 4.3Å; F225-F301 HydrophobicContact CE2-CB 4.14Å; F225-F301 HydrophobicContact CZ-CB 3.72Å
226	Q	87.1	Confident	81.4	Confident	90 Å²	90	67 Å²	67	42%	0.421	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-34.7	177.4	-171.7	168.9	-5.7	0	0	112.6	K219 T222 I223 V228	K219-Q226 VanDerWaalsContact CD-O 3.24Å; K219-Q226 WeakPolarHBondContact CD-O 3.49Å; K219-Q226 WeakPolarHBondContact CE-O 3.11Å; K219-Q226 VanDerWaalsContact CG-O 3.31Å; K219-Q226 WeakPolarHBondContact CG-O 3.43Å; T222-Q226 PolarHBondContact O-N 3.4Å; I223-Q226 WeakPolarHBondContact O-CB 3.44Å; I223-Q226 PolarHBondContact O-N 3.36Å; Q226-V228 VanDerWaalsContact C-N 3.33Å; Q226-V228 PolarHBondContact O-N 3.06Å
227	D	85.9	Confident	80.7	Confident	71 Å²	71	61 Å²	61	38%	0.38	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	13.7	-175.4	-46.1	-62.1	0	0	0	113.2	F225 D229 P256 H282	F225-D227 VanDerWaalsContact C-N 3.27Å; F225-D227 PolarHBondContact O-N 2.66Å; D227-D229 PolarHBondContact O-N 3.18Å; D227-P256 HydrophobicContact CB-CG 4.49Å; D227-P256 WeakPolarHBondContact O-CD 3.2Å; D227-P256 WeakPolarHBondContact O-CG 3.19Å; D227-H282 IonicContact OD1-ND1 2.82Å; D227-H282 IonicContact OD2-CE1 3.71Å; D227-H282 IonicContact OD2-CG 2.67Å; D227-H282 IonicContact OD2-ND1 3.92Å; D227-H282 PolarHBondContact OD2-ND1 2.75Å
228	V	86.7	Confident	79.5	Confident	2 Å²	2	61.4 Å²	61.4	1%	0.012	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-58.4	128.9	179.2	67.5	0	0	0	0	111.4	I215 K219 F225 Q226 L253 P254 M255	I215-V228 HydrophobicContact CG2-CG1 4.02Å; K219-V228 HydrophobicContact CD-CG1 4.28Å; K219-V228 WeakPolarHBondContact CE-O 3.42Å; K219-V228 HydrophobicContact CG-CG1 3.83Å; K219-V228 PolarHBondContact NZ-O 2.77Å; F225-V228 WeakPolarHBondContact O-CG1 3.41Å; F225-V228 PolarHBondContact O-N 2.68Å; Q226-V228 VanDerWaalsContact C-N 3.33Å; Q226-V228 PolarHBondContact O-N 3.06Å; V228-L253 HydrophobicContact CG2-CB 3.87Å; V228-P254 WeakPolarHBondContact CG2-O 3.24Å; V228-M255 HydrophobicContact CB-SD 3.55Å; V228-M255 VanDerWaalsContact CB-SD 3.55Å; V228-M255 HydrophobicContact CG2-SD 3.82Å
229	D	77.7	Confident	78.6	Confident	79 Å²	79	66.6 Å²	66.6	42%	0.422	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-77.2	173.8	-176.7	-93.2	-41.1	0	0	0	112.7	D227 P254 P256	D227-D229 PolarHBondContact O-N 3.18Å; D229-P254 HydrophobicContact CB-CB 3.94Å; D229-P254 HydrophobicContact CB-CG 3.97Å; D229-P254 PolarHBondContact N-O 2.68Å; D229-P256 WeakPolarHBondContact OD2-CD 3.4Å
230	E	79.3	Confident	77.2	Confident	146 Å²	146	68.6 Å²	68.6	68%	0.682	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-57.4	139.6	173.9	-75	-62.3	133.6	0	0	111.7	L232 P254	E230-L232 PolarHBondContact O-N 2.92Å; E230-P254 WeakPolarHBondContact O-CD 3.31Å
231	P	82.4	Confident	75.3	Confident	18 Å²	18	67.3 Å²	67.3	12%	0.117	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-70.3	119	-170	27	-32.4	0	0	0	111.3	I211 I215 R233 V251 M252 L253	I211-P231 HydrophobicContact CG2-CB 3.8Å; I211-P231 HydrophobicContact CG2-CG 3.85Å; I215-P231 HydrophobicContact CD1-CB 4.07Å; I215-P231 HydrophobicContact CD1-CG 3.84Å; P231-R233 PolarHBondContact O-N 3.04Å; P231-R233 VanDerWaalsContact O-N 3.1Å; P231-V251 HydrophobicContact CB-CG1 3.62Å; P231-M252 CarbonylContact C-O 3.53Å; P231-M252 WeakPolarHBondContact CA-O 3.35Å; P231-L253 HydrophobicContact CB-CD2 3.81Å
232	L	75.4	Confident	73.8	Confident	96 Å²	96	65.2 Å²	65.2	50%	0.503	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	106.2	173.6	-58.3	178.2	0	0	0	108.8	E230 T234 M252 P254	E230-L232 PolarHBondContact O-N 2.92Å; L232-T234 HydrophobicContact CB-CG2 4.44Å; L232-T234 PolarHBondContact O-N 3.06Å; L232-M252 HydrophobicContact CB-CB 4.24Å; L232-M252 PolarHBondContact N-O 2.82Å; L232-M252 PolarHBondContact O-N 2.84Å; L232-P254 HydrophobicContact CD1-CG 3.87Å; L232-P254 HydrophobicContact CG-CG 3.79Å
233	R	76.2	Confident	72	Confident	121 Å²	121	71 Å²	71	46%	0.457	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	96.4	178.9	-69.1	175.1	-173	179.2	6.4	109.3	N208 P231 Y238	N208-R233 VanDerWaalsContact OD1-CZ 3.24Å; N208-R233 PolarHBondContact OD1-NH2 2.98Å; P231-R233 PolarHBondContact O-N 3.04Å; P231-R233 VanDerWaalsContact O-N 3.1Å; R233-Y238 HydrophobicContact CB-CD1 3.88Å; R233-Y238 HydrophobicContact CB-CD2 3.67Å; R233-Y238 HydrophobicContact CB-CE1 4.01Å; R233-Y238 HydrophobicContact CB-CE2 3.79Å; R233-Y238 HydrophobicContact CB-CG 3.7Å; R233-Y238 HydrophobicContact CG-CD1 4.35Å; R233-Y238 HydrophobicContact CG-CD2 4.44Å; R233-Y238 HydrophobicContact CG-CE1 3.99Å; R233-Y238 HydrophobicContact CG-CE2 4.08Å
234	T	63.5	Low	70.1	Confident	52 Å²	52	72 Å²	72	32%	0.319	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	165.8	-173.7	50.7	0	0	0	0	111.3	L232 Y238 D250 M252	L232-T234 HydrophobicContact CB-CG2 4.44Å; L232-T234 PolarHBondContact O-N 3.06Å; T234-Y238 WeakPolarHBondContact O-CD2 3.25Å; T234-D250 PolarHBondContact N-O 3.33Å; T234-D250 WeakPolarHBondContact O-CB 3.45Å; T234-M252 HydrophobicContact CG2-CG 4.48Å; T234-M252 HydrophobicContact CG2-SD 3.98Å
235	G	62.8	Low	68.6	Low	16 Å²	16	74.1 Å²	74.1	17%	0.165	38%	0.375	C	S	.	.	S	Bend	trans	83	177.3	167.1	0	0	0	0	0	115.2	Y237 Y238 E239	G235-Y237 PolarHBondContact O-N 2.94Å; G235-Y238 PolarHBondContact O-N 3.33Å; G235-E239 VanDerWaalsContact C-CD 3.46Å; G235-E239 WeakPolarHBondContact CA-OE1 3.45Å; G235-E239 PolarHBondContact N-OE1 2.83Å; G235-E239 PolarHBondContact O-N 3.39Å; G235-E239 VanDerWaalsContact O-N 3.15Å
236	S	58.2	Low	67.1	Low	42 Å²	42	75.5 Å²	75.5	29%	0.294	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-26.6	-157.4	66.8	0	0	0	0	116.1	N240 L241 K242	S236-N240 PolarHBondContact O-N 3.22Å; S236-L241 WeakPolarHBondContact O-CA 3.41Å; S236-L241 WeakPolarHBondContact O-CB 2.86Å; S236-L241 PolarHBondContact O-N 3.34Å; S236-K242 PolarHBondContact O-N 2.9Å
237	Y	71.1	Confident	65.8	Low	27 Å²	27	74.6 Å²	74.6	11%	0.106	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-48.7	176.5	178.7	-91.7	0	0	0	112.2	S204 G235 N240 K242 P246 E248 F249	S204-Y237 PolarHBondContact OG-OH 3.12Å; G235-Y237 PolarHBondContact O-N 2.94Å; Y237-N240 PolarHBondContact O-N 3.48Å; Y237-K242 HydrophobicContact CD2-CB 4.29Å; Y237-K242 HydrophobicContact CD2-CG 4.39Å; Y237-P246 HydrophobicContact CE2-CB 3.83Å; Y237-E248 WeakPolarHBondContact CB-O 3.24Å; Y237-F249 AromaticContact CD1-CD1 3.62Å; Y237-F249 HydrophobicContact CD1-CD1 3.62Å; Y237-F249 AromaticContact CD1-CE1 3.78Å; Y237-F249 HydrophobicContact CD1-CE1 3.78Å; Y237-F249 HydrophobicContact CD2-CD1 4.18Å; Y237-F249 AromaticContact CD2-CE1 3.89Å; Y237-F249 HydrophobicContact CD2-CE1 3.89Å; Y237-F249 HydrophobicContact CD2-CZ 4.4Å; Y237-F249 AromaticContact CE1-CD1 3.8Å; Y237-F249 HydrophobicContact CE1-CD1 3.8Å; Y237-F249 AromaticContact CE1-CE1 3.51Å; Y237-F249 HydrophobicContact CE1-CE1 3.51Å; Y237-F249 HydrophobicContact CE2-CD1 4.33Å; Y237-F249 AromaticContact CE2-CE1 3.62Å; Y237-F249 HydrophobicContact CE2-CE1 3.62Å; Y237-F249 HydrophobicContact CE2-CZ 4.06Å; Y237-F249 AromaticContact CG-CD1 3.83Å; Y237-F249 HydrophobicContact CG-CD1 3.83Å; Y237-F249 AromaticContact CG-CE1 3.97Å; Y237-F249 HydrophobicContact CG-CE1 3.97Å; Y237-F249 AromaticContact CZ-CE1 3.41Å; Y237-F249 VanDerWaalsContact CZ-CE1 3.41Å
238	Y	62.8	Low	64.6	Low	53 Å²	53	76.4 Å²	76.4	21%	0.208	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-24.6	-176.7	-62.1	-72.1	0	0	0	112	R233 T234 G235 N240 V251	R233-Y238 HydrophobicContact CB-CD1 3.88Å; R233-Y238 HydrophobicContact CB-CD2 3.67Å; R233-Y238 HydrophobicContact CB-CE1 4.01Å; R233-Y238 HydrophobicContact CB-CE2 3.79Å; R233-Y238 HydrophobicContact CB-CG 3.7Å; R233-Y238 HydrophobicContact CG-CD1 4.35Å; R233-Y238 HydrophobicContact CG-CD2 4.44Å; R233-Y238 HydrophobicContact CG-CE1 3.99Å; R233-Y238 HydrophobicContact CG-CE2 4.08Å; T234-Y238 WeakPolarHBondContact O-CD2 3.25Å; G235-Y238 PolarHBondContact O-N 3.33Å; Y238-N240 PolarHBondContact O-N 3.32Å; Y238-N240 PolarHBondContact O-ND2 3.15Å; Y238-V251 HydrophobicContact CE2-CG2 4.32Å
239	E	70.7	Confident	64	Low	111 Å²	111	78.7 Å²	78.7	52%	0.519	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	1.1	169	-67.5	154.8	-154.6	0	0	113.4	G235 L241	G235-E239 VanDerWaalsContact C-CD 3.46Å; G235-E239 WeakPolarHBondContact CA-OE1 3.45Å; G235-E239 PolarHBondContact N-OE1 2.83Å; G235-E239 PolarHBondContact O-N 3.39Å; G235-E239 VanDerWaalsContact O-N 3.15Å; E239-L241 VanDerWaalsContact C-N 3.29Å; E239-L241 HydrophobicContact CB-CD1 4.09Å; E239-L241 HydrophobicContact CB-CG 4Å; E239-L241 PolarHBondContact O-N 3.02Å
240	N	60.3	Low	63.9	Low	128 Å²	128	79 Å²	79	68%	0.684	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	20.6	-178.7	-60.5	-87.7	0	0	0	115.7	S236 Y237 Y238	S236-N240 PolarHBondContact O-N 3.22Å; Y237-N240 PolarHBondContact O-N 3.48Å; Y238-N240 PolarHBondContact O-N 3.32Å; Y238-N240 PolarHBondContact O-ND2 3.15Å
241	L	49.1	Very low	63.9	Low	122 Å²	122	74.2 Å²	74.2	64%	0.639	38%	0.38	S	S	*	.			trans	-88	-5.6	-179.2	-52.7	178.3	0	0	0	113.5	S236 E239	S236-L241 WeakPolarHBondContact O-CA 3.41Å; S236-L241 WeakPolarHBondContact O-CB 2.86Å; S236-L241 PolarHBondContact O-N 3.34Å; E239-L241 VanDerWaalsContact C-N 3.29Å; E239-L241 HydrophobicContact CB-CD1 4.09Å; E239-L241 HydrophobicContact CB-CG 4Å; E239-L241 PolarHBondContact O-N 3.02Å
242	K	54.5	Low	63.7	Low	61 Å²	61	78.5 Å²	78.5	27%	0.265	40%	0.4	S	S	.	.			trans	-89.9	134.1	-178.1	-164.4	74.4	173.7	175.7	0	112.4	S236 Y237 D247 E248	S236-K242 PolarHBondContact O-N 2.9Å; Y237-K242 HydrophobicContact CD2-CB 4.29Å; Y237-K242 HydrophobicContact CD2-CG 4.39Å; K242-D247 WeakPolarHBondContact CE-OD1 3.33Å; K242-D247 IonicContact NZ-OD1 2.69Å; K242-E248 IonicContact NZ-OE1 3.14Å; K242-E248 PolarHBondContact NZ-OE1 3.21Å; K242-E248 IonicContact NZ-OE2 3.28Å; K242-E248 PolarHBondContact NZ-OE2 3.17Å
243	I	47.7	Very low	64	Low	132 Å²	132	75.9 Å²	75.9	68%	0.677	39%	0.386	S	S	*	.			trans	-117.3	151.6	-173.4	62.3	171	0	0	0	115.2	D245	I243-D245 PolarHBondContact O-N 2.7Å
244	L	44.8	Very low	64.1	Low	135 Å²	135	71.8 Å²	71.8	71%	0.707	38%	0.375	S	S	*	.	S	Bend	trans	65.8	-36.6	169.5	-59	164.4	0	0	0	118.2
245	D	54.8	Low	64.9	Low	50 Å²	50	71.4 Å²	71.4	27%	0.267	37%	0.37	S	S	.	.	S	Bend	trans	-143.2	150.1	170	-80.3	-75.1	0	0	0	111.3	I243 D247 K377 K381	I243-D245 PolarHBondContact O-N 2.7Å; D245-D247 PolarHBondContact O-N 2.83Å; D245-K377 WeakPolarHBondContact OD1-CE 3.21Å; D245-K377 IonicContact OD1-NZ 2.66Å; D245-K377 WeakPolarHBondContact OD2-CE 3.11Å; D245-K377 IonicContact OD2-NZ 3.97Å; D245-K381 VanDerWaalsContact OD2-CD 3.24Å; D245-K381 WeakPolarHBondContact OD2-CD 3.3Å; D245-K381 WeakPolarHBondContact OD2-CE 3.38Å; D245-K381 IonicContact OD2-NZ 2.74Å; D245-K381 PolarHBondContact OD2-NZ 2.83Å
246	P	58.2	Low	65.8	Low	33 Å²	33	73.7 Å²	73.7	21%	0.214	38%	0.383	C	S	.	.			trans	-84.5	98.7	168.3	32.5	-32.3	0	0	0	111.4	T203 Y237 F249	T203-P246 HydrophobicContact CG2-CB 3.9Å; T203-P246 HydrophobicContact CG2-CG 3.72Å; Y237-P246 HydrophobicContact CE2-CB 3.83Å; P246-F249 HydrophobicContact CB-CZ 3.97Å
247	D	59.3	Low	66.7	Low	71 Å²	71	74.9 Å²	74.9	38%	0.38	39%	0.388	S	S	.	.			trans	-137	-7.5	-177.6	42.7	28.6	0	0	0	118.4	K242 D245 K377	K242-D247 WeakPolarHBondContact CE-OD1 3.33Å; K242-D247 IonicContact NZ-OD1 2.69Å; D245-D247 PolarHBondContact O-N 2.83Å; D247-K377 IonicContact OD2-NZ 3.73Å; D247-K377 PolarHBondContact OD2-NZ 3.29Å
248	E	61.9	Low	66.9	Low	109 Å²	109	80.4 Å²	80.4	51%	0.509	42%	0.415	S	S	.	.			trans	-131.7	140.4	173.5	-76.3	154.1	-129.7	0	0	109.1	Y237 K242	Y237-E248 WeakPolarHBondContact CB-O 3.24Å; K242-E248 IonicContact NZ-OE1 3.14Å; K242-E248 PolarHBondContact NZ-OE1 3.21Å; K242-E248 IonicContact NZ-OE2 3.28Å; K242-E248 PolarHBondContact NZ-OE2 3.17Å
249	F	74.2	Confident	67.6	Low	51 Å²	51	86.3 Å²	86.3	22%	0.224	44%	0.436	C	S	.	.			trans	-150.9	118.5	-172.6	-57.2	-99.3	0	0	0	109	T203 V207 Y237 P246	T203-F249 HydrophobicContact CG2-CZ 4.09Å; V207-F249 HydrophobicContact CB-CD1 4.22Å; V207-F249 HydrophobicContact CB-CE1 4.14Å; V207-F249 HydrophobicContact CB-CZ 4.45Å; V207-F249 HydrophobicContact CG1-CB 4.28Å; V207-F249 HydrophobicContact CG1-CD1 3.86Å; V207-F249 HydrophobicContact CG1-CE1 4.29Å; V207-F249 HydrophobicContact CG1-CG 4.03Å; V207-F249 HydrophobicContact CG2-CD1 3.97Å; V207-F249 HydrophobicContact CG2-CD2 3.86Å; V207-F249 HydrophobicContact CG2-CE1 3.71Å; V207-F249 HydrophobicContact CG2-CE2 3.65Å; V207-F249 HydrophobicContact CG2-CG 4.03Å; V207-F249 HydrophobicContact CG2-CZ 3.55Å; Y237-F249 AromaticContact CD1-CD1 3.62Å; Y237-F249 HydrophobicContact CD1-CD1 3.62Å; Y237-F249 AromaticContact CD1-CE1 3.78Å; Y237-F249 HydrophobicContact CD1-CE1 3.78Å; Y237-F249 HydrophobicContact CD2-CD1 4.18Å; Y237-F249 AromaticContact CD2-CE1 3.89Å; Y237-F249 HydrophobicContact CD2-CE1 3.89Å; Y237-F249 HydrophobicContact CD2-CZ 4.4Å; Y237-F249 AromaticContact CE1-CD1 3.8Å; Y237-F249 HydrophobicContact CE1-CD1 3.8Å; Y237-F249 AromaticContact CE1-CE1 3.51Å; Y237-F249 HydrophobicContact CE1-CE1 3.51Å; Y237-F249 HydrophobicContact CE2-CD1 4.33Å; Y237-F249 AromaticContact CE2-CE1 3.62Å; Y237-F249 HydrophobicContact CE2-CE1 3.62Å; Y237-F249 HydrophobicContact CE2-CZ 4.06Å; Y237-F249 AromaticContact CG-CD1 3.83Å; Y237-F249 HydrophobicContact CG-CD1 3.83Å; Y237-F249 AromaticContact CG-CE1 3.97Å; Y237-F249 HydrophobicContact CG-CE1 3.97Å; Y237-F249 AromaticContact CZ-CE1 3.41Å; Y237-F249 VanDerWaalsContact CZ-CE1 3.41Å; P246-F249 HydrophobicContact CB-CZ 3.97Å
250	D	74.9	Confident	68.2	Low	85 Å²	85	83.5 Å²	83.5	46%	0.455	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	131.7	174.9	-50	-70	0	0	0	109.5	T234	T234-D250 PolarHBondContact N-O 3.33Å; T234-D250 WeakPolarHBondContact O-CB 3.45Å
251	V	79.3	Confident	69.3	Low	45 Å²	45	81.1 Å²	81.1	27%	0.273	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	125.6	-177.4	-176.8	0	0	0	0	109.5	I211 P231 Y238 L253	I211-V251 HydrophobicContact CD1-CB 4.26Å; I211-V251 HydrophobicContact CD1-CG1 4.21Å; I211-V251 HydrophobicContact CD1-CG2 4.16Å; I211-V251 HydrophobicContact CG1-CG2 4.3Å; I211-V251 HydrophobicContact CG2-CG1 4.32Å; P231-V251 HydrophobicContact CB-CG1 3.62Å; Y238-V251 HydrophobicContact CE2-CG2 4.32Å; V251-L253 HydrophobicContact CG1-CD2 4.27Å
252	M	77.3	Confident	70.9	Confident	109 Å²	109	78.8 Å²	78.8	54%	0.537	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	138.8	169.6	-55	171.5	63.3	0	0	109.5	P231 L232 T234	P231-M252 CarbonylContact C-O 3.53Å; P231-M252 WeakPolarHBondContact CA-O 3.35Å; L232-M252 HydrophobicContact CB-CB 4.24Å; L232-M252 PolarHBondContact N-O 2.82Å; L232-M252 PolarHBondContact O-N 2.84Å; T234-M252 HydrophobicContact CG2-CG 4.48Å; T234-M252 HydrophobicContact CG2-SD 3.98Å
253	L	81.6	Confident	72.3	Confident	40 Å²	40	80.5 Å²	80.5	21%	0.209	41%	0.411	C	S	.	.			trans	-108.1	104.3	171.5	-61.9	-175	0	0	0	107.8	I211 L214 I215 L218 V228 P231 V251 F301	I211-L253 HydrophobicContact CG2-CD2 4.49Å; L214-L253 HydrophobicContact CD2-CD1 4.11Å; L214-L253 HydrophobicContact CG-CD1 4.49Å; I215-L253 HydrophobicContact CD1-CD2 3.9Å; I215-L253 HydrophobicContact CG1-CD2 4.01Å; L218-L253 HydrophobicContact CD1-CD1 4Å; V228-L253 HydrophobicContact CG2-CB 3.87Å; P231-L253 HydrophobicContact CB-CD2 3.81Å; V251-L253 HydrophobicContact CG1-CD2 4.27Å; L253-F301 HydrophobicContact CD1-CE2 4.01Å; L253-F301 HydrophobicContact CD1-CZ 4.04Å
254	P	79.7	Confident	73.9	Confident	36 Å²	36	78.7 Å²	78.7	23%	0.234	41%	0.408	C	S	.	.			trans	-74.4	142.9	-178.6	-6.7	23.3	0	0	0	110.6	V228 D229 E230 L232	V228-P254 WeakPolarHBondContact CG2-O 3.24Å; D229-P254 HydrophobicContact CB-CB 3.94Å; D229-P254 HydrophobicContact CB-CG 3.97Å; D229-P254 PolarHBondContact N-O 2.68Å; E230-P254 WeakPolarHBondContact O-CD 3.31Å; L232-P254 HydrophobicContact CD1-CG 3.87Å; L232-P254 HydrophobicContact CG-CG 3.79Å
255	M	80.5	Confident	75.2	Confident	43 Å²	43	77.9 Å²	77.9	21%	0.212	40%	0.399	C	S	.	.			trans	-113.4	110.4	167.8	-69.9	-59.7	-48.5	0	0	107.6	C224 F225 V228 V257 L283 M297	C224-M255 WeakPolarHBondContact O-CE 3.34Å; F225-M255 HydrophobicContact CD1-CE 4.43Å; F225-M255 HydrophobicContact CD1-SD 4.11Å; V228-M255 HydrophobicContact CB-SD 3.55Å; V228-M255 VanDerWaalsContact CB-SD 3.55Å; V228-M255 HydrophobicContact CG2-SD 3.82Å; M255-V257 PolarHBondContact O-N 2.89Å; M255-L283 HydrophobicContact CE-CD2 4.47Å; M255-M297 HydrophobicContact CB-CE 4.13Å; M255-M297 HydrophobicContact CG-CE 3.76Å
256	P	80.4	Confident	75.9	Confident	65 Å²	65	84.3 Å²	84.3	42%	0.422	42%	0.42	S	S	.	.			trans	-67.3	133.3	178.2	26.7	-32.2	0	0	0	110.1	D227 D229	D227-P256 HydrophobicContact CB-CG 4.49Å; D227-P256 WeakPolarHBondContact O-CD 3.2Å; D227-P256 WeakPolarHBondContact O-CG 3.19Å; D229-P256 WeakPolarHBondContact OD2-CD 3.4Å
257	V	77.5	Confident	76.4	Confident	66 Å²	66	92.6 Å²	92.6	40%	0.4	46%	0.456	S	S	.	.			trans	-130.7	117.1	177.6	-73.5	0	0	0	0	110.7	M255 V260 L276 L283	M255-V257 PolarHBondContact O-N 2.89Å; V257-V260 HydrophobicContact CB-CG1 4.17Å; V257-V260 HydrophobicContact CG2-CG1 3.97Å; V257-L276 HydrophobicContact CB-CD2 4.27Å; V257-L276 HydrophobicContact CG1-CD2 4.15Å; V257-L283 HydrophobicContact CG1-CD1 3.71Å
258	E	75.1	Confident	76.7	Confident	144 Å²	144	94.1 Å²	94.1	67%	0.673	46%	0.463	S	S	*	.			trans	-82.8	147.5	172.8	-81.1	-160.9	-153.5	0	0	112	V260	E258-V260 PolarHBondContact O-N 3.28Å
259	R	78.1	Confident	77	Confident	176 Å²	176	91 Å²	91	66%	0.664	46%	0.46	S	S	*	.	S	Bend	trans	54.7	44.8	162.1	-55.8	167.9	-162.9	-147.6	-2.8	114.7	K277	R259-K277 HydrophobicContact CB-CB 4.3Å; R259-K277 VanDerWaalsContact O-CB 3.22Å; R259-K277 WeakPolarHBondContact O-CB 3.32Å; R259-K277 WeakPolarHBondContact O-CG 3.28Å; R259-K277 PolarHBondContact O-N 2.72Å
260	V	82.4	Confident	76.8	Confident	53 Å²	53	92 Å²	92	32%	0.321	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	144.6	172.5	-71.5	0	0	0	0	112.9	V257 E258 V262 V274 A275 L276	V257-V260 HydrophobicContact CB-CG1 4.17Å; V257-V260 HydrophobicContact CG2-CG1 3.97Å; E258-V260 PolarHBondContact O-N 3.28Å; V260-V262 HydrophobicContact CB-CG2 4.04Å; V260-V262 HydrophobicContact CG2-CG2 3.71Å; V260-V274 HydrophobicContact CB-CG1 4.04Å; V260-V274 HydrophobicContact CG1-CG1 3.68Å; V260-A275 CarbonylContact C-O 3.55Å; V260-A275 VanDerWaalsContact CA-O 3.27Å; V260-A275 WeakPolarHBondContact CA-O 3.28Å; V260-L276 HydrophobicContact CG1-CD2 4.12Å
261	Q	83.4	Confident	76.8	Confident	77 Å²	77	93.7 Å²	93.7	36%	0.36	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	140.6	150.2	-166	140.7	-49.8	0	0	107.7	E263 V274 A275	Q261-E263 HydrophobicContact CG-CG 4.22Å; Q261-E263 PolarHBondContact NE2-OE1 3.16Å; Q261-V274 CarbonylContact O-C 3.46Å; Q261-V274 WeakPolarHBondContact O-CA 3.41Å; Q261-A275 HydrophobicContact CB-CB 3.95Å; Q261-A275 PolarHBondContact N-O 3.35Å; Q261-A275 PolarHBondContact O-N 2.63Å
262	V	84.4	Confident	76.9	Confident	73 Å²	73	97.1 Å²	97.1	44%	0.442	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	119.4	-178.9	-176.7	0	0	0	0	107.4	V260 Y272 S273	V260-V262 HydrophobicContact CB-CG2 4.04Å; V260-V262 HydrophobicContact CG2-CG2 3.71Å; V262-Y272 HydrophobicContact CG1-CD1 3.47Å; V262-Y272 VanDerWaalsContact CG1-CD1 3.47Å; V262-Y272 HydrophobicContact CG1-CD2 4.44Å; V262-Y272 HydrophobicContact CG1-CE1 4.21Å; V262-Y272 HydrophobicContact CG1-CG 3.59Å; V262-S273 WeakPolarHBondContact CA-O 3.49Å
263	E	82.9	Confident	77.3	Confident	97 Å²	97	93.5 Å²	93.5	45%	0.453	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	131.2	-172.9	-70.3	178.7	-174.6	0	0	110.6	Q261 F265 Y272 S273	Q261-E263 HydrophobicContact CG-CG 4.22Å; Q261-E263 PolarHBondContact NE2-OE1 3.16Å; E263-F265 PolarHBondContact O-N 3.22Å; E263-Y272 CarbonylContact O-C 3.4Å; E263-Y272 WeakPolarHBondContact O-CA 3.31Å; E263-Y272 WeakPolarHBondContact O-CB 3.4Å; E263-S273 PolarHBondContact N-O 2.86Å; E263-S273 PolarHBondContact O-N 2.87Å; E263-S273 PolarHBondContact O-OG 3.19Å
264	P	81.5	Confident	77.5	Confident	95 Å²	95	93.8 Å²	93.8	62%	0.617	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62	121.5	-176	-25	34.8	0	0	0	113.4	R266 Y272	P264-R266 PolarHBondContact O-N 3.05Å; P264-Y272 HydrophobicContact CB-CE1 4.5Å; P264-Y272 HydrophobicContact CG-CD1 4.47Å; P264-Y272 HydrophobicContact CG-CE1 4.28Å
265	F	70.9	Confident	77.7	Confident	117 Å²	117	92.8 Å²	92.8	51%	0.513	47%	0.474	S	S	.	.	S	Bend	trans	-91.2	87.8	173.7	-172.1	-100.1	0	0	0	109.7	E263 F271	E263-F265 PolarHBondContact O-N 3.22Å; F265-F271 HydrophobicContact CB-CB 4.14Å; F265-F271 HydrophobicContact CD1-CB 4.31Å; F265-F271 PolarHBondContact N-O 3.33Å
266	R	70.9	Confident	77.9	Confident	186 Å²	186	91.1 Å²	91.1	70%	0.702	47%	0.466	S	S	*	.	S	Bend	trans	77.3	168.4	-173.3	-48.5	166.7	179.8	-102.1	-1.1	113.7	P264 N268	P264-R266 PolarHBondContact O-N 3.05Å; R266-N268 PolarHBondContact O-N 3.34Å; R266-N268 VanDerWaalsContact O-N 3.14Å
267	E	68.3	Low	77.9	Confident	207 Å²	207	92.9 Å²	92.9	97%	0.967	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-8.5	-169.9	-63.4	168.6	-166.4	0	0	115	G269	E267-G269 PolarHBondContact O-N 2.89Å
268	N	64.5	Low	77.5	Confident	102 Å²	102	101.6 Å²	101.6	55%	0.545	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	9.8	-171	62	-14.8	0	0	0	115.1	R266 A270	R266-N268 PolarHBondContact O-N 3.34Å; R266-N268 VanDerWaalsContact O-N 3.14Å; N268-A270 PolarHBondContact O-N 3.24Å
269	G	70.2	Confident	77	Confident	43 Å²	43	97 Å²	97	44%	0.443	48%	0.484	S	S	.	.	S	Bend	trans	65.6	-4.7	159.5	0	0	0	0	0	118.6	E267 Y272	E267-G269 PolarHBondContact O-N 2.89Å; G269-Y272 PolarHBondContact O-OH 2.76Å
270	A	69.1	Low	76.4	Confident	72 Å²	72	96.6 Å²	96.6	60%	0.595	50%	0.495	S	S	*	.	S	Bend	trans	-106.2	-10.1	-177.9	0	0	0	0	0	113.9	N268	N268-A270 PolarHBondContact O-N 3.24Å
271	F	75.9	Confident	76.3	Confident	121 Å²	121	96.1 Å²	96.1	53%	0.531	49%	0.494	S	S	.	.			trans	-122.9	142.3	-175.7	-57.9	-81.1	0	0	0	110.4	F265	F265-F271 HydrophobicContact CB-CB 4.14Å; F265-F271 HydrophobicContact CD1-CB 4.31Å; F265-F271 PolarHBondContact N-O 3.33Å
272	Y	81.2	Confident	76.3	Confident	118 Å²	118	95.9 Å²	95.9	46%	0.463	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	146.3	-173.5	-58.1	-90.5	0	0	0	111.2	V262 E263 P264 G269	V262-Y272 HydrophobicContact CG1-CD1 3.47Å; V262-Y272 VanDerWaalsContact CG1-CD1 3.47Å; V262-Y272 HydrophobicContact CG1-CD2 4.44Å; V262-Y272 HydrophobicContact CG1-CE1 4.21Å; V262-Y272 HydrophobicContact CG1-CG 3.59Å; E263-Y272 CarbonylContact O-C 3.4Å; E263-Y272 WeakPolarHBondContact O-CA 3.31Å; E263-Y272 WeakPolarHBondContact O-CB 3.4Å; P264-Y272 HydrophobicContact CB-CE1 4.5Å; P264-Y272 HydrophobicContact CG-CD1 4.47Å; P264-Y272 HydrophobicContact CG-CE1 4.28Å; G269-Y272 PolarHBondContact O-OH 2.76Å
273	S	85.1	Confident	76.3	Confident	33 Å²	33	92.6 Å²	92.6	23%	0.231	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	147.6	153.4	36.8	0	0	0	0	109.2	V262 E263	V262-S273 WeakPolarHBondContact CA-O 3.49Å; E263-S273 PolarHBondContact N-O 2.86Å; E263-S273 PolarHBondContact O-N 2.87Å; E263-S273 PolarHBondContact O-OG 3.19Å
274	V	84.8	Confident	76.4	Confident	45 Å²	45	91.5 Å²	91.5	27%	0.273	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	134.4	179.2	179.4	0	0	0	0	108.5	V260 Q261 L292	V260-V274 HydrophobicContact CB-CG1 4.04Å; V260-V274 HydrophobicContact CG1-CG1 3.68Å; Q261-V274 CarbonylContact O-C 3.46Å; Q261-V274 WeakPolarHBondContact O-CA 3.41Å; V274-L292 WeakPolarHBondContact O-CB 3.14Å; V274-L292 PolarHBondContact O-N 3.07Å
275	A	85.4	Confident	76.7	Confident	15 Å²	15	92.6 Å²	92.6	12%	0.124	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	140.1	170.9	0	0	0	0	0	110	V260 Q261 D290	V260-A275 CarbonylContact C-O 3.55Å; V260-A275 VanDerWaalsContact CA-O 3.27Å; V260-A275 WeakPolarHBondContact CA-O 3.28Å; Q261-A275 HydrophobicContact CB-CB 3.95Å; Q261-A275 PolarHBondContact N-O 3.35Å; Q261-A275 PolarHBondContact O-N 2.63Å; A275-D290 WeakPolarHBondContact CB-O 3.35Å
276	L	84.5	Confident	77.5	Confident	9 Å²	9	87.3 Å²	87.3	5%	0.047	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	126.8	168.4	-58.4	172.8	0	0	0	108.5	V257 V260 L283 M284 Q287 L292	V257-L276 HydrophobicContact CB-CD2 4.27Å; V257-L276 HydrophobicContact CG1-CD2 4.15Å; V260-L276 HydrophobicContact CG1-CD2 4.12Å; L276-L283 HydrophobicContact CD1-CB 3.83Å; L276-M284 HydrophobicContact CB-SD 3.58Å; L276-M284 VanDerWaalsContact CB-SD 3.58Å; L276-M284 HydrophobicContact CD1-CG 4.4Å; L276-M284 HydrophobicContact CD1-SD 3.88Å; L276-M284 HydrophobicContact CG-SD 4.37Å; L276-Q287 PolarHBondContact O-NE2 2.68Å; L276-Q287 VanDerWaalsContact O-NE2 3.17Å; L276-L292 HydrophobicContact CD1-CD1 3.9Å; L276-L292 HydrophobicContact CD1-CD2 4.34Å; L276-L292 HydrophobicContact CD2-CD2 4.34Å; L276-L292 HydrophobicContact CG-CD1 4.38Å; L276-L292 HydrophobicContact CG-CD2 4.25Å
277	K	79.4	Confident	78.3	Confident	102 Å²	102	79.9 Å²	79.9	44%	0.443	41%	0.413	S	S	.	.			trans	-81.4	158.9	172.9	-62.2	-179.8	-177.4	-162.4	0	110.2	R259 G279	R259-K277 HydrophobicContact CB-CB 4.3Å; R259-K277 VanDerWaalsContact O-CB 3.22Å; R259-K277 WeakPolarHBondContact O-CB 3.32Å; R259-K277 WeakPolarHBondContact O-CG 3.28Å; R259-K277 PolarHBondContact O-N 2.72Å; K277-G279 PolarHBondContact O-N 2.74Å; K277-G279 VanDerWaalsContact O-N 3.12Å
278	R	68.4	Low	79	Confident	248 Å²	248	74.8 Å²	74.8	94%	0.936	39%	0.39	S	S	*	.	S	Bend	trans	-40.7	114.6	-174.7	-67.5	-177	179.4	177.5	0.1	113.1
279	G	65	Low	79.9	Confident	47 Å²	47	77.7 Å²	77.7	49%	0.485	41%	0.405	S	S	.	.	S	Bend	trans	177.4	166.4	177.9	0	0	0	0	0	111.2	K277 S281	K277-G279 PolarHBondContact O-N 2.74Å; K277-G279 VanDerWaalsContact O-N 3.12Å; G279-S281 PolarHBondContact O-N 2.73Å
280	N	66.4	Low	80.5	Confident	169 Å²	169	81.3 Å²	81.3	90%	0.904	42%	0.415	S	S	*	.			trans	-82.2	40.4	-174.4	-67.7	1.8	0	0	0	113.3	H282	N280-H282 PolarHBondContact O-N 2.82Å
281	S	79.1	Confident	81.3	Confident	43 Å²	43	81.1 Å²	81.1	30%	0.301	41%	0.406	S	S	.	.			trans	-70.4	127.1	179.1	-179.1	0	0	0	0	110.9	G279 L283 M284	G279-S281 PolarHBondContact O-N 2.73Å; S281-L283 PolarHBondContact O-N 2.83Å; S281-L283 PolarHBondContact OG-N 3.26Å; S281-M284 WeakPolarHBondContact O-CB 3.42Å; S281-M284 WeakPolarHBondContact O-CG 3.4Å; S281-M284 PolarHBondContact O-N 3.18Å
282	H	83.8	Confident	81.8	Confident	71 Å²	71	76.5 Å²	76.5	33%	0.329	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-63.4	-11.2	175	-58.8	129	0	0	0	113.8	I223 D227 N280	I223-H282 HydrophobicContact CG2-CB 4.03Å; I223-H282 WeakPolarHBondContact CG2-CD2 3.46Å; I223-H282 VanDerWaalsContact O-CB 3.28Å; I223-H282 WeakPolarHBondContact O-CB 3.27Å; D227-H282 IonicContact OD1-ND1 2.82Å; D227-H282 IonicContact OD2-CE1 3.71Å; D227-H282 IonicContact OD2-CG 2.67Å; D227-H282 IonicContact OD2-ND1 3.92Å; D227-H282 PolarHBondContact OD2-ND1 2.75Å; N280-H282 PolarHBondContact O-N 2.82Å
283	L	85.1	Confident	82.2	Confident	5 Å²	5	71.9 Å²	71.9	3%	0.026	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-82.1	-9.8	173.3	-62.1	179.9	0	0	0	113.8	C224 M255 V257 L276 S281 K285 F286 L292 M297	C224-L283 HydrophobicContact CB-CD2 4.35Å; C224-L283 WeakPolarHBondContact O-CD2 3.28Å; M255-L283 HydrophobicContact CE-CD2 4.47Å; V257-L283 HydrophobicContact CG1-CD1 3.71Å; L276-L283 HydrophobicContact CD1-CB 3.83Å; S281-L283 PolarHBondContact O-N 2.83Å; S281-L283 PolarHBondContact OG-N 3.26Å; L283-K285 PolarHBondContact O-N 3.32Å; L283-F286 HydrophobicContact CD2-CD2 4.01Å; L283-F286 HydrophobicContact CD2-CE2 3.9Å; L283-F286 PolarHBondContact O-N 3.34Å; L283-L292 HydrophobicContact CB-CD1 4.42Å; L283-M297 HydrophobicContact CD1-CE 3.81Å; L283-M297 HydrophobicContact CD1-SD 4.27Å; L283-M297 HydrophobicContact CD2-CE 3.6Å; L283-M297 HydrophobicContact CD2-SD 4Å; L283-M297 HydrophobicContact CG-CE 4.38Å
284	M	84.6	Confident	82	Confident	73 Å²	73	73.8 Å²	73.8	36%	0.36	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-55.1	-25.5	177.3	-73.5	-62.1	-59.7	0	0	113.3	L276 S281 F286 Q287	L276-M284 HydrophobicContact CB-SD 3.58Å; L276-M284 VanDerWaalsContact CB-SD 3.58Å; L276-M284 HydrophobicContact CD1-CG 4.4Å; L276-M284 HydrophobicContact CD1-SD 3.88Å; L276-M284 HydrophobicContact CG-SD 4.37Å; S281-M284 WeakPolarHBondContact O-CB 3.42Å; S281-M284 WeakPolarHBondContact O-CG 3.4Å; S281-M284 PolarHBondContact O-N 3.18Å; M284-F286 PolarHBondContact O-N 2.69Å; M284-F286 VanDerWaalsContact O-N 3.13Å; M284-Q287 HydrophobicContact CE-CB 4.47Å; M284-Q287 PolarHBondContact O-N 2.9Å
285	K	87.5	Confident	81.7	Confident	118 Å²	118	75.7 Å²	75.7	51%	0.513	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-61.6	-15.5	174.2	66.5	160.9	-71.7	-174.6	0	114.7	C224 L283 E300	C224-K285 HydrophobicContact CB-CD 3.86Å; C224-K285 HydrophobicContact CB-CG 4.39Å; L283-K285 PolarHBondContact O-N 3.32Å; K285-E300 IonicContact NZ-OE1 3.02Å; K285-E300 PolarHBondContact NZ-OE1 3.44Å; K285-E300 IonicContact NZ-OE2 2.69Å; K285-E300 PolarHBondContact NZ-OE2 3.31Å
286	F	87.6	Confident	81.7	Confident	6 Å²	6	78.8 Å²	78.8	3%	0.026	42%	0.416	C	S	.	.	G	3₁₀ helix	trans	-103.4	3	176.5	-53.1	-63	0	0	0	112.1	C224 F225 L283 M284 L292 S293 E296 M297 E300	C224-F286 HydrophobicContact CB-CE2 3.78Å; C224-F286 HydrophobicContact CB-CZ 4.12Å; F225-F286 HydrophobicContact CZ-CE2 4.48Å; F225-F286 HydrophobicContact CZ-CZ 4.31Å; L283-F286 HydrophobicContact CD2-CD2 4.01Å; L283-F286 HydrophobicContact CD2-CE2 3.9Å; L283-F286 PolarHBondContact O-N 3.34Å; M284-F286 PolarHBondContact O-N 2.69Å; M284-F286 VanDerWaalsContact O-N 3.13Å; F286-L292 HydrophobicContact CB-CD1 3.88Å; F286-S293 WeakPolarHBondContact O-CB 3.09Å; F286-S293 PolarHBondContact O-N 2.9Å; F286-E296 HydrophobicContact CD1-CB 4.06Å; F286-M297 HydrophobicContact CB-CB 4.43Å; F286-M297 HydrophobicContact CD1-CB 4.32Å; F286-M297 HydrophobicContact CD2-CB 3.75Å; F286-M297 HydrophobicContact CD2-CG 3.88Å; F286-M297 HydrophobicContact CD2-SD 4.49Å; F286-M297 HydrophobicContact CE2-CB 3.95Å; F286-M297 HydrophobicContact CE2-CG 3.8Å; F286-M297 HydrophobicContact CG-CB 3.94Å; F286-M297 HydrophobicContact CZ-CB 4.33Å; F286-M297 HydrophobicContact CZ-CG 4.43Å; F286-E300 HydrophobicContact CE1-CB 4.04Å; F286-E300 HydrophobicContact CZ-CB 4.06Å; F286-E300 HydrophobicContact CZ-CG 4.4Å; F286-E300 WeakPolarHBondContact CZ-OE1 3.37Å
287	Q	87.8	Confident	81.8	Confident	30 Å²	30	80 Å²	80	14%	0.14	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	121.4	176.8	-175.8	150.8	-48.1	0	0	110.5	L276 M284 D290 V291	L276-Q287 PolarHBondContact O-NE2 2.68Å; L276-Q287 VanDerWaalsContact O-NE2 3.17Å; M284-Q287 HydrophobicContact CE-CB 4.47Å; M284-Q287 PolarHBondContact O-N 2.9Å; Q287-D290 PolarHBondContact NE2-OD1 3.11Å; Q287-V291 WeakPolarHBondContact CA-O 3.47Å
288	Q	83.5	Confident	82	Confident	101 Å²	101	78.7 Å²	78.7	47%	0.472	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	129.4	175.7	-57.7	-171.9	18.9	0	0	108.9	D290 V291 E296	Q288-D290 PolarHBondContact O-N 2.89Å; Q288-V291 PolarHBondContact N-O 3.2Å; Q288-V291 PolarHBondContact O-N 2.85Å; Q288-E296 PolarHBondContact NE2-OE1 3.47Å; Q288-E296 PolarHBondContact NE2-OE2 3.29Å
289	N	83.9	Confident	82.8	Confident	162 Å²	162	70.8 Å²	70.8	87%	0.866	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	44.1	-179.1	-52.4	-39.8	0	0	0	113	V291	N289-V291 PolarHBondContact O-N 3.45Å
290	D	82	Confident	83.9	Confident	120 Å²	120	70.9 Å²	70.9	64%	0.642	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	30.7	-174.2	-68	-42.1	0	0	0	116.1	A275 Q287 Q288	A275-D290 WeakPolarHBondContact CB-O 3.35Å; Q287-D290 PolarHBondContact NE2-OD1 3.11Å; Q288-D290 PolarHBondContact O-N 2.89Å
291	V	85.7	Confident	84.9	Confident	67 Å²	67	65.7 Å²	65.7	41%	0.406	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	130.5	165.5	-175.7	0	0	0	0	110.7	Q287 Q288 N289 S293	Q287-V291 WeakPolarHBondContact CA-O 3.47Å; Q288-V291 PolarHBondContact N-O 3.2Å; Q288-V291 PolarHBondContact O-N 2.85Å; N289-V291 PolarHBondContact O-N 3.45Å; V291-S293 PolarHBondContact O-N 3.45Å
292	L	86.8	Confident	85.2	Confident	25 Å²	25	69.4 Å²	69.4	13%	0.131	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	113.3	175.5	-173.8	66.5	0	0	0	110.4	V274 L276 L283 F286 A294	V274-L292 WeakPolarHBondContact O-CB 3.14Å; V274-L292 PolarHBondContact O-N 3.07Å; L276-L292 HydrophobicContact CD1-CD1 3.9Å; L276-L292 HydrophobicContact CD1-CD2 4.34Å; L276-L292 HydrophobicContact CD2-CD2 4.34Å; L276-L292 HydrophobicContact CG-CD1 4.38Å; L276-L292 HydrophobicContact CG-CD2 4.25Å; L283-L292 HydrophobicContact CB-CD1 4.42Å; F286-L292 HydrophobicContact CB-CD1 3.88Å; L292-A294 PolarHBondContact O-N 3.18Å
293	S	90.1	Very high	85.3	Confident	21 Å²	21	69.3 Å²	69.3	15%	0.147	36%	0.36	C	S	.	.			trans	-73.4	85.7	-176.7	-175.3	0	0	0	0	111.8	F286 V291 S295 E296 M297	F286-S293 WeakPolarHBondContact O-CB 3.09Å; F286-S293 PolarHBondContact O-N 2.9Å; V291-S293 PolarHBondContact O-N 3.45Å; S293-S295 PolarHBondContact O-N 3.26Å; S293-S295 VanDerWaalsContact O-N 3.14Å; S293-S295 PolarHBondContact OG-OG 3.19Å; S293-E296 WeakPolarHBondContact CB-OE2 3.49Å; S293-E296 PolarHBondContact O-N 2.67Å; S293-E296 VanDerWaalsContact O-N 3.07Å; S293-E296 WeakPolarHBondContact OG-CB 3.28Å; S293-E296 VanDerWaalsContact OG-CD 3.27Å; S293-E296 VanDerWaalsContact OG-CG 3.24Å; S293-E296 WeakPolarHBondContact OG-CG 3.38Å; S293-E296 PolarHBondContact OG-N 2.69Å; S293-E296 PolarHBondContact OG-OE2 3.5Å; S293-M297 PolarHBondContact O-N 3.15Å
294	A	81.2	Confident	85.4	Confident	72 Å²	72	69.6 Å²	69.6	60%	0.595	36%	0.361	S	S	*	.	H	α-helix	trans	-53.9	-31.8	173.7	0	0	0	0	0	112.4	L292 L298	L292-A294 PolarHBondContact O-N 3.18Å; A294-L298 WeakPolarHBondContact O-CB 3.42Å; A294-L298 PolarHBondContact O-N 2.82Å
295	S	77	Confident	85.4	Confident	86 Å²	86	68.1 Å²	68.1	60%	0.601	36%	0.356	S	S	*	.	H	α-helix	trans	-64.4	-45.1	174.5	32	0	0	0	0	113.6	S293 Q299	S293-S295 PolarHBondContact O-N 3.26Å; S293-S295 VanDerWaalsContact O-N 3.14Å; S293-S295 PolarHBondContact OG-OG 3.19Å; S295-Q299 VanDerWaalsContact O-CB 3.23Å; S295-Q299 WeakPolarHBondContact O-CB 3.06Å; S295-Q299 PolarHBondContact O-N 3.43Å
296	E	86.5	Confident	84.9	Confident	79 Å²	79	68.2 Å²	68.2	37%	0.369	36%	0.357	S	S	.	.	H	α-helix	trans	-76.9	-42.7	-178.6	-71.2	168.7	146.4	0	0	111.2	F286 Q288 S293 L298 Q299 E300	F286-E296 HydrophobicContact CD1-CB 4.06Å; Q288-E296 PolarHBondContact NE2-OE1 3.47Å; Q288-E296 PolarHBondContact NE2-OE2 3.29Å; S293-E296 WeakPolarHBondContact CB-OE2 3.49Å; S293-E296 PolarHBondContact O-N 2.67Å; S293-E296 VanDerWaalsContact O-N 3.07Å; S293-E296 WeakPolarHBondContact OG-CB 3.28Å; S293-E296 VanDerWaalsContact OG-CD 3.27Å; S293-E296 VanDerWaalsContact OG-CG 3.24Å; S293-E296 WeakPolarHBondContact OG-CG 3.38Å; S293-E296 PolarHBondContact OG-N 2.69Å; S293-E296 PolarHBondContact OG-OE2 3.5Å; E296-L298 VanDerWaalsContact C-N 3.31Å; E296-L298 PolarHBondContact O-N 3.45Å; E296-Q299 PolarHBondContact O-N 2.8Å; E296-Q299 VanDerWaalsContact O-N 3.12Å; E296-E300 PolarHBondContact O-N 2.97Å
297	M	86.3	Confident	84.4	Confident	35 Å²	35	74.2 Å²	74.2	17%	0.172	38%	0.383	C	S	.	.	H	α-helix	trans	-56.1	-46.5	173	-177.1	179.4	174.3	0	0	111.1	F225 M255 L283 F286 S293 E300 F301	F225-M297 HydrophobicContact CE1-CE 4.16Å; F225-M297 HydrophobicContact CE1-CG 4.1Å; F225-M297 HydrophobicContact CZ-CG 4.48Å; M255-M297 HydrophobicContact CB-CE 4.13Å; M255-M297 HydrophobicContact CG-CE 3.76Å; L283-M297 HydrophobicContact CD1-CE 3.81Å; L283-M297 HydrophobicContact CD1-SD 4.27Å; L283-M297 HydrophobicContact CD2-CE 3.6Å; L283-M297 HydrophobicContact CD2-SD 4Å; L283-M297 HydrophobicContact CG-CE 4.38Å; F286-M297 HydrophobicContact CB-CB 4.43Å; F286-M297 HydrophobicContact CD1-CB 4.32Å; F286-M297 HydrophobicContact CD2-CB 3.75Å; F286-M297 HydrophobicContact CD2-CG 3.88Å; F286-M297 HydrophobicContact CD2-SD 4.49Å; F286-M297 HydrophobicContact CE2-CB 3.95Å; F286-M297 HydrophobicContact CE2-CG 3.8Å; F286-M297 HydrophobicContact CG-CB 3.94Å; F286-M297 HydrophobicContact CZ-CB 4.33Å; F286-M297 HydrophobicContact CZ-CG 4.43Å; S293-M297 PolarHBondContact O-N 3.15Å; M297-E300 PolarHBondContact O-N 3.47Å; M297-F301 WeakPolarHBondContact O-CB 3.5Å; M297-F301 PolarHBondContact O-N 2.85Å
298	L	84.7	Confident	83.9	Confident	74 Å²	74	75.6 Å²	75.6	39%	0.387	39%	0.388	S	S	.	.	H	α-helix	trans	-71.5	-30.1	177.5	-175.1	57.9	0	0	0	112.7	A294 E296 F301 R302	A294-L298 WeakPolarHBondContact O-CB 3.42Å; A294-L298 PolarHBondContact O-N 2.82Å; E296-L298 VanDerWaalsContact C-N 3.31Å; E296-L298 PolarHBondContact O-N 3.45Å; L298-F301 HydrophobicContact CD1-CD1 4.18Å; L298-R302 HydrophobicContact CD1-CG 4.41Å; L298-R302 VanDerWaalsContact O-CB 3.22Å; L298-R302 WeakPolarHBondContact O-CB 3.44Å; L298-R302 VanDerWaalsContact O-CD 3.31Å; L298-R302 WeakPolarHBondContact O-CD 3.03Å; L298-R302 WeakPolarHBondContact O-CG 3.37Å; L298-R302 PolarHBondContact O-N 3.34Å
299	Q	84.7	Confident	83.1	Confident	83 Å²	83	72.7 Å²	72.7	39%	0.388	38%	0.381	S	S	.	.	H	α-helix	trans	-71.7	-38.6	174.7	-175.6	55.6	52.3	0	0	111.9	S295 E296 R302 N303	S295-Q299 VanDerWaalsContact O-CB 3.23Å; S295-Q299 WeakPolarHBondContact O-CB 3.06Å; S295-Q299 PolarHBondContact O-N 3.43Å; E296-Q299 PolarHBondContact O-N 2.8Å; E296-Q299 VanDerWaalsContact O-N 3.12Å; Q299-R302 PolarHBondContact O-N 3.4Å; Q299-N303 PolarHBondContact NE2-OD1 2.86Å; Q299-N303 WeakPolarHBondContact O-CB 3.2Å; Q299-N303 PolarHBondContact O-N 2.84Å; Q299-N303 PolarHBondContact O-ND2 3.27Å; Q299-N303 PolarHBondContact O-OD1 2.86Å
300	E	87.7	Confident	82.1	Confident	49 Å²	49	72.8 Å²	72.8	23%	0.229	37%	0.374	C	S	.	.	H	α-helix	trans	-69	-44.7	174.3	-166.6	164.2	109.8	0	0	111.2	C224 F225 K285 F286 E296 M297 R302 N303 E304	C224-E300 PolarHBondContact SG-OE1 3.31Å; F225-E300 HydrophobicContact CE2-CB 4.5Å; F225-E300 HydrophobicContact CE2-CG 4.29Å; F225-E300 HydrophobicContact CZ-CB 4.47Å; K285-E300 IonicContact NZ-OE1 3.02Å; K285-E300 PolarHBondContact NZ-OE1 3.44Å; K285-E300 IonicContact NZ-OE2 2.69Å; K285-E300 PolarHBondContact NZ-OE2 3.31Å; F286-E300 HydrophobicContact CE1-CB 4.04Å; F286-E300 HydrophobicContact CZ-CB 4.06Å; F286-E300 HydrophobicContact CZ-CG 4.4Å; F286-E300 WeakPolarHBondContact CZ-OE1 3.37Å; E296-E300 PolarHBondContact O-N 2.97Å; M297-E300 PolarHBondContact O-N 3.47Å; E300-R302 VanDerWaalsContact C-N 3.33Å; E300-R302 PolarHBondContact O-N 3.46Å; E300-N303 WeakPolarHBondContact O-CA 3.25Å; E300-N303 WeakPolarHBondContact O-CB 3.29Å; E300-N303 PolarHBondContact O-N 3.17Å; E300-E304 PolarHBondContact O-N 3.41Å
301	F	88.1	Confident	80.8	Confident	59 Å²	59	68.4 Å²	68.4	26%	0.259	36%	0.357	S	S	.	.	H	α-helix	trans	-56.5	-45.8	171.3	178.2	-102.7	0	0	0	111.9	L218 F225 L253 M297 L298 N303 E304 V305	L218-F301 HydrophobicContact CD1-CE2 3.95Å; L218-F301 HydrophobicContact CD2-CD2 4.3Å; L218-F301 HydrophobicContact CD2-CE2 4.47Å; F225-F301 HydrophobicContact CE1-CB 4.3Å; F225-F301 HydrophobicContact CE2-CB 4.14Å; F225-F301 HydrophobicContact CZ-CB 3.72Å; L253-F301 HydrophobicContact CD1-CE2 4.01Å; L253-F301 HydrophobicContact CD1-CZ 4.04Å; M297-F301 WeakPolarHBondContact O-CB 3.5Å; M297-F301 PolarHBondContact O-N 2.85Å; L298-F301 HydrophobicContact CD1-CD1 4.18Å; F301-N303 VanDerWaalsContact C-N 3.27Å; F301-N303 PolarHBondContact O-N 3.01Å; F301-E304 PolarHBondContact O-N 2.76Å; F301-V305 HydrophobicContact CD1-CG2 4.15Å; F301-V305 HydrophobicContact CD2-CG2 4.32Å; F301-V305 HydrophobicContact CE1-CG2 3.73Å; F301-V305 HydrophobicContact CE2-CG2 3.91Å; F301-V305 HydrophobicContact CG-CG2 4.43Å; F301-V305 HydrophobicContact CZ-CG2 3.6Å; F301-V305 WeakPolarHBondContact O-CB 3.49Å; F301-V305 VanDerWaalsContact O-CG2 3.32Å; F301-V305 WeakPolarHBondContact O-CG2 3.49Å; F301-V305 PolarHBondContact O-N 2.85Å
302	R	85.8	Confident	79.1	Confident	121 Å²	121	71.9 Å²	71.9	46%	0.457	37%	0.367	S	S	.	.	H	α-helix	trans	-62.9	-31.1	173.5	-77.6	165.9	176.6	161.2	-0.6	112.6	L298 Q299 E300 K306	L298-R302 HydrophobicContact CD1-CG 4.41Å; L298-R302 VanDerWaalsContact O-CB 3.22Å; L298-R302 WeakPolarHBondContact O-CB 3.44Å; L298-R302 VanDerWaalsContact O-CD 3.31Å; L298-R302 WeakPolarHBondContact O-CD 3.03Å; L298-R302 WeakPolarHBondContact O-CG 3.37Å; L298-R302 PolarHBondContact O-N 3.34Å; Q299-R302 PolarHBondContact O-N 3.4Å; E300-R302 VanDerWaalsContact C-N 3.33Å; E300-R302 PolarHBondContact O-N 3.46Å; R302-K306 WeakPolarHBondContact O-CB 3.37Å; R302-K306 WeakPolarHBondContact O-CD 3.45Å; R302-K306 WeakPolarHBondContact O-CG 3.38Å; R302-K306 PolarHBondContact O-N 3.4Å
303	N	85.9	Confident	77.5	Confident	69 Å²	69	74.5 Å²	74.5	37%	0.369	39%	0.385	S	S	.	.	H	α-helix	trans	-71.7	-42.2	176.3	-73.3	-17.1	0	0	0	111	Q299 E300 F301 K306 K307	Q299-N303 PolarHBondContact NE2-OD1 2.86Å; Q299-N303 WeakPolarHBondContact O-CB 3.2Å; Q299-N303 PolarHBondContact O-N 2.84Å; Q299-N303 PolarHBondContact O-ND2 3.27Å; Q299-N303 PolarHBondContact O-OD1 2.86Å; E300-N303 WeakPolarHBondContact O-CA 3.25Å; E300-N303 WeakPolarHBondContact O-CB 3.29Å; E300-N303 PolarHBondContact O-N 3.17Å; F301-N303 VanDerWaalsContact C-N 3.27Å; F301-N303 PolarHBondContact O-N 3.01Å; N303-K306 PolarHBondContact O-N 2.96Å; N303-K307 WeakPolarHBondContact O-CB 3.43Å; N303-K307 VanDerWaalsContact O-CG 3.29Å; N303-K307 WeakPolarHBondContact O-CG 3.16Å; N303-K307 PolarHBondContact O-N 3.2Å
304	E	85.7	Confident	75.7	Confident	11 Å²	11	75.3 Å²	75.3	5%	0.051	39%	0.389	C	S	.	.	H	α-helix	trans	-65.5	-47.7	172.4	-65.6	-42.2	119.5	0	0	112.2	H217 L218 T222 E300 F301 K306 K307 F308	H217-E304 IonicContact CD2-OE2 2.68Å; H217-E304 IonicContact CE1-OE2 3.22Å; H217-E304 IonicContact NE2-OE2 2.72Å; H217-E304 PolarHBondContact NE2-OE2 3.1Å; L218-E304 HydrophobicContact CD2-CB 3.92Å; L218-E304 HydrophobicContact CD2-CG 4.35Å; T222-E304 HydrophobicContact CG2-CG 3.68Å; E300-E304 PolarHBondContact O-N 3.41Å; F301-E304 PolarHBondContact O-N 2.76Å; E304-K306 PolarHBondContact O-N 2.84Å; E304-K307 WeakPolarHBondContact O-CB 3.24Å; E304-K307 PolarHBondContact O-N 3.26Å; E304-K307 VanDerWaalsContact O-N 3.07Å; E304-K307 WeakPolarHBondContact OE1-CD 3.32Å; E304-K307 WeakPolarHBondContact OE1-CE 3.16Å; E304-K307 IonicContact OE1-NZ 2.87Å; E304-K307 PolarHBondContact OE1-NZ 2.84Å; E304-K307 VanDerWaalsContact OE2-CD 3.27Å; E304-K307 WeakPolarHBondContact OE2-CD 3.46Å; E304-K307 IonicContact OE2-NZ 3.08Å; E304-F308 VanDerWaalsContact O-CB 3.28Å; E304-F308 WeakPolarHBondContact O-CB 3.21Å; E304-F308 PolarHBondContact O-N 2.85Å
305	V	84.8	Confident	74.3	Confident	42 Å²	42	78.3 Å²	78.3	26%	0.255	40%	0.401	S	S	.	.	H	α-helix	trans	-59.3	-33.8	174.5	172.8	0	0	0	0	111.5	L214 F301 A309	L214-V305 HydrophobicContact CD1-CG2 4.12Å; L214-V305 HydrophobicContact CD2-CG2 4.49Å; F301-V305 HydrophobicContact CD1-CG2 4.15Å; F301-V305 HydrophobicContact CD2-CG2 4.32Å; F301-V305 HydrophobicContact CE1-CG2 3.73Å; F301-V305 HydrophobicContact CE2-CG2 3.91Å; F301-V305 HydrophobicContact CG-CG2 4.43Å; F301-V305 HydrophobicContact CZ-CG2 3.6Å; F301-V305 WeakPolarHBondContact O-CB 3.49Å; F301-V305 VanDerWaalsContact O-CG2 3.32Å; F301-V305 WeakPolarHBondContact O-CG2 3.49Å; F301-V305 PolarHBondContact O-N 2.85Å; V305-A309 WeakPolarHBondContact O-CA 3.5Å; V305-A309 VanDerWaalsContact O-CB 3.28Å; V305-A309 WeakPolarHBondContact O-CB 3.4Å; V305-A309 PolarHBondContact O-N 3.15Å
306	K	77.9	Confident	73.8	Confident	121 Å²	121	77 Å²	77	53%	0.526	39%	0.392	S	S	.	.	H	α-helix	trans	-79.5	-27.1	173.8	-75.6	171.6	-178.9	-178.9	0	114.3	R302 N303 E304 F308 K310	R302-K306 WeakPolarHBondContact O-CB 3.37Å; R302-K306 WeakPolarHBondContact O-CD 3.45Å; R302-K306 WeakPolarHBondContact O-CG 3.38Å; R302-K306 PolarHBondContact O-N 3.4Å; N303-K306 PolarHBondContact O-N 2.96Å; E304-K306 PolarHBondContact O-N 2.84Å; K306-F308 VanDerWaalsContact C-N 3.35Å; K306-K310 VanDerWaalsContact O-CB 3.25Å; K306-K310 WeakPolarHBondContact O-CB 3.4Å; K306-K310 WeakPolarHBondContact O-CD 3.32Å; K306-K310 WeakPolarHBondContact O-CG 3.44Å
307	K	77.4	Confident	73.2	Confident	132 Å²	132	78.3 Å²	78.3	57%	0.574	41%	0.409	S	S	*	.	H	α-helix	trans	-65.8	-43.5	168.7	-76.6	163.6	173.2	-179.3	0	109.6	N303 E304	N303-K307 WeakPolarHBondContact O-CB 3.43Å; N303-K307 VanDerWaalsContact O-CG 3.29Å; N303-K307 WeakPolarHBondContact O-CG 3.16Å; N303-K307 PolarHBondContact O-N 3.2Å; E304-K307 WeakPolarHBondContact O-CB 3.24Å; E304-K307 PolarHBondContact O-N 3.26Å; E304-K307 VanDerWaalsContact O-N 3.07Å; E304-K307 WeakPolarHBondContact OE1-CD 3.32Å; E304-K307 WeakPolarHBondContact OE1-CE 3.16Å; E304-K307 IonicContact OE1-NZ 2.87Å; E304-K307 PolarHBondContact OE1-NZ 2.84Å; E304-K307 VanDerWaalsContact OE2-CD 3.27Å; E304-K307 WeakPolarHBondContact OE2-CD 3.46Å; E304-K307 IonicContact OE2-NZ 3.08Å
308	F	77.3	Confident	73.3	Confident	59 Å²	59	77.8 Å²	77.8	26%	0.259	41%	0.405	S	S	.	.	H	α-helix	trans	-72.7	-46	179.5	179.9	-102.9	0	0	0	113.7	F210 N213 L214 H217 E304 K306	F210-F308 HydrophobicContact CD1-CE1 4.34Å; F210-F308 AromaticContact CD2-CE1 3.79Å; F210-F308 HydrophobicContact CD2-CE1 3.79Å; F210-F308 HydrophobicContact CD2-CZ 4.01Å; F210-F308 AromaticContact CE1-CE1 3.99Å; F210-F308 HydrophobicContact CE1-CE1 3.99Å; F210-F308 HydrophobicContact CE2-CD1 4.17Å; F210-F308 AromaticContact CE2-CE1 3.38Å; F210-F308 HydrophobicContact CE2-CE1 3.38Å; F210-F308 HydrophobicContact CE2-CZ 4.05Å; F210-F308 HydrophobicContact CG-CE1 4.26Å; F210-F308 HydrophobicContact CG-CZ 4.45Å; F210-F308 HydrophobicContact CZ-CD1 4.13Å; F210-F308 AromaticContact CZ-CE1 3.51Å; F210-F308 HydrophobicContact CZ-CE1 3.51Å; F210-F308 WeakPolarHBondContact O-CZ 3.28Å; N213-F308 HydrophobicContact CB-CE2 4.12Å; N213-F308 HydrophobicContact CB-CZ 4.15Å; L214-F308 HydrophobicContact CB-CD1 4.18Å; L214-F308 HydrophobicContact CB-CE1 3.63Å; L214-F308 HydrophobicContact CB-CE2 4.35Å; L214-F308 HydrophobicContact CB-CZ 3.74Å; L214-F308 HydrophobicContact CD1-CB 4.43Å; L214-F308 HydrophobicContact CD1-CD1 3.76Å; L214-F308 HydrophobicContact CD1-CE1 4.12Å; L214-F308 HydrophobicContact CD1-CG 4.03Å; L214-F308 HydrophobicContact CG-CD1 4.42Å; L214-F308 HydrophobicContact CG-CE1 4.3Å; H217-F308 HydrophobicContact CB-CD2 4.4Å; E304-F308 VanDerWaalsContact O-CB 3.28Å; E304-F308 WeakPolarHBondContact O-CB 3.21Å; E304-F308 PolarHBondContact O-N 2.85Å; K306-F308 VanDerWaalsContact C-N 3.35Å
309	A	66.6	Low	73.4	Confident	39 Å²	39	75.5 Å²	75.5	32%	0.322	40%	0.395	S	S	.	.			trans	-120	62.2	-172.8	0	0	0	0	0	112.2	F210 V305 G311	F210-A309 HydrophobicContact CZ-CB 4.24Å; V305-A309 WeakPolarHBondContact O-CA 3.5Å; V305-A309 VanDerWaalsContact O-CB 3.28Å; V305-A309 WeakPolarHBondContact O-CB 3.4Å; V305-A309 PolarHBondContact O-N 3.15Å; A309-G311 PolarHBondContact O-N 2.92Å
310	K	63	Low	73.7	Confident	165 Å²	165	76.4 Å²	76.4	72%	0.717	41%	0.41	S	S	*	.			trans	-79.5	56.1	-174.2	-139.1	160.9	-170.2	179.8	0	114.1	K306	K306-K310 VanDerWaalsContact O-CB 3.25Å; K306-K310 WeakPolarHBondContact O-CB 3.4Å; K306-K310 WeakPolarHBondContact O-CD 3.32Å; K306-K310 WeakPolarHBondContact O-CG 3.44Å
311	G	54.9	Low	73.7	Confident	27 Å²	27	78.7 Å²	78.7	28%	0.278	42%	0.42	S	S	.	.			trans	-171.5	153.6	171.6	0	0	0	0	0	115.1	A309	A309-G311 PolarHBondContact O-N 2.92Å
312	F	48.5	Very low	74	Confident	141 Å²	141	76 Å²	76	62%	0.618	41%	0.408	S	S	*	.			trans	75.4	164.7	-179.1	-43.8	-64.7	0	0	0	116.9	Y346 V348	F312-Y346 HydrophobicContact CB-CD1 4.07Å; F312-Y346 AromaticContact CD1-CD1 3.74Å; F312-Y346 HydrophobicContact CD1-CD1 3.74Å; F312-Y346 HydrophobicContact CD1-CG 4.5Å; F312-Y346 HydrophobicContact CG-CD1 4.18Å; F312-V348 HydrophobicContact CD1-CG1 3.75Å; F312-V348 HydrophobicContact CE1-CG1 3.39Å; F312-V348 HydrophobicContact CZ-CG1 4.34Å
313	P	53.4	Low	74	Confident	80 Å²	80	73.2 Å²	73.2	52%	0.519	41%	0.407	S	S	.	.			cis	-111.5	-170.3	-41.1	5.2	18.3	0	0	0	113.9	Y346	P313-Y346 HydrophobicContact CB-CD1 3.62Å; P313-Y346 HydrophobicContact CB-CE1 3.68Å; P313-Y346 HydrophobicContact CB-CG 4.03Å; P313-Y346 HydrophobicContact CG-CD1 4.17Å; P313-Y346 HydrophobicContact CG-CE1 3.89Å
314	V	52.9	Low	74.2	Confident	38 Å²	38	75.1 Å²	75.1	23%	0.23	42%	0.417	C	S	.	.	B	Isolated β-bridge	trans	-135.8	145.2	175.6	175.7	0	0	0	0	112.9	S316 P344 Y345 L347	V314-S316 WeakPolarHBondContact CG1-OG 3.41Å; V314-P344 WeakPolarHBondContact O-CB 3.44Å; V314-Y345 CarbonylContact C-O 3.33Å; V314-Y345 WeakPolarHBondContact CA-O 3.37Å; V314-Y345 HydrophobicContact CB-CD2 4.49Å; V314-Y345 HydrophobicContact CB-CE2 4.2Å; V314-Y345 WeakPolarHBondContact CB-O 3.44Å; V314-Y345 HydrophobicContact CG1-CE1 4.19Å; V314-Y345 HydrophobicContact CG1-CE2 4.11Å; V314-Y345 PolarHBondContact N-O 3.34Å; V314-Y345 PolarHBondContact O-N 2.74Å; V314-L347 HydrophobicContact CG2-CB 4.26Å; V314-L347 HydrophobicContact CG2-CD1 3.71Å; V314-L347 HydrophobicContact CG2-CG 3.72Å
315	T	51.3	Low	74.5	Confident	135 Å²	135	74.7 Å²	74.7	83%	0.828	42%	0.416	S	S	*	.			trans	-114.7	12.7	-168.1	50.6	0	0	0	0	116.7
316	S	65.8	Low	75.1	Confident	59 Å²	59	72.7 Å²	72.7	41%	0.413	40%	0.404	S	S	.	.	S	Bend	trans	-79.8	168.3	174.1	43.3	0	0	0	0	113.2	V314 Y345	V314-S316 WeakPolarHBondContact CG1-OG 3.41Å; S316-Y345 VanDerWaalsContact OG-CE1 3.25Å; S316-Y345 WeakPolarHBondContact OG-CE1 3.43Å; S316-Y345 PolarHBondContact OG-OH 3.35Å; S316-Y345 VanDerWaalsContact OG-OH 3.04Å
317	S	75.5	Confident	75.9	Confident	106 Å²	106	73 Å²	73	74%	0.741	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-55.1	146.6	165.1	51.5	0	0	0	0	110.9	Y345	S317-Y345 WeakPolarHBondContact O-CE1 3.29Å
318	W	88.1	Confident	76.9	Confident	24 Å²	24	66.8 Å²	66.8	9%	0.091	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-58.9	139.5	-178.7	-68.1	18.1	0	0	0	111	T322 L326 Y340 K341 K343 F372 I375 F474	W318-T322 WeakPolarHBondContact CB-OG1 3.45Å; W318-L326 HydrophobicContact CH2-CD2 3.86Å; W318-L326 HydrophobicContact CZ3-CD2 4Å; W318-Y340 WeakPolarHBondContact CZ2-O 3.16Å; W318-K341 HydrophobicContact CD2-CG 4.32Å; W318-K341 HydrophobicContact CE3-CG 4.01Å; W318-K341 HydrophobicContact CH2-CG 4.42Å; W318-K341 HydrophobicContact CZ3-CG 4.06Å; W318-K343 PolarHBondContact NE1-O 2.87Å; W318-F372 HydrophobicContact CD2-CD1 4.25Å; W318-F372 AromaticContact CD2-CE1 3.44Å; W318-F372 HydrophobicContact CD2-CE1 3.44Å; W318-F372 VanDerWaalsContact CD2-CE1 3.44Å; W318-F372 HydrophobicContact CD2-CZ 4.03Å; W318-F372 AromaticContact CE2-CD1 3.9Å; W318-F372 AromaticContact CE2-CE1 3.47Å; W318-F372 VanDerWaalsContact CE2-CE1 3.47Å; W318-F372 HydrophobicContact CE3-CD1 4.31Å; W318-F372 AromaticContact CE3-CE1 3.61Å; W318-F372 HydrophobicContact CE3-CE1 3.61Å; W318-F372 AromaticContact CE3-CZ 3.9Å; W318-F372 HydrophobicContact CE3-CZ 3.9Å; W318-F372 HydrophobicContact CG-CE1 4.03Å; W318-F372 HydrophobicContact CG-CZ 4.48Å; W318-F372 AromaticContact CH2-CD1 3.72Å; W318-F372 HydrophobicContact CH2-CD1 3.72Å; W318-F372 AromaticContact CH2-CE1 3.87Å; W318-F372 HydrophobicContact CH2-CE1 3.87Å; W318-F372 HydrophobicContact CH2-CG 4.46Å; W318-F372 AromaticContact CZ2-CD1 3.65Å; W318-F372 HydrophobicContact CZ2-CD1 3.65Å; W318-F372 AromaticContact CZ2-CE1 3.71Å; W318-F372 HydrophobicContact CZ2-CE1 3.71Å; W318-F372 HydrophobicContact CZ3-CD1 4.06Å; W318-F372 AromaticContact CZ3-CE1 3.83Å; W318-F372 HydrophobicContact CZ3-CE1 3.83Å; W318-F372 HydrophobicContact CZ3-CZ 4.26Å; W318-I375 HydrophobicContact CH2-CG1 4.06Å; W318-I375 HydrophobicContact CZ2-CD1 4.1Å; W318-I375 HydrophobicContact CZ2-CG1 3.82Å; W318-F474 HydrophobicContact CH2-CD1 4Å; W318-F474 HydrophobicContact CH2-CE1 4.23Å; W318-F474 AromaticContact CZ3-CD1 3.91Å; W318-F474 HydrophobicContact CZ3-CD1 3.91Å
319	P	86.7	Confident	77.7	Confident	25 Å²	25	66.5 Å²	66.5	16%	0.162	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-58.5	148.4	-177.3	-28.5	38.5	0	0	0	113.1	F321 T322 Y345 I370	P319-F321 VanDerWaalsContact C-N 3.25Å; P319-F321 HydrophobicContact CB-CD1 3.99Å; P319-F321 HydrophobicContact CB-CD2 4.42Å; P319-F321 HydrophobicContact CB-CE1 3.52Å; P319-F321 HydrophobicContact CB-CE2 4Å; P319-F321 HydrophobicContact CB-CG 4.43Å; P319-F321 HydrophobicContact CB-CZ 3.54Å; P319-F321 HydrophobicContact CG-CE1 4.4Å; P319-F321 HydrophobicContact CG-CZ 4.05Å; P319-F321 PolarHBondContact O-N 3.44Å; P319-F321 VanDerWaalsContact O-N 3.12Å; P319-T322 WeakPolarHBondContact O-CB 3.44Å; P319-T322 WeakPolarHBondContact O-CG2 3.22Å; P319-T322 PolarHBondContact O-N 3.02Å; P319-T322 PolarHBondContact O-OG1 3.44Å; P319-Y345 HydrophobicContact CG-CE1 4.21Å; P319-Y345 HydrophobicContact CG-CE2 4.2Å; P319-I370 HydrophobicContact CG-CD1 3.85Å
320	S	89.9	Confident	79.1	Confident	103 Å²	103	72.4 Å²	72.4	72%	0.72	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-53.3	-37.5	-172.4	51.3	0	0	0	0	113.9	T322 S323	S320-T322 PolarHBondContact O-N 2.98Å; S320-S323 VanDerWaalsContact O-CB 3.24Å; S320-S323 WeakPolarHBondContact O-CB 3.48Å; S320-S323 PolarHBondContact O-N 3.36Å; S320-S323 PolarHBondContact O-OG 2.86Å; S320-S323 VanDerWaalsContact O-OG 3.06Å
321	F	89.5	Confident	80.7	Confident	96 Å²	96	65 Å²	65	42%	0.421	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-65.4	0.2	176.3	57	-107.1	0	0	0	115.4	P319 I370 I475	P319-F321 VanDerWaalsContact C-N 3.25Å; P319-F321 HydrophobicContact CB-CD1 3.99Å; P319-F321 HydrophobicContact CB-CD2 4.42Å; P319-F321 HydrophobicContact CB-CE1 3.52Å; P319-F321 HydrophobicContact CB-CE2 4Å; P319-F321 HydrophobicContact CB-CG 4.43Å; P319-F321 HydrophobicContact CB-CZ 3.54Å; P319-F321 HydrophobicContact CG-CE1 4.4Å; P319-F321 HydrophobicContact CG-CZ 4.05Å; P319-F321 PolarHBondContact O-N 3.44Å; P319-F321 VanDerWaalsContact O-N 3.12Å; F321-I370 HydrophobicContact CE2-CD1 3.73Å; F321-I370 HydrophobicContact CZ-CD1 3.51Å; F321-I475 HydrophobicContact CD2-CG1 4.46Å; F321-I475 HydrophobicContact CD2-CG2 4.02Å; F321-I475 HydrophobicContact CE2-CD1 4.26Å; F321-I475 HydrophobicContact CE2-CG1 4.41Å; F321-I475 HydrophobicContact CE2-CG2 4.47Å
322	T	92.5	Very high	82.8	Confident	3 Å²	3	64.9 Å²	64.9	2%	0.018	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-100.8	3.5	170.9	72.3	0	0	0	0	113	W318 P319 S320 D324 G325 K341 F372 F474 I475	W318-T322 WeakPolarHBondContact CB-OG1 3.45Å; P319-T322 WeakPolarHBondContact O-CB 3.44Å; P319-T322 WeakPolarHBondContact O-CG2 3.22Å; P319-T322 PolarHBondContact O-N 3.02Å; P319-T322 PolarHBondContact O-OG1 3.44Å; S320-T322 PolarHBondContact O-N 2.98Å; T322-D324 PolarHBondContact O-N 3.39Å; T322-G325 PolarHBondContact O-N 2.74Å; T322-K341 PolarHBondContact O-NZ 3.28Å; T322-F372 HydrophobicContact CG2-CE2 4.28Å; T322-F372 HydrophobicContact CG2-CZ 4.04Å; T322-F474 WeakPolarHBondContact CA-O 3.49Å; T322-F474 WeakPolarHBondContact CB-O 3.36Å; T322-I475 HydrophobicContact CG2-CG1 4.29Å
323	S	86.7	Confident	85	Confident	62 Å²	62	59.5 Å²	59.5	43%	0.434	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44	-57.1	178.2	46.5	0	0	0	0	112.4	S320 K341	S320-S323 VanDerWaalsContact O-CB 3.24Å; S320-S323 WeakPolarHBondContact O-CB 3.48Å; S320-S323 PolarHBondContact O-N 3.36Å; S320-S323 PolarHBondContact O-OG 2.86Å; S320-S323 VanDerWaalsContact O-OG 3.06Å; S323-K341 PolarHBondContact O-NZ 2.79Å
324	D	90.1	Very high	87	Confident	109 Å²	109	60.4 Å²	60.4	58%	0.583	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	5.7	-170.2	-52.5	-68.5	0	0	0	113.1	T322 K327 P476	T322-D324 PolarHBondContact O-N 3.39Å; D324-K327 WeakPolarHBondContact O-CE 3.39Å; D324-P476 VanDerWaalsContact C-CG 3.4Å; D324-P476 HydrophobicContact CB-CG 4.13Å
325	G	92.9	Very high	88.9	Confident	2 Å²	2	64.9 Å²	64.9	2%	0.021	37%	0.365	C	S	.	.			trans	-78.2	177.8	170.1	0	0	0	0	0	112.5	T322 P476	T322-G325 PolarHBondContact O-N 2.74Å; G325-P476 VanDerWaalsContact N-CG 3.31Å
326	L	95.9	Very high	91	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	34%	0.337	C	S	.	.			trans	57.7	57.2	177	-170.7	62.1	0	0	0	112	W318 I328 K337 Y340 K341 I375 I379 F473 F474	W318-L326 HydrophobicContact CH2-CD2 3.86Å; W318-L326 HydrophobicContact CZ3-CD2 4Å; L326-I328 HydrophobicContact CD1-CD1 3.92Å; L326-I328 HydrophobicContact CD1-CG1 4.29Å; L326-I328 HydrophobicContact CD1-CG2 4.03Å; L326-I328 HydrophobicContact CG-CD1 4.07Å; L326-I328 HydrophobicContact CG-CG1 4.18Å; L326-I328 PolarHBondContact O-N 3.17Å; L326-K337 HydrophobicContact CD2-CG 4.04Å; L326-K337 HydrophobicContact CG-CG 4.13Å; L326-K337 VanDerWaalsContact O-CD 3.28Å; L326-K337 WeakPolarHBondContact O-CD 3.42Å; L326-K337 WeakPolarHBondContact O-CE 3.35Å; L326-Y340 HydrophobicContact CD1-CD2 4.49Å; L326-Y340 HydrophobicContact CD2-CD2 4.33Å; L326-K341 HydrophobicContact CD2-CG 4.23Å; L326-I375 HydrophobicContact CD1-CG2 4.45Å; L326-I379 HydrophobicContact CD1-CD1 3.74Å; L326-F473 HydrophobicContact CD1-CD1 4.39Å; L326-F473 HydrophobicContact CD1-CE1 3.86Å; L326-F473 PolarHBondContact N-O 3.49Å; L326-F474 HydrophobicContact CD1-CD1 4.37Å; L326-F474 HydrophobicContact CD1-CE1 3.87Å
327	K	95.6	Very high	92.4	Very high	129 Å²	129	59.2 Å²	59.2	56%	0.561	33%	0.325	S	S	*	.			trans	-75.8	39.6	-174.3	-60.9	-170.3	176.7	-173.7	0	114.4	D324 D329 C437	D324-K327 WeakPolarHBondContact O-CE 3.39Å; K327-D329 PolarHBondContact O-N 3.07Å; K327-C437 PolarHBondContact O-SG 2.84Å; K327-C437 VanDerWaalsContact O-SG 3.39Å
328	I	97.3	Very high	93.2	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	32%	0.318	C	S	.	.			trans	-82.7	5.9	-177.2	66.3	179.3	0	0	0	113.7	L326 Q330 W331 L332 G333 V336 K337 Y340 F473	L326-I328 HydrophobicContact CD1-CD1 3.92Å; L326-I328 HydrophobicContact CD1-CG1 4.29Å; L326-I328 HydrophobicContact CD1-CG2 4.03Å; L326-I328 HydrophobicContact CG-CD1 4.07Å; L326-I328 HydrophobicContact CG-CG1 4.18Å; L326-I328 PolarHBondContact O-N 3.17Å; I328-Q330 VanDerWaalsContact C-N 3.26Å; I328-Q330 PolarHBondContact O-N 2.98Å; I328-W331 HydrophobicContact CB-CE3 4.41Å; I328-W331 HydrophobicContact CG2-CE3 3.88Å; I328-W331 HydrophobicContact CG2-CZ3 4.17Å; I328-W331 PolarHBondContact O-N 3.03Å; I328-L332 HydrophobicContact CB-CB 4.23Å; I328-L332 HydrophobicContact CB-CD1 4.45Å; I328-L332 HydrophobicContact CB-CG 4.33Å; I328-L332 HydrophobicContact CD1-CB 4.15Å; I328-L332 HydrophobicContact CD1-CD1 4.11Å; I328-L332 HydrophobicContact CG1-CB 4.41Å; I328-L332 HydrophobicContact CG2-CD1 4.47Å; I328-L332 PolarHBondContact O-N 3.47Å; I328-G333 PolarHBondContact O-N 3.1Å; I328-V336 HydrophobicContact CD1-CG1 4.22Å; I328-K337 HydrophobicContact CD1-CB 4.08Å; I328-K337 HydrophobicContact CG1-CB 3.82Å; I328-K337 HydrophobicContact CG1-CG 4.28Å; I328-Y340 HydrophobicContact CD1-CD2 3.68Å; I328-Y340 HydrophobicContact CD1-CE2 3.79Å; I328-F473 HydrophobicContact CG2-CE1 3.89Å; I328-F473 HydrophobicContact CG2-CZ 3.64Å
329	D	95.2	Very high	93.3	Very high	53 Å²	53	65.1 Å²	65.1	28%	0.283	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-38.4	-171.7	-50.2	-107.1	0	0	0	112.9	K327 G333 T334 K337	K327-D329 PolarHBondContact O-N 3.07Å; D329-G333 VanDerWaalsContact O-CA 3.31Å; D329-G333 WeakPolarHBondContact O-CA 3.43Å; D329-T334 HydrophobicContact CB-CG2 4.2Å; D329-K337 VanDerWaalsContact CG-CD 3.5Å; D329-K337 WeakPolarHBondContact OD1-CD 3.37Å; D329-K337 WeakPolarHBondContact OD1-CE 3.42Å; D329-K337 IonicContact OD1-NZ 2.78Å; D329-K337 PolarHBondContact OD1-NZ 2.91Å; D329-K337 WeakPolarHBondContact OD2-CD 3.02Å; D329-K337 IonicContact OD2-NZ 2.69Å; D329-K337 PolarHBondContact OD2-NZ 2.88Å
330	Q	95.7	Very high	93.6	Very high	164 Å²	164	64.2 Å²	64.2	77%	0.766	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	0.1	179.1	-60.1	-65.3	-6.7	0	0	113.9	I328 T440	I328-Q330 VanDerWaalsContact C-N 3.26Å; I328-Q330 PolarHBondContact O-N 2.98Å; Q330-T440 HydrophobicContact CB-CG2 4.46Å; Q330-T440 WeakPolarHBondContact O-CB 3.44Å; Q330-T440 WeakPolarHBondContact O-CG2 3.32Å
331	W	97.6	Very high	93.5	Very high	8 Å²	8	62.1 Å²	62.1	3%	0.03	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-57.4	-177.3	172.2	27.5	0	0	0	112.3	I328 I379 H383 L433 C436 T440	I328-W331 HydrophobicContact CB-CE3 4.41Å; I328-W331 HydrophobicContact CG2-CE3 3.88Å; I328-W331 HydrophobicContact CG2-CZ3 4.17Å; I328-W331 PolarHBondContact O-N 3.03Å; W331-I379 HydrophobicContact CH2-CG2 3.41Å; W331-I379 VanDerWaalsContact CH2-CG2 3.41Å; W331-I379 HydrophobicContact CZ2-CG2 4.32Å; W331-I379 HydrophobicContact CZ3-CG2 3.76Å; W331-H383 HydrophobicContact CZ2-CB 4.25Å; W331-H383 WeakPolarHBondContact CZ2-O 3.46Å; W331-H383 PolarHBondContact NE1-O 3.48Å; W331-L433 HydrophobicContact CH2-CD2 4.33Å; W331-L433 HydrophobicContact CZ3-CD2 4.31Å; W331-C436 HydrophobicContact CD2-CB 3.83Å; W331-C436 HydrophobicContact CE3-CB 3.72Å; W331-C436 HydrophobicContact CH2-CB 3.46Å; W331-C436 VanDerWaalsContact CH2-CB 3.46Å; W331-C436 HydrophobicContact CZ2-CB 3.54Å; W331-C436 HydrophobicContact CZ3-CB 3.55Å; W331-T440 HydrophobicContact CB-CG2 3.98Å
332	L	97.2	Very high	93.1	Very high	26 Å²	26	67.8 Å²	67.8	14%	0.136	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-4.7	-179.9	-54.2	-177.6	0	0	0	112.6	I328 V336 I379 K382 G384	I328-L332 HydrophobicContact CB-CB 4.23Å; I328-L332 HydrophobicContact CB-CD1 4.45Å; I328-L332 HydrophobicContact CB-CG 4.33Å; I328-L332 HydrophobicContact CD1-CB 4.15Å; I328-L332 HydrophobicContact CD1-CD1 4.11Å; I328-L332 HydrophobicContact CG1-CB 4.41Å; I328-L332 HydrophobicContact CG2-CD1 4.47Å; I328-L332 PolarHBondContact O-N 3.47Å; L332-V336 HydrophobicContact CB-CB 4.25Å; L332-V336 HydrophobicContact CB-CG1 4.11Å; L332-V336 WeakPolarHBondContact O-CB 3.44Å; L332-V336 WeakPolarHBondContact O-CG2 3.03Å; L332-I379 HydrophobicContact CD1-CG1 4.16Å; L332-I379 HydrophobicContact CD1-CG2 4.19Å; L332-K382 WeakPolarHBondContact CD2-O 3.49Å; L332-G384 WeakPolarHBondContact CD2-O 3.26Å
333	G	95.9	Very high	92.5	Very high	27 Å²	27	71.4 Å²	71.4	28%	0.278	34%	0.34	S	S	.	.	H	α-helix	trans	87.7	152.7	176.9	0	0	0	0	0	114.7	I328 D329 K335 V336 K337	I328-G333 PolarHBondContact O-N 3.1Å; D329-G333 VanDerWaalsContact O-CA 3.31Å; D329-G333 WeakPolarHBondContact O-CA 3.43Å; G333-K335 VanDerWaalsContact C-N 3.27Å; G333-K335 PolarHBondContact O-N 2.92Å; G333-V336 PolarHBondContact O-N 2.85Å; G333-K337 PolarHBondContact O-N 3.06Å; G333-K337 VanDerWaalsContact O-N 3.16Å
334	T	94.8	Very high	92.2	Very high	100 Å²	100	70.7 Å²	70.7	61%	0.613	34%	0.335	S	S	*	.	H	α-helix	trans	-60.3	-31.9	180	55.8	0	0	0	0	113.4	D329 K337 R338	D329-T334 HydrophobicContact CB-CG2 4.2Å; T334-K337 PolarHBondContact O-N 2.96Å; T334-R338 WeakPolarHBondContact O-CB 3.44Å; T334-R338 PolarHBondContact O-N 3.17Å
335	K	93.4	Very high	91.8	Very high	132 Å²	132	66.8 Å²	66.8	57%	0.574	31%	0.312	S	S	*	.	H	α-helix	trans	-61.5	-48.2	175.3	178.6	171.1	172.8	174.6	0	111.7	G333 R338 E339	G333-K335 VanDerWaalsContact C-N 3.27Å; G333-K335 PolarHBondContact O-N 2.92Å; K335-R338 PolarHBondContact O-N 3.06Å; K335-E339 WeakPolarHBondContact CE-OE1 3.5Å; K335-E339 VanDerWaalsContact CG-OE1 3.29Å; K335-E339 WeakPolarHBondContact CG-OE1 3.4Å; K335-E339 IonicContact NZ-OE1 3.26Å; K335-E339 WeakPolarHBondContact O-CG 3.42Å; K335-E339 PolarHBondContact O-N 3.4Å
336	V	95.3	Very high	91.1	Very high	39 Å²	39	69.8 Å²	69.8	24%	0.236	32%	0.323	C	S	.	.	H	α-helix	trans	-66.8	-40.2	179.3	175.9	0	0	0	0	111	I328 L332 G333 R338 E339 Y340	I328-V336 HydrophobicContact CD1-CG1 4.22Å; L332-V336 HydrophobicContact CB-CB 4.25Å; L332-V336 HydrophobicContact CB-CG1 4.11Å; L332-V336 WeakPolarHBondContact O-CB 3.44Å; L332-V336 WeakPolarHBondContact O-CG2 3.03Å; G333-V336 PolarHBondContact O-N 2.85Å; V336-R338 VanDerWaalsContact C-N 3.32Å; V336-R338 PolarHBondContact O-N 2.91Å; V336-E339 PolarHBondContact O-N 2.91Å; V336-Y340 HydrophobicContact CG1-CD2 3.92Å; V336-Y340 HydrophobicContact CG1-CE1 4.29Å; V336-Y340 HydrophobicContact CG1-CE2 3.35Å; V336-Y340 PolarHBondContact O-N 3.12Å
337	K	94.9	Very high	90.3	Very high	36 Å²	36	72.1 Å²	72.1	16%	0.157	34%	0.335	C	S	.	.	H	α-helix	trans	-57.4	-43.5	172.4	-175.3	177.8	178.2	177	0	112.5	L326 I328 D329 G333 T334 Y340 K341	L326-K337 HydrophobicContact CD2-CG 4.04Å; L326-K337 HydrophobicContact CG-CG 4.13Å; L326-K337 VanDerWaalsContact O-CD 3.28Å; L326-K337 WeakPolarHBondContact O-CD 3.42Å; L326-K337 WeakPolarHBondContact O-CE 3.35Å; I328-K337 HydrophobicContact CD1-CB 4.08Å; I328-K337 HydrophobicContact CG1-CB 3.82Å; I328-K337 HydrophobicContact CG1-CG 4.28Å; D329-K337 VanDerWaalsContact CG-CD 3.5Å; D329-K337 WeakPolarHBondContact OD1-CD 3.37Å; D329-K337 WeakPolarHBondContact OD1-CE 3.42Å; D329-K337 IonicContact OD1-NZ 2.78Å; D329-K337 PolarHBondContact OD1-NZ 2.91Å; D329-K337 WeakPolarHBondContact OD2-CD 3.02Å; D329-K337 IonicContact OD2-NZ 2.69Å; D329-K337 PolarHBondContact OD2-NZ 2.88Å; G333-K337 PolarHBondContact O-N 3.06Å; G333-K337 VanDerWaalsContact O-N 3.16Å; T334-K337 PolarHBondContact O-N 2.96Å; K337-Y340 PolarHBondContact O-N 2.98Å; K337-K341 PolarHBondContact O-N 3.47Å
338	R	91.6	Very high	89.3	Confident	159 Å²	159	66.9 Å²	66.9	60%	0.6	31%	0.314	S	S	*	.	H	α-helix	trans	-64.7	-47.1	176.3	-175.6	172.8	66.4	-166.3	1.5	111.3	T334 K335 V336 Y340 K341 W342	T334-R338 WeakPolarHBondContact O-CB 3.44Å; T334-R338 PolarHBondContact O-N 3.17Å; K335-R338 PolarHBondContact O-N 3.06Å; V336-R338 VanDerWaalsContact C-N 3.32Å; V336-R338 PolarHBondContact O-N 2.91Å; R338-Y340 VanDerWaalsContact C-N 3.31Å; R338-Y340 PolarHBondContact O-N 3.05Å; R338-K341 PolarHBondContact O-N 3.17Å; R338-K341 VanDerWaalsContact O-N 3.14Å; R338-W342 PolarHBondContact O-N 3.16Å
339	E	90.3	Very high	88.2	Confident	94 Å²	94	70.3 Å²	70.3	44%	0.439	34%	0.336	S	S	.	.	H	α-helix	trans	-57.8	-40.4	176.7	-73.9	166.2	-168.7	0	0	112.4	K335 V336 W342	K335-E339 WeakPolarHBondContact CE-OE1 3.5Å; K335-E339 VanDerWaalsContact CG-OE1 3.29Å; K335-E339 WeakPolarHBondContact CG-OE1 3.4Å; K335-E339 IonicContact NZ-OE1 3.26Å; K335-E339 WeakPolarHBondContact O-CG 3.42Å; K335-E339 PolarHBondContact O-N 3.4Å; V336-E339 PolarHBondContact O-N 2.91Å; E339-W342 PolarHBondContact O-N 3.43Å
340	Y	92.6	Very high	87.3	Confident	7 Å²	7	73.1 Å²	73.1	3%	0.027	35%	0.346	C	S	.	.	H	α-helix	trans	-67	-40.2	173.5	-68.4	-26.1	0	0	0	113.2	W318 L326 I328 V336 K337 R338 W342 K343 I375 D378 I379	W318-Y340 WeakPolarHBondContact CZ2-O 3.16Å; L326-Y340 HydrophobicContact CD1-CD2 4.49Å; L326-Y340 HydrophobicContact CD2-CD2 4.33Å; I328-Y340 HydrophobicContact CD1-CD2 3.68Å; I328-Y340 HydrophobicContact CD1-CE2 3.79Å; V336-Y340 HydrophobicContact CG1-CD2 3.92Å; V336-Y340 HydrophobicContact CG1-CE1 4.29Å; V336-Y340 HydrophobicContact CG1-CE2 3.35Å; V336-Y340 PolarHBondContact O-N 3.12Å; K337-Y340 PolarHBondContact O-N 2.98Å; R338-Y340 VanDerWaalsContact C-N 3.31Å; R338-Y340 PolarHBondContact O-N 3.05Å; Y340-W342 PolarHBondContact O-N 2.94Å; Y340-K343 WeakPolarHBondContact O-CB 3.26Å; Y340-K343 PolarHBondContact O-N 2.91Å; Y340-K343 VanDerWaalsContact O-N 3.08Å; Y340-I375 HydrophobicContact CD1-CD1 3.99Å; Y340-I375 HydrophobicContact CD1-CG2 4.17Å; Y340-I375 HydrophobicContact CD2-CG2 3.73Å; Y340-I375 HydrophobicContact CE2-CG2 4.25Å; Y340-I375 HydrophobicContact CG-CD1 4.14Å; Y340-I375 HydrophobicContact CG-CG2 3.7Å; Y340-D378 HydrophobicContact CE1-CB 3.7Å; Y340-I379 HydrophobicContact CD2-CD1 4.47Å; Y340-I379 HydrophobicContact CD2-CG1 4.27Å; Y340-I379 HydrophobicContact CE2-CD1 4.18Å; Y340-I379 HydrophobicContact CE2-CG1 3.52Å
341	K	89.1	Confident	86.6	Confident	58 Å²	58	70.4 Å²	70.4	25%	0.252	33%	0.329	S	S	.	.	H	α-helix	trans	-69.4	-12	177.1	-74	-161.8	169.5	-159.2	0	114.7	W318 T322 S323 L326 K337 R338	W318-K341 HydrophobicContact CD2-CG 4.32Å; W318-K341 HydrophobicContact CE3-CG 4.01Å; W318-K341 HydrophobicContact CH2-CG 4.42Å; W318-K341 HydrophobicContact CZ3-CG 4.06Å; T322-K341 PolarHBondContact O-NZ 3.28Å; S323-K341 PolarHBondContact O-NZ 2.79Å; L326-K341 HydrophobicContact CD2-CG 4.23Å; K337-K341 PolarHBondContact O-N 3.47Å; R338-K341 PolarHBondContact O-N 3.17Å; R338-K341 VanDerWaalsContact O-N 3.14Å
342	W	80.6	Confident	85.7	Confident	216 Å²	216	76.5 Å²	76.5	82%	0.818	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-10.6	169.7	-71.8	115.7	0	0	0	114	R338 E339 Y340	R338-W342 PolarHBondContact O-N 3.16Å; E339-W342 PolarHBondContact O-N 3.43Å; Y340-W342 PolarHBondContact O-N 2.94Å
343	K	80.5	Confident	84.9	Confident	78 Å²	78	78.7 Å²	78.7	34%	0.339	39%	0.387	S	S	.	.	S	Bend	trans	-77.7	154.2	174.9	-70.4	-169.9	172.2	-164.4	0	111.2	W318 Y340 I375 D378	W318-K343 PolarHBondContact NE1-O 2.87Å; Y340-K343 WeakPolarHBondContact O-CB 3.26Å; Y340-K343 PolarHBondContact O-N 2.91Å; Y340-K343 VanDerWaalsContact O-N 3.08Å; K343-I375 HydrophobicContact CB-CD1 3.99Å; K343-I375 HydrophobicContact CD-CD1 3.74Å; K343-I375 HydrophobicContact CG-CD1 4.35Å; K343-D378 IonicContact NZ-OD2 2.78Å; K343-D378 PolarHBondContact NZ-OD2 2.62Å
344	P	79.1	Confident	84.2	Confident	48 Å²	48	86.9 Å²	86.9	31%	0.312	41%	0.41	S	S	.	.			trans	-59.7	170	175.1	25	-35.8	0	0	0	112.9	V314 Y346 H374	V314-P344 WeakPolarHBondContact O-CB 3.44Å; P344-Y346 HydrophobicContact CG-CE2 4.39Å; P344-H374 PolarHBondContact O-CE1 3.36Å; P344-H374 PolarHBondContact O-NE2 2.99Å
345	Y	81.8	Confident	83.4	Confident	27 Å²	27	82.7 Å²	82.7	11%	0.106	39%	0.386	C	S	.	.	B	Isolated β-bridge	trans	-124.3	155.8	169.2	68.5	-89.8	0	0	0	111.2	V314 S316 S317 P319 L347 I370	V314-Y345 CarbonylContact C-O 3.33Å; V314-Y345 WeakPolarHBondContact CA-O 3.37Å; V314-Y345 HydrophobicContact CB-CD2 4.49Å; V314-Y345 HydrophobicContact CB-CE2 4.2Å; V314-Y345 WeakPolarHBondContact CB-O 3.44Å; V314-Y345 HydrophobicContact CG1-CE1 4.19Å; V314-Y345 HydrophobicContact CG1-CE2 4.11Å; V314-Y345 PolarHBondContact N-O 3.34Å; V314-Y345 PolarHBondContact O-N 2.74Å; S316-Y345 VanDerWaalsContact OG-CE1 3.25Å; S316-Y345 WeakPolarHBondContact OG-CE1 3.43Å; S316-Y345 PolarHBondContact OG-OH 3.35Å; S316-Y345 VanDerWaalsContact OG-OH 3.04Å; S317-Y345 WeakPolarHBondContact O-CE1 3.29Å; P319-Y345 HydrophobicContact CG-CE1 4.21Å; P319-Y345 HydrophobicContact CG-CE2 4.2Å; Y345-L347 HydrophobicContact CE2-CD2 4.19Å; Y345-L347 HydrophobicContact CE2-CG 4.42Å; Y345-I370 HydrophobicContact CD2-CD1 4.49Å; Y345-I370 HydrophobicContact CD2-CG1 4.13Å; Y345-I370 HydrophobicContact CD2-CG2 4.1Å; Y345-I370 HydrophobicContact CE2-CD1 4.38Å; Y345-I370 HydrophobicContact CE2-CG1 4.23Å
346	Y	78.9	Confident	83.1	Confident	65 Å²	65	82.9 Å²	82.9	26%	0.255	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	127.6	-168.1	-68.1	-118.2	0	0	0	108.5	F312 P313 P344 I370 S371 H374	F312-Y346 HydrophobicContact CB-CD1 4.07Å; F312-Y346 AromaticContact CD1-CD1 3.74Å; F312-Y346 HydrophobicContact CD1-CD1 3.74Å; F312-Y346 HydrophobicContact CD1-CG 4.5Å; F312-Y346 HydrophobicContact CG-CD1 4.18Å; P313-Y346 HydrophobicContact CB-CD1 3.62Å; P313-Y346 HydrophobicContact CB-CE1 3.68Å; P313-Y346 HydrophobicContact CB-CG 4.03Å; P313-Y346 HydrophobicContact CG-CD1 4.17Å; P313-Y346 HydrophobicContact CG-CE1 3.89Å; P344-Y346 HydrophobicContact CG-CE2 4.39Å; Y346-I370 CarbonylContact O-C 3.49Å; Y346-I370 WeakPolarHBondContact O-CA 3.21Å; Y346-S371 WeakPolarHBondContact CB-O 3.49Å; Y346-S371 PolarHBondContact N-O 3.45Å; Y346-S371 PolarHBondContact O-N 3.45Å; Y346-H374 AromaticContact CD2-CE1 3.62Å; Y346-H374 AromaticContact CD2-ND1 3.35Å; Y346-H374 WeakPolarHBondContact CD2-ND1 3.17Å; Y346-H374 AromaticContact CE2-CE1 3.41Å; Y346-H374 VanDerWaalsContact CE2-CE1 3.41Å; Y346-H374 WeakPolarHBondContact CE2-CE1 3.26Å; Y346-H374 AromaticContact CE2-CG 3.78Å; Y346-H374 AromaticContact CE2-ND1 3.14Å; Y346-H374 WeakPolarHBondContact CE2-ND1 3.41Å
347	L	79.1	Confident	82.8	Confident	48 Å²	48	83.5 Å²	83.5	25%	0.251	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	133.7	165.1	-67.5	-176.6	0	0	0	109.3	V314 Y345 W368 I370	V314-L347 HydrophobicContact CG2-CB 4.26Å; V314-L347 HydrophobicContact CG2-CD1 3.71Å; V314-L347 HydrophobicContact CG2-CG 3.72Å; Y345-L347 HydrophobicContact CE2-CD2 4.19Å; Y345-L347 HydrophobicContact CE2-CG 4.42Å; L347-W368 HydrophobicContact CB-CB 4.31Å; L347-W368 HydrophobicContact CB-CE3 3.85Å; L347-W368 HydrophobicContact CD1-CB 4.28Å; L347-W368 HydrophobicContact CD2-CB 4.25Å; L347-I370 HydrophobicContact CD2-CG1 3.64Å
348	V	73.9	Confident	82.5	Confident	20 Å²	20	87.7 Å²	87.7	12%	0.121	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	136.9	170.9	-61.4	0	0	0	0	109.9	F312 K350 R369	F312-V348 HydrophobicContact CD1-CG1 3.75Å; F312-V348 HydrophobicContact CE1-CG1 3.39Å; F312-V348 HydrophobicContact CZ-CG1 4.34Å; V348-K350 HydrophobicContact CG2-CB 4.33Å; V348-K350 PolarHBondContact O-N 3.48Å; V348-R369 HydrophobicContact CG2-CB 4.24Å; V348-R369 WeakPolarHBondContact CG2-O 3.36Å; V348-R369 PolarHBondContact N-O 3.45Å; V348-R369 PolarHBondContact O-N 2.75Å
349	P	74.9	Confident	81.9	Confident	72 Å²	72	84.1 Å²	84.1	47%	0.468	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	104.7	174.6	28.9	-32.2	0	0	0	108	W368	P349-W368 HydrophobicContact CB-CE3 4.32Å; P349-W368 HydrophobicContact CB-CH2 4.48Å; P349-W368 HydrophobicContact CB-CZ3 4.21Å; P349-W368 HydrophobicContact CG-CZ3 4.3Å
350	K	76.9	Confident	81.6	Confident	112 Å²	112	87.9 Å²	87.9	49%	0.487	43%	0.433	S	S	.	.			trans	-160.6	124.2	-179.6	178	161	-178.8	160.8	0	110.8	V348 V367 R369	V348-K350 HydrophobicContact CG2-CB 4.33Å; V348-K350 PolarHBondContact O-N 3.48Å; K350-V367 PolarHBondContact N-O 2.84Å; K350-R369 HydrophobicContact CB-CB 4.28Å
351	Y	81	Confident	81.2	Confident	106 Å²	106	90.4 Å²	90.4	42%	0.416	46%	0.462	S	S	.	.			trans	-115.8	174.2	179.9	65.2	-93.8	0	0	0	112.5	N364 K365	Y351-N364 WeakPolarHBondContact CB-O 3.14Å; Y351-N364 HydrophobicContact CD2-CB 4.48Å; Y351-K365 HydrophobicContact CE1-CB 4.34Å
352	E	77.8	Confident	80.7	Confident	137 Å²	137	91 Å²	91	64%	0.64	47%	0.47	S	S	*	.			trans	-123.6	154	173.6	-60.7	-169.4	-176.8	0	0	110.1	N364	E352-N364 PolarHBondContact O-ND2 2.91Å
353	G	80.9	Confident	80.5	Confident	72 Å²	72	83.2 Å²	83.2	74%	0.742	44%	0.444	S	S	*	.	S	Bend	trans	70.3	-143.6	-178.3	0	0	0	0	0	114.2
354	R	80.9	Confident	80.5	Confident	198 Å²	198	80.7 Å²	80.7	75%	0.747	43%	0.434	S	S	*	.			trans	-91.8	131.7	-179.3	-65.9	-174.1	-67.6	-163.3	-0	110	N356 V357 N364	R354-N356 VanDerWaalsContact C-N 3.32Å; R354-N356 PolarHBondContact O-N 3.32Å; R354-V357 HydrophobicContact CB-CG2 3.97Å; R354-V357 PolarHBondContact O-N 3.43Å; R354-N364 WeakPolarHBondContact O-CB 3.16Å; R354-N364 PolarHBondContact O-ND2 2.72Å
355	G	77	Confident	80.5	Confident	12 Å²	12	83.2 Å²	83.2	12%	0.124	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-25.1	-174.8	0	0	0	0	0	115.5	V357 N364 K365	G355-V357 VanDerWaalsContact C-N 3.33Å; G355-N364 PolarHBondContact O-N 3.23Å; G355-K365 WeakPolarHBondContact O-CB 3.34Å; G355-K365 PolarHBondContact O-N 3.48Å
356	N	87.2	Confident	80.3	Confident	137 Å²	137	86.1 Å²	86.1	73%	0.733	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	7.8	179.5	-61.7	1.1	0	0	0	113.4	R354	R354-N356 VanDerWaalsContact C-N 3.32Å; R354-N356 PolarHBondContact O-N 3.32Å
357	V	89.3	Confident	80.4	Confident	52 Å²	52	85.2 Å²	85.2	32%	0.315	46%	0.459	S	S	.	.			trans	-85.7	130.3	171.3	172.7	0	0	0	0	108	R354 G355 N364	R354-V357 HydrophobicContact CB-CG2 3.97Å; R354-V357 PolarHBondContact O-N 3.43Å; G355-V357 VanDerWaalsContact C-N 3.33Å; V357-N364 WeakPolarHBondContact O-CB 3.44Å; V357-N364 VanDerWaalsContact O-CG 3.3Å; V357-N364 PolarHBondContact O-N 2.8Å
358	E	88.4	Confident	80.4	Confident	123 Å²	123	89.9 Å²	89.9	58%	0.575	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92	139.2	176.1	-159	177.6	125.7	0	0	110.5	G361 V362 L363	E358-G361 WeakPolarHBondContact OE1-CA 3.49Å; E358-V362 WeakPolarHBondContact CA-O 3.3Å; E358-L363 HydrophobicContact CB-CD2 3.99Å; E358-L363 HydrophobicContact CG-CD2 4.29Å
359	N	79.4	Confident	81.1	Confident	85 Å²	85	93.2 Å²	93.2	46%	0.455	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	134	168.8	-63.4	-81.1	0	0	0	107.7	G361 V362 N364	N359-G361 PolarHBondContact O-N 3.48Å; N359-G361 VanDerWaalsContact O-N 3.11Å; N359-V362 PolarHBondContact N-O 3.43Å; N359-V362 PolarHBondContact O-N 2.89Å; N359-V362 VanDerWaalsContact O-O 3.11Å; N359-N364 PolarHBondContact ND2-OD1 3.26Å
360	D	84.7	Confident	81.5	Confident	172 Å²	172	91.2 Å²	91.2	92%	0.92	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	36.3	178.2	-53.6	-37.2	0	0	0	114.8	V362	D360-V362 VanDerWaalsContact C-N 3.35Å
361	G	83.1	Confident	82	Confident	60 Å²	60	86.3 Å²	86.3	62%	0.619	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.4	7.9	-178.3	0	0	0	0	0	115.2	E358 N359	E358-G361 WeakPolarHBondContact OE1-CA 3.49Å; N359-G361 PolarHBondContact O-N 3.48Å; N359-G361 VanDerWaalsContact O-N 3.11Å
362	V	79.4	Confident	82.4	Confident	70 Å²	70	81.5 Å²	81.5	42%	0.424	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	127.8	-177.8	-172.8	0	0	0	0	110.7	E358 N359 D360 V367	E358-V362 WeakPolarHBondContact CA-O 3.3Å; N359-V362 PolarHBondContact N-O 3.43Å; N359-V362 PolarHBondContact O-N 2.89Å; N359-V362 VanDerWaalsContact O-O 3.11Å; D360-V362 VanDerWaalsContact C-N 3.35Å; V362-V367 HydrophobicContact CG1-CG1 3.87Å
363	L	76.9	Confident	82.7	Confident	53 Å²	53	77.9 Å²	77.9	28%	0.277	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	133.4	171.8	-67.6	174.3	0	0	0	110.3	E358 K365 D366	E358-L363 HydrophobicContact CB-CD2 3.99Å; E358-L363 HydrophobicContact CG-CD2 4.29Å; L363-K365 HydrophobicContact CB-CG 4.18Å; L363-K365 HydrophobicContact CD1-CD 4.44Å; L363-K365 PolarHBondContact O-N 3.01Å; L363-D366 PolarHBondContact O-N 2.74Å
364	N	80.6	Confident	82.8	Confident	25 Å²	25	76.4 Å²	76.4	13%	0.134	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-47.5	-42.3	179.3	-83.9	-12.7	0	0	0	112.7	Y351 E352 R354 G355 V357 N359 D366 V367	Y351-N364 WeakPolarHBondContact CB-O 3.14Å; Y351-N364 HydrophobicContact CD2-CB 4.48Å; E352-N364 PolarHBondContact O-ND2 2.91Å; R354-N364 WeakPolarHBondContact O-CB 3.16Å; R354-N364 PolarHBondContact O-ND2 2.72Å; G355-N364 PolarHBondContact O-N 3.23Å; V357-N364 WeakPolarHBondContact O-CB 3.44Å; V357-N364 VanDerWaalsContact O-CG 3.3Å; V357-N364 PolarHBondContact O-N 2.8Å; N359-N364 PolarHBondContact ND2-OD1 3.26Å; N364-D366 PolarHBondContact O-N 3.1Å; N364-V367 WeakPolarHBondContact O-CG2 3.24Å; N364-V367 PolarHBondContact O-N 2.67Å; N364-V367 VanDerWaalsContact O-N 3.17Å
365	K	78.1	Confident	83.3	Confident	102 Å²	102	67 Å²	67	44%	0.443	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-56	-26.4	-179.4	73.8	-171.6	-174.6	-177.1	0	114.1	Y351 G355 L363	Y351-K365 HydrophobicContact CE1-CB 4.34Å; G355-K365 WeakPolarHBondContact O-CB 3.34Å; G355-K365 PolarHBondContact O-N 3.48Å; L363-K365 HydrophobicContact CB-CG 4.18Å; L363-K365 HydrophobicContact CD1-CD 4.44Å; L363-K365 PolarHBondContact O-N 3.01Å
366	D	78.1	Confident	84	Confident	87 Å²	87	66.5 Å²	66.5	47%	0.465	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-99.6	0.9	-173.1	-58.1	-55.3	0	0	0	112.9	L363 N364 W368	L363-D366 PolarHBondContact O-N 2.74Å; N364-D366 PolarHBondContact O-N 3.1Å; D366-W368 VanDerWaalsContact O-CD1 3.31Å; D366-W368 PolarHBondContact O-NE1 3Å
367	V	81.3	Confident	83.8	Confident	46 Å²	46	63.3 Å²	63.3	28%	0.279	33%	0.332	S	S	.	.			trans	-79.3	150.4	179.9	-46.3	0	0	0	0	113.2	K350 V362 N364	K350-V367 PolarHBondContact N-O 2.84Å; V362-V367 HydrophobicContact CG1-CG1 3.87Å; N364-V367 WeakPolarHBondContact O-CG2 3.24Å; N364-V367 PolarHBondContact O-N 2.67Å; N364-V367 VanDerWaalsContact O-N 3.17Å
368	W	79.5	Confident	83.8	Confident	146 Å²	146	61.6 Å²	61.6	55%	0.553	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.5	134	-178	-61.7	76.6	0	0	0	110.9	L347 P349 D366	L347-W368 HydrophobicContact CB-CB 4.31Å; L347-W368 HydrophobicContact CB-CE3 3.85Å; L347-W368 HydrophobicContact CD1-CB 4.28Å; L347-W368 HydrophobicContact CD2-CB 4.25Å; P349-W368 HydrophobicContact CB-CE3 4.32Å; P349-W368 HydrophobicContact CB-CH2 4.48Å; P349-W368 HydrophobicContact CB-CZ3 4.21Å; P349-W368 HydrophobicContact CG-CZ3 4.3Å; D366-W368 VanDerWaalsContact O-CD1 3.31Å; D366-W368 PolarHBondContact O-NE1 3Å
369	R	87	Confident	84.2	Confident	90 Å²	90	55.8 Å²	55.8	34%	0.34	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	133.4	176.6	-169.6	-163.3	66.3	148.1	4	110	V348 K350	V348-R369 HydrophobicContact CG2-CB 4.24Å; V348-R369 WeakPolarHBondContact CG2-O 3.36Å; V348-R369 PolarHBondContact N-O 3.45Å; V348-R369 PolarHBondContact O-N 2.75Å; K350-R369 HydrophobicContact CB-CB 4.28Å
370	I	84.6	Confident	84.9	Confident	30 Å²	30	53.4 Å²	53.4	15%	0.154	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	148.9	173.3	-66.5	166.3	0	0	0	110.8	P319 F321 Y345 Y346 L347 F372	P319-I370 HydrophobicContact CG-CD1 3.85Å; F321-I370 HydrophobicContact CE2-CD1 3.73Å; F321-I370 HydrophobicContact CZ-CD1 3.51Å; Y345-I370 HydrophobicContact CD2-CD1 4.49Å; Y345-I370 HydrophobicContact CD2-CG1 4.13Å; Y345-I370 HydrophobicContact CD2-CG2 4.1Å; Y345-I370 HydrophobicContact CE2-CD1 4.38Å; Y345-I370 HydrophobicContact CE2-CG1 4.23Å; Y346-I370 CarbonylContact O-C 3.49Å; Y346-I370 WeakPolarHBondContact O-CA 3.21Å; L347-I370 HydrophobicContact CD2-CG1 3.64Å; I370-F372 HydrophobicContact CG2-CD2 4Å; I370-F372 HydrophobicContact CG2-CE1 4.28Å; I370-F372 HydrophobicContact CG2-CE2 3.36Å; I370-F372 HydrophobicContact CG2-CZ 3.52Å
371	S	86	Confident	85.2	Confident	10 Å²	10	47.4 Å²	47.4	7%	0.07	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	132.8	173.1	-167.8	0	0	0	0	112	Y346 S373	Y346-S371 WeakPolarHBondContact CB-O 3.49Å; Y346-S371 PolarHBondContact N-O 3.45Å; Y346-S371 PolarHBondContact O-N 3.45Å; S371-S373 PolarHBondContact OG-N 2.67Å; S371-S373 PolarHBondContact OG-OG 3.05Å
372	F	90.3	Very high	85.7	Confident	4 Å²	4	50 Å²	50	2%	0.018	24%	0.241	C	C	.	.			trans	-109.5	26.2	172.9	-61.4	-74.7	0	0	0	111.6	W318 T322 I370 H374 I375 E376 F474	W318-F372 HydrophobicContact CD2-CD1 4.25Å; W318-F372 AromaticContact CD2-CE1 3.44Å; W318-F372 HydrophobicContact CD2-CE1 3.44Å; W318-F372 VanDerWaalsContact CD2-CE1 3.44Å; W318-F372 HydrophobicContact CD2-CZ 4.03Å; W318-F372 AromaticContact CE2-CD1 3.9Å; W318-F372 AromaticContact CE2-CE1 3.47Å; W318-F372 VanDerWaalsContact CE2-CE1 3.47Å; W318-F372 HydrophobicContact CE3-CD1 4.31Å; W318-F372 AromaticContact CE3-CE1 3.61Å; W318-F372 HydrophobicContact CE3-CE1 3.61Å; W318-F372 AromaticContact CE3-CZ 3.9Å; W318-F372 HydrophobicContact CE3-CZ 3.9Å; W318-F372 HydrophobicContact CG-CE1 4.03Å; W318-F372 HydrophobicContact CG-CZ 4.48Å; W318-F372 AromaticContact CH2-CD1 3.72Å; W318-F372 HydrophobicContact CH2-CD1 3.72Å; W318-F372 AromaticContact CH2-CE1 3.87Å; W318-F372 HydrophobicContact CH2-CE1 3.87Å; W318-F372 HydrophobicContact CH2-CG 4.46Å; W318-F372 AromaticContact CZ2-CD1 3.65Å; W318-F372 HydrophobicContact CZ2-CD1 3.65Å; W318-F372 AromaticContact CZ2-CE1 3.71Å; W318-F372 HydrophobicContact CZ2-CE1 3.71Å; W318-F372 HydrophobicContact CZ3-CD1 4.06Å; W318-F372 AromaticContact CZ3-CE1 3.83Å; W318-F372 HydrophobicContact CZ3-CE1 3.83Å; W318-F372 HydrophobicContact CZ3-CZ 4.26Å; T322-F372 HydrophobicContact CG2-CE2 4.28Å; T322-F372 HydrophobicContact CG2-CZ 4.04Å; I370-F372 HydrophobicContact CG2-CD2 4Å; I370-F372 HydrophobicContact CG2-CE1 4.28Å; I370-F372 HydrophobicContact CG2-CE2 3.36Å; I370-F372 HydrophobicContact CG2-CZ 3.52Å; F372-H374 PolarHBondContact O-N 3.38Å; F372-I375 HydrophobicContact CB-CB 4.32Å; F372-I375 HydrophobicContact CB-CG1 4.3Å; F372-I375 HydrophobicContact CD1-CG1 4.43Å; F372-I375 WeakPolarHBondContact O-CA 3.34Å; F372-I375 WeakPolarHBondContact O-CB 3.48Å; F372-I375 PolarHBondContact O-N 3.29Å; F372-E376 PolarHBondContact O-N 3Å; F372-F474 HydrophobicContact CB-CD1 3.73Å; F372-F474 HydrophobicContact CB-CD2 3.96Å; F372-F474 HydrophobicContact CB-CE1 3.65Å; F372-F474 HydrophobicContact CB-CE2 3.9Å; F372-F474 HydrophobicContact CB-CG 3.89Å; F372-F474 HydrophobicContact CB-CZ 3.74Å; F372-F474 HydrophobicContact CD1-CD1 4.3Å; F372-F474 HydrophobicContact CD2-CB 3.33Å; F372-F474 AromaticContact CD2-CD1 3.75Å; F372-F474 HydrophobicContact CD2-CD1 3.75Å; F372-F474 AromaticContact CD2-CD2 3.93Å; F372-F474 HydrophobicContact CD2-CD2 3.93Å; F372-F474 AromaticContact CD2-CG 3.39Å; F372-F474 HydrophobicContact CD2-CG 3.39Å; F372-F474 HydrophobicContact CE2-CB 3.55Å; F372-F474 HydrophobicContact CE2-CD1 4.44Å; F372-F474 HydrophobicContact CE2-CG 4.11Å; F372-F474 HydrophobicContact CG-CB 4.16Å; F372-F474 AromaticContact CG-CD1 3.66Å; F372-F474 HydrophobicContact CG-CD1 3.66Å; F372-F474 HydrophobicContact CG-CD2 4.27Å; F372-F474 HydrophobicContact CG-CE1 4.08Å; F372-F474 AromaticContact CG-CG 3.77Å; F372-F474 HydrophobicContact CG-CG 3.77Å
373	S	84.6	Confident	86.5	Confident	62 Å²	62	47 Å²	47	43%	0.434	22%	0.222	S	C	.	.	H	α-helix	trans	-52.9	-31.5	-174	-63.1	0	0	0	0	114.2	S371 K377	S371-S373 PolarHBondContact OG-N 2.67Å; S371-S373 PolarHBondContact OG-OG 3.05Å; S373-K377 WeakPolarHBondContact O-CB 3.33Å; S373-K377 PolarHBondContact O-N 3.1Å
374	H	82.1	Confident	87.4	Confident	40 Å²	40	45 Å²	45	19%	0.185	21%	0.214	C	C	.	.	H	α-helix	trans	-73.7	-36.1	176.1	71.7	-77.5	0	0	0	112.7	P344 Y346 F372 K377 D378	P344-H374 PolarHBondContact O-CE1 3.36Å; P344-H374 PolarHBondContact O-NE2 2.99Å; Y346-H374 AromaticContact CD2-CE1 3.62Å; Y346-H374 AromaticContact CD2-ND1 3.35Å; Y346-H374 WeakPolarHBondContact CD2-ND1 3.17Å; Y346-H374 AromaticContact CE2-CE1 3.41Å; Y346-H374 VanDerWaalsContact CE2-CE1 3.41Å; Y346-H374 WeakPolarHBondContact CE2-CE1 3.26Å; Y346-H374 AromaticContact CE2-CG 3.78Å; Y346-H374 AromaticContact CE2-ND1 3.14Å; Y346-H374 WeakPolarHBondContact CE2-ND1 3.41Å; F372-H374 PolarHBondContact O-N 3.38Å; H374-K377 WeakPolarHBondContact O-CB 3.24Å; H374-K377 PolarHBondContact O-N 2.91Å; H374-D378 PolarHBondContact O-N 3.35Å
375	I	91.2	Very high	88	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-68.8	-42.8	170.8	-50.8	-60.7	0	0	0	110.5	W318 L326 Y340 K343 F372 K377 D378 I379 F474	W318-I375 HydrophobicContact CH2-CG1 4.06Å; W318-I375 HydrophobicContact CZ2-CD1 4.1Å; W318-I375 HydrophobicContact CZ2-CG1 3.82Å; L326-I375 HydrophobicContact CD1-CG2 4.45Å; Y340-I375 HydrophobicContact CD1-CD1 3.99Å; Y340-I375 HydrophobicContact CD1-CG2 4.17Å; Y340-I375 HydrophobicContact CD2-CG2 3.73Å; Y340-I375 HydrophobicContact CE2-CG2 4.25Å; Y340-I375 HydrophobicContact CG-CD1 4.14Å; Y340-I375 HydrophobicContact CG-CG2 3.7Å; K343-I375 HydrophobicContact CB-CD1 3.99Å; K343-I375 HydrophobicContact CD-CD1 3.74Å; K343-I375 HydrophobicContact CG-CD1 4.35Å; F372-I375 HydrophobicContact CB-CB 4.32Å; F372-I375 HydrophobicContact CB-CG1 4.3Å; F372-I375 HydrophobicContact CD1-CG1 4.43Å; F372-I375 WeakPolarHBondContact O-CA 3.34Å; F372-I375 WeakPolarHBondContact O-CB 3.48Å; F372-I375 PolarHBondContact O-N 3.29Å; I375-K377 PolarHBondContact O-N 3.2Å; I375-D378 PolarHBondContact O-N 2.84Å; I375-D378 VanDerWaalsContact O-N 3.17Å; I375-I379 HydrophobicContact CG2-CD1 3.8Å; I375-I379 HydrophobicContact CG2-CG1 4.26Å; I375-I379 WeakPolarHBondContact O-CB 3.47Å; I375-I379 WeakPolarHBondContact O-CG1 3.49Å; I375-I379 PolarHBondContact O-N 3.35Å; I375-F474 HydrophobicContact CB-CE1 3.99Å; I375-F474 HydrophobicContact CB-CZ 4.22Å; I375-F474 HydrophobicContact CG2-CE1 3.76Å; I375-F474 HydrophobicContact CG2-CZ 4.17Å
376	E	92	Very high	88.9	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.009	23%	0.229	C	C	.	.	H	α-helix	trans	-58.4	-39.2	174.7	-66.9	172.1	-160.8	0	0	111.6	F372 I380 Y426 K429 F474	F372-E376 PolarHBondContact O-N 3Å; E376-I380 WeakPolarHBondContact O-CB 3.34Å; E376-I380 VanDerWaalsContact O-CG1 3.24Å; E376-I380 WeakPolarHBondContact O-CG1 3.47Å; E376-I380 PolarHBondContact O-N 3.29Å; E376-Y426 VanDerWaalsContact OE1-CE2 3.23Å; E376-Y426 WeakPolarHBondContact OE1-CE2 3.34Å; E376-Y426 PolarHBondContact OE1-OH 2.84Å; E376-Y426 WeakPolarHBondContact OE2-CE2 3.46Å; E376-K429 HydrophobicContact CB-CD 4.2Å; E376-K429 HydrophobicContact CG-CD 4.34Å; E376-K429 WeakPolarHBondContact OE2-CD 3.48Å; E376-K429 WeakPolarHBondContact OE2-CE 3.31Å; E376-K429 IonicContact OE2-NZ 2.83Å; E376-K429 PolarHBondContact OE2-NZ 3.16Å; E376-F474 HydrophobicContact CG-CE2 3.44Å; E376-F474 VanDerWaalsContact CG-CE2 3.44Å; E376-F474 HydrophobicContact CG-CZ 3.59Å
377	K	83.7	Confident	89.6	Confident	70 Å²	70	51.8 Å²	51.8	30%	0.304	25%	0.247	S	C	.	.	H	α-helix	trans	-62.7	-51.8	172.7	-176.6	-171	-179	-172.3	0	111	D245 D247 S373 H374 I375 I379 I380 K381	D245-K377 WeakPolarHBondContact OD1-CE 3.21Å; D245-K377 IonicContact OD1-NZ 2.66Å; D245-K377 WeakPolarHBondContact OD2-CE 3.11Å; D245-K377 IonicContact OD2-NZ 3.97Å; D247-K377 IonicContact OD2-NZ 3.73Å; D247-K377 PolarHBondContact OD2-NZ 3.29Å; S373-K377 WeakPolarHBondContact O-CB 3.33Å; S373-K377 PolarHBondContact O-N 3.1Å; H374-K377 WeakPolarHBondContact O-CB 3.24Å; H374-K377 PolarHBondContact O-N 2.91Å; I375-K377 PolarHBondContact O-N 3.2Å; K377-I379 VanDerWaalsContact C-N 3.33Å; K377-I379 PolarHBondContact O-N 3.05Å; K377-I380 PolarHBondContact O-N 2.97Å; K377-K381 WeakPolarHBondContact O-CB 3.23Å; K377-K381 PolarHBondContact O-N 2.73Å
378	D	89.4	Confident	90.3	Very high	17 Å²	17	52.5 Å²	52.5	9%	0.091	25%	0.252	C	S	.	.	H	α-helix	trans	-58.2	-41.1	178.9	-112.9	-27	0	0	0	112.4	Y340 K343 H374 I375 K381 K382	Y340-D378 HydrophobicContact CE1-CB 3.7Å; K343-D378 IonicContact NZ-OD2 2.78Å; K343-D378 PolarHBondContact NZ-OD2 2.62Å; H374-D378 PolarHBondContact O-N 3.35Å; I375-D378 PolarHBondContact O-N 2.84Å; I375-D378 VanDerWaalsContact O-N 3.17Å; D378-K381 WeakPolarHBondContact O-CB 3.42Å; D378-K381 PolarHBondContact O-N 3.13Å; D378-K382 WeakPolarHBondContact O-CB 2.95Å; D378-K382 PolarHBondContact O-N 2.83Å; D378-K382 IonicContact OD1-NZ 3.67Å; D378-K382 PolarHBondContact OD1-NZ 3.4Å
379	I	96.4	Very high	91.2	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-66.1	-49	175.4	-69.5	167.8	0	0	0	111.5	L326 W331 L332 Y340 I375 K377 K381 K382 H383 L433 F473 F474	L326-I379 HydrophobicContact CD1-CD1 3.74Å; W331-I379 HydrophobicContact CH2-CG2 3.41Å; W331-I379 VanDerWaalsContact CH2-CG2 3.41Å; W331-I379 HydrophobicContact CZ2-CG2 4.32Å; W331-I379 HydrophobicContact CZ3-CG2 3.76Å; L332-I379 HydrophobicContact CD1-CG1 4.16Å; L332-I379 HydrophobicContact CD1-CG2 4.19Å; Y340-I379 HydrophobicContact CD2-CD1 4.47Å; Y340-I379 HydrophobicContact CD2-CG1 4.27Å; Y340-I379 HydrophobicContact CE2-CD1 4.18Å; Y340-I379 HydrophobicContact CE2-CG1 3.52Å; I375-I379 HydrophobicContact CG2-CD1 3.8Å; I375-I379 HydrophobicContact CG2-CG1 4.26Å; I375-I379 WeakPolarHBondContact O-CB 3.47Å; I375-I379 WeakPolarHBondContact O-CG1 3.49Å; I375-I379 PolarHBondContact O-N 3.35Å; K377-I379 VanDerWaalsContact C-N 3.33Å; K377-I379 PolarHBondContact O-N 3.05Å; I379-K381 PolarHBondContact O-N 3.23Å; I379-K382 CarbonylContact O-C 3.53Å; I379-K382 PolarHBondContact O-N 3.46Å; I379-H383 VanDerWaalsContact O-CA 3.24Å; I379-H383 WeakPolarHBondContact O-CA 3.42Å; I379-H383 WeakPolarHBondContact O-CB 3.35Å; I379-H383 PolarHBondContact O-N 2.94Å; I379-L433 HydrophobicContact CB-CD2 4.49Å; I379-L433 HydrophobicContact CG2-CD2 3.56Å; I379-F473 HydrophobicContact CD1-CE1 4.14Å; I379-F474 HydrophobicContact CD1-CZ 4.45Å
380	I	94.7	Very high	91.5	Very high	35 Å²	35	44.4 Å²	44.4	18%	0.179	23%	0.231	C	C	.	.	H	α-helix	trans	-66.3	-30.1	179.2	-67.2	-65.3	0	0	0	111	E376 K377 H383 K400 L403 L432 L433	E376-I380 WeakPolarHBondContact O-CB 3.34Å; E376-I380 VanDerWaalsContact O-CG1 3.24Å; E376-I380 WeakPolarHBondContact O-CG1 3.47Å; E376-I380 PolarHBondContact O-N 3.29Å; K377-I380 PolarHBondContact O-N 2.97Å; I380-H383 PolarHBondContact O-ND1 2.92Å; I380-K400 WeakPolarHBondContact O-CE 3.17Å; I380-L403 HydrophobicContact CD1-CD2 3.96Å; I380-L432 HydrophobicContact CD1-CD2 3.68Å; I380-L433 HydrophobicContact CD1-CD2 4.45Å
381	K	90.3	Very high	92	Very high	47 Å²	47	48.4 Å²	48.4	20%	0.204	25%	0.249	C	C	.	.	H	α-helix	trans	-65.1	-61.5	171.7	-172.4	178.4	-168.9	162.7	0	110	D245 K377 D378 I379 H383 K400	D245-K381 VanDerWaalsContact OD2-CD 3.24Å; D245-K381 WeakPolarHBondContact OD2-CD 3.3Å; D245-K381 WeakPolarHBondContact OD2-CE 3.38Å; D245-K381 IonicContact OD2-NZ 2.74Å; D245-K381 PolarHBondContact OD2-NZ 2.83Å; K377-K381 WeakPolarHBondContact O-CB 3.23Å; K377-K381 PolarHBondContact O-N 2.73Å; D378-K381 WeakPolarHBondContact O-CB 3.42Å; D378-K381 PolarHBondContact O-N 3.13Å; I379-K381 PolarHBondContact O-N 3.23Å; K381-H383 PolarHBondContact O-N 2.8Å; K381-H383 PolarHBondContact O-ND1 3.4Å; K381-K400 PolarHBondContact O-NZ 2.69Å
382	K	93.6	Very high	92.2	Very high	114 Å²	114	60.2 Å²	60.2	50%	0.496	29%	0.292	S	S	.	.	S	Bend	trans	-97.5	69.3	-178.4	-58	159.9	-178.3	154.7	0	110.6	L332 D378 I379	L332-K382 WeakPolarHBondContact CD2-O 3.49Å; D378-K382 WeakPolarHBondContact O-CB 2.95Å; D378-K382 PolarHBondContact O-N 2.83Å; D378-K382 IonicContact OD1-NZ 3.67Å; D378-K382 PolarHBondContact OD1-NZ 3.4Å; I379-K382 CarbonylContact O-C 3.53Å; I379-K382 PolarHBondContact O-N 3.46Å
383	H	95.6	Very high	92.1	Very high	6 Å²	6	64.1 Å²	64.1	3%	0.028	33%	0.333	C	S	.	.			trans	-99.9	-0	-166.8	59.6	-71.8	0	0	0	113.8	W331 I379 I380 K381 C397 R399 K400	W331-H383 HydrophobicContact CZ2-CB 4.25Å; W331-H383 WeakPolarHBondContact CZ2-O 3.46Å; W331-H383 PolarHBondContact NE1-O 3.48Å; I379-H383 VanDerWaalsContact O-CA 3.24Å; I379-H383 WeakPolarHBondContact O-CA 3.42Å; I379-H383 WeakPolarHBondContact O-CB 3.35Å; I379-H383 PolarHBondContact O-N 2.94Å; I380-H383 PolarHBondContact O-ND1 2.92Å; K381-H383 PolarHBondContact O-N 2.8Å; K381-H383 PolarHBondContact O-ND1 3.4Å; H383-C397 PolarHBondContact CD2-SG 3.08Å; H383-C397 PolarHBondContact NE2-SG 3.35Å; H383-R399 VanDerWaalsContact O-CZ 3.3Å; H383-R399 PolarHBondContact O-NH1 3.02Å; H383-K400 PolarHBondContact CE1-NZ 2.77Å; H383-K400 VanDerWaalsContact ND1-CE 3.34Å; H383-K400 WeakPolarHBondContact ND1-CE 3.34Å; H383-K400 PolarHBondContact ND1-NZ 3.02Å
384	G	95.6	Very high	92.4	Very high	11 Å²	11	62.3 Å²	62.3	11%	0.113	33%	0.325	C	S	.	.			trans	-87.1	152.5	-179.2	0	0	0	0	0	113.4	L332 E386 D442	L332-G384 WeakPolarHBondContact CD2-O 3.26Å; G384-E386 VanDerWaalsContact C-N 3.35Å; G384-D442 WeakPolarHBondContact CA-OD1 3.17Å
385	S	94.6	Very high	93	Very high	56 Å²	56	63.2 Å²	63.2	39%	0.392	34%	0.339	S	S	.	.	S	Bend	trans	-69.3	-39.1	159.3	44.1	0	0	0	0	110.8	R441 D442	S385-R441 WeakPolarHBondContact OG-CA 3.39Å; S385-D442 PolarHBondContact N-OD1 3.49Å; S385-D442 PolarHBondContact N-OD2 3.04Å; S385-D442 PolarHBondContact OG-N 2.92Å; S385-D442 VanDerWaalsContact OG-N 3.1Å; S385-D442 PolarHBondContact OG-OD1 3.05Å; S385-D442 PolarHBondContact OG-OD2 3.46Å
386	E	95.3	Very high	93.2	Very high	104 Å²	104	67 Å²	67	49%	0.486	37%	0.365	S	S	.	.	S	Bend	trans	-85.1	139.5	167.1	-64.2	177.1	-156.6	0	0	110.2	G384 T388 C389 D442	G384-E386 VanDerWaalsContact C-N 3.35Å; E386-T388 PolarHBondContact O-N 3.27Å; E386-T388 PolarHBondContact OE2-OG1 2.77Å; E386-C389 WeakPolarHBondContact O-CB 3.34Å; E386-C389 PolarHBondContact O-N 3.01Å; E386-D442 WeakPolarHBondContact CB-OD2 3.35Å; E386-D442 PolarHBondContact N-OD2 3.3Å
387	K	94.5	Very high	93.5	Very high	198 Å²	198	67.1 Å²	67.1	86%	0.861	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-32.7	177.1	-64.1	173.3	-176.2	168.9	0	112.1	C389	K387-C389 VanDerWaalsContact C-N 3.31Å; K387-C389 PolarHBondContact O-N 3.24Å
388	T	96.2	Very high	94.1	Very high	61 Å²	61	63.9 Å²	63.9	37%	0.374	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-4.4	-179.3	36.5	0	0	0	0	114.6	E386 C390 E391 G394	E386-T388 PolarHBondContact O-N 3.27Å; E386-T388 PolarHBondContact OE2-OG1 2.77Å; T388-C390 PolarHBondContact O-N 2.85Å; T388-C390 VanDerWaalsContact O-N 3.12Å; T388-E391 WeakPolarHBondContact O-CB 3.16Å; T388-E391 PolarHBondContact O-N 2.7Å; T388-G394 WeakPolarHBondContact O-CA 3.41Å
389	C	97.1	Very high	94.6	Very high	10 Å²	10	63.1 Å²	63.1	7%	0.068	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	117.3	-176.3	177.7	0	0	0	0	112.2	E386 K387 E391	E386-C389 WeakPolarHBondContact O-CB 3.34Å; E386-C389 PolarHBondContact O-N 3.01Å; K387-C389 VanDerWaalsContact C-N 3.31Å; K387-C389 PolarHBondContact O-N 3.24Å; C389-E391 PolarHBondContact O-N 2.82Å
390	C	94.4	Very high	94.6	Very high	56 Å²	56	66.9 Å²	66.9	38%	0.378	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	62	20.3	-172.5	-51.6	0	0	0	0	115.3	T388 A395 C397	T388-C390 PolarHBondContact O-N 2.85Å; T388-C390 VanDerWaalsContact O-N 3.12Å; C390-A395 PolarHBondContact N-O 2.71Å; C390-C397 PolarHBondContact SG-N 3.39Å
391	E	93.7	Very high	94.6	Very high	114 Å²	114	68.9 Å²	68.9	53%	0.533	37%	0.373	S	S	.	.	S	Bend	trans	-89.2	173.3	167.8	-57.9	-161.4	137	0	0	111.6	T388 C389 G393 G394	T388-E391 WeakPolarHBondContact O-CB 3.16Å; T388-E391 PolarHBondContact O-N 2.7Å; C389-E391 PolarHBondContact O-N 2.82Å; E391-G393 PolarHBondContact O-N 3.2Å; E391-G393 VanDerWaalsContact O-N 3.17Å; E391-G394 PolarHBondContact O-N 3.27Å; E391-G394 VanDerWaalsContact O-N 3.16Å
392	R	91.8	Very high	95	Very high	257 Å²	257	66.6 Å²	66.6	97%	0.97	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	115.8	178.9	-177.7	-175.4	-68.1	-158	-0	110	G394	R392-G394 VanDerWaalsContact C-N 3.33Å
393	G	87.3	Confident	95.2	Very high	87 Å²	87	62 Å²	62	90%	0.897	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.7	-2.1	-178.7	0	0	0	0	0	114.6	E391	E391-G393 PolarHBondContact O-N 3.2Å; E391-G393 VanDerWaalsContact O-N 3.17Å
394	G	91.6	Very high	95.2	Very high	24 Å²	24	65 Å²	65	25%	0.247	36%	0.357	C	S	.	.	S	Bend	trans	-93.1	165.5	172.2	0	0	0	0	0	113.1	T388 E391 R392	T388-G394 WeakPolarHBondContact O-CA 3.41Å; E391-G394 PolarHBondContact O-N 3.27Å; E391-G394 VanDerWaalsContact O-N 3.16Å; R392-G394 VanDerWaalsContact C-N 3.33Å
395	A	94.1	Very high	95.3	Very high	59 Å²	59	64.5 Å²	64.5	49%	0.488	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-62.8	140.7	175.3	0	0	0	0	0	111.4	C390	C390-A395 PolarHBondContact N-O 2.71Å
396	S	95.6	Very high	95.5	Very high	78 Å²	78	61.9 Å²	61.9	55%	0.545	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-95.2	143.3	175.9	63.7	0	0	0	0	111.4	A447	S396-A447 WeakPolarHBondContact O-CB 3.48Å; S396-A447 PolarHBondContact O-N 3.34Å; S396-A447 VanDerWaalsContact OG-CB 3.28Å; S396-A447 WeakPolarHBondContact OG-CB 3.36Å
397	C	97.7	Very high	95.6	Very high	6 Å²	6	61 Å²	61	4%	0.041	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-127.2	161.3	-177.9	94.4	0	0	0	0	112.2	H383 C390 R399 W445	H383-C397 PolarHBondContact CD2-SG 3.08Å; H383-C397 PolarHBondContact NE2-SG 3.35Å; C390-C397 PolarHBondContact SG-N 3.39Å; C397-R399 PolarHBondContact SG-NH1 3.32Å; C397-R399 VanDerWaalsContact SG-NH1 3.43Å; C397-W445 CarbonylContact C-O 3.49Å; C397-W445 WeakPolarHBondContact CA-O 3.49Å; C397-W445 HydrophobicContact CB-CB 4.32Å; C397-W445 VanDerWaalsContact CB-O 3.23Å; C397-W445 WeakPolarHBondContact CB-O 3.37Å
398	C	97.6	Very high	95.6	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.007	29%	0.291	C	S	.	.	S	Bend	trans	-93.5	-3.3	-179.4	60.4	0	0	0	0	115	K400 H401 C402 W445 G446 L450 C453	C398-K400 VanDerWaalsContact C-N 3.34Å; C398-K400 PolarHBondContact O-N 3.15Å; C398-K400 VanDerWaalsContact O-N 3.15Å; C398-H401 CarbonylContact O-C 3.43Å; C398-H401 WeakPolarHBondContact O-CA 2.98Å; C398-H401 VanDerWaalsContact O-CB 3.32Å; C398-H401 WeakPolarHBondContact O-CB 3.33Å; C398-H401 PolarHBondContact O-N 3.37Å; C398-C402 PolarHBondContact O-N 3.19Å; C398-C402 PolarHBondContact O-SG 3.41Å; C398-C402 VanDerWaalsContact O-SG 3.38Å; C398-W445 PolarHBondContact N-O 3.14Å; C398-W445 VanDerWaalsContact SG-C 3.56Å; C398-W445 PolarHBondContact SG-O 3.39Å; C398-G446 PolarHBondContact SG-O 2.88Å; C398-G446 VanDerWaalsContact SG-O 3.41Å; C398-L450 HydrophobicContact CB-CD1 3.87Å; C398-C453 WeakPolarHBondContact SG-CB 3.36Å
399	R	98.2	Very high	95.7	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.008	27%	0.273	C	S	.	.	H	α-helix	trans	-47.5	-49.7	-175.7	-68.2	-172.2	-169.6	94.5	-18.5	114	H383 C397 H401 L403 T440 R441 D442 W445	H383-R399 VanDerWaalsContact O-CZ 3.3Å; H383-R399 PolarHBondContact O-NH1 3.02Å; C397-R399 PolarHBondContact SG-NH1 3.32Å; C397-R399 VanDerWaalsContact SG-NH1 3.43Å; R399-H401 VanDerWaalsContact C-N 3.31Å; R399-H401 PolarHBondContact O-N 3.1Å; R399-L403 PolarHBondContact O-N 3.18Å; R399-L403 VanDerWaalsContact O-N 3.13Å; R399-T440 PolarHBondContact NH2-O 3.43Å; R399-R441 PolarHBondContact NH2-O 3.47Å; R399-D442 IonicContact CZ-OD1 3.12Å; R399-D442 IonicContact NH1-OD1 2.79Å; R399-D442 PolarHBondContact NH1-OD1 3.24Å; R399-D442 IonicContact NH2-OD1 3.17Å; R399-D442 PolarHBondContact NH2-OD1 3.33Å; R399-W445 HydrophobicContact CG-CB 3.73Å; R399-W445 HydrophobicContact CG-CD2 3.52Å; R399-W445 HydrophobicContact CG-CE3 3.87Å; R399-W445 HydrophobicContact CG-CG 3.46Å; R399-W445 VanDerWaalsContact CG-CG 3.46Å; R399-W445 VanDerWaalsContact NE-CD1 3.28Å
400	K	96.4	Very high	95.7	Very high	79 Å²	79	49.3 Å²	49.3	34%	0.343	27%	0.271	S	S	.	.	H	α-helix	trans	-64.7	-33.5	177.2	-72.9	175.5	178.1	166.7	0	112.7	I380 K381 H383 C398 K404	I380-K400 WeakPolarHBondContact O-CE 3.17Å; K381-K400 PolarHBondContact O-NZ 2.69Å; H383-K400 PolarHBondContact CE1-NZ 2.77Å; H383-K400 VanDerWaalsContact ND1-CE 3.34Å; H383-K400 WeakPolarHBondContact ND1-CE 3.34Å; H383-K400 PolarHBondContact ND1-NZ 3.02Å; C398-K400 VanDerWaalsContact C-N 3.34Å; C398-K400 PolarHBondContact O-N 3.15Å; C398-K400 VanDerWaalsContact O-N 3.15Å; K400-K404 WeakPolarHBondContact O-CG 3.23Å; K400-K404 PolarHBondContact O-N 3.28Å; K400-K404 VanDerWaalsContact O-N 3.16Å
401	H	96.3	Very high	95.7	Very high	76 Å²	76	51.3 Å²	51.3	35%	0.352	27%	0.274	S	S	.	.	H	α-helix	trans	-74.4	-46.3	179.1	-65.4	126.3	0	0	0	111.7	L190 C398 R399 L403 K404 L405 L450	L190-H401 HydrophobicContact CD1-CB 3.67Å; L190-H401 HydrophobicContact CD2-CB 4.04Å; C398-H401 CarbonylContact O-C 3.43Å; C398-H401 WeakPolarHBondContact O-CA 2.98Å; C398-H401 VanDerWaalsContact O-CB 3.32Å; C398-H401 WeakPolarHBondContact O-CB 3.33Å; C398-H401 PolarHBondContact O-N 3.37Å; R399-H401 VanDerWaalsContact C-N 3.31Å; R399-H401 PolarHBondContact O-N 3.1Å; H401-L403 VanDerWaalsContact C-N 3.27Å; H401-L403 PolarHBondContact O-N 2.85Å; H401-K404 WeakPolarHBondContact O-CB 2.8Å; H401-K404 PolarHBondContact O-N 3.29Å; H401-K404 VanDerWaalsContact O-N 3.1Å; H401-L405 WeakPolarHBondContact O-CG 3.37Å; H401-L405 PolarHBondContact O-N 2.85Å; H401-L450 HydrophobicContact CB-CD1 3.87Å
402	C	98.4	Very high	95.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-58.3	-38.6	173	-57.4	0	0	0	0	111.8	C398 L405 L406 W445 F454 L457	C398-C402 PolarHBondContact O-N 3.19Å; C398-C402 PolarHBondContact O-SG 3.41Å; C398-C402 VanDerWaalsContact O-SG 3.38Å; C402-L405 PolarHBondContact O-N 3.23Å; C402-L406 WeakPolarHBondContact O-CB 3.44Å; C402-L406 PolarHBondContact O-N 2.86Å; C402-W445 HydrophobicContact CB-CZ3 4.26Å; C402-F454 HydrophobicContact CB-CD2 4.41Å; C402-L457 HydrophobicContact CB-CD2 3.68Å
403	L	98.1	Very high	95.9	Very high	18 Å²	18	35.1 Å²	35.1	9%	0.094	21%	0.211	C	C	.	.	H	α-helix	trans	-64.6	-42.8	173.5	-178.7	61.5	0	0	0	112.8	I380 R399 H401 K407 K429 L432	I380-L403 HydrophobicContact CD1-CD2 3.96Å; R399-L403 PolarHBondContact O-N 3.18Å; R399-L403 VanDerWaalsContact O-N 3.13Å; H401-L403 VanDerWaalsContact C-N 3.27Å; H401-L403 PolarHBondContact O-N 2.85Å; L403-K407 HydrophobicContact CD1-CD 4.23Å; L403-K407 HydrophobicContact CD1-CG 4.16Å; L403-K407 HydrophobicContact CG-CD 4.27Å; L403-K407 VanDerWaalsContact O-CB 3.32Å; L403-K407 WeakPolarHBondContact O-CB 3.34Å; L403-K407 WeakPolarHBondContact O-CG 3.25Å; L403-K407 PolarHBondContact O-N 3.46Å; L403-K429 HydrophobicContact CD1-CB 4.37Å; L403-L432 HydrophobicContact CB-CD1 4.18Å; L403-L432 HydrophobicContact CB-CD2 3.98Å; L403-L432 HydrophobicContact CD1-CB 4.2Å; L403-L432 HydrophobicContact CD1-CD2 4.43Å; L403-L432 HydrophobicContact CD2-CD2 4.11Å; L403-L432 HydrophobicContact CG-CD2 4.38Å
404	K	95.6	Very high	96.3	Very high	68 Å²	68	33.4 Å²	33.4	30%	0.296	18%	0.179	S	C	.	.	H	α-helix	trans	-60.1	-48.3	176	-79.1	-176.2	176.1	-168.7	0	110.9	L190 L193 K400 H401 K407 H408	L190-K404 HydrophobicContact CD2-CB 3.99Å; L190-K404 HydrophobicContact CD2-CD 4.29Å; L193-K404 HydrophobicContact CB-CD 4.47Å; L193-K404 PolarHBondContact O-NZ 3.39Å; K400-K404 WeakPolarHBondContact O-CG 3.23Å; K400-K404 PolarHBondContact O-N 3.28Å; K400-K404 VanDerWaalsContact O-N 3.16Å; H401-K404 WeakPolarHBondContact O-CB 2.8Å; H401-K404 PolarHBondContact O-N 3.29Å; H401-K404 VanDerWaalsContact O-N 3.1Å; K404-K407 PolarHBondContact O-N 3.06Å; K404-H408 WeakPolarHBondContact O-CB 3.41Å; K404-H408 PolarHBondContact O-N 2.97Å
405	L	97.9	Very high	96.3	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61.4	-47.8	178.5	-69.6	164.2	0	0	0	111.7	L186 T189 L190 H401 C402 K407 H408 L409 L450 F454 F507	L186-L405 HydrophobicContact CB-CD1 4.18Å; L186-L405 HydrophobicContact CD1-CD1 4.48Å; L186-L405 HydrophobicContact CD2-CD1 4.04Å; L186-L405 HydrophobicContact CD2-CD2 3.96Å; L186-L405 HydrophobicContact CG-CD1 4.45Å; T189-L405 HydrophobicContact CG2-CD2 3.89Å; L190-L405 HydrophobicContact CD1-CD1 4.08Å; L190-L405 HydrophobicContact CD1-CG 4.48Å; L190-L405 HydrophobicContact CD2-CD1 4.34Å; L190-L405 HydrophobicContact CD2-CD2 4.22Å; L190-L405 HydrophobicContact CD2-CG 3.88Å; L190-L405 HydrophobicContact CG-CD1 4.2Å; L190-L405 HydrophobicContact CG-CD2 4.07Å; L190-L405 HydrophobicContact CG-CG 4.07Å; H401-L405 WeakPolarHBondContact O-CG 3.37Å; H401-L405 PolarHBondContact O-N 2.85Å; C402-L405 PolarHBondContact O-N 3.23Å; L405-K407 VanDerWaalsContact C-N 3.33Å; L405-K407 PolarHBondContact O-N 3.43Å; L405-H408 PolarHBondContact O-N 3.23Å; L405-L409 WeakPolarHBondContact O-CB 3.47Å; L405-L409 PolarHBondContact O-N 3.21Å; L405-L450 HydrophobicContact CD1-CD1 3.97Å; L405-L450 HydrophobicContact CD1-CD2 4.46Å; L405-L450 HydrophobicContact CD1-CG 4.39Å; L405-F454 HydrophobicContact CB-CD1 4.28Å; L405-F454 HydrophobicContact CB-CD2 3.93Å; L405-F454 HydrophobicContact CB-CE1 3.92Å; L405-F454 HydrophobicContact CB-CE2 3.57Å; L405-F454 HydrophobicContact CB-CG 4.29Å; L405-F454 HydrophobicContact CB-CZ 3.56Å; L405-F454 HydrophobicContact CD1-CD1 4.14Å; L405-F454 HydrophobicContact CD1-CE1 4.47Å; L405-F454 HydrophobicContact CD1-CG 4.16Å; L405-F507 HydrophobicContact CD2-CE2 3.88Å; L405-F507 HydrophobicContact CD2-CZ 4.13Å
406	L	98.4	Very high	96.2	Very high	1 Å²	1	41 Å²	41	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-62.5	-40.3	178.1	-175	62.5	0	0	0	112.1	C402 H408 L410 A428 F454 L457 L458 F461	C402-L406 WeakPolarHBondContact O-CB 3.44Å; C402-L406 PolarHBondContact O-N 2.86Å; L406-H408 VanDerWaalsContact C-N 3.34Å; L406-L410 VanDerWaalsContact O-CB 3.28Å; L406-L410 WeakPolarHBondContact O-CB 3.33Å; L406-L410 PolarHBondContact O-N 3.32Å; L406-A428 HydrophobicContact CB-CB 4.39Å; L406-A428 HydrophobicContact CD2-CB 3.71Å; L406-A428 HydrophobicContact CG-CB 3.72Å; L406-F454 HydrophobicContact CB-CE2 3.99Å; L406-L457 HydrophobicContact CB-CD2 4.23Å; L406-L457 HydrophobicContact CD2-CD2 3.99Å; L406-L457 HydrophobicContact CD2-CG 4.03Å; L406-L458 HydrophobicContact CD1-CD2 3.68Å; L406-F461 HydrophobicContact CD1-CD1 3.88Å; L406-F461 HydrophobicContact CD1-CE1 4.39Å; L406-F461 HydrophobicContact CD1-CG 4.47Å
407	K	96.3	Very high	96.2	Very high	87 Å²	87	39.1 Å²	39.1	38%	0.378	19%	0.185	S	C	.	.	H	α-helix	trans	-65.1	-36	175.8	-80.2	-172.7	47.1	155.2	0	113.1	L403 K404 L405 H411 A428	L403-K407 HydrophobicContact CD1-CD 4.23Å; L403-K407 HydrophobicContact CD1-CG 4.16Å; L403-K407 HydrophobicContact CG-CD 4.27Å; L403-K407 VanDerWaalsContact O-CB 3.32Å; L403-K407 WeakPolarHBondContact O-CB 3.34Å; L403-K407 WeakPolarHBondContact O-CG 3.25Å; L403-K407 PolarHBondContact O-N 3.46Å; K404-K407 PolarHBondContact O-N 3.06Å; L405-K407 VanDerWaalsContact C-N 3.33Å; L405-K407 PolarHBondContact O-N 3.43Å; K407-H411 PolarHBondContact O-N 3.26Å; K407-A428 HydrophobicContact CG-CB 3.93Å
408	H	96	Very high	95.9	Very high	17 Å²	17	43.4 Å²	43.4	8%	0.079	21%	0.213	C	C	.	.	H	α-helix	trans	-77.5	-43	179.9	-178.3	49.4	0	0	0	111.6	T189 L193 K404 L405 L406 L410 H411 L412 F507 Y510	T189-H408 VanDerWaalsContact CG2-CD2 3.5Å; T189-H408 WeakPolarHBondContact CG2-CD2 3.28Å; L193-H408 HydrophobicContact CD1-CB 4.19Å; K404-H408 WeakPolarHBondContact O-CB 3.41Å; K404-H408 PolarHBondContact O-N 2.97Å; L405-H408 PolarHBondContact O-N 3.23Å; L406-H408 VanDerWaalsContact C-N 3.34Å; H408-L410 VanDerWaalsContact C-N 3.32Å; H408-L410 PolarHBondContact O-N 3.2Å; H408-H411 WeakPolarHBondContact O-CA 3.37Å; H408-H411 WeakPolarHBondContact O-CB 3.43Å; H408-H411 PolarHBondContact O-N 3.49Å; H408-L412 PolarHBondContact O-N 2.89Å; H408-F507 HydrophobicContact CB-CE1 4.46Å; H408-F507 AromaticContact CD2-CD1 3.83Å; H408-F507 AromaticContact CD2-CE1 3.43Å; H408-F507 VanDerWaalsContact CD2-CE1 3.43Å; H408-F507 WeakPolarHBondContact CD2-CE1 3.41Å; H408-Y510 AromaticContact CE1-CD1 3.8Å; H408-Y510 AromaticContact CE1-CE1 3.72Å; H408-Y510 AromaticContact CE1-CZ 3.85Å; H408-Y510 AromaticContact NE2-CD1 3.25Å; H408-Y510 VanDerWaalsContact NE2-CD1 3.25Å; H408-Y510 WeakPolarHBondContact NE2-CD1 2.92Å; H408-Y510 AromaticContact NE2-CE1 3.36Å; H408-Y510 WeakPolarHBondContact NE2-CE1 3.08Å; H408-Y510 AromaticContact NE2-CG 3.79Å; H408-Y510 AromaticContact NE2-CZ 3.98Å
409	L	97.3	Very high	95.7	Very high	1 Å²	1	46 Å²	46	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-54.9	-47.9	170.8	179.3	62.4	0	0	0	111.3	L405 H411 L412 L413 F454 L458 Q499 I506 F507	L405-L409 WeakPolarHBondContact O-CB 3.47Å; L405-L409 PolarHBondContact O-N 3.21Å; L409-H411 PolarHBondContact O-N 3.29Å; L409-L412 PolarHBondContact O-N 2.87Å; L409-L413 HydrophobicContact CD1-CD1 3.99Å; L409-L413 HydrophobicContact CD1-CG 4.14Å; L409-L413 HydrophobicContact CG-CD1 3.92Å; L409-L413 HydrophobicContact CG-CG 4.45Å; L409-L413 WeakPolarHBondContact O-CB 3.28Å; L409-L413 VanDerWaalsContact O-CG 3.32Å; L409-L413 WeakPolarHBondContact O-CG 3.42Å; L409-L413 PolarHBondContact O-N 3.1Å; L409-F454 HydrophobicContact CD2-CZ 4.28Å; L409-L458 HydrophobicContact CD2-CD2 3.48Å; L409-L458 VanDerWaalsContact CD2-CD2 3.48Å; L409-Q499 HydrophobicContact CD1-CB 4.14Å; L409-Q499 HydrophobicContact CD1-CG 4.13Å; L409-I506 HydrophobicContact CD1-CG2 3.62Å; L409-F507 HydrophobicContact CB-CE1 4.08Å; L409-F507 HydrophobicContact CB-CZ 3.85Å
410	L	96.6	Very high	95.5	Very high	5 Å²	5	46 Å²	46	3%	0.026	23%	0.231	C	C	.	.	H	α-helix	trans	-68.2	-16.5	177.4	-174.5	59.1	0	0	0	113.6	L406 H408 K414 F423 C424 A428 F461 L492	L406-L410 VanDerWaalsContact O-CB 3.28Å; L406-L410 WeakPolarHBondContact O-CB 3.33Å; L406-L410 PolarHBondContact O-N 3.32Å; H408-L410 VanDerWaalsContact C-N 3.32Å; H408-L410 PolarHBondContact O-N 3.2Å; L410-K414 WeakPolarHBondContact O-CD 3.33Å; L410-K414 WeakPolarHBondContact O-CG 3.32Å; L410-F423 HydrophobicContact CD1-CB 4.01Å; L410-C424 WeakPolarHBondContact CD2-O 3.38Å; L410-A428 HydrophobicContact CD2-CB 4.3Å; L410-F461 HydrophobicContact CD1-CE1 4.41Å; L410-F461 HydrophobicContact CD1-CZ 4.43Å; L410-F461 HydrophobicContact CD2-CZ 4.22Å; L410-L492 HydrophobicContact CD1-CD1 4.13Å; L410-L492 HydrophobicContact CD1-CD2 3.96Å
411	H	94.4	Very high	95.3	Very high	97 Å²	97	45.1 Å²	45.1	45%	0.449	24%	0.239	S	C	.	.	H	α-helix	trans	-81.4	-54.9	170.3	169.8	24.4	0	0	0	110.1	K407 H408 L409 L413 K414 E415	K407-H411 PolarHBondContact O-N 3.26Å; H408-H411 WeakPolarHBondContact O-CA 3.37Å; H408-H411 WeakPolarHBondContact O-CB 3.43Å; H408-H411 PolarHBondContact O-N 3.49Å; L409-H411 PolarHBondContact O-N 3.29Å; H411-L413 VanDerWaalsContact C-N 3.32Å; H411-L413 PolarHBondContact O-N 3.06Å; H411-K414 WeakPolarHBondContact O-CA 3.48Å; H411-K414 WeakPolarHBondContact O-CB 3.47Å; H411-K414 PolarHBondContact O-N 2.86Å; H411-E415 VanDerWaalsContact CE1-CD 3.48Å; H411-E415 IonicContact CE1-OE1 3.58Å; H411-E415 PolarHBondContact CE1-OE1 2.95Å; H411-E415 IonicContact ND1-OE1 2.63Å; H411-E415 PolarHBondContact ND1-OE1 2.82Å; H411-E415 PolarHBondContact O-N 3.12Å; H411-E415 VanDerWaalsContact O-N 3.15Å
412	L	95.1	Very high	95	Very high	18 Å²	18	47.6 Å²	47.6	9%	0.094	25%	0.249	C	C	.	.	H	α-helix	trans	-57.8	-42	-178.9	-62	176.1	0	0	0	112.5	H408 L409 K414 E415 N416 I506 F507 Y510	H408-L412 PolarHBondContact O-N 2.89Å; L409-L412 PolarHBondContact O-N 2.87Å; L412-K414 PolarHBondContact O-N 2.69Å; L412-E415 PolarHBondContact O-N 3.1Å; L412-N416 PolarHBondContact O-N 3Å; L412-N416 VanDerWaalsContact O-N 3.14Å; L412-N416 PolarHBondContact O-OD1 2.77Å; L412-I506 HydrophobicContact CB-CD1 3.57Å; L412-I506 HydrophobicContact CB-CG1 3.87Å; L412-I506 HydrophobicContact CD1-CG1 4.2Å; L412-I506 HydrophobicContact CD1-CG2 4.41Å; L412-F507 HydrophobicContact CD1-CD1 3.77Å; L412-F507 HydrophobicContact CD1-CE1 4.08Å; L412-Y510 HydrophobicContact CD1-CG 4.36Å; L412-Y510 HydrophobicContact CD2-CD2 4.28Å; L412-Y510 HydrophobicContact CD2-CG 4.49Å
413	L	95.8	Very high	94.9	Very high	13 Å²	13	47.7 Å²	47.7	7%	0.068	25%	0.249	C	C	.	.	H	α-helix	trans	-60	-27.9	175.3	-72.9	173.4	0	0	0	113.2	L409 H411 D417 L420 L492 C495 V496 Q499 I506	L409-L413 HydrophobicContact CD1-CD1 3.99Å; L409-L413 HydrophobicContact CD1-CG 4.14Å; L409-L413 HydrophobicContact CG-CD1 3.92Å; L409-L413 HydrophobicContact CG-CG 4.45Å; L409-L413 WeakPolarHBondContact O-CB 3.28Å; L409-L413 VanDerWaalsContact O-CG 3.32Å; L409-L413 WeakPolarHBondContact O-CG 3.42Å; L409-L413 PolarHBondContact O-N 3.1Å; H411-L413 VanDerWaalsContact C-N 3.32Å; H411-L413 PolarHBondContact O-N 3.06Å; L413-D417 PolarHBondContact O-N 3.27Å; L413-L420 HydrophobicContact CB-CD1 4.39Å; L413-L492 HydrophobicContact CD1-CD1 4.13Å; L413-C495 HydrophobicContact CD2-CB 4.15Å; L413-V496 HydrophobicContact CD1-CG2 3.91Å; L413-Q499 HydrophobicContact CD2-CG 4.28Å; L413-I506 HydrophobicContact CD2-CD1 3.91Å; L413-I506 HydrophobicContact CG-CD1 4.22Å
414	K	94.7	Very high	94.6	Very high	52 Å²	52	49.3 Å²	49.3	23%	0.226	26%	0.261	C	S	.	.	H	α-helix	trans	-85.4	-28	178.5	-69.7	174.5	64.1	-179.3	0	114.2	L410 H411 L412 N416 D417 L420 A421 F423	L410-K414 WeakPolarHBondContact O-CD 3.33Å; L410-K414 WeakPolarHBondContact O-CG 3.32Å; H411-K414 WeakPolarHBondContact O-CA 3.48Å; H411-K414 WeakPolarHBondContact O-CB 3.47Å; H411-K414 PolarHBondContact O-N 2.86Å; L412-K414 PolarHBondContact O-N 2.69Å; K414-N416 VanDerWaalsContact C-N 3.3Å; K414-D417 CarbonylContact O-C 3.57Å; K414-L420 WeakPolarHBondContact CE-O 3.44Å; K414-L420 HydrophobicContact CG-CB 3.88Å; K414-A421 VanDerWaalsContact CE-CA 3.46Å; K414-A421 VanDerWaalsContact CE-O 3.29Å; K414-A421 WeakPolarHBondContact CE-O 3.42Å; K414-A421 PolarHBondContact NZ-O 2.97Å; K414-F423 WeakPolarHBondContact CD-O 3.24Å; K414-F423 VanDerWaalsContact CE-O 3.29Å; K414-F423 WeakPolarHBondContact CE-O 3.37Å; K414-F423 PolarHBondContact NZ-O 3.41Å
415	E	92.1	Very high	94.4	Very high	120 Å²	120	48.8 Å²	48.8	56%	0.561	27%	0.266	S	S	*	.	H	α-helix	trans	-67.6	-39.4	170.9	-50.5	-46.3	123.7	0	0	109.3	H411 L412	H411-E415 VanDerWaalsContact CE1-CD 3.48Å; H411-E415 IonicContact CE1-OE1 3.58Å; H411-E415 PolarHBondContact CE1-OE1 2.95Å; H411-E415 IonicContact ND1-OE1 2.63Å; H411-E415 PolarHBondContact ND1-OE1 2.82Å; H411-E415 PolarHBondContact O-N 3.12Å; H411-E415 VanDerWaalsContact O-N 3.15Å; L412-E415 PolarHBondContact O-N 3.1Å
416	N	92.5	Very high	94.3	Very high	121 Å²	121	51.2 Å²	51.2	65%	0.647	28%	0.275	S	S	*	.	H	α-helix	trans	-73.2	-33.7	176.6	-68	14	0	0	0	113.5	L412 K414	L412-N416 PolarHBondContact O-N 3Å; L412-N416 VanDerWaalsContact O-N 3.14Å; L412-N416 PolarHBondContact O-OD1 2.77Å; K414-N416 VanDerWaalsContact C-N 3.3Å
417	D	94.4	Very high	94.3	Very high	40 Å²	40	51.8 Å²	51.8	21%	0.214	28%	0.278	C	S	.	.			trans	-131.4	97	176.5	179.1	-0.1	0	0	0	112	L413 K414 S419 L420 H491	L413-D417 PolarHBondContact O-N 3.27Å; K414-D417 CarbonylContact O-C 3.57Å; D417-S419 VanDerWaalsContact CG-OG 3.22Å; D417-S419 PolarHBondContact O-N 2.78Å; D417-S419 VanDerWaalsContact O-N 3.11Å; D417-S419 WeakPolarHBondContact OD1-CA 3.4Å; D417-S419 WeakPolarHBondContact OD1-CB 3.32Å; D417-S419 PolarHBondContact OD1-N 2.8Å; D417-S419 PolarHBondContact OD1-OG 2.74Å; D417-S419 PolarHBondContact OD2-OG 3.39Å; D417-L420 HydrophobicContact CB-CD1 3.91Å; D417-L420 HydrophobicContact CB-CG 4.1Å; D417-L420 VanDerWaalsContact O-CB 3.3Å; D417-L420 WeakPolarHBondContact O-CB 3.32Å; D417-L420 PolarHBondContact O-N 3.35Å; D417-H491 IonicContact OD2-CD2 2.62Å; D417-H491 PolarHBondContact OD2-CD2 2.72Å; D417-H491 IonicContact OD2-CE1 3.92Å; D417-H491 IonicContact OD2-NE2 2.74Å; D417-H491 PolarHBondContact OD2-NE2 3.49Å
418	P	92.5	Very high	94.4	Very high	96 Å²	96	47.6 Å²	47.6	62%	0.623	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-59.9	-16.6	175.7	-27.6	36.7	0	0	0	115.4	L420 A421	P418-L420 PolarHBondContact O-N 2.76Å; P418-A421 WeakPolarHBondContact O-CB 3.49Å; P418-A421 PolarHBondContact O-N 3.17Å
419	S	92.8	Very high	94.5	Very high	55 Å²	55	49 Å²	49	39%	0.385	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-63.1	-24.1	173.2	86.7	0	0	0	0	112	D417 A421	D417-S419 VanDerWaalsContact CG-OG 3.22Å; D417-S419 PolarHBondContact O-N 2.78Å; D417-S419 VanDerWaalsContact O-N 3.11Å; D417-S419 WeakPolarHBondContact OD1-CA 3.4Å; D417-S419 WeakPolarHBondContact OD1-CB 3.32Å; D417-S419 PolarHBondContact OD1-N 2.8Å; D417-S419 PolarHBondContact OD1-OG 2.74Å; D417-S419 PolarHBondContact OD2-OG 3.39Å; S419-A421 VanDerWaalsContact C-N 3.29Å; S419-A421 PolarHBondContact O-N 3.37Å
420	L	94.6	Very high	94.5	Very high	1 Å²	1	49 Å²	49	1%	0.005	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-82.5	0.8	176	-54.6	176.8	0	0	0	113.1	L413 K414 D417 P418 K422 F423 L492	L413-L420 HydrophobicContact CB-CD1 4.39Å; K414-L420 WeakPolarHBondContact CE-O 3.44Å; K414-L420 HydrophobicContact CG-CB 3.88Å; D417-L420 HydrophobicContact CB-CD1 3.91Å; D417-L420 HydrophobicContact CB-CG 4.1Å; D417-L420 VanDerWaalsContact O-CB 3.3Å; D417-L420 WeakPolarHBondContact O-CB 3.32Å; D417-L420 PolarHBondContact O-N 3.35Å; P418-L420 PolarHBondContact O-N 2.76Å; L420-K422 PolarHBondContact O-N 3.36Å; L420-F423 HydrophobicContact CB-CD2 4.07Å; L420-F423 HydrophobicContact CD2-CD2 3.95Å; L420-F423 HydrophobicContact CD2-CE2 3.73Å; L420-F423 WeakPolarHBondContact O-CD2 3.47Å; L420-F423 PolarHBondContact O-N 2.72Å; L420-L492 HydrophobicContact CD1-CD1 4.04Å; L420-L492 HydrophobicContact CD2-CB 3.99Å; L420-L492 HydrophobicContact CD2-CD1 4.45Å
421	A	90.8	Very high	94.6	Very high	61 Å²	61	48.8 Å²	48.8	50%	0.504	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.1	-35.2	-177.6	0	0	0	0	0	114.5	K414 P418 S419	K414-A421 VanDerWaalsContact CE-CA 3.46Å; K414-A421 VanDerWaalsContact CE-O 3.29Å; K414-A421 WeakPolarHBondContact CE-O 3.42Å; K414-A421 PolarHBondContact NZ-O 2.97Å; P418-A421 WeakPolarHBondContact O-CB 3.49Å; P418-A421 PolarHBondContact O-N 3.17Å; S419-A421 VanDerWaalsContact C-N 3.29Å; S419-A421 PolarHBondContact O-N 3.37Å
422	K	91.7	Very high	94.8	Very high	129 Å²	129	44.3 Å²	44.3	56%	0.561	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-21.6	179.5	-65.8	-164	175.6	-164.7	0	114.8	L420 L484	L420-K422 PolarHBondContact O-N 3.36Å; K422-L484 HydrophobicContact CB-CD2 3.68Å; K422-L484 HydrophobicContact CD-CD2 4.12Å
423	F	94.7	Very high	95	Very high	1 Å²	1	43.4 Å²	43.4	0%	0.004	24%	0.239	C	C	.	.			trans	-72.6	142.9	172.7	-62	-86.1	0	0	0	109.8	L410 K414 L420 H427 L465 L481 L484 R488 L492	L410-F423 HydrophobicContact CD1-CB 4.01Å; K414-F423 WeakPolarHBondContact CD-O 3.24Å; K414-F423 VanDerWaalsContact CE-O 3.29Å; K414-F423 WeakPolarHBondContact CE-O 3.37Å; K414-F423 PolarHBondContact NZ-O 3.41Å; L420-F423 HydrophobicContact CB-CD2 4.07Å; L420-F423 HydrophobicContact CD2-CD2 3.95Å; L420-F423 HydrophobicContact CD2-CE2 3.73Å; L420-F423 WeakPolarHBondContact O-CD2 3.47Å; L420-F423 PolarHBondContact O-N 2.72Å; F423-H427 AromaticContact CD1-ND1 3.75Å; F423-L465 HydrophobicContact CD1-CD2 4.3Å; F423-L465 HydrophobicContact CE1-CD2 3.63Å; F423-L465 HydrophobicContact CZ-CD2 4.37Å; F423-L481 HydrophobicContact CE1-CD2 4.11Å; F423-L484 HydrophobicContact CD1-CD1 3.6Å; F423-L484 HydrophobicContact CE1-CB 4.49Å; F423-L484 HydrophobicContact CE1-CD1 3.43Å; F423-L484 VanDerWaalsContact CE1-CD1 3.43Å; F423-L484 HydrophobicContact CG-CD1 4.37Å; F423-L484 HydrophobicContact CZ-CB 4.42Å; F423-L484 HydrophobicContact CZ-CD1 4.08Å; F423-R488 HydrophobicContact CE2-CB 4.33Å; F423-R488 HydrophobicContact CZ-CB 4.42Å; F423-L492 HydrophobicContact CB-CD2 4.21Å; F423-L492 HydrophobicContact CD1-CD2 3.47Å; F423-L492 VanDerWaalsContact CD1-CD2 3.47Å; F423-L492 HydrophobicContact CD2-CD2 3.79Å; F423-L492 HydrophobicContact CE1-CD2 3.66Å; F423-L492 HydrophobicContact CE2-CB 4.29Å; F423-L492 HydrophobicContact CE2-CD2 3.96Å; F423-L492 HydrophobicContact CG-CD2 3.56Å; F423-L492 HydrophobicContact CZ-CB 4.27Å; F423-L492 HydrophobicContact CZ-CD2 3.9Å
424	C	91.7	Very high	95.1	Very high	52 Å²	52	45 Å²	45	35%	0.351	25%	0.246	S	C	.	.			trans	-141.6	165.4	-175.4	74.3	0	0	0	0	112.5	L410 Y426 H427	L410-C424 WeakPolarHBondContact CD2-O 3.38Å; C424-Y426 PolarHBondContact O-N 2.8Å; C424-Y426 VanDerWaalsContact SG-CB 3.55Å; C424-H427 PolarHBondContact N-ND1 3.33Å; C424-H427 WeakPolarHBondContact O-CB 3.29Å; C424-H427 PolarHBondContact O-N 3.14Å
425	S	92.9	Very high	95.3	Very high	57 Å²	57	42.7 Å²	42.7	40%	0.399	24%	0.237	S	C	.	.	H	α-helix	trans	-62.2	-8.4	-179.2	71	0	0	0	0	115	K429	S425-K429 PolarHBondContact O-N 2.95Å; S425-K429 VanDerWaalsContact O-N 3.12Å
426	Y	95.9	Very high	95.6	Very high	51 Å²	51	37 Å²	37	20%	0.2	21%	0.21	C	C	.	.	H	α-helix	trans	-70.1	-35.4	169.5	-159.5	-110.6	0	0	0	112.6	E376 C424 K429 T430 L480	E376-Y426 VanDerWaalsContact OE1-CE2 3.23Å; E376-Y426 WeakPolarHBondContact OE1-CE2 3.34Å; E376-Y426 PolarHBondContact OE1-OH 2.84Å; E376-Y426 WeakPolarHBondContact OE2-CE2 3.46Å; C424-Y426 PolarHBondContact O-N 2.8Å; C424-Y426 VanDerWaalsContact SG-CB 3.55Å; Y426-K429 PolarHBondContact O-N 3.1Å; Y426-T430 WeakPolarHBondContact O-CB 3.48Å; Y426-T430 PolarHBondContact O-N 3.13Å; Y426-T430 PolarHBondContact O-OG1 3.38Å; Y426-L480 HydrophobicContact CD1-CD1 3.92Å; Y426-L480 HydrophobicContact CE1-CD1 4.01Å; Y426-L480 HydrophobicContact CE1-CD2 4.45Å
427	H	97.9	Very high	95.8	Very high	13 Å²	13	32.7 Å²	32.7	6%	0.06	19%	0.19	C	C	.	.	H	α-helix	trans	-63.9	-49.8	175.9	-53.2	153.8	0	0	0	109.8	F423 C424 K429 T430 T431 F461 L470	F423-H427 AromaticContact CD1-ND1 3.75Å; C424-H427 PolarHBondContact N-ND1 3.33Å; C424-H427 WeakPolarHBondContact O-CB 3.29Å; C424-H427 PolarHBondContact O-N 3.14Å; H427-K429 VanDerWaalsContact C-N 3.3Å; H427-K429 PolarHBondContact O-N 3.44Å; H427-T430 PolarHBondContact O-N 3.33Å; H427-T430 VanDerWaalsContact O-N 3.1Å; H427-T431 PolarHBondContact O-N 2.9Å; H427-T431 PolarHBondContact O-OG1 2.81Å; H427-T431 VanDerWaalsContact O-OG1 3.1Å; H427-F461 HydrophobicContact CB-CE2 4.11Å; H427-L470 HydrophobicContact CB-CD2 3.86Å
428	A	97.8	Very high	96	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-55.2	-40.9	173.9	0	0	0	0	0	113.3	L406 K407 L410 L432	L406-A428 HydrophobicContact CB-CB 4.39Å; L406-A428 HydrophobicContact CD2-CB 3.71Å; L406-A428 HydrophobicContact CG-CB 3.72Å; K407-A428 HydrophobicContact CG-CB 3.93Å; L410-A428 HydrophobicContact CD2-CB 4.3Å; A428-L432 PolarHBondContact O-N 2.98Å
429	K	97.9	Very high	96.2	Very high	47 Å²	47	32.9 Å²	32.9	20%	0.204	19%	0.19	C	C	.	.	H	α-helix	trans	-65.9	-46	174.6	-166.6	-165.8	-63.7	-171.7	0	111.9	E376 L403 S425 Y426 H427 T431 L432 L433	E376-K429 HydrophobicContact CB-CD 4.2Å; E376-K429 HydrophobicContact CG-CD 4.34Å; E376-K429 WeakPolarHBondContact OE2-CD 3.48Å; E376-K429 WeakPolarHBondContact OE2-CE 3.31Å; E376-K429 IonicContact OE2-NZ 2.83Å; E376-K429 PolarHBondContact OE2-NZ 3.16Å; L403-K429 HydrophobicContact CD1-CB 4.37Å; S425-K429 PolarHBondContact O-N 2.95Å; S425-K429 VanDerWaalsContact O-N 3.12Å; Y426-K429 PolarHBondContact O-N 3.1Å; H427-K429 VanDerWaalsContact C-N 3.3Å; H427-K429 PolarHBondContact O-N 3.44Å; K429-T431 PolarHBondContact O-N 3.49Å; K429-L432 PolarHBondContact O-N 3.08Å; K429-L433 HydrophobicContact CD-CD1 4.36Å; K429-L433 HydrophobicContact CG-CD1 4.17Å; K429-L433 WeakPolarHBondContact O-CG 3.26Å; K429-L433 PolarHBondContact O-N 2.69Å
430	T	98.3	Very high	96.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-64	-41.1	-178.5	-55.1	0	0	0	0	111.3	Y426 H427 L433 H434 L470 Y471 F473 L480	Y426-T430 WeakPolarHBondContact O-CB 3.48Å; Y426-T430 PolarHBondContact O-N 3.13Å; Y426-T430 PolarHBondContact O-OG1 3.38Å; H427-T430 PolarHBondContact O-N 3.33Å; H427-T430 VanDerWaalsContact O-N 3.1Å; T430-L433 PolarHBondContact O-N 3.13Å; T430-H434 PolarHBondContact O-CD2 3.06Å; T430-H434 PolarHBondContact O-N 3.47Å; T430-L470 HydrophobicContact CG2-CD1 3.98Å; T430-L470 HydrophobicContact CG2-CD2 4.47Å; T430-L470 HydrophobicContact CG2-CG 4.01Å; T430-Y471 VanDerWaalsContact CG2-O 3.3Å; T430-Y471 WeakPolarHBondContact CG2-O 3.48Å; T430-F473 HydrophobicContact CG2-CB 4.5Å; T430-L480 HydrophobicContact CG2-CD1 3.94Å
431	T	98.8	Very high	96.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59.4	-46.4	172.6	-53.8	0	0	0	0	111.7	H427 K429 L433 H434 A435 L457 D460 F461	H427-T431 PolarHBondContact O-N 2.9Å; H427-T431 PolarHBondContact O-OG1 2.81Å; H427-T431 VanDerWaalsContact O-OG1 3.1Å; K429-T431 PolarHBondContact O-N 3.49Å; T431-L433 VanDerWaalsContact C-N 3.34Å; T431-L433 PolarHBondContact O-N 2.95Å; T431-H434 PolarHBondContact O-N 3.09Å; T431-A435 VanDerWaalsContact O-CB 3.25Å; T431-A435 WeakPolarHBondContact O-CB 3.46Å; T431-A435 PolarHBondContact O-N 3.07Å; T431-L457 HydrophobicContact CG2-CD1 3.98Å; T431-D460 HydrophobicContact CG2-CB 3.85Å; T431-F461 HydrophobicContact CG2-CB 4.02Å; T431-F461 WeakPolarHBondContact OG1-CD2 3.2Å
432	L	98.7	Very high	96.9	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.016	19%	0.187	C	C	.	.	H	α-helix	trans	-60.3	-43.5	176.3	-172.1	96.4	0	0	0	111.6	I380 L403 A428 K429 H434 A435 C436 W445 L457	I380-L432 HydrophobicContact CD1-CD2 3.68Å; L403-L432 HydrophobicContact CB-CD1 4.18Å; L403-L432 HydrophobicContact CB-CD2 3.98Å; L403-L432 HydrophobicContact CD1-CB 4.2Å; L403-L432 HydrophobicContact CD1-CD2 4.43Å; L403-L432 HydrophobicContact CD2-CD2 4.11Å; L403-L432 HydrophobicContact CG-CD2 4.38Å; A428-L432 PolarHBondContact O-N 2.98Å; K429-L432 PolarHBondContact O-N 3.08Å; L432-H434 PolarHBondContact O-N 2.87Å; L432-A435 PolarHBondContact O-N 3.05Å; L432-C436 WeakPolarHBondContact O-CB 3.26Å; L432-C436 PolarHBondContact O-N 3.45Å; L432-C436 PolarHBondContact O-SG 3.42Å; L432-W445 HydrophobicContact CD1-CH2 4.2Å; L432-W445 HydrophobicContact CD1-CZ3 4.28Å; L432-L457 HydrophobicContact CB-CD1 4.27Å; L432-L457 HydrophobicContact CD1-CD1 4.1Å; L432-L457 HydrophobicContact CD1-CD2 3.65Å
433	L	98.6	Very high	97.1	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61.8	-42.2	-179.2	-70.3	169.1	0	0	0	112	W331 I379 I380 K429 T430 T431 C437 F473	W331-L433 HydrophobicContact CH2-CD2 4.33Å; W331-L433 HydrophobicContact CZ3-CD2 4.31Å; I379-L433 HydrophobicContact CB-CD2 4.49Å; I379-L433 HydrophobicContact CG2-CD2 3.56Å; I380-L433 HydrophobicContact CD1-CD2 4.45Å; K429-L433 HydrophobicContact CD-CD1 4.36Å; K429-L433 HydrophobicContact CG-CD1 4.17Å; K429-L433 WeakPolarHBondContact O-CG 3.26Å; K429-L433 PolarHBondContact O-N 2.69Å; T430-L433 PolarHBondContact O-N 3.13Å; T431-L433 VanDerWaalsContact C-N 3.34Å; T431-L433 PolarHBondContact O-N 2.95Å; L433-C437 PolarHBondContact O-N 3.37Å; L433-C437 PolarHBondContact O-SG 2.76Å; L433-F473 HydrophobicContact CB-CB 4.49Å; L433-F473 HydrophobicContact CB-CD1 4.14Å; L433-F473 HydrophobicContact CB-CD2 3.61Å; L433-F473 HydrophobicContact CB-CE1 4.2Å; L433-F473 HydrophobicContact CB-CE2 3.72Å; L433-F473 HydrophobicContact CB-CG 3.83Å; L433-F473 HydrophobicContact CB-CZ 4.01Å; L433-F473 HydrophobicContact CD1-CB 4.17Å; L433-F473 HydrophobicContact CD1-CD1 3.93Å; L433-F473 HydrophobicContact CD1-CE1 4.48Å; L433-F473 HydrophobicContact CD1-CG 4.01Å; L433-F473 HydrophobicContact CD2-CE1 4.3Å; L433-F473 HydrophobicContact CG-CD1 4.44Å; L433-F473 HydrophobicContact CG-CG 4.49Å; L433-F473 WeakPolarHBondContact O-CE2 3.43Å
434	H	98.5	Very high	97.3	Very high	46 Å²	46	35.3 Å²	35.3	21%	0.213	19%	0.192	C	C	.	.	H	α-helix	trans	-66.9	-44.3	171.9	-68.8	-55.8	0	0	0	112.1	T430 T431 L432 C436 C437 S438 Y471 F473	T430-H434 PolarHBondContact O-CD2 3.06Å; T430-H434 PolarHBondContact O-N 3.47Å; T431-H434 PolarHBondContact O-N 3.09Å; L432-H434 PolarHBondContact O-N 2.87Å; H434-C436 VanDerWaalsContact C-N 3.26Å; H434-C436 PolarHBondContact O-N 2.94Å; H434-C437 WeakPolarHBondContact O-CA 3.34Å; H434-C437 WeakPolarHBondContact O-CB 3.45Å; H434-C437 PolarHBondContact O-N 3.4Å; H434-S438 PolarHBondContact O-N 2.89Å; H434-S438 PolarHBondContact O-OG 3.36Å; H434-Y471 PolarHBondContact NE2-O 3.4Å; H434-F473 AromaticContact CE1-CD2 3.79Å; H434-F473 AromaticContact ND1-CD2 3.75Å
435	A	98.4	Very high	97.6	Very high	3 Å²	3	32.8 Å²	32.8	3%	0.025	18%	0.176	C	C	.	.	H	α-helix	trans	-59.9	-34.7	178	0	0	0	0	0	112.8	T431 L432 S438 R439 W445 L457 D460	T431-A435 VanDerWaalsContact O-CB 3.25Å; T431-A435 WeakPolarHBondContact O-CB 3.46Å; T431-A435 PolarHBondContact O-N 3.07Å; L432-A435 PolarHBondContact O-N 3.05Å; A435-S438 PolarHBondContact O-N 3.43Å; A435-R439 WeakPolarHBondContact O-CB 3.24Å; A435-R439 PolarHBondContact O-N 3.1Å; A435-W445 HydrophobicContact CB-CH2 4.05Å; A435-W445 HydrophobicContact CB-CZ2 4.02Å; A435-L457 HydrophobicContact CB-CD1 3.89Å; A435-D460 WeakPolarHBondContact CB-OD2 3.4Å
436	C	98.4	Very high	97.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-72.7	-26.2	173.9	-63.2	0	0	0	0	113	W331 L432 H434 R439 T440	W331-C436 HydrophobicContact CD2-CB 3.83Å; W331-C436 HydrophobicContact CE3-CB 3.72Å; W331-C436 HydrophobicContact CH2-CB 3.46Å; W331-C436 VanDerWaalsContact CH2-CB 3.46Å; W331-C436 HydrophobicContact CZ2-CB 3.54Å; W331-C436 HydrophobicContact CZ3-CB 3.55Å; L432-C436 WeakPolarHBondContact O-CB 3.26Å; L432-C436 PolarHBondContact O-N 3.45Å; L432-C436 PolarHBondContact O-SG 3.42Å; H434-C436 VanDerWaalsContact C-N 3.26Å; H434-C436 PolarHBondContact O-N 2.94Å; C436-R439 CarbonylContact O-C 3.58Å; C436-T440 WeakPolarHBondContact O-CA 3.37Å
437	C	97.4	Very high	97.7	Very high	32 Å²	32	30 Å²	30	22%	0.216	17%	0.168	C	C	.	.	H	α-helix	trans	-75.5	-27.5	171.2	-62.2	0	0	0	0	112.2	K327 L433 H434 T440 F473	K327-C437 PolarHBondContact O-SG 2.84Å; K327-C437 VanDerWaalsContact O-SG 3.39Å; L433-C437 PolarHBondContact O-N 3.37Å; L433-C437 PolarHBondContact O-SG 2.76Å; H434-C437 WeakPolarHBondContact O-CA 3.34Å; H434-C437 WeakPolarHBondContact O-CB 3.45Å; H434-C437 PolarHBondContact O-N 3.4Å; C437-T440 VanDerWaalsContact O-CG2 3.26Å; C437-T440 WeakPolarHBondContact O-CG2 3.4Å; C437-F473 VanDerWaalsContact SG-CE2 3.58Å
438	S	96.9	Very high	97.6	Very high	99 Å²	99	34.2 Å²	34.2	69%	0.692	20%	0.199	S	C	*	.	H	α-helix	trans	-84.9	-30.9	174.5	-56.8	0	0	0	0	113.7	H434 A435	H434-S438 PolarHBondContact O-N 2.89Å; H434-S438 PolarHBondContact O-OG 3.36Å; A435-S438 PolarHBondContact O-N 3.43Å
439	R	97.7	Very high	97.5	Very high	40 Å²	40	36.8 Å²	36.8	15%	0.151	21%	0.212	C	C	.	.	S	Bend	trans	-123.8	80.4	-179.8	-61.6	-170.6	-64.9	-89.6	5.3	107.9	A435 C436 D444 W445 D460	A435-R439 WeakPolarHBondContact O-CB 3.24Å; A435-R439 PolarHBondContact O-N 3.1Å; C436-R439 CarbonylContact O-C 3.58Å; R439-D444 HydrophobicContact CB-CB 4.08Å; R439-W445 HydrophobicContact CB-CZ2 4.31Å; R439-W445 PolarHBondContact O-NE1 2.93Å; R439-D460 IonicContact CZ-OD2 2.68Å; R439-D460 VanDerWaalsContact CZ-OD2 3.22Å; R439-D460 IonicContact NH1-OD1 2.87Å; R439-D460 PolarHBondContact NH1-OD1 3.39Å; R439-D460 VanDerWaalsContact NH1-OD1 3.08Å; R439-D460 IonicContact NH1-OD2 3.76Å; R439-D460 PolarHBondContact NH1-OD2 3.34Å; R439-D460 IonicContact NH2-OD2 3.78Å; R439-D460 PolarHBondContact NH2-OD2 3.26Å
440	T	97.4	Very high	97.4	Very high	34 Å²	34	34.6 Å²	34.6	21%	0.209	20%	0.203	C	C	.	.			trans	-80.4	-33.3	-163.4	60.9	0	0	0	0	113.2	Q330 W331 R399 C436 C437	Q330-T440 HydrophobicContact CB-CG2 4.46Å; Q330-T440 WeakPolarHBondContact O-CB 3.44Å; Q330-T440 WeakPolarHBondContact O-CG2 3.32Å; W331-T440 HydrophobicContact CB-CG2 3.98Å; R399-T440 PolarHBondContact NH2-O 3.43Å; C436-T440 WeakPolarHBondContact O-CA 3.37Å; C437-T440 VanDerWaalsContact O-CG2 3.26Å; C437-T440 WeakPolarHBondContact O-CG2 3.4Å
441	R	97.8	Very high	97.3	Very high	147 Å²	147	36.7 Å²	36.7	56%	0.555	22%	0.218	S	C	*	.	S	Bend	trans	-77.4	148.8	-170.6	-48.5	176.4	-63.8	175.8	3.8	111.6	S385 R399 S443 D444	S385-R441 WeakPolarHBondContact OG-CA 3.39Å; R399-R441 PolarHBondContact NH2-O 3.47Å; R441-S443 VanDerWaalsContact C-N 3.26Å; R441-S443 WeakPolarHBondContact CB-OG 3.48Å; R441-S443 PolarHBondContact O-N 3.34Å; R441-D444 VanDerWaalsContact CB-OD2 3.3Å; R441-D444 WeakPolarHBondContact CB-OD2 3.4Å; R441-D444 IonicContact CZ-OD1 3.34Å; R441-D444 VanDerWaalsContact CZ-OD1 3.26Å; R441-D444 PolarHBondContact N-OD2 2.93Å; R441-D444 VanDerWaalsContact N-OD2 3.13Å; R441-D444 IonicContact NE-OD1 3.14Å; R441-D444 PolarHBondContact NE-OD1 2.88Å; R441-D444 IonicContact NE-OD2 3.73Å; R441-D444 PolarHBondContact NE-OD2 3.28Å; R441-D444 IonicContact NH2-OD1 2.77Å; R441-D444 PolarHBondContact NH2-OD1 3.11Å; R441-D444 WeakPolarHBondContact O-CB 3.28Å; R441-D444 PolarHBondContact O-N 3.35Å; R441-D444 VanDerWaalsContact O-N 3.08Å
442	D	97.4	Very high	97.2	Very high	12 Å²	12	41.7 Å²	41.7	6%	0.064	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-67.1	-29.7	178.2	-59.2	-44.3	0	0	0	112.6	G384 S385 E386 R399 D444 W445 G446	G384-D442 WeakPolarHBondContact CA-OD1 3.17Å; S385-D442 PolarHBondContact N-OD1 3.49Å; S385-D442 PolarHBondContact N-OD2 3.04Å; S385-D442 PolarHBondContact OG-N 2.92Å; S385-D442 VanDerWaalsContact OG-N 3.1Å; S385-D442 PolarHBondContact OG-OD1 3.05Å; S385-D442 PolarHBondContact OG-OD2 3.46Å; E386-D442 WeakPolarHBondContact CB-OD2 3.35Å; E386-D442 PolarHBondContact N-OD2 3.3Å; R399-D442 IonicContact CZ-OD1 3.12Å; R399-D442 IonicContact NH1-OD1 2.79Å; R399-D442 PolarHBondContact NH1-OD1 3.24Å; R399-D442 IonicContact NH2-OD1 3.17Å; R399-D442 PolarHBondContact NH2-OD1 3.33Å; D442-D444 VanDerWaalsContact C-N 3.28Å; D442-D444 PolarHBondContact O-N 3.21Å; D442-W445 CarbonylContact O-C 3.58Å; D442-W445 PolarHBondContact O-N 2.78Å; D442-G446 PolarHBondContact O-N 3.12Å
443	S	96.6	Very high	97.2	Very high	76 Å²	76	41.6 Å²	41.6	53%	0.531	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-60.1	-33.4	169.9	59.7	0	0	0	0	113.5	R441 W445 G446	R441-S443 VanDerWaalsContact C-N 3.26Å; R441-S443 WeakPolarHBondContact CB-OG 3.48Å; R441-S443 PolarHBondContact O-N 3.34Å; S443-W445 PolarHBondContact O-N 2.83Å; S443-G446 PolarHBondContact O-N 3.33Å
444	D	97.7	Very high	97.2	Very high	29 Å²	29	41.6 Å²	41.6	16%	0.155	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-66.6	-21.6	-178.8	-56.5	-31.2	0	0	0	111.2	R439 R441 D442 R452 C453	R439-D444 HydrophobicContact CB-CB 4.08Å; R441-D444 VanDerWaalsContact CB-OD2 3.3Å; R441-D444 WeakPolarHBondContact CB-OD2 3.4Å; R441-D444 IonicContact CZ-OD1 3.34Å; R441-D444 VanDerWaalsContact CZ-OD1 3.26Å; R441-D444 PolarHBondContact N-OD2 2.93Å; R441-D444 VanDerWaalsContact N-OD2 3.13Å; R441-D444 IonicContact NE-OD1 3.14Å; R441-D444 PolarHBondContact NE-OD1 2.88Å; R441-D444 IonicContact NE-OD2 3.73Å; R441-D444 PolarHBondContact NE-OD2 3.28Å; R441-D444 IonicContact NH2-OD1 2.77Å; R441-D444 PolarHBondContact NH2-OD1 3.11Å; R441-D444 WeakPolarHBondContact O-CB 3.28Å; R441-D444 PolarHBondContact O-N 3.35Å; R441-D444 VanDerWaalsContact O-N 3.08Å; D442-D444 VanDerWaalsContact C-N 3.28Å; D442-D444 PolarHBondContact O-N 3.21Å; D444-R452 PolarHBondContact O-NH1 3.36Å; D444-R452 PolarHBondContact O-NH2 3.24Å; D444-C453 PolarHBondContact O-SG 3.06Å; D444-C453 VanDerWaalsContact O-SG 3.37Å
445	W	98.3	Very high	97.2	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-120.9	33.1	-178.7	-59.1	89.2	0	0	0	112.9	C397 C398 R399 C402 L432 A435 R439 D442 S443 C453 L457	C397-W445 CarbonylContact C-O 3.49Å; C397-W445 WeakPolarHBondContact CA-O 3.49Å; C397-W445 HydrophobicContact CB-CB 4.32Å; C397-W445 VanDerWaalsContact CB-O 3.23Å; C397-W445 WeakPolarHBondContact CB-O 3.37Å; C398-W445 PolarHBondContact N-O 3.14Å; C398-W445 VanDerWaalsContact SG-C 3.56Å; C398-W445 PolarHBondContact SG-O 3.39Å; R399-W445 HydrophobicContact CG-CB 3.73Å; R399-W445 HydrophobicContact CG-CD2 3.52Å; R399-W445 HydrophobicContact CG-CE3 3.87Å; R399-W445 HydrophobicContact CG-CG 3.46Å; R399-W445 VanDerWaalsContact CG-CG 3.46Å; R399-W445 VanDerWaalsContact NE-CD1 3.28Å; C402-W445 HydrophobicContact CB-CZ3 4.26Å; L432-W445 HydrophobicContact CD1-CH2 4.2Å; L432-W445 HydrophobicContact CD1-CZ3 4.28Å; A435-W445 HydrophobicContact CB-CH2 4.05Å; A435-W445 HydrophobicContact CB-CZ2 4.02Å; R439-W445 HydrophobicContact CB-CZ2 4.31Å; R439-W445 PolarHBondContact O-NE1 2.93Å; D442-W445 CarbonylContact O-C 3.58Å; D442-W445 PolarHBondContact O-N 2.78Å; S443-W445 PolarHBondContact O-N 2.83Å; W445-C453 HydrophobicContact CE3-CB 3.94Å; W445-C453 HydrophobicContact CZ3-CB 4.35Å; W445-L457 HydrophobicContact CH2-CD1 4.39Å
446	G	97.1	Very high	97.2	Very high	14 Å²	14	42.3 Å²	42.3	14%	0.144	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-50.1	144.6	179.6	0	0	0	0	0	113.5	C398 D442 S443 S448 D449	C398-G446 PolarHBondContact SG-O 2.88Å; C398-G446 VanDerWaalsContact SG-O 3.41Å; D442-G446 PolarHBondContact O-N 3.12Å; S443-G446 PolarHBondContact O-N 3.33Å; G446-S448 VanDerWaalsContact C-N 3.26Å; G446-S448 PolarHBondContact O-N 3.4Å; G446-D449 PolarHBondContact O-N 3Å
447	A	94.7	Very high	97.2	Very high	35 Å²	35	42.3 Å²	42.3	29%	0.289	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-65.8	-26.1	-177.5	0	0	0	0	0	114.2	S396 D449	S396-A447 WeakPolarHBondContact O-CB 3.48Å; S396-A447 PolarHBondContact O-N 3.34Å; S396-A447 VanDerWaalsContact OG-CB 3.28Å; S396-A447 WeakPolarHBondContact OG-CB 3.36Å; A447-D449 PolarHBondContact O-N 3.44Å
448	S	94.6	Very high	97.3	Very high	102 Å²	102	40.8 Å²	40.8	71%	0.713	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-63.5	-27.7	170	44.3	0	0	0	0	113.4	G446 L450	G446-S448 VanDerWaalsContact C-N 3.26Å; G446-S448 PolarHBondContact O-N 3.4Å; S448-L450 VanDerWaalsContact C-N 3.32Å; S448-L450 PolarHBondContact O-N 3.44Å
449	D	95.8	Very high	97.4	Very high	53 Å²	53	40.4 Å²	40.4	28%	0.283	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-98	27.9	-164.3	-69.7	37.4	0	0	0	111.7	G446 A447 S451 R452 C453	G446-D449 PolarHBondContact O-N 3Å; A447-D449 PolarHBondContact O-N 3.44Å; D449-S451 PolarHBondContact O-N 2.83Å; D449-R452 HydrophobicContact CB-CB 4.36Å; D449-R452 PolarHBondContact O-N 2.91Å; D449-R452 VanDerWaalsContact O-N 3.14Å; D449-R452 IonicContact OD2-CZ 3.39Å; D449-R452 IonicContact OD2-NE 2.71Å; D449-R452 PolarHBondContact OD2-NE 3.42Å; D449-R452 IonicContact OD2-NH2 2.82Å; D449-R452 PolarHBondContact OD2-NH2 3.12Å; D449-C453 WeakPolarHBondContact O-CB 3.16Å; D449-C453 PolarHBondContact O-N 3.14Å; D449-C453 PolarHBondContact O-SG 3.35Å
450	L	96.6	Very high	97.4	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-55.3	-53.1	-168.7	178.5	65.1	0	0	0	112.6	L186 Q187 L190 C398 H401 L405 S448 C453 F454	L186-L450 HydrophobicContact CB-CD2 3.84Å; L186-L450 HydrophobicContact CB-CG 4.41Å; L186-L450 HydrophobicContact CD1-CG 4.33Å; Q187-L450 HydrophobicContact CG-CD2 4.03Å; L190-L450 HydrophobicContact CD1-CD1 4.15Å; L190-L450 HydrophobicContact CD1-CD2 3.53Å; L190-L450 HydrophobicContact CD1-CG 4.5Å; C398-L450 HydrophobicContact CB-CD1 3.87Å; H401-L450 HydrophobicContact CB-CD1 3.87Å; L405-L450 HydrophobicContact CD1-CD1 3.97Å; L405-L450 HydrophobicContact CD1-CD2 4.46Å; L405-L450 HydrophobicContact CD1-CG 4.39Å; S448-L450 VanDerWaalsContact C-N 3.32Å; S448-L450 PolarHBondContact O-N 3.44Å; L450-C453 PolarHBondContact O-N 3.46Å; L450-F454 VanDerWaalsContact O-CB 3.26Å; L450-F454 WeakPolarHBondContact O-CB 3.34Å; L450-F454 PolarHBondContact O-N 2.84Å
451	S	96.3	Very high	97.5	Very high	43 Å²	43	38.8 Å²	38.8	30%	0.301	21%	0.214	S	C	.	.	H	α-helix	trans	-57.8	-47.2	175.4	172.7	0	0	0	0	112.5	D183 D449 C453 F454 G455	D183-S451 WeakPolarHBondContact OD1-CB 3.34Å; D183-S451 PolarHBondContact OD1-N 3.18Å; D183-S451 WeakPolarHBondContact OD2-CB 3.17Å; D449-S451 PolarHBondContact O-N 2.83Å; S451-C453 PolarHBondContact O-N 2.79Å; S451-F454 PolarHBondContact O-N 3.38Å; S451-G455 PolarHBondContact O-N 2.96Å
452	R	97.1	Very high	97.5	Very high	105 Å²	105	32.4 Å²	32.4	40%	0.396	19%	0.191	S	C	.	.	H	α-helix	trans	-58	-49.2	177.5	-176.6	-175.6	65.8	67.6	-3	111.4	D444 D449 G455 L456	D444-R452 PolarHBondContact O-NH1 3.36Å; D444-R452 PolarHBondContact O-NH2 3.24Å; D449-R452 HydrophobicContact CB-CB 4.36Å; D449-R452 PolarHBondContact O-N 2.91Å; D449-R452 VanDerWaalsContact O-N 3.14Å; D449-R452 IonicContact OD2-CZ 3.39Å; D449-R452 IonicContact OD2-NE 2.71Å; D449-R452 PolarHBondContact OD2-NE 3.42Å; D449-R452 IonicContact OD2-NH2 2.82Å; D449-R452 PolarHBondContact OD2-NH2 3.12Å; R452-G455 PolarHBondContact O-N 2.96Å; R452-L456 HydrophobicContact CG-CD1 4.3Å; R452-L456 WeakPolarHBondContact O-CG 3.48Å; R452-L456 PolarHBondContact O-N 3.4Å
453	C	98.4	Very high	97.6	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.007	21%	0.207	C	C	.	.	H	α-helix	trans	-73.6	-34	-174.6	-61.4	0	0	0	0	112.5	C398 D444 W445 D449 L450 S451 L457	C398-C453 WeakPolarHBondContact SG-CB 3.36Å; D444-C453 PolarHBondContact O-SG 3.06Å; D444-C453 VanDerWaalsContact O-SG 3.37Å; W445-C453 HydrophobicContact CE3-CB 3.94Å; W445-C453 HydrophobicContact CZ3-CB 4.35Å; D449-C453 WeakPolarHBondContact O-CB 3.16Å; D449-C453 PolarHBondContact O-N 3.14Å; D449-C453 PolarHBondContact O-SG 3.35Å; L450-C453 PolarHBondContact O-N 3.46Å; S451-C453 PolarHBondContact O-N 2.79Å; C453-L457 WeakPolarHBondContact O-CB 3.46Å; C453-L457 PolarHBondContact O-N 3.19Å
454	F	98.6	Very high	97.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-70	-42.6	172	-175.6	-134.1	0	0	0	111.2	L186 C402 L405 L406 L409 L450 S451 L456 L457 L458 F504 F507	L186-F454 HydrophobicContact CD1-CB 4.45Å; L186-F454 HydrophobicContact CD1-CD1 3.84Å; L186-F454 HydrophobicContact CD2-CD1 3.66Å; L186-F454 HydrophobicContact CD2-CE1 3.71Å; L186-F454 HydrophobicContact CG-CD1 4.43Å; C402-F454 HydrophobicContact CB-CD2 4.41Å; L405-F454 HydrophobicContact CB-CD1 4.28Å; L405-F454 HydrophobicContact CB-CD2 3.93Å; L405-F454 HydrophobicContact CB-CE1 3.92Å; L405-F454 HydrophobicContact CB-CE2 3.57Å; L405-F454 HydrophobicContact CB-CG 4.29Å; L405-F454 HydrophobicContact CB-CZ 3.56Å; L405-F454 HydrophobicContact CD1-CD1 4.14Å; L405-F454 HydrophobicContact CD1-CE1 4.47Å; L405-F454 HydrophobicContact CD1-CG 4.16Å; L406-F454 HydrophobicContact CB-CE2 3.99Å; L409-F454 HydrophobicContact CD2-CZ 4.28Å; L450-F454 VanDerWaalsContact O-CB 3.26Å; L450-F454 WeakPolarHBondContact O-CB 3.34Å; L450-F454 PolarHBondContact O-N 2.84Å; S451-F454 PolarHBondContact O-N 3.38Å; F454-L456 PolarHBondContact O-N 2.92Å; F454-L457 PolarHBondContact O-N 3.04Å; F454-L457 VanDerWaalsContact O-N 3.14Å; F454-L458 HydrophobicContact CD1-CD1 3.91Å; F454-L458 HydrophobicContact CD2-CD1 4.17Å; F454-L458 HydrophobicContact CD2-CG 4.17Å; F454-L458 HydrophobicContact CE1-CD1 3.74Å; F454-L458 HydrophobicContact CE2-CD1 3.99Å; F454-L458 HydrophobicContact CE2-CD2 3.92Å; F454-L458 HydrophobicContact CE2-CG 3.89Å; F454-L458 HydrophobicContact CG-CD1 4.12Å; F454-L458 HydrophobicContact CZ-CD1 3.78Å; F454-L458 HydrophobicContact CZ-CD2 3.94Å; F454-L458 HydrophobicContact CZ-CG 4.09Å; F454-L458 WeakPolarHBondContact O-CD1 3.29Å; F454-L458 VanDerWaalsContact O-CG 3.24Å; F454-L458 WeakPolarHBondContact O-CG 3.41Å; F454-L458 PolarHBondContact O-N 3.27Å; F454-F504 HydrophobicContact CD1-CE1 4.22Å; F454-F504 HydrophobicContact CD1-CE2 4.09Å; F454-F504 AromaticContact CD1-CZ 3.68Å; F454-F504 HydrophobicContact CD1-CZ 3.68Å; F454-F504 HydrophobicContact CE1-CD1 4.15Å; F454-F504 AromaticContact CE1-CE1 3.53Å; F454-F504 HydrophobicContact CE1-CE1 3.53Å; F454-F504 HydrophobicContact CE1-CE2 4.06Å; F454-F504 AromaticContact CE1-CZ 3.48Å; F454-F504 HydrophobicContact CE1-CZ 3.48Å; F454-F504 VanDerWaalsContact CE1-CZ 3.48Å; F454-F504 HydrophobicContact CZ-CE1 4.24Å; F454-F504 HydrophobicContact CZ-CZ 4.5Å; F454-F507 HydrophobicContact CE1-CE2 4.01Å; F454-F507 HydrophobicContact CZ-CE2 4.36Å; F454-F507 HydrophobicContact CZ-CZ 4.45Å
455	G	98.3	Very high	97.7	Very high	14 Å²	14	31.1 Å²	31.1	14%	0.144	18%	0.181	C	C	.	.	H	α-helix	trans	-56.1	-44.8	173.1	0	0	0	0	0	113.3	S451 R452 L458 Q459	S451-G455 PolarHBondContact O-N 2.96Å; R452-G455 PolarHBondContact O-N 2.96Å; G455-L458 PolarHBondContact O-N 2.96Å; G455-Q459 WeakPolarHBondContact O-CG 3.12Å; G455-Q459 PolarHBondContact O-N 3.49Å
456	L	98.6	Very high	97.7	Very high	51 Å²	51	35.8 Å²	35.8	27%	0.267	20%	0.199	S	C	.	.	H	α-helix	trans	-63.8	-43.4	173.5	-70.9	168.9	0	0	0	112.2	R452 F454 L458 Q459 D460	R452-L456 HydrophobicContact CG-CD1 4.3Å; R452-L456 WeakPolarHBondContact O-CG 3.48Å; R452-L456 PolarHBondContact O-N 3.4Å; F454-L456 PolarHBondContact O-N 2.92Å; L456-L458 VanDerWaalsContact C-N 3.27Å; L456-L458 PolarHBondContact O-N 2.86Å; L456-Q459 WeakPolarHBondContact O-CB 3.31Å; L456-Q459 PolarHBondContact O-N 2.85Å; L456-D460 VanDerWaalsContact O-CG 3.26Å; L456-D460 PolarHBondContact O-N 3.49Å
457	L	98.8	Very high	97.7	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-63.5	-32.2	177.6	-178.5	65.7	0	0	0	112.9	C402 L406 T431 L432 A435 W445 C453 F454 D460 F461	C402-L457 HydrophobicContact CB-CD2 3.68Å; L406-L457 HydrophobicContact CB-CD2 4.23Å; L406-L457 HydrophobicContact CD2-CD2 3.99Å; L406-L457 HydrophobicContact CD2-CG 4.03Å; T431-L457 HydrophobicContact CG2-CD1 3.98Å; L432-L457 HydrophobicContact CB-CD1 4.27Å; L432-L457 HydrophobicContact CD1-CD1 4.1Å; L432-L457 HydrophobicContact CD1-CD2 3.65Å; A435-L457 HydrophobicContact CB-CD1 3.89Å; W445-L457 HydrophobicContact CH2-CD1 4.39Å; C453-L457 WeakPolarHBondContact O-CB 3.46Å; C453-L457 PolarHBondContact O-N 3.19Å; F454-L457 PolarHBondContact O-N 3.04Å; F454-L457 VanDerWaalsContact O-N 3.14Å; L457-D460 WeakPolarHBondContact CA-OD2 3.43Å; L457-F461 PolarHBondContact O-N 2.82Å; L457-F461 VanDerWaalsContact O-N 3.13Å
458	L	98.8	Very high	97.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-70.2	-42.7	173.6	-68.3	160.9	0	0	0	111.1	L406 L409 F454 G455 L456 D460 F461 E462 V496 R500 F504	L406-L458 HydrophobicContact CD1-CD2 3.68Å; L409-L458 HydrophobicContact CD2-CD2 3.48Å; L409-L458 VanDerWaalsContact CD2-CD2 3.48Å; F454-L458 HydrophobicContact CD1-CD1 3.91Å; F454-L458 HydrophobicContact CD2-CD1 4.17Å; F454-L458 HydrophobicContact CD2-CG 4.17Å; F454-L458 HydrophobicContact CE1-CD1 3.74Å; F454-L458 HydrophobicContact CE2-CD1 3.99Å; F454-L458 HydrophobicContact CE2-CD2 3.92Å; F454-L458 HydrophobicContact CE2-CG 3.89Å; F454-L458 HydrophobicContact CG-CD1 4.12Å; F454-L458 HydrophobicContact CZ-CD1 3.78Å; F454-L458 HydrophobicContact CZ-CD2 3.94Å; F454-L458 HydrophobicContact CZ-CG 4.09Å; F454-L458 WeakPolarHBondContact O-CD1 3.29Å; F454-L458 VanDerWaalsContact O-CG 3.24Å; F454-L458 WeakPolarHBondContact O-CG 3.41Å; F454-L458 PolarHBondContact O-N 3.27Å; G455-L458 PolarHBondContact O-N 2.96Å; L456-L458 VanDerWaalsContact C-N 3.27Å; L456-L458 PolarHBondContact O-N 2.86Å; L458-D460 VanDerWaalsContact C-N 3.34Å; L458-D460 PolarHBondContact O-N 2.95Å; L458-F461 WeakPolarHBondContact O-CB 3.31Å; L458-F461 PolarHBondContact O-N 3.49Å; L458-F461 VanDerWaalsContact O-N 3.09Å; L458-E462 WeakPolarHBondContact O-CG 3.49Å; L458-E462 PolarHBondContact O-N 3.02Å; L458-V496 HydrophobicContact CB-CG1 4.29Å; L458-V496 HydrophobicContact CD2-CG1 3.73Å; L458-R500 HydrophobicContact CD1-CB 4.23Å; L458-R500 HydrophobicContact CD1-CG 4.32Å; L458-F504 HydrophobicContact CD1-CE1 3.5Å; L458-F504 HydrophobicContact CD1-CZ 3.5Å
459	Q	98.8	Very high	98	Very high	90 Å²	90	39 Å²	39	42%	0.421	19%	0.19	S	C	.	.	H	α-helix	trans	-61.1	-39.8	173.2	-70.7	171.2	-6.8	0	0	112.3	G455 L456 F461 E462 S463	G455-Q459 WeakPolarHBondContact O-CG 3.12Å; G455-Q459 PolarHBondContact O-N 3.49Å; L456-Q459 WeakPolarHBondContact O-CB 3.31Å; L456-Q459 PolarHBondContact O-N 2.85Å; Q459-F461 VanDerWaalsContact C-N 3.33Å; Q459-F461 PolarHBondContact O-N 3.28Å; Q459-E462 PolarHBondContact O-N 3.05Å; Q459-S463 WeakPolarHBondContact O-CB 3.49Å; Q459-S463 PolarHBondContact O-N 3.01Å
460	D	98.8	Very high	98.1	Very high	39 Å²	39	36.5 Å²	36.5	21%	0.209	18%	0.177	C	C	.	.	H	α-helix	trans	-58	-46.5	171.6	-59.2	-46.6	0	0	0	110.3	T431 A435 R439 L456 L457 L458 S463 H464	T431-D460 HydrophobicContact CG2-CB 3.85Å; A435-D460 WeakPolarHBondContact CB-OD2 3.4Å; R439-D460 IonicContact CZ-OD2 2.68Å; R439-D460 VanDerWaalsContact CZ-OD2 3.22Å; R439-D460 IonicContact NH1-OD1 2.87Å; R439-D460 PolarHBondContact NH1-OD1 3.39Å; R439-D460 VanDerWaalsContact NH1-OD1 3.08Å; R439-D460 IonicContact NH1-OD2 3.76Å; R439-D460 PolarHBondContact NH1-OD2 3.34Å; R439-D460 IonicContact NH2-OD2 3.78Å; R439-D460 PolarHBondContact NH2-OD2 3.26Å; L456-D460 VanDerWaalsContact O-CG 3.26Å; L456-D460 PolarHBondContact O-N 3.49Å; L457-D460 WeakPolarHBondContact CA-OD2 3.43Å; L458-D460 VanDerWaalsContact C-N 3.34Å; L458-D460 PolarHBondContact O-N 2.95Å; D460-S463 PolarHBondContact O-N 3.37Å; D460-H464 PolarHBondContact O-CD2 3.32Å; D460-H464 PolarHBondContact O-N 3.31Å
461	F	98.8	Very high	98.1	Very high	1 Å²	1	41 Å²	41	0%	0.004	19%	0.194	C	C	.	.	H	α-helix	trans	-66.4	-44.6	-179.6	-169	-140.1	0	0	0	112.7	L406 L410 H427 T431 L457 L458 Q459 S463 H464 L465 L492 V496	L406-F461 HydrophobicContact CD1-CD1 3.88Å; L406-F461 HydrophobicContact CD1-CE1 4.39Å; L406-F461 HydrophobicContact CD1-CG 4.47Å; L410-F461 HydrophobicContact CD1-CE1 4.41Å; L410-F461 HydrophobicContact CD1-CZ 4.43Å; L410-F461 HydrophobicContact CD2-CZ 4.22Å; H427-F461 HydrophobicContact CB-CE2 4.11Å; T431-F461 HydrophobicContact CG2-CB 4.02Å; T431-F461 WeakPolarHBondContact OG1-CD2 3.2Å; L457-F461 PolarHBondContact O-N 2.82Å; L457-F461 VanDerWaalsContact O-N 3.13Å; L458-F461 WeakPolarHBondContact O-CB 3.31Å; L458-F461 PolarHBondContact O-N 3.49Å; L458-F461 VanDerWaalsContact O-N 3.09Å; Q459-F461 VanDerWaalsContact C-N 3.33Å; Q459-F461 PolarHBondContact O-N 3.28Å; F461-S463 VanDerWaalsContact C-N 3.3Å; F461-S463 PolarHBondContact O-N 3.24Å; F461-H464 PolarHBondContact O-N 2.81Å; F461-L465 HydrophobicContact CD1-CD1 3.88Å; F461-L465 HydrophobicContact CD2-CD1 4.09Å; F461-L465 HydrophobicContact CD2-CG 4.16Å; F461-L465 HydrophobicContact CE1-CD1 3.76Å; F461-L465 HydrophobicContact CE2-CD1 3.97Å; F461-L465 HydrophobicContact CE2-CD2 4.25Å; F461-L465 HydrophobicContact CE2-CG 4.03Å; F461-L465 HydrophobicContact CG-CD1 4.06Å; F461-L465 HydrophobicContact CZ-CD1 3.81Å; F461-L465 HydrophobicContact CZ-CD2 4.4Å; F461-L465 HydrophobicContact CZ-CG 4.3Å; F461-L465 WeakPolarHBondContact O-CB 3.47Å; F461-L465 VanDerWaalsContact O-CG 3.24Å; F461-L465 WeakPolarHBondContact O-CG 3.19Å; F461-L465 PolarHBondContact O-N 2.93Å; F461-L492 HydrophobicContact CE1-CD2 4.19Å; F461-L492 HydrophobicContact CZ-CD2 4.01Å; F461-V496 HydrophobicContact CD1-CG1 4.46Å; F461-V496 HydrophobicContact CD1-CG2 4.24Å; F461-V496 HydrophobicContact CE1-CG2 4.27Å
462	E	98.5	Very high	98.2	Very high	13 Å²	13	39.6 Å²	39.6	6%	0.061	18%	0.183	C	C	.	.	H	α-helix	trans	-57.4	-42.7	173.7	-72	168	-127.8	0	0	111.5	L458 Q459 L465 R466 A493 V496 K497 R500	L458-E462 WeakPolarHBondContact O-CG 3.49Å; L458-E462 PolarHBondContact O-N 3.02Å; Q459-E462 PolarHBondContact O-N 3.05Å; E462-L465 PolarHBondContact O-N 3.49Å; E462-R466 WeakPolarHBondContact O-CB 3.38Å; E462-R466 VanDerWaalsContact O-CG 3.31Å; E462-R466 WeakPolarHBondContact O-CG 3.36Å; E462-R466 PolarHBondContact O-N 3.22Å; E462-A493 HydrophobicContact CB-CB 4.46Å; E462-V496 HydrophobicContact CG-CB 4.22Å; E462-V496 HydrophobicContact CG-CG1 3.75Å; E462-K497 WeakPolarHBondContact OE2-CB 3.3Å; E462-R500 IonicContact OE1-CZ 2.69Å; E462-R500 IonicContact OE1-NE 2.74Å; E462-R500 PolarHBondContact OE1-NE 3.22Å; E462-R500 IonicContact OE1-NH2 3.75Å; E462-R500 PolarHBondContact OE1-NH2 2.83Å; E462-R500 VanDerWaalsContact OE1-NH2 3.14Å; E462-R500 IonicContact OE2-CZ 2.67Å; E462-R500 IonicContact OE2-NE 2.68Å; E462-R500 IonicContact OE2-NH2 3.78Å; E462-R500 PolarHBondContact OE2-NH2 3.03Å
463	S	98.5	Very high	98.2	Very high	59 Å²	59	34.9 Å²	34.9	41%	0.413	17%	0.166	S	C	.	.	H	α-helix	trans	-62.7	-49.3	178	-176.2	0	0	0	0	111.9	Q459 D460 F461 L465 R466 R467	Q459-S463 WeakPolarHBondContact O-CB 3.49Å; Q459-S463 PolarHBondContact O-N 3.01Å; D460-S463 PolarHBondContact O-N 3.37Å; F461-S463 VanDerWaalsContact C-N 3.3Å; F461-S463 PolarHBondContact O-N 3.24Å; S463-L465 VanDerWaalsContact C-N 3.31Å; S463-L465 PolarHBondContact O-N 3.43Å; S463-R466 PolarHBondContact O-N 2.91Å; S463-R467 WeakPolarHBondContact O-CB 3.29Å; S463-R467 WeakPolarHBondContact O-CD 3.09Å; S463-R467 WeakPolarHBondContact O-CG 3.09Å; S463-R467 PolarHBondContact O-N 2.94Å; S463-R467 VanDerWaalsContact O-N 3.1Å
464	H	98.6	Very high	98.2	Very high	31 Å²	31	34.9 Å²	34.9	14%	0.144	17%	0.165	C	C	.	.	H	α-helix	trans	-56.5	-44.2	173.8	-75.7	-62.8	0	0	0	112.2	D460 F461 G468 E469 L470 L481	D460-H464 PolarHBondContact O-CD2 3.32Å; D460-H464 PolarHBondContact O-N 3.31Å; F461-H464 PolarHBondContact O-N 2.81Å; H464-G468 WeakPolarHBondContact O-CA 3.37Å; H464-G468 PolarHBondContact O-N 3.42Å; H464-E469 PolarHBondContact ND1-O 3.05Å; H464-E469 PolarHBondContact O-N 3.29Å; H464-L470 HydrophobicContact CB-CB 4.29Å; H464-L470 HydrophobicContact CB-CD1 4.24Å; H464-L481 VanDerWaalsContact O-CD1 3.31Å; H464-L481 WeakPolarHBondContact O-CD1 3.33Å
465	L	98.5	Very high	98.1	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-68.3	-43.7	-179.7	-74.5	170.4	0	0	0	113.3	F423 F461 E462 S463 R467 G468 L481 C489 L492 A493	F423-L465 HydrophobicContact CD1-CD2 4.3Å; F423-L465 HydrophobicContact CE1-CD2 3.63Å; F423-L465 HydrophobicContact CZ-CD2 4.37Å; F461-L465 HydrophobicContact CD1-CD1 3.88Å; F461-L465 HydrophobicContact CD2-CD1 4.09Å; F461-L465 HydrophobicContact CD2-CG 4.16Å; F461-L465 HydrophobicContact CE1-CD1 3.76Å; F461-L465 HydrophobicContact CE2-CD1 3.97Å; F461-L465 HydrophobicContact CE2-CD2 4.25Å; F461-L465 HydrophobicContact CE2-CG 4.03Å; F461-L465 HydrophobicContact CG-CD1 4.06Å; F461-L465 HydrophobicContact CZ-CD1 3.81Å; F461-L465 HydrophobicContact CZ-CD2 4.4Å; F461-L465 HydrophobicContact CZ-CG 4.3Å; F461-L465 WeakPolarHBondContact O-CB 3.47Å; F461-L465 VanDerWaalsContact O-CG 3.24Å; F461-L465 WeakPolarHBondContact O-CG 3.19Å; F461-L465 PolarHBondContact O-N 2.93Å; E462-L465 PolarHBondContact O-N 3.49Å; S463-L465 VanDerWaalsContact C-N 3.31Å; S463-L465 PolarHBondContact O-N 3.43Å; L465-R467 VanDerWaalsContact C-N 3.35Å; L465-R467 PolarHBondContact O-N 3.47Å; L465-G468 PolarHBondContact O-N 2.93Å; L465-G468 VanDerWaalsContact O-N 3.12Å; L465-L481 HydrophobicContact CD2-CD1 4.16Å; L465-L481 HydrophobicContact CD2-CD2 4.06Å; L465-C489 WeakPolarHBondContact CB-O 3.5Å; L465-C489 HydrophobicContact CD2-CB 4.22Å; L465-C489 WeakPolarHBondContact O-CB 3.43Å; L465-L492 HydrophobicContact CD1-CB 4.18Å; L465-L492 HydrophobicContact CD1-CD2 3.79Å; L465-L492 HydrophobicContact CD1-CG 3.7Å; L465-L492 HydrophobicContact CD2-CD2 3.93Å; L465-A493 HydrophobicContact CB-CB 3.79Å; L465-A493 HydrophobicContact CD1-CB 4.24Å
466	R	98.3	Very high	97.8	Very high	97 Å²	97	37.1 Å²	37.1	37%	0.366	18%	0.176	S	C	.	.	H	α-helix	trans	-67.3	-34.7	179.2	-71.6	-179.8	-167.8	-72.7	-6.8	112.5	E462 S463 A493 D494	E462-R466 WeakPolarHBondContact O-CB 3.38Å; E462-R466 VanDerWaalsContact O-CG 3.31Å; E462-R466 WeakPolarHBondContact O-CG 3.36Å; E462-R466 PolarHBondContact O-N 3.22Å; S463-R466 PolarHBondContact O-N 2.91Å; R466-A493 HydrophobicContact CG-CB 3.67Å; R466-A493 VanDerWaalsContact NH2-C 3.35Å; R466-A493 PolarHBondContact NH2-O 3.31Å; R466-D494 IonicContact CZ-OD1 3.9Å; R466-D494 IonicContact NH1-OD1 2.67Å; R466-D494 PolarHBondContact NH1-OD1 3.28Å; R466-D494 IonicContact NH1-OD2 3.17Å; R466-D494 IonicContact NH2-OD1 2.75Å; R466-D494 PolarHBondContact NH2-OD1 2.95Å
467	R	97.2	Very high	97.5	Very high	144 Å²	144	39 Å²	39	54%	0.543	19%	0.194	S	C	.	.	H	α-helix	trans	-70.5	-33.3	169.8	-69.6	165.7	59.7	173.1	1.8	112.2	S463 L465 E469	S463-R467 WeakPolarHBondContact O-CB 3.29Å; S463-R467 WeakPolarHBondContact O-CD 3.09Å; S463-R467 WeakPolarHBondContact O-CG 3.09Å; S463-R467 PolarHBondContact O-N 2.94Å; S463-R467 VanDerWaalsContact O-N 3.1Å; L465-R467 VanDerWaalsContact C-N 3.35Å; L465-R467 PolarHBondContact O-N 3.47Å; R467-E469 HydrophobicContact CB-CB 4.02Å; R467-E469 HydrophobicContact CB-CG 4.13Å; R467-E469 IonicContact CZ-OE2 3.6Å; R467-E469 IonicContact NE-OE2 2.7Å; R467-E469 PolarHBondContact NE-OE2 2.85Å; R467-E469 IonicContact NH2-OE2 3.17Å; R467-E469 PolarHBondContact NH2-OE2 2.96Å
468	G	97.2	Very high	97.3	Very high	12 Å²	12	42 Å²	42	12%	0.124	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	29.1	-168.1	0	0	0	0	0	112.3	H464 L465 N479	H464-G468 WeakPolarHBondContact O-CA 3.37Å; H464-G468 PolarHBondContact O-N 3.42Å; L465-G468 PolarHBondContact O-N 2.93Å; L465-G468 VanDerWaalsContact O-N 3.12Å; G468-N479 PolarHBondContact O-ND2 2.77Å; G468-N479 PolarHBondContact O-OD1 3.14Å
469	E	97.5	Very high	97.2	Very high	63 Å²	63	43.4 Å²	43.4	29%	0.294	22%	0.215	S	C	.	.			trans	-132.2	99.9	-170.5	-66.9	175.9	161.9	0	0	111.3	H464 R467 Y471	H464-E469 PolarHBondContact ND1-O 3.05Å; H464-E469 PolarHBondContact O-N 3.29Å; R467-E469 HydrophobicContact CB-CB 4.02Å; R467-E469 HydrophobicContact CB-CG 4.13Å; R467-E469 IonicContact CZ-OE2 3.6Å; R467-E469 IonicContact NE-OE2 2.7Å; R467-E469 PolarHBondContact NE-OE2 2.85Å; R467-E469 IonicContact NH2-OE2 3.17Å; R467-E469 PolarHBondContact NH2-OE2 2.96Å; E469-Y471 HydrophobicContact CB-CE2 4.29Å
470	L	98.1	Very high	97	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.202	C	C	.	.			trans	-132.4	90.6	169.7	-176.9	64.8	0	0	0	108.6	H427 T430 H464 N479 L480 L481	H427-L470 HydrophobicContact CB-CD2 3.86Å; T430-L470 HydrophobicContact CG2-CD1 3.98Å; T430-L470 HydrophobicContact CG2-CD2 4.47Å; T430-L470 HydrophobicContact CG2-CG 4.01Å; H464-L470 HydrophobicContact CB-CB 4.29Å; H464-L470 HydrophobicContact CB-CD1 4.24Å; L470-N479 PolarHBondContact N-OD1 2.99Å; L470-L480 HydrophobicContact CD2-CD1 4.48Å; L470-L480 HydrophobicContact CG-CD1 4.45Å; L470-L480 VanDerWaalsContact O-CB 3.28Å; L470-L480 WeakPolarHBondContact O-CB 3.47Å; L470-L480 WeakPolarHBondContact O-CG 3.32Å; L470-L480 PolarHBondContact O-N 3.05Å; L470-L481 HydrophobicContact CB-CD1 3.79Å; L470-L481 HydrophobicContact CB-CG 3.79Å
471	Y	97.6	Very high	96.9	Very high	98 Å²	98	38.8 Å²	38.8	38%	0.384	19%	0.193	S	C	.	.	B	Isolated β-bridge	trans	-68.9	141.4	-179.5	-64	-79.7	0	0	0	111.7	T430 H434 E469 F473 P476 Q478 N479	T430-Y471 VanDerWaalsContact CG2-O 3.3Å; T430-Y471 WeakPolarHBondContact CG2-O 3.48Å; H434-Y471 PolarHBondContact NE2-O 3.4Å; E469-Y471 HydrophobicContact CB-CE2 4.29Å; Y471-F473 PolarHBondContact O-N 2.72Å; Y471-P476 WeakPolarHBondContact CD1-O 3.46Å; Y471-Q478 CarbonylContact C-O 3.33Å; Y471-Q478 WeakPolarHBondContact CA-O 3.25Å; Y471-N479 HydrophobicContact CD1-CB 3.97Å; Y471-N479 HydrophobicContact CE1-CB 3.85Å
472	N	97.1	Very high	96.5	Very high	13 Å²	13	43 Å²	43	7%	0.07	22%	0.223	C	C	.	.			trans	-60.8	130.1	175.4	179.1	-26.7	0	0	0	109.7	F474 I475 Q478 L480	N472-F474 PolarHBondContact O-N 2.98Å; N472-F474 VanDerWaalsContact O-N 3.07Å; N472-F474 PolarHBondContact OD1-N 3.38Å; N472-I475 HydrophobicContact CB-CB 4.12Å; N472-I475 CarbonylContact O-C 3.59Å; N472-I475 PolarHBondContact O-N 3.21Å; N472-I475 VanDerWaalsContact O-N 3.17Å; N472-Q478 HydrophobicContact CB-CB 4.08Å; N472-Q478 PolarHBondContact N-O 3.46Å; N472-Q478 PolarHBondContact ND2-OE1 3.03Å; N472-L480 HydrophobicContact CB-CD2 4.13Å; N472-L480 HydrophobicContact CB-CG 4.28Å
473	F	97.9	Very high	95.8	Very high	6 Å²	6	44.8 Å²	44.8	3%	0.026	25%	0.245	C	C	.	.	S	Bend	trans	-57.5	-26.1	-175.6	-165.5	-112	0	0	0	114.2	L326 I328 I379 T430 L433 H434 C437 Y471	L326-F473 HydrophobicContact CD1-CD1 4.39Å; L326-F473 HydrophobicContact CD1-CE1 3.86Å; L326-F473 PolarHBondContact N-O 3.49Å; I328-F473 HydrophobicContact CG2-CE1 3.89Å; I328-F473 HydrophobicContact CG2-CZ 3.64Å; I379-F473 HydrophobicContact CD1-CE1 4.14Å; T430-F473 HydrophobicContact CG2-CB 4.5Å; L433-F473 HydrophobicContact CB-CB 4.49Å; L433-F473 HydrophobicContact CB-CD1 4.14Å; L433-F473 HydrophobicContact CB-CD2 3.61Å; L433-F473 HydrophobicContact CB-CE1 4.2Å; L433-F473 HydrophobicContact CB-CE2 3.72Å; L433-F473 HydrophobicContact CB-CG 3.83Å; L433-F473 HydrophobicContact CB-CZ 4.01Å; L433-F473 HydrophobicContact CD1-CB 4.17Å; L433-F473 HydrophobicContact CD1-CD1 3.93Å; L433-F473 HydrophobicContact CD1-CE1 4.48Å; L433-F473 HydrophobicContact CD1-CG 4.01Å; L433-F473 HydrophobicContact CD2-CE1 4.3Å; L433-F473 HydrophobicContact CG-CD1 4.44Å; L433-F473 HydrophobicContact CG-CG 4.49Å; L433-F473 WeakPolarHBondContact O-CE2 3.43Å; H434-F473 AromaticContact CE1-CD2 3.79Å; H434-F473 AromaticContact ND1-CD2 3.75Å; C437-F473 VanDerWaalsContact SG-CE2 3.58Å; Y471-F473 PolarHBondContact O-N 2.72Å
474	F	97.1	Very high	95.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.229	C	C	.	.	S	Bend	trans	-106.7	-17.2	179.9	-55.8	-92.5	0	0	0	113.8	W318 T322 L326 F372 I375 E376 I379 N472	W318-F474 HydrophobicContact CH2-CD1 4Å; W318-F474 HydrophobicContact CH2-CE1 4.23Å; W318-F474 AromaticContact CZ3-CD1 3.91Å; W318-F474 HydrophobicContact CZ3-CD1 3.91Å; T322-F474 WeakPolarHBondContact CA-O 3.49Å; T322-F474 WeakPolarHBondContact CB-O 3.36Å; L326-F474 HydrophobicContact CD1-CD1 4.37Å; L326-F474 HydrophobicContact CD1-CE1 3.87Å; F372-F474 HydrophobicContact CB-CD1 3.73Å; F372-F474 HydrophobicContact CB-CD2 3.96Å; F372-F474 HydrophobicContact CB-CE1 3.65Å; F372-F474 HydrophobicContact CB-CE2 3.9Å; F372-F474 HydrophobicContact CB-CG 3.89Å; F372-F474 HydrophobicContact CB-CZ 3.74Å; F372-F474 HydrophobicContact CD1-CD1 4.3Å; F372-F474 HydrophobicContact CD2-CB 3.33Å; F372-F474 AromaticContact CD2-CD1 3.75Å; F372-F474 HydrophobicContact CD2-CD1 3.75Å; F372-F474 AromaticContact CD2-CD2 3.93Å; F372-F474 HydrophobicContact CD2-CD2 3.93Å; F372-F474 AromaticContact CD2-CG 3.39Å; F372-F474 HydrophobicContact CD2-CG 3.39Å; F372-F474 HydrophobicContact CE2-CB 3.55Å; F372-F474 HydrophobicContact CE2-CD1 4.44Å; F372-F474 HydrophobicContact CE2-CG 4.11Å; F372-F474 HydrophobicContact CG-CB 4.16Å; F372-F474 AromaticContact CG-CD1 3.66Å; F372-F474 HydrophobicContact CG-CD1 3.66Å; F372-F474 HydrophobicContact CG-CD2 4.27Å; F372-F474 HydrophobicContact CG-CE1 4.08Å; F372-F474 AromaticContact CG-CG 3.77Å; F372-F474 HydrophobicContact CG-CG 3.77Å; I375-F474 HydrophobicContact CB-CE1 3.99Å; I375-F474 HydrophobicContact CB-CZ 4.22Å; I375-F474 HydrophobicContact CG2-CE1 3.76Å; I375-F474 HydrophobicContact CG2-CZ 4.17Å; E376-F474 HydrophobicContact CG-CE2 3.44Å; E376-F474 VanDerWaalsContact CG-CE2 3.44Å; E376-F474 HydrophobicContact CG-CZ 3.59Å; I379-F474 HydrophobicContact CD1-CZ 4.45Å; N472-F474 PolarHBondContact O-N 2.98Å; N472-F474 VanDerWaalsContact O-N 3.07Å; N472-F474 PolarHBondContact OD1-N 3.38Å
475	I	96.4	Very high	94.9	Very high	20 Å²	20	42.9 Å²	42.9	10%	0.103	24%	0.24	C	C	.	.			trans	-129.9	85.2	-174.8	-54.3	175.4	0	0	0	107.9	F321 T322 N472 S477 Q478	F321-I475 HydrophobicContact CD2-CG1 4.46Å; F321-I475 HydrophobicContact CD2-CG2 4.02Å; F321-I475 HydrophobicContact CE2-CD1 4.26Å; F321-I475 HydrophobicContact CE2-CG1 4.41Å; F321-I475 HydrophobicContact CE2-CG2 4.47Å; T322-I475 HydrophobicContact CG2-CG1 4.29Å; N472-I475 HydrophobicContact CB-CB 4.12Å; N472-I475 CarbonylContact O-C 3.59Å; N472-I475 PolarHBondContact O-N 3.21Å; N472-I475 VanDerWaalsContact O-N 3.17Å; I475-S477 PolarHBondContact O-N 3.3Å; I475-S477 VanDerWaalsContact O-N 3.1Å; I475-Q478 HydrophobicContact CB-CB 4.19Å; I475-Q478 HydrophobicContact CG2-CB 3.83Å; I475-Q478 PolarHBondContact O-N 2.91Å
476	P	92.8	Very high	94.7	Very high	41 Å²	41	50.7 Å²	50.7	27%	0.266	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-23.5	-171.6	-25.6	35.1	0	0	0	115	D324 G325 Y471 Q478	D324-P476 VanDerWaalsContact C-CG 3.4Å; D324-P476 HydrophobicContact CB-CG 4.13Å; G325-P476 VanDerWaalsContact N-CG 3.31Å; Y471-P476 WeakPolarHBondContact CD1-O 3.46Å; P476-Q478 VanDerWaalsContact C-N 3.35Å
477	S	92.3	Very high	94.5	Very high	92 Å²	92	51.9 Å²	51.9	64%	0.643	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-21.4	175	51.2	0	0	0	0	113.7	I475 N479	I475-S477 PolarHBondContact O-N 3.3Å; I475-S477 VanDerWaalsContact O-N 3.1Å; S477-N479 PolarHBondContact O-N 3.25Å
478	Q	94.4	Very high	94.5	Very high	62 Å²	62	49.3 Å²	49.3	29%	0.29	28%	0.282	S	S	.	.			trans	-89.9	101.4	-176.5	-172.4	-173.9	33.2	0	0	111.4	Y471 N472 I475 P476 L480	Y471-Q478 CarbonylContact C-O 3.33Å; Y471-Q478 WeakPolarHBondContact CA-O 3.25Å; N472-Q478 HydrophobicContact CB-CB 4.08Å; N472-Q478 PolarHBondContact N-O 3.46Å; N472-Q478 PolarHBondContact ND2-OE1 3.03Å; I475-Q478 HydrophobicContact CB-CB 4.19Å; I475-Q478 HydrophobicContact CG2-CB 3.83Å; I475-Q478 PolarHBondContact O-N 2.91Å; P476-Q478 VanDerWaalsContact C-N 3.35Å; Q478-L480 HydrophobicContact CG-CD2 4.36Å; Q478-L480 PolarHBondContact O-N 3.14Å
479	N	96.3	Very high	94.5	Very high	29 Å²	29	48.8 Å²	48.8	16%	0.155	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-78.8	113.2	166.8	179.1	6.4	0	0	0	111	G468 L470 Y471 S477 L481 S482	G468-N479 PolarHBondContact O-ND2 2.77Å; G468-N479 PolarHBondContact O-OD1 3.14Å; L470-N479 PolarHBondContact N-OD1 2.99Å; Y471-N479 HydrophobicContact CD1-CB 3.97Å; Y471-N479 HydrophobicContact CE1-CB 3.85Å; S477-N479 PolarHBondContact O-N 3.25Å; N479-L481 PolarHBondContact O-N 3.31Å; N479-L481 PolarHBondContact OD1-N 3.46Å; N479-S482 WeakPolarHBondContact O-CB 3.48Å; N479-S482 PolarHBondContact O-N 2.95Å; N479-S482 PolarHBondContact O-OG 3.15Å
480	L	95.6	Very high	94.5	Very high	28 Å²	28	51.3 Å²	51.3	15%	0.147	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-15.4	-177.5	-59.3	174.4	0	0	0	114.2	Y426 T430 L470 N472 Q478	Y426-L480 HydrophobicContact CD1-CD1 3.92Å; Y426-L480 HydrophobicContact CE1-CD1 4.01Å; Y426-L480 HydrophobicContact CE1-CD2 4.45Å; T430-L480 HydrophobicContact CG2-CD1 3.94Å; L470-L480 HydrophobicContact CD2-CD1 4.48Å; L470-L480 HydrophobicContact CG-CD1 4.45Å; L470-L480 VanDerWaalsContact O-CB 3.28Å; L470-L480 WeakPolarHBondContact O-CB 3.47Å; L470-L480 WeakPolarHBondContact O-CG 3.32Å; L470-L480 PolarHBondContact O-N 3.05Å; N472-L480 HydrophobicContact CB-CD2 4.13Å; N472-L480 HydrophobicContact CB-CG 4.28Å; Q478-L480 HydrophobicContact CG-CD2 4.36Å; Q478-L480 PolarHBondContact O-N 3.14Å
481	L	96.3	Very high	94.5	Very high	4 Å²	4	55 Å²	55	2%	0.021	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-8	179.9	-60.7	178.9	0	0	0	113.6	F423 H464 L465 L470 N479 G483 L484	F423-L481 HydrophobicContact CE1-CD2 4.11Å; H464-L481 VanDerWaalsContact O-CD1 3.31Å; H464-L481 WeakPolarHBondContact O-CD1 3.33Å; L465-L481 HydrophobicContact CD2-CD1 4.16Å; L465-L481 HydrophobicContact CD2-CD2 4.06Å; L470-L481 HydrophobicContact CB-CD1 3.79Å; L470-L481 HydrophobicContact CB-CG 3.79Å; N479-L481 PolarHBondContact O-N 3.31Å; N479-L481 PolarHBondContact OD1-N 3.46Å; L481-G483 PolarHBondContact O-N 3.49Å; L481-L484 HydrophobicContact CD2-CD1 3.68Å; L481-L484 WeakPolarHBondContact O-CB 3.41Å; L481-L484 PolarHBondContact O-N 2.89Å
482	S	89.7	Confident	94.5	Very high	89 Å²	89	50.3 Å²	50.3	62%	0.622	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-52	-53.7	-175.5	53.6	0	0	0	0	113.3	N479 L484	N479-S482 WeakPolarHBondContact O-CB 3.48Å; N479-S482 PolarHBondContact O-N 2.95Å; N479-S482 PolarHBondContact O-OG 3.15Å; S482-L484 PolarHBondContact O-N 3.05Å
483	G	84.2	Confident	94.6	Very high	51 Å²	51	49.7 Å²	49.7	53%	0.526	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-75.6	3.3	179	0	0	0	0	0	116.1	L481	L481-G483 PolarHBondContact O-N 3.49Å
484	L	88.4	Confident	94.6	Very high	15 Å²	15	52.9 Å²	52.9	8%	0.079	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-96.8	-25.4	-175.8	-55.2	-173.6	0	0	0	113.3	K422 F423 L481 S482 R488	K422-L484 HydrophobicContact CB-CD2 3.68Å; K422-L484 HydrophobicContact CD-CD2 4.12Å; F423-L484 HydrophobicContact CD1-CD1 3.6Å; F423-L484 HydrophobicContact CE1-CB 4.49Å; F423-L484 HydrophobicContact CE1-CD1 3.43Å; F423-L484 VanDerWaalsContact CE1-CD1 3.43Å; F423-L484 HydrophobicContact CG-CD1 4.37Å; F423-L484 HydrophobicContact CZ-CB 4.42Å; F423-L484 HydrophobicContact CZ-CD1 4.08Å; L481-L484 HydrophobicContact CD2-CD1 3.68Å; L481-L484 WeakPolarHBondContact O-CB 3.41Å; L481-L484 PolarHBondContact O-N 2.89Å; S482-L484 PolarHBondContact O-N 3.05Å; L484-R488 VanDerWaalsContact O-CZ 3.3Å; L484-R488 PolarHBondContact O-NE 3.11Å; L484-R488 PolarHBondContact O-NH2 2.7Å
485	G	90.1	Very high	94.7	Very high	36 Å²	36	54 Å²	54	37%	0.371	31%	0.307	S	S	.	.			trans	82.6	136.2	175.5	0	0	0	0	0	113.7	T487 R488 C489	G485-T487 VanDerWaalsContact C-N 3.35Å; G485-T487 PolarHBondContact O-N 3.47Å; G485-R488 PolarHBondContact O-N 3.02Å; G485-C489 PolarHBondContact O-N 2.71Å; G485-C489 PolarHBondContact O-SG 3.36Å
486	K	93.2	Very high	94.8	Very high	164 Å²	164	53.1 Å²	53.1	71%	0.713	30%	0.302	S	S	*	.	H	α-helix	trans	-58	-39.6	-167.3	-64.8	-175.6	178.3	-177.9	0	113.7	C489 K490	K486-C489 PolarHBondContact O-N 2.86Å; K486-K490 WeakPolarHBondContact O-CG 3.39Å; K486-K490 PolarHBondContact O-N 3.33Å
487	T	95.5	Very high	95	Very high	122 Å²	122	55 Å²	55	75%	0.748	31%	0.306	S	S	*	.	H	α-helix	trans	-62.4	-45.8	-179	-43.1	0	0	0	0	112.7	G485 C489 K490 H491	G485-T487 VanDerWaalsContact C-N 3.35Å; G485-T487 PolarHBondContact O-N 3.47Å; T487-C489 VanDerWaalsContact C-N 3.35Å; T487-C489 PolarHBondContact O-N 3.09Å; T487-K490 PolarHBondContact O-N 2.94Å; T487-H491 WeakPolarHBondContact O-CB 3.37Å; T487-H491 PolarHBondContact O-N 3.02Å
488	R	96.3	Very high	95.3	Very high	90 Å²	90	55.5 Å²	55.5	34%	0.34	30%	0.299	S	S	.	.	H	α-helix	trans	-68.7	-32.9	177.1	-75.4	-170	-63.6	-140.6	-11.8	113.1	F423 L484 G485 L492	F423-R488 HydrophobicContact CE2-CB 4.33Å; F423-R488 HydrophobicContact CZ-CB 4.42Å; L484-R488 VanDerWaalsContact O-CZ 3.3Å; L484-R488 PolarHBondContact O-NE 3.11Å; L484-R488 PolarHBondContact O-NH2 2.7Å; G485-R488 PolarHBondContact O-N 3.02Å; R488-L492 PolarHBondContact O-N 3.03Å
489	C	97.8	Very high	95.4	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.007	29%	0.289	C	S	.	.	H	α-helix	trans	-68.8	-41.1	175.7	-57.2	0	0	0	0	110.9	L465 G485 K486 T487 A493	L465-C489 WeakPolarHBondContact CB-O 3.5Å; L465-C489 HydrophobicContact CD2-CB 4.22Å; L465-C489 WeakPolarHBondContact O-CB 3.43Å; G485-C489 PolarHBondContact O-N 2.71Å; G485-C489 PolarHBondContact O-SG 3.36Å; K486-C489 PolarHBondContact O-N 2.86Å; T487-C489 VanDerWaalsContact C-N 3.35Å; T487-C489 PolarHBondContact O-N 3.09Å; C489-A493 WeakPolarHBondContact O-CB 3.48Å; C489-A493 PolarHBondContact O-N 2.9Å
490	K	97.8	Very high	95.4	Very high	116 Å²	116	54.5 Å²	54.5	50%	0.504	29%	0.291	S	S	.	.	H	α-helix	trans	-59.3	-53.2	170.7	-73.1	-177.7	176.1	-171	0	111.6	K486 T487 L492 A493 D494	K486-K490 WeakPolarHBondContact O-CG 3.39Å; K486-K490 PolarHBondContact O-N 3.33Å; T487-K490 PolarHBondContact O-N 2.94Å; K490-L492 PolarHBondContact O-N 3.39Å; K490-A493 CarbonylContact O-C 3.45Å; K490-A493 WeakPolarHBondContact O-CA 3.49Å; K490-A493 VanDerWaalsContact O-CB 3.31Å; K490-A493 WeakPolarHBondContact O-CB 3.17Å; K490-A493 PolarHBondContact O-N 3.22Å; K490-D494 PolarHBondContact O-N 3.33Å
491	H	97.9	Very high	95.4	Very high	77 Å²	77	57.7 Å²	57.7	36%	0.356	31%	0.305	S	S	.	.	H	α-helix	trans	-51.2	-50	177.5	-180	56.8	0	0	0	112.7	D417 T487 A493 D494 C495	D417-H491 IonicContact OD2-CD2 2.62Å; D417-H491 PolarHBondContact OD2-CD2 2.72Å; D417-H491 IonicContact OD2-CE1 3.92Å; D417-H491 IonicContact OD2-NE2 2.74Å; D417-H491 PolarHBondContact OD2-NE2 3.49Å; T487-H491 WeakPolarHBondContact O-CB 3.37Å; T487-H491 PolarHBondContact O-N 3.02Å; H491-A493 VanDerWaalsContact C-N 3.32Å; H491-A493 PolarHBondContact O-N 2.8Å; H491-D494 PolarHBondContact O-N 2.75Å; H491-D494 VanDerWaalsContact O-N 3.09Å; H491-C495 PolarHBondContact O-N 2.78Å; H491-C495 PolarHBondContact O-SG 3.47Å; H491-C495 VanDerWaalsContact O-SG 3.38Å
492	L	98.3	Very high	95.3	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-61.4	-38.1	174.3	179.4	60.6	0	0	0	112.7	L410 L413 L420 F423 F461 L465 R488 K490 D494 C495 V496	L410-L492 HydrophobicContact CD1-CD1 4.13Å; L410-L492 HydrophobicContact CD1-CD2 3.96Å; L413-L492 HydrophobicContact CD1-CD1 4.13Å; L420-L492 HydrophobicContact CD1-CD1 4.04Å; L420-L492 HydrophobicContact CD2-CB 3.99Å; L420-L492 HydrophobicContact CD2-CD1 4.45Å; F423-L492 HydrophobicContact CB-CD2 4.21Å; F423-L492 HydrophobicContact CD1-CD2 3.47Å; F423-L492 VanDerWaalsContact CD1-CD2 3.47Å; F423-L492 HydrophobicContact CD2-CD2 3.79Å; F423-L492 HydrophobicContact CE1-CD2 3.66Å; F423-L492 HydrophobicContact CE2-CB 4.29Å; F423-L492 HydrophobicContact CE2-CD2 3.96Å; F423-L492 HydrophobicContact CG-CD2 3.56Å; F423-L492 HydrophobicContact CZ-CB 4.27Å; F423-L492 HydrophobicContact CZ-CD2 3.9Å; F461-L492 HydrophobicContact CE1-CD2 4.19Å; F461-L492 HydrophobicContact CZ-CD2 4.01Å; L465-L492 HydrophobicContact CD1-CB 4.18Å; L465-L492 HydrophobicContact CD1-CD2 3.79Å; L465-L492 HydrophobicContact CD1-CG 3.7Å; L465-L492 HydrophobicContact CD2-CD2 3.93Å; R488-L492 PolarHBondContact O-N 3.03Å; K490-L492 PolarHBondContact O-N 3.39Å; L492-D494 VanDerWaalsContact C-N 3.28Å; L492-D494 PolarHBondContact O-N 2.74Å; L492-C495 PolarHBondContact O-N 3.45Å; L492-V496 HydrophobicContact CD1-CG2 3.93Å; L492-V496 HydrophobicContact CG-CG2 4.25Å; L492-V496 VanDerWaalsContact O-CB 3.32Å; L492-V496 WeakPolarHBondContact O-CB 3.19Å; L492-V496 WeakPolarHBondContact O-CG2 3.32Å; L492-V496 PolarHBondContact O-N 3.29Å
493	A	98.6	Very high	95.5	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-67.7	-28.7	175.8	0	0	0	0	0	112.8	E462 L465 R466 C489 K490 H491 K497	E462-A493 HydrophobicContact CB-CB 4.46Å; L465-A493 HydrophobicContact CB-CB 3.79Å; L465-A493 HydrophobicContact CD1-CB 4.24Å; R466-A493 HydrophobicContact CG-CB 3.67Å; R466-A493 VanDerWaalsContact NH2-C 3.35Å; R466-A493 PolarHBondContact NH2-O 3.31Å; C489-A493 WeakPolarHBondContact O-CB 3.48Å; C489-A493 PolarHBondContact O-N 2.9Å; K490-A493 CarbonylContact O-C 3.45Å; K490-A493 WeakPolarHBondContact O-CA 3.49Å; K490-A493 VanDerWaalsContact O-CB 3.31Å; K490-A493 WeakPolarHBondContact O-CB 3.17Å; K490-A493 PolarHBondContact O-N 3.22Å; H491-A493 VanDerWaalsContact C-N 3.32Å; H491-A493 PolarHBondContact O-N 2.8Å; A493-K497 WeakPolarHBondContact O-CB 3.35Å; A493-K497 PolarHBondContact O-N 3.32Å
494	D	98.5	Very high	96	Very high	74 Å²	74	57 Å²	57	40%	0.396	29%	0.288	S	S	.	.	H	α-helix	trans	-74.3	-45.9	174.8	-65	-45.6	0	0	0	110.6	R466 K490 H491 L492 V496 K497 E498	R466-D494 IonicContact CZ-OD1 3.9Å; R466-D494 IonicContact NH1-OD1 2.67Å; R466-D494 PolarHBondContact NH1-OD1 3.28Å; R466-D494 IonicContact NH1-OD2 3.17Å; R466-D494 IonicContact NH2-OD1 2.75Å; R466-D494 PolarHBondContact NH2-OD1 2.95Å; K490-D494 PolarHBondContact O-N 3.33Å; H491-D494 PolarHBondContact O-N 2.75Å; H491-D494 VanDerWaalsContact O-N 3.09Å; L492-D494 VanDerWaalsContact C-N 3.28Å; L492-D494 PolarHBondContact O-N 2.74Å; D494-V496 PolarHBondContact O-N 3.23Å; D494-K497 WeakPolarHBondContact O-CB 3.44Å; D494-K497 PolarHBondContact O-N 3.48Å; D494-E498 WeakPolarHBondContact O-CB 3.41Å; D494-E498 PolarHBondContact O-N 2.75Å
495	C	98.2	Very high	96.3	Very high	23 Å²	23	58.9 Å²	58.9	16%	0.155	30%	0.301	C	S	.	.	H	α-helix	trans	-62.3	-40.1	172.6	-59.9	0	0	0	0	113.2	L413 H491 L492 E498 Q499	L413-C495 HydrophobicContact CD2-CB 4.15Å; H491-C495 PolarHBondContact O-N 2.78Å; H491-C495 PolarHBondContact O-SG 3.47Å; H491-C495 VanDerWaalsContact O-SG 3.38Å; L492-C495 PolarHBondContact O-N 3.45Å; C495-E498 PolarHBondContact O-N 3.26Å; C495-Q499 WeakPolarHBondContact O-CG 3.25Å; C495-Q499 PolarHBondContact O-N 3.15Å; C495-Q499 VanDerWaalsContact O-N 3.08Å
496	V	98.3	Very high	96.6	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.006	29%	0.287	C	S	.	.	H	α-helix	trans	-66.4	-41.9	176.5	168.5	0	0	0	0	110.9	L413 L458 F461 E462 L492 D494 Q499 R500	L413-V496 HydrophobicContact CD1-CG2 3.91Å; L458-V496 HydrophobicContact CB-CG1 4.29Å; L458-V496 HydrophobicContact CD2-CG1 3.73Å; F461-V496 HydrophobicContact CD1-CG1 4.46Å; F461-V496 HydrophobicContact CD1-CG2 4.24Å; F461-V496 HydrophobicContact CE1-CG2 4.27Å; E462-V496 HydrophobicContact CG-CB 4.22Å; E462-V496 HydrophobicContact CG-CG1 3.75Å; L492-V496 HydrophobicContact CD1-CG2 3.93Å; L492-V496 HydrophobicContact CG-CG2 4.25Å; L492-V496 VanDerWaalsContact O-CB 3.32Å; L492-V496 WeakPolarHBondContact O-CB 3.19Å; L492-V496 WeakPolarHBondContact O-CG2 3.32Å; L492-V496 PolarHBondContact O-N 3.29Å; D494-V496 PolarHBondContact O-N 3.23Å; V496-Q499 PolarHBondContact O-N 3.19Å; V496-R500 WeakPolarHBondContact O-CB 3.38Å; V496-R500 PolarHBondContact O-N 3.3Å
497	K	98.3	Very high	96.7	Very high	82 Å²	82	50.1 Å²	50.1	36%	0.357	25%	0.253	S	S	.	.	H	α-helix	trans	-59.7	-48.3	173.8	177.2	-173	169.1	-165.5	0	111.2	E462 A493 D494 Q499 R500 E501	E462-K497 WeakPolarHBondContact OE2-CB 3.3Å; A493-K497 WeakPolarHBondContact O-CB 3.35Å; A493-K497 PolarHBondContact O-N 3.32Å; D494-K497 WeakPolarHBondContact O-CB 3.44Å; D494-K497 PolarHBondContact O-N 3.48Å; K497-Q499 PolarHBondContact O-N 3.45Å; K497-R500 WeakPolarHBondContact O-CB 3.46Å; K497-R500 PolarHBondContact O-N 3.26Å; K497-R500 VanDerWaalsContact O-N 3.17Å; K497-E501 WeakPolarHBondContact CE-OE1 3.23Å; K497-E501 WeakPolarHBondContact CE-OE2 3.34Å; K497-E501 HydrophobicContact CG-CG 4.47Å; K497-E501 WeakPolarHBondContact CG-OE1 3.06Å; K497-E501 IonicContact NZ-OE2 3.77Å; K497-E501 WeakPolarHBondContact O-CB 3.18Å; K497-E501 PolarHBondContact O-N 2.82Å
498	E	97.8	Very high	96.5	Very high	102 Å²	102	46.9 Å²	46.9	48%	0.477	23%	0.232	S	C	.	.	H	α-helix	trans	-57	-49.3	179.3	-173.1	-163.4	165.6	0	0	111.4	D494 C495 R500 E501 N502	D494-E498 WeakPolarHBondContact O-CB 3.41Å; D494-E498 PolarHBondContact O-N 2.75Å; C495-E498 PolarHBondContact O-N 3.26Å; E498-R500 VanDerWaalsContact C-N 3.32Å; E498-R500 PolarHBondContact O-N 3.48Å; E498-E501 PolarHBondContact O-N 3.48Å; E498-N502 WeakPolarHBondContact CG-ND2 3.37Å; E498-N502 WeakPolarHBondContact O-CB 3.45Å; E498-N502 PolarHBondContact O-N 2.88Å
499	Q	96.7	Very high	96.3	Very high	18 Å²	18	45.1 Å²	45.1	8%	0.084	24%	0.237	C	C	.	.	H	α-helix	trans	-62.7	-38	177.5	-67	-62.2	-42.8	0	0	112	L409 L413 C495 V496 K497 G503 F504 P505 I506	L409-Q499 HydrophobicContact CD1-CB 4.14Å; L409-Q499 HydrophobicContact CD1-CG 4.13Å; L413-Q499 HydrophobicContact CD2-CG 4.28Å; C495-Q499 WeakPolarHBondContact O-CG 3.25Å; C495-Q499 PolarHBondContact O-N 3.15Å; C495-Q499 VanDerWaalsContact O-N 3.08Å; V496-Q499 PolarHBondContact O-N 3.19Å; K497-Q499 PolarHBondContact O-N 3.45Å; Q499-G503 PolarHBondContact O-N 2.91Å; Q499-F504 HydrophobicContact CB-CD1 4.17Å; Q499-F504 WeakPolarHBondContact O-CD1 3.49Å; Q499-F504 PolarHBondContact O-N 3.22Å; Q499-P505 VanDerWaalsContact OE1-CD 3.24Å; Q499-I506 HydrophobicContact CG-CG2 4.22Å
500	R	96.2	Very high	95.9	Very high	52 Å²	52	47 Å²	47	20%	0.196	24%	0.243	C	C	.	.	H	α-helix	trans	-64.3	-39.4	174.6	179	174	54.5	67.1	-1.4	112.8	L458 E462 V496 K497 E498	L458-R500 HydrophobicContact CD1-CB 4.23Å; L458-R500 HydrophobicContact CD1-CG 4.32Å; E462-R500 IonicContact OE1-CZ 2.69Å; E462-R500 IonicContact OE1-NE 2.74Å; E462-R500 PolarHBondContact OE1-NE 3.22Å; E462-R500 IonicContact OE1-NH2 3.75Å; E462-R500 PolarHBondContact OE1-NH2 2.83Å; E462-R500 VanDerWaalsContact OE1-NH2 3.14Å; E462-R500 IonicContact OE2-CZ 2.67Å; E462-R500 IonicContact OE2-NE 2.68Å; E462-R500 IonicContact OE2-NH2 3.78Å; E462-R500 PolarHBondContact OE2-NH2 3.03Å; V496-R500 WeakPolarHBondContact O-CB 3.38Å; V496-R500 PolarHBondContact O-N 3.3Å; K497-R500 WeakPolarHBondContact O-CB 3.46Å; K497-R500 PolarHBondContact O-N 3.26Å; K497-R500 VanDerWaalsContact O-N 3.17Å; E498-R500 VanDerWaalsContact C-N 3.32Å; E498-R500 PolarHBondContact O-N 3.48Å
501	E	95.6	Very high	95.5	Very high	94 Å²	94	43.2 Å²	43.2	44%	0.439	23%	0.229	S	C	.	.	H	α-helix	trans	-86.1	-29.6	-174	-72.3	172.1	-169.3	0	0	112.8	K497 E498	K497-E501 WeakPolarHBondContact CE-OE1 3.23Å; K497-E501 WeakPolarHBondContact CE-OE2 3.34Å; K497-E501 HydrophobicContact CG-CG 4.47Å; K497-E501 WeakPolarHBondContact CG-OE1 3.06Å; K497-E501 IonicContact NZ-OE2 3.77Å; K497-E501 WeakPolarHBondContact O-CB 3.18Å; K497-E501 PolarHBondContact O-N 2.82Å; E498-E501 PolarHBondContact O-N 3.48Å
502	N	94.6	Very high	94.9	Very high	90 Å²	90	46.5 Å²	46.5	48%	0.481	24%	0.244	S	C	.	.	H	α-helix	trans	-88.3	-8	177	-69.9	-28.4	0	0	0	114.3	E498 P505	E498-N502 WeakPolarHBondContact CG-ND2 3.37Å; E498-N502 WeakPolarHBondContact O-CB 3.45Å; E498-N502 PolarHBondContact O-N 2.88Å; N502-P505 HydrophobicContact CB-CG 4.3Å
503	G	93.2	Very high	94	Very high	28 Å²	28	52.4 Å²	52.4	29%	0.289	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.5	23.4	173.2	0	0	0	0	0	115.5	Q499	Q499-G503 PolarHBondContact O-N 2.91Å
504	F	95.8	Very high	92.4	Very high	11 Å²	11	55.8 Å²	55.8	5%	0.048	30%	0.298	C	S	.	.			trans	65.2	51.3	-178.5	-45.4	-74.8	0	0	0	116.2	L186 F454 L458 Q499 I506 F507 D508	L186-F504 HydrophobicContact CD1-CE2 4.38Å; L186-F504 HydrophobicContact CD2-CD2 3.8Å; L186-F504 HydrophobicContact CD2-CE2 3.94Å; L186-F504 HydrophobicContact CD2-CG 4.39Å; L186-F504 HydrophobicContact CG-CD2 4.45Å; L186-F504 HydrophobicContact CG-CE2 4.46Å; F454-F504 HydrophobicContact CD1-CE1 4.22Å; F454-F504 HydrophobicContact CD1-CE2 4.09Å; F454-F504 AromaticContact CD1-CZ 3.68Å; F454-F504 HydrophobicContact CD1-CZ 3.68Å; F454-F504 HydrophobicContact CE1-CD1 4.15Å; F454-F504 AromaticContact CE1-CE1 3.53Å; F454-F504 HydrophobicContact CE1-CE1 3.53Å; F454-F504 HydrophobicContact CE1-CE2 4.06Å; F454-F504 AromaticContact CE1-CZ 3.48Å; F454-F504 HydrophobicContact CE1-CZ 3.48Å; F454-F504 VanDerWaalsContact CE1-CZ 3.48Å; F454-F504 HydrophobicContact CZ-CE1 4.24Å; F454-F504 HydrophobicContact CZ-CZ 4.5Å; L458-F504 HydrophobicContact CD1-CE1 3.5Å; L458-F504 HydrophobicContact CD1-CZ 3.5Å; Q499-F504 HydrophobicContact CB-CD1 4.17Å; Q499-F504 WeakPolarHBondContact O-CD1 3.49Å; Q499-F504 PolarHBondContact O-N 3.22Å; F504-I506 PolarHBondContact O-N 3.4Å; F504-F507 HydrophobicContact CB-CB 4.15Å; F504-F507 HydrophobicContact CB-CD2 3.5Å; F504-F507 VanDerWaalsContact CB-CD2 3.5Å; F504-F507 HydrophobicContact CB-CE2 4.19Å; F504-F507 HydrophobicContact CB-CG 4.03Å; F504-F507 HydrophobicContact CD1-CD2 4.35Å; F504-F507 HydrophobicContact CD1-CE2 4.2Å; F504-F507 AromaticContact CG-CD2 3.9Å; F504-F507 HydrophobicContact CG-CD2 3.9Å; F504-F507 HydrophobicContact CG-CE2 4.13Å; F504-F507 WeakPolarHBondContact O-CA 3.4Å; F504-F507 WeakPolarHBondContact O-CB 3.47Å; F504-F507 PolarHBondContact O-N 3.17Å; F504-D508 PolarHBondContact O-N 3.38Å
505	P	94.8	Very high	90.3	Very high	55 Å²	55	61 Å²	61	36%	0.357	34%	0.338	S	S	.	.	H	α-helix	trans	-56.5	-23.4	175.8	24.3	-35.2	0	0	0	114.1	Q499 N502 F507 D508 A509	Q499-P505 VanDerWaalsContact OE1-CD 3.24Å; N502-P505 HydrophobicContact CB-CG 4.3Å; P505-F507 VanDerWaalsContact C-N 3.3Å; P505-F507 PolarHBondContact O-N 3.08Å; P505-D508 PolarHBondContact O-N 2.98Å; P505-A509 PolarHBondContact O-N 3.46Å
506	I	95.2	Very high	89.9	Confident	16 Å²	16	62.9 Å²	62.9	8%	0.082	35%	0.347	C	S	.	.	H	α-helix	trans	-67.7	-28.4	172.7	-156.7	170.3	0	0	0	113	L409 L412 L413 Q499 F504 Y510	L409-I506 HydrophobicContact CD1-CG2 3.62Å; L412-I506 HydrophobicContact CB-CD1 3.57Å; L412-I506 HydrophobicContact CB-CG1 3.87Å; L412-I506 HydrophobicContact CD1-CG1 4.2Å; L412-I506 HydrophobicContact CD1-CG2 4.41Å; L413-I506 HydrophobicContact CD2-CD1 3.91Å; L413-I506 HydrophobicContact CG-CD1 4.22Å; Q499-I506 HydrophobicContact CG-CG2 4.22Å; F504-I506 PolarHBondContact O-N 3.4Å; I506-Y510 PolarHBondContact O-N 3.47Å
507	F	95.6	Very high	89.4	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-76.2	-37.8	170.6	-69	-23.6	0	0	0	111.3	V185 L186 T189 L405 H408 L409 L412 F454 F504 P505 A509 Y510 L511	V185-F507 HydrophobicContact CG1-CB 3.64Å; V185-F507 HydrophobicContact CG1-CD2 4.38Å; L186-F507 HydrophobicContact CD2-CD2 3.93Å; L186-F507 HydrophobicContact CD2-CE2 3.73Å; T189-F507 HydrophobicContact CG2-CD1 4.29Å; T189-F507 HydrophobicContact CG2-CE1 4.43Å; T189-F507 HydrophobicContact CG2-CG 4.36Å; L405-F507 HydrophobicContact CD2-CE2 3.88Å; L405-F507 HydrophobicContact CD2-CZ 4.13Å; H408-F507 HydrophobicContact CB-CE1 4.46Å; H408-F507 AromaticContact CD2-CD1 3.83Å; H408-F507 AromaticContact CD2-CE1 3.43Å; H408-F507 VanDerWaalsContact CD2-CE1 3.43Å; H408-F507 WeakPolarHBondContact CD2-CE1 3.41Å; L409-F507 HydrophobicContact CB-CE1 4.08Å; L409-F507 HydrophobicContact CB-CZ 3.85Å; L412-F507 HydrophobicContact CD1-CD1 3.77Å; L412-F507 HydrophobicContact CD1-CE1 4.08Å; F454-F507 HydrophobicContact CE1-CE2 4.01Å; F454-F507 HydrophobicContact CZ-CE2 4.36Å; F454-F507 HydrophobicContact CZ-CZ 4.45Å; F504-F507 HydrophobicContact CB-CB 4.15Å; F504-F507 HydrophobicContact CB-CD2 3.5Å; F504-F507 VanDerWaalsContact CB-CD2 3.5Å; F504-F507 HydrophobicContact CB-CE2 4.19Å; F504-F507 HydrophobicContact CB-CG 4.03Å; F504-F507 HydrophobicContact CD1-CD2 4.35Å; F504-F507 HydrophobicContact CD1-CE2 4.2Å; F504-F507 AromaticContact CG-CD2 3.9Å; F504-F507 HydrophobicContact CG-CD2 3.9Å; F504-F507 HydrophobicContact CG-CE2 4.13Å; F504-F507 WeakPolarHBondContact O-CA 3.4Å; F504-F507 WeakPolarHBondContact O-CB 3.47Å; F504-F507 PolarHBondContact O-N 3.17Å; P505-F507 VanDerWaalsContact C-N 3.3Å; P505-F507 PolarHBondContact O-N 3.08Å; F507-A509 VanDerWaalsContact C-N 3.35Å; F507-A509 PolarHBondContact O-N 3.46Å; F507-Y510 CarbonylContact O-C 3.11Å; F507-Y510 PolarHBondContact O-N 3.46Å; F507-L511 WeakPolarHBondContact O-CB 3.44Å; F507-L511 VanDerWaalsContact O-CG 3.23Å; F507-L511 WeakPolarHBondContact O-CG 3.33Å; F507-L511 PolarHBondContact O-N 2.89Å
508	D	91.9	Very high	88.9	Confident	55 Å²	55	65.2 Å²	65.2	29%	0.294	37%	0.365	S	S	.	.	H	α-helix	trans	-60.6	-44.2	173.9	-71.1	-51.8	0	0	0	111.8	V185 F504 P505 Y510 L511 Q512	V185-D508 WeakPolarHBondContact CG2-OD1 3.35Å; F504-D508 PolarHBondContact O-N 3.38Å; P505-D508 PolarHBondContact O-N 2.98Å; D508-Y510 PolarHBondContact O-N 3.31Å; D508-L511 PolarHBondContact O-N 3.03Å; D508-L511 VanDerWaalsContact O-N 3.15Å; D508-Q512 WeakPolarHBondContact O-CG 3.34Å; D508-Q512 PolarHBondContact O-N 2.86Å
509	A	91.3	Very high	88.4	Confident	53 Å²	53	63.1 Å²	63.1	44%	0.438	36%	0.359	S	S	.	.	H	α-helix	trans	-58.2	-45.1	174.2	0	0	0	0	0	112.4	P505 F507 Q512 N513	P505-A509 PolarHBondContact O-N 3.46Å; F507-A509 VanDerWaalsContact C-N 3.35Å; F507-A509 PolarHBondContact O-N 3.46Å; A509-Q512 PolarHBondContact O-N 3.11Å; A509-N513 PolarHBondContact O-N 3.29Å
510	Y	89.8	Confident	87.9	Confident	39 Å²	39	65.9 Å²	65.9	15%	0.153	38%	0.376	C	S	.	.	H	α-helix	trans	-69.2	-30	174.5	170.1	-100.4	0	0	0	113.6	K192 H408 L412 I506 F507 D508 N513 P514	K192-Y510 HydrophobicContact CD-CE1 4.06Å; K192-Y510 PolarHBondContact NZ-O 3.07Å; H408-Y510 AromaticContact CE1-CD1 3.8Å; H408-Y510 AromaticContact CE1-CE1 3.72Å; H408-Y510 AromaticContact CE1-CZ 3.85Å; H408-Y510 AromaticContact NE2-CD1 3.25Å; H408-Y510 VanDerWaalsContact NE2-CD1 3.25Å; H408-Y510 WeakPolarHBondContact NE2-CD1 2.92Å; H408-Y510 AromaticContact NE2-CE1 3.36Å; H408-Y510 WeakPolarHBondContact NE2-CE1 3.08Å; H408-Y510 AromaticContact NE2-CG 3.79Å; H408-Y510 AromaticContact NE2-CZ 3.98Å; L412-Y510 HydrophobicContact CD1-CG 4.36Å; L412-Y510 HydrophobicContact CD2-CD2 4.28Å; L412-Y510 HydrophobicContact CD2-CG 4.49Å; I506-Y510 PolarHBondContact O-N 3.47Å; F507-Y510 CarbonylContact O-C 3.11Å; F507-Y510 PolarHBondContact O-N 3.46Å; D508-Y510 PolarHBondContact O-N 3.31Å; Y510-N513 CarbonylContact O-C 3.46Å; Y510-P514 HydrophobicContact CD2-CB 4.42Å; Y510-P514 HydrophobicContact CE2-CB 3.94Å; Y510-P514 WeakPolarHBondContact O-CA 3.38Å
511	L	88.4	Confident	87.4	Confident	37 Å²	37	66.8 Å²	66.8	19%	0.194	39%	0.388	C	S	.	.	H	α-helix	trans	-70.2	-36.8	176.6	-77.1	176	0	0	0	111.2	V185 K192 F507 D508	V185-L511 HydrophobicContact CG1-CD1 4.05Å; K192-L511 HydrophobicContact CD-CD2 3.97Å; K192-L511 HydrophobicContact CG-CD2 4.46Å; K192-L511 PolarHBondContact NZ-O 3Å; F507-L511 WeakPolarHBondContact O-CB 3.44Å; F507-L511 VanDerWaalsContact O-CG 3.23Å; F507-L511 WeakPolarHBondContact O-CG 3.33Å; F507-L511 PolarHBondContact O-N 2.89Å; D508-L511 PolarHBondContact O-N 3.03Å; D508-L511 VanDerWaalsContact O-N 3.15Å
512	Q	85.9	Confident	86.8	Confident	147 Å²	147	64.9 Å²	64.9	69%	0.687	38%	0.384	S	S	*	.	H	α-helix	trans	-74.4	-49.6	173.7	-65.9	169.9	20.5	0	0	112.1	D508 A509 P514	D508-Q512 WeakPolarHBondContact O-CG 3.34Å; D508-Q512 PolarHBondContact O-N 2.86Å; A509-Q512 PolarHBondContact O-N 3.11Å; Q512-P514 WeakPolarHBondContact O-CD 3.46Å
513	N	78.7	Confident	86.2	Confident	123 Å²	123	62.9 Å²	62.9	66%	0.658	38%	0.377	S	S	*	.	S	Bend	trans	-122	81.2	-177.6	-63.5	-67.9	0	0	0	110.7	A509 Y510 C515	A509-N513 PolarHBondContact O-N 3.29Å; Y510-N513 CarbonylContact O-C 3.46Å; N513-C515 PolarHBondContact O-N 2.94Å
514	P	65.3	Low	85.6	Confident	71 Å²	71	65.8 Å²	65.8	46%	0.461	38%	0.384	S	S	.	.			trans	-75.1	122.9	175.9	30.2	-33.4	0	0	0	111.2	Y510 Q512	Y510-P514 HydrophobicContact CD2-CB 4.42Å; Y510-P514 HydrophobicContact CE2-CB 3.94Å; Y510-P514 WeakPolarHBondContact O-CA 3.38Å; Q512-P514 WeakPolarHBondContact O-CD 3.46Å
515	C	54.3	Low	84.7	Confident	183 Å²	183	70.8 Å²	70.8	100%	1.236	42%	0.415	S	S	*	.			trans	-67.9	0	167.3	-50.2	0	0	0	0	112.3	N513	N513-C515 PolarHBondContact O-N 2.94Å

Retrieved 515 of 515 residues in 136.2 ms (Link to these results)

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