A0A077ZA00_TRITR Loading...

KH 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZA00, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 710 aa.

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(Predicted Aligned Error values between residue pairs)

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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	42.1	Very low	36.9	Very low	245 Å²	245	132.4 Å²	132.4	100%	1.207	85%	0.846	S	S	*	*				0	129.4	0	-64.6	173.6	82.8	0	0	106.6
2	S	33.4	Very low	36.6	Very low	126 Å²	126	127.4 Å²	127.4	88%	0.881	84%	0.838	S	S	*	*			trans	-107.9	157	-152.2	-47.2	0	0	0	0	113.1
3	G	43	Very low	36.4	Very low	81 Å²	81	128.3 Å²	128.3	84%	0.835	84%	0.839	S	S	*	*			trans	174.9	82.3	176	0	0	0	0	0	112.3
4	T	35.7	Very low	35.9	Very low	133 Å²	133	125.9 Å²	125.9	82%	0.816	83%	0.834	S	S	*	*			trans	-110.2	150.1	-167.8	-31.4	0	0	0	0	112.4
5	A	35.8	Very low	35.8	Very low	98 Å²	98	126.6 Å²	126.6	81%	0.81	83%	0.834	S	S	*	*			trans	67	165.7	158.1	0	0	0	0	0	116.7
6	A	38.3	Very low	35.3	Very low	95 Å²	95	126.1 Å²	126.1	79%	0.785	83%	0.834	S	S	*	*			cis	-145.1	162.3	3.2	0	0	0	0	0	112
7	T	33.1	Very low	35.3	Very low	121 Å²	121	124.1 Å²	124.1	74%	0.742	83%	0.83	S	S	*	*			trans	-72.3	160.2	168.3	47.9	0	0	0	0	112.6
8	N	38.7	Very low	35.2	Very low	169 Å²	169	122.6 Å²	122.6	90%	0.904	83%	0.828	S	S	*	*				-171.8	151	124.2	-90.3	-17.2	0	0	0	112.9
9	N	33.1	Very low	34.9	Very low	150 Å²	150	123.9 Å²	123.9	80%	0.802	83%	0.825	S	S	*	*			trans	-120.4	142.3	-174.2	168.1	28.6	0	0	0	109.8
10	A	38.2	Very low	35	Very low	87 Å²	87	124.8 Å²	124.8	72%	0.719	83%	0.827	S	S	*	*			trans	-157.9	126.6	157.3	0	0	0	0	0	112.8
11	N	35	Very low	34.8	Very low	151 Å²	151	125.1 Å²	125.1	81%	0.807	82%	0.821	S	S	*	*			trans	2.7	142.5	147.5	-47	-22.9	0	0	0	118.2
12	G	32.5	Very low	34.5	Very low	73 Å²	73	119.3 Å²	119.3	75%	0.753	80%	0.804	S	S	*	*			cis	105.4	87.1	19.8	0	0	0	0	0	111.6
13	V	34.7	Very low	34.4	Very low	139 Å²	139	117.1 Å²	117.1	84%	0.842	79%	0.794	S	S	*	*			trans	-144.5	132.7	170.6	179	0	0	0	0	109.6
14	A	28.7	Very low	33.9	Very low	94 Å²	94	119.1 Å²	119.1	78%	0.777	79%	0.79	S	S	*	*			trans	-98.2	153.5	171.3	0	0	0	0	0	110.9
15	V	35.2	Very low	33.7	Very low	137 Å²	137	120 Å²	120	83%	0.83	79%	0.788	S	S	*	*			trans	-132.8	122.9	170	-177.8	0	0	0	0	109.7
16	S	28	Very low	33.5	Very low	119 Å²	119	122.1 Å²	122.1	83%	0.832	79%	0.786	S	S	*	*			trans	-99.5	136.9	171.4	-57.5	0	0	0	0	110
17	A	34.3	Very low	33.2	Very low	92 Å²	92	122.9 Å²	122.9	76%	0.76	78%	0.781	S	S	*	*			trans	-148.2	105.5	160.3	0	0	0	0	0	106.9
18	A	33.9	Very low	33.3	Very low	96 Å²	96	124.3 Å²	124.3	79%	0.793	78%	0.784	S	S	*	*				84.2	105.2	75.9	0	0	0	0	0	111.5
19	L	28.9	Very low	33	Very low	148 Å²	148	121.3 Å²	121.3	78%	0.775	78%	0.776	S	S	*	*			trans	-70.6	144.4	-179.1	-166.5	81.3	0	0	0	111.2
20	V	38	Very low	33.1	Very low	142 Å²	142	117.8 Å²	117.8	86%	0.861	78%	0.776	S	S	*	*			trans	-130	112.4	162.1	-124.4	0	0	0	0	109.6
21	N	30.3	Very low	32.9	Very low	131 Å²	131	120.2 Å²	120.2	70%	0.701	78%	0.781	S	S	*	*			trans	-92.9	137.6	170.9	-86.5	-26.3	0	0	0	109.8
22	S	34.5	Very low	32.9	Very low	123 Å²	123	118.6 Å²	118.6	86%	0.86	78%	0.782	S	S	*	*			trans	151.6	150.7	146.8	-72.9	0	0	0	0	110.6
23	A	33.2	Very low	32.8	Very low	81 Å²	81	119.7 Å²	119.7	67%	0.669	78%	0.778	S	S	*	*			cis	-169.9	152.9	-27.2	0	0	0	0	0	109
24	T	32	Very low	32.8	Very low	122 Å²	122	122.4 Å²	122.4	75%	0.748	78%	0.779	S	S	*	*			trans	70.7	128.7	149.3	16.1	0	0	0	0	123
25	I	31.3	Very low	32.9	Very low	151 Å²	151	123.5 Å²	123.5	77%	0.774	78%	0.776	S	S	*	*			trans	66.8	137.8	151.2	-41.3	171.9	0	0	0	115.3
26	N	32.5	Very low	32.7	Very low	143 Å²	143	121 Å²	121	77%	0.765	77%	0.77	S	S	*	*			cis	-146.8	169.4	22.6	-147.3	-7.2	0	0	0	114.4
27	T	30.8	Very low	32.9	Very low	112 Å²	112	122.5 Å²	122.5	69%	0.687	77%	0.768	S	S	*	*			trans	-75.3	140.2	168	53.3	0	0	0	0	113
28	N	34.4	Very low	32.7	Very low	151 Å²	151	124.5 Å²	124.5	81%	0.807	77%	0.771	S	S	*	*				-172	151.3	110.1	-128.4	-14.2	0	0	0	115.6
29	S	34.5	Very low	32.7	Very low	106 Å²	106	124.2 Å²	124.2	74%	0.741	77%	0.768	S	S	*	*			trans	6.8	140.5	152.6	61.5	0	0	0	0	121.8
30	G	34.9	Very low	32.9	Very low	76 Å²	76	123.4 Å²	123.4	78%	0.784	77%	0.77	S	S	*	*			trans	164.4	80	154.9	0	0	0	0	0	117.4
31	T	33.8	Very low	32.7	Very low	137 Å²	137	121.7 Å²	121.7	84%	0.84	77%	0.77	S	S	*	*			trans	-42.5	132.8	163.2	46.8	0	0	0	0	115
32	S	33.9	Very low	32.9	Very low	117 Å²	117	119.3 Å²	119.3	82%	0.818	78%	0.777	S	S	*	*				165	156.7	107.9	52.7	0	0	0	0	113.1
33	S	31.7	Very low	32.9	Very low	97 Å²	97	126 Å²	126	68%	0.678	78%	0.783	S	S	*	*			trans	-60.5	151	174.1	50.9	0	0	0	0	114.1
34	F	33.3	Very low	32.9	Very low	196 Å²	196	126 Å²	126	86%	0.86	79%	0.792	S	S	*	*				-155.8	168.6	115.6	-125.6	-92.4	0	0	0	112.2
35	V	31.2	Very low	33.1	Very low	117 Å²	117	124.8 Å²	124.8	71%	0.709	79%	0.794	S	S	*	*			trans	-110.2	159.4	-160.6	-87.6	0	0	0	0	114.5
36	A	31.3	Very low	33.3	Very low	85 Å²	85	125.1 Å²	125.1	70%	0.702	80%	0.797	S	S	*	*			trans	86.3	147.7	143.3	0	0	0	0	0	121.7
37	N	31.5	Very low	33.4	Very low	150 Å²	150	129.2 Å²	129.2	80%	0.802	80%	0.801	S	S	*	*			trans	72.2	125.8	160	-62.7	-9	0	0	0	118.2
38	V	30.1	Very low	33.7	Very low	133 Å²	133	128.3 Å²	128.3	81%	0.806	81%	0.805	S	S	*	*			cis	114.8	144.4	27.2	157.3	0	0	0	0	109.3
39	A	34.1	Very low	33.8	Very low	90 Å²	90	125.1 Å²	125.1	74%	0.744	81%	0.808	S	S	*	*			trans	78.1	148	177.1	0	0	0	0	0	116.6
40	T	33.3	Very low	34	Very low	132 Å²	132	123 Å²	123	81%	0.81	80%	0.803	S	S	*	*			cis	165.5	126.1	-32.7	-93.1	0	0	0	0	105.6
41	A	33.6	Very low	34.4	Very low	105 Å²	105	126.9 Å²	126.9	87%	0.868	81%	0.812	S	S	*	*			trans	50.6	133.4	157.8	0	0	0	0	0	121.7
42	G	36.2	Very low	34.6	Very low	82 Å²	82	123.9 Å²	123.9	85%	0.845	81%	0.808	S	S	*	*			trans	-176.4	98.7	163.2	0	0	0	0	0	112.5
43	R	32.9	Very low	35	Very low	262 Å²	262	123.8 Å²	123.8	99%	0.989	81%	0.805	S	S	*	*			trans	-79.1	147.5	172.9	-76.9	178.5	165.9	-164	-2.5	110.7
44	G	34.5	Very low	35.4	Very low	83 Å²	83	127.1 Å²	127.1	86%	0.856	81%	0.814	S	S	*	*			trans	-175.2	114.2	163.3	0	0	0	0	0	112.2
45	A	35.1	Very low	35.8	Very low	96 Å²	96	122.8 Å²	122.8	79%	0.793	81%	0.805	S	S	*	*			trans	-118.3	156.2	175.6	0	0	0	0	0	110.2
46	L	36.4	Very low	35.9	Very low	157 Å²	157	122.1 Å²	122.1	82%	0.822	81%	0.806	S	S	*	*			trans	172.6	121.8	152.7	-90.5	157.8	0	0	0	106.6
47	R	34.3	Very low	36.4	Very low	230 Å²	230	123.7 Å²	123.7	87%	0.868	81%	0.812	S	S	*	*				57.3	142.5	89.7	-79.1	-167.8	155.2	-137.5	-1.3	114.9
48	A	37.4	Very low	36.7	Very low	92 Å²	92	124 Å²	124	76%	0.76	81%	0.813	S	S	*	*			cis	-174.3	165	-12	0	0	0	0	0	110.8
49	G	37	Very low	37.4	Very low	85 Å²	85	123.4 Å²	123.4	88%	0.876	81%	0.812	S	S	*	*			trans	96	145.4	160.8	0	0	0	0	0	116.4
50	G	38.7	Very low	37.5	Very low	62 Å²	62	125.2 Å²	125.2	64%	0.639	81%	0.814	S	S	*	*			cis	171.7	165.8	-7.5	0	0	0	0	0	113.2
51	T	42.3	Very low	37.8	Very low	157 Å²	157	126.9 Å²	126.9	96%	0.963	82%	0.817	S	S	*	*			trans	59.9	142.5	164.8	62.6	0	0	0	0	118.1
52	G	37.7	Very low	38	Very low	73 Å²	73	126.1 Å²	126.1	75%	0.753	81%	0.811	S	S	*	*			cis	-169.9	-166.8	16.1	0	0	0	0	0	111.6
53	P	43.4	Very low	38.2	Very low	116 Å²	116	129.5 Å²	129.5	75%	0.753	81%	0.809	S	S	*	*			trans	-126.8	153.8	-143.3	40.7	-29	0	0	0	120
54	L	39.8	Very low	39	Very low	167 Å²	167	121.7 Å²	121.7	87%	0.874	79%	0.793	S	S	*	*			trans	54.3	172.7	143.9	-65.3	176.5	0	0	0	120.1
55	P	41.5	Very low	39.3	Very low	105 Å²	105	125.8 Å²	125.8	68%	0.682	79%	0.789	S	S	*	*			cis	-132	173.3	-6.7	38.6	-20.7	0	0	0	117.1
56	S	34.1	Very low	39.5	Very low	102 Å²	102	127.4 Å²	127.4	71%	0.713	78%	0.782	S	S	*	*			trans	46.3	129.5	144.5	64	0	0	0	0	124.1
57	S	41.1	Very low	39.8	Very low	118 Å²	118	126.3 Å²	126.3	83%	0.825	78%	0.781	S	S	*	*				176.7	137	116.5	-76.3	0	0	0	0	113.4
58	N	37.9	Very low	40	Very low	157 Å²	157	122.1 Å²	122.1	84%	0.84	78%	0.776	S	S	*	*			trans	-108.7	157.2	168.4	-82.9	-11.2	0	0	0	110.6
59	P	43.7	Very low	40.8	Very low	120 Å²	120	121.8 Å²	121.8	78%	0.779	77%	0.766	S	S	*	*				-137	147.1	117.7	27.1	-9.7	0	0	0	112
60	V	37.1	Very low	41	Very low	128 Å²	128	125.2 Å²	125.2	78%	0.776	77%	0.765	S	S	*	*				78.2	105.3	50.1	177.4	0	0	0	0	114.7
61	L	39	Very low	40.9	Very low	167 Å²	167	125.8 Å²	125.8	87%	0.874	77%	0.77	S	S	*	*			trans	167.3	151	145.3	-118.2	61.1	0	0	0	108.8
62	A	39	Very low	41.4	Very low	90 Å²	90	123.1 Å²	123.1	74%	0.744	76%	0.755	S	S	*	*			cis	-160.7	153.5	-37.4	0	0	0	0	0	109.2
63	N	39.3	Very low	41.6	Very low	153 Å²	153	129 Å²	129	82%	0.818	76%	0.756	S	S	*	*			trans	-94.2	-165.1	167	-129.5	-2.5	0	0	0	108.2
64	P	49.2	Very low	41.3	Very low	98 Å²	98	129.1 Å²	129.1	64%	0.636	76%	0.755	S	S	*	*			cis	-144.9	174.2	14.6	42.6	-22.7	0	0	0	118.3
65	H	41.7	Very low	41.4	Very low	169 Å²	169	127.7 Å²	127.7	78%	0.782	75%	0.754	S	S	*	*			trans	-163	-175.3	133.8	-130.8	-95	0	0	0	112.6
66	M	38.8	Very low	41	Very low	130 Å²	130	130 Å²	130	64%	0.64	76%	0.76	S	S	*	*				174.9	126.6	-95.8	-84.5	-98.7	79.2	0	0	112.2
67	V	42.9	Very low	41.6	Very low	133 Å²	133	130.2 Å²	130.2	81%	0.806	76%	0.759	S	S	*	*			trans	83.3	143.4	147.8	-174.9	0	0	0	0	121.5
68	N	37.8	Very low	41.7	Very low	143 Å²	143	130.9 Å²	130.9	77%	0.765	76%	0.758	S	S	*	*			trans	-104	-155.2	-170.1	-159	13.9	0	0	0	109.6
69	P	54.5	Low	41.7	Very low	85 Å²	85	127 Å²	127	55%	0.552	76%	0.755	S	S	*	*			cis	-127	-175.2	-37.5	18.9	6.5	0	0	0	115.3
70	N	40.9	Very low	41.5	Very low	157 Å²	157	125.1 Å²	125.1	84%	0.84	76%	0.758	S	S	*	*			trans	123.1	132.3	145.2	-61.1	-39.1	0	0	0	117.7
71	G	37.9	Very low	41.7	Very low	74 Å²	74	123.2 Å²	123.2	76%	0.763	77%	0.765	S	S	*	*			trans	-104.6	-142.6	170.1	0	0	0	0	0	112
72	P	52.9	Low	41.6	Very low	100 Å²	100	119 Å²	119	65%	0.649	76%	0.761	S	S	*	*			cis	-133.1	-140.3	-11.9	43.4	-24.7	0	0	0	113.2
73	Y	41	Very low	41.4	Very low	196 Å²	196	119 Å²	119	77%	0.769	77%	0.77	S	S	*	*			trans	103.7	100.6	168.6	-56.1	-61.7	0	0	0	118.2
74	T	38.3	Very low	41.3	Very low	120 Å²	120	115.6 Å²	115.6	74%	0.736	77%	0.771	S	S	*	*				65.3	134	103.3	65	0	0	0	0	116.1
75	T	40.5	Very low	40.7	Very low	136 Å²	136	117.3 Å²	117.3	83%	0.834	78%	0.78	S	S	*	*			cis	-161.5	159.2	49.4	41.7	0	0	0	0	114.3
76	N	33.1	Very low	40.6	Very low	153 Å²	153	117.2 Å²	117.2	82%	0.818	78%	0.783	S	S	*	*			trans	-89.1	-171.2	164.1	-131	-1.2	0	0	0	109.8
77	P	48	Very low	40.5	Very low	108 Å²	108	121.4 Å²	121.4	70%	0.701	79%	0.792	S	S	*	*			cis	-149.2	-167.6	25.8	44.1	-21.9	0	0	0	118.1
78	T	42.1	Very low	40.4	Very low	131 Å²	131	120.3 Å²	120.3	80%	0.804	79%	0.79	S	S	*	*			trans	123.3	131.3	148.4	-43.6	0	0	0	0	112.7
79	G	38.7	Very low	40.7	Very low	75 Å²	75	122.4 Å²	122.4	77%	0.773	79%	0.793	S	S	*	*			cis	136.8	106.4	-4.5	0	0	0	0	0	112.9
80	G	39.2	Very low	40.4	Very low	82 Å²	82	124.5 Å²	124.5	85%	0.845	81%	0.806	S	S	*	*			trans	141.4	120.7	162.2	0	0	0	0	0	118.7
81	G	40.5	Very low	40.9	Very low	88 Å²	88	128 Å²	128	91%	0.907	81%	0.808	S	S	*	*			trans	76.6	144.4	158.3	0	0	0	0	0	117.8
82	G	37.7	Very low	40.9	Very low	78 Å²	78	130.5 Å²	130.5	80%	0.804	81%	0.81	S	S	*	*			cis	155.8	95.1	-3.2	0	0	0	0	0	112.8
83	G	35.1	Very low	40.3	Very low	90 Å²	90	133.6 Å²	133.6	93%	0.928	82%	0.82	S	S	*	*			trans	22.9	129.6	164.1	0	0	0	0	0	123
84	G	37.5	Very low	39.9	Very low	81 Å²	81	132.5 Å²	132.5	84%	0.835	82%	0.823	S	S	*	*			trans	179.3	73.1	168.9	0	0	0	0	0	115.9
85	T	35	Very low	39.7	Very low	135 Å²	135	134.6 Å²	134.6	83%	0.828	83%	0.828	S	S	*	*			trans	-72.7	123.4	-178.2	-54.9	0	0	0	0	113.9
86	I	41.2	Very low	39.5	Very low	166 Å²	166	133.2 Å²	133.2	85%	0.851	82%	0.824	S	S	*	*			trans	-136.6	132.3	144.8	-64	-171.1	0	0	0	109.9
87	R	35	Very low	39.4	Very low	219 Å²	219	133.7 Å²	133.7	83%	0.826	83%	0.825	S	S	*	*			trans	-105.4	117.3	-172.9	-178.2	-169.5	-168.9	-162.4	10.2	110.3
88	S	42.5	Very low	38.7	Very low	110 Å²	110	134.1 Å²	134.1	77%	0.769	83%	0.831	S	S	*	*			trans	-117.5	123.8	171.3	50.8	0	0	0	0	111.4
89	K	42.6	Very low	38.3	Very low	186 Å²	186	132.4 Å²	132.4	81%	0.809	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-72.4	137.1	173.8	-85.7	174.8	169.8	175.2	0	110.1
90	P	48.7	Very low	38.2	Very low	130 Å²	130	138 Å²	138	84%	0.844	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-72	141.3	167.9	28	-28.8	0	0	0	110.7
91	R	52	Low	37.9	Very low	231 Å²	231	139.8 Å²	139.8	87%	0.872	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-82.6	158.9	172	-73.2	-173.3	-175	-146	2.1	110.8
92	P	37	Very low	37.7	Very low	125 Å²	125	144.3 Å²	144.3	81%	0.812	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-63.4	141.5	166.4	-12.5	27.9	0	0	0	110.2	E94	P92-E94 PolarHBondContact O-N 3.39Å
93	L	40.2	Very low	37.4	Very low	165 Å²	165	144 Å²	144	86%	0.864	83%	0.826	S	S	*	*			trans	-84.5	109.8	172.3	-77.7	167.4	0	0	0	109.9	L95	L93-L95 PolarHBondContact O-N 3.24Å
94	E	33.6	Very low	37.5	Very low	174 Å²	174	146.3 Å²	146.3	81%	0.813	82%	0.822	S	S	*	*			trans	-68	117.4	160	-70.1	-101.8	108.3	0	0	108.5	P92	P92-E94 PolarHBondContact O-N 3.39Å
95	L	33.5	Very low	37.4	Very low	163 Å²	163	153.7 Å²	153.7	85%	0.853	82%	0.824	S	S	*	*			trans	-97.7	86.9	168.8	-73.1	178	0	0	0	109.4	L93 I97	L93-L95 PolarHBondContact O-N 3.24Å; L95-I97 PolarHBondContact O-N 3.47Å
96	S	35.5	Very low	37	Very low	108 Å²	108	153.3 Å²	153.3	76%	0.755	83%	0.826	S	S	*	*			trans	-60.3	130	168.9	-65.7	0	0	0	0	110.8	S98	S96-S98 PolarHBondContact O-N 3.18Å
97	I	31.5	Very low	37	Very low	162 Å²	162	151.6 Å²	151.6	83%	0.831	83%	0.825	S	S	*	*			trans	-70.7	124.2	172.7	-62.1	163.9	0	0	0	108.3	L95	L95-I97 PolarHBondContact O-N 3.47Å
98	S	34.4	Very low	36.8	Very low	118 Å²	118	148.2 Å²	148.2	83%	0.825	82%	0.824	S	S	*	*			trans	-137.2	111.3	164.7	-171.4	0	0	0	0	109.9	S96	S96-S98 PolarHBondContact O-N 3.18Å
99	S	33.2	Very low	36.6	Very low	94 Å²	94	154.7 Å²	154.7	66%	0.657	83%	0.831	S	S	*	*			trans	-77.3	133.3	-179.9	-49.2	0	0	0	0	111.1
100	Q	36.8	Very low	36.2	Very low	194 Å²	194	149 Å²	149	91%	0.907	83%	0.825	S	S	*	*			trans	-171.1	148.9	130.3	-105.6	165.8	58.3	0	0	112.9
101	P	31.9	Very low	35.8	Very low	118 Å²	118	149.6 Å²	149.6	77%	0.766	83%	0.827	S	S	*	*			trans	-115.6	129.9	-169.7	37.2	-23.5	0	0	0	114.1
102	L	38	Very low	34.9	Very low	184 Å²	184	144.2 Å²	144.2	96%	0.963	82%	0.821	S	S	*	*			trans	-142.4	130	158.8	-78.2	176.6	0	0	0	109.1
103	G	30.8	Very low	34.7	Very low	72 Å²	72	148.8 Å²	148.8	74%	0.742	83%	0.829	S	S	*	*			trans	-99.5	171.6	177.3	0	0	0	0	0	112.7
104	V	37.5	Very low	34.2	Very low	137 Å²	137	144.9 Å²	144.9	83%	0.83	83%	0.829	S	S	*	*			trans	-178.7	125.7	138.6	145.4	0	0	0	0	110.1
105	R	34.1	Very low	34	Very low	237 Å²	237	140.4 Å²	140.4	89%	0.894	83%	0.829	S	S	*	*			trans	33.5	121.7	156.1	-63.3	-174.5	169.8	-159.2	-3.2	121.5
106	C	27.5	Very low	33.9	Very low	126 Å²	126	136.7 Å²	136.7	85%	0.851	82%	0.822	S	S	*	*			trans	-81.1	160.9	155.3	-46.1	0	0	0	0	112.3
107	P	40.8	Very low	34.2	Very low	130 Å²	130	139 Å²	139	84%	0.844	82%	0.822	S	S	*	*			trans	-112.3	153.8	143.8	33.9	-24.9	0	0	0	112.3
108	D	31.5	Very low	34.2	Very low	148 Å²	148	139.4 Å²	139.4	79%	0.791	82%	0.821	S	S	*	*			trans	-88.4	136.9	-171.1	162.8	42.6	0	0	0	113.7
109	R	38.1	Very low	34.2	Very low	246 Å²	246	138 Å²	138	93%	0.928	81%	0.81	S	S	*	*			trans	-171.1	106.6	136.3	-108.5	174.5	-174.4	-172.3	2	114.3
110	G	32.8	Very low	34.6	Very low	67 Å²	67	138.8 Å²	138.8	69%	0.691	81%	0.813	S	S	*	*			trans	46.1	116.2	138.1	0	0	0	0	0	122.3
111	V	42.2	Very low	35.1	Very low	143 Å²	143	135.7 Å²	135.7	87%	0.867	80%	0.803	S	S	*	*				165.8	132.8	111.9	164.8	0	0	0	0	107.2
112	P	31.9	Very low	36.3	Very low	117 Å²	117	138 Å²	138	76%	0.76	80%	0.803	S	S	*	*			trans	-94	134.9	-155.4	34.6	-34.8	0	0	0	115.5
113	F	33	Very low	37.7	Very low	222 Å²	222	136.3 Å²	136.3	97%	0.974	79%	0.79	S	S	*	*			trans	-120.4	82.8	157.9	-116.4	-93.6	0	0	0	108.4
114	G	28.8	Very low	40.2	Very low	83 Å²	83	133.5 Å²	133.5	86%	0.856	76%	0.758	S	S	*	*			trans	-102.5	105.4	-171.3	0	0	0	0	0	113
115	G	29.5	Very low	42.6	Very low	80 Å²	80	129.3 Å²	129.3	83%	0.825	73%	0.734	S	S	*	*			trans	-151	13	176.8	0	0	0	0	0	114.6
116	A	33.2	Very low	45.2	Very low	84 Å²	84	121.8 Å²	121.8	69%	0.694	71%	0.711	S	S	*	*			trans	-86.4	116.1	175.9	0	0	0	0	0	110	Q118	A116-Q118 PolarHBondContact O-N 2.87Å
117	M	40.8	Very low	48.3	Very low	156 Å²	156	124 Å²	124	77%	0.768	70%	0.702	S	S	*	*			trans	-69.7	94	178.7	-173.6	-178.5	-176.2	0	0	110.3
118	Q	32.4	Very low	50.8	Low	171 Å²	171	120.8 Å²	120.8	80%	0.799	68%	0.676	S	S	*	*			trans	-106.2	103.8	-175.5	-147	154.3	13.9	0	0	109.7	A116 P120	A116-Q118 PolarHBondContact O-N 2.87Å; Q118-P120 VanDerWaalsContact O-CD 3.28Å; Q118-P120 WeakPolarHBondContact O-CD 3.45Å
119	C	33.6	Very low	53.7	Low	88 Å²	88	113.8 Å²	113.8	60%	0.595	64%	0.638	S	S	*	*			trans	-79.9	114.9	172.3	-63.8	0	0	0	0	109.7	N121	C119-N121 PolarHBondContact O-N 3.18Å
120	P	41.7	Very low	56.4	Low	112 Å²	112	104 Å²	104	73%	0.727	61%	0.605	S	S	*	*			trans	-69	124.8	168.5	28.1	-30.7	0	0	0	108.8	Q118 E122	Q118-P120 VanDerWaalsContact O-CD 3.28Å; Q118-P120 WeakPolarHBondContact O-CD 3.45Å; P120-E122 PolarHBondContact O-N 3.23Å
121	N	47.8	Very low	59.3	Low	129 Å²	129	106 Å²	106	69%	0.69	60%	0.599	S	S	*	*			trans	-80.4	52.2	175.6	-90.3	-81.4	0	0	0	111.3	C119 K162	C119-N121 PolarHBondContact O-N 3.18Å; N121-K162 PolarHBondContact OD1-NZ 2.97Å; N121-K162 VanDerWaalsContact OD1-NZ 3.13Å
122	E	57	Low	61.9	Low	166 Å²	166	99.6 Å²	99.6	78%	0.776	56%	0.56	S	S	*	*			trans	-88.1	141.6	165.4	-74.1	-159.9	136.8	0	0	110.8	P120 M124	P120-E122 PolarHBondContact O-N 3.23Å; E122-M124 PolarHBondContact O-N 3.38Å; E122-M124 VanDerWaalsContact O-N 3.1Å
123	E	67.3	Low	64.9	Low	148 Å²	148	94.1 Å²	94.1	69%	0.692	52%	0.524	S	S	*	.			trans	-76.3	100.8	179.7	-63.7	-167.5	143.7	0	0	110.1	F163	E123-F163 HydrophobicContact CB-CZ 4.42Å; E123-F163 HydrophobicContact CG-CZ 4.34Å
124	M	82.3	Confident	67.8	Low	13 Å²	13	86.7 Å²	86.7	6%	0.064	49%	0.493	C	S	.	.			trans	-51.6	122.6	171.8	-171.8	85.6	135.8	0	0	111	E122 E128 I129 L132 R155 H159	E122-M124 PolarHBondContact O-N 3.38Å; E122-M124 VanDerWaalsContact O-N 3.1Å; M124-E128 HydrophobicContact CE-CB 3.91Å; M124-E128 HydrophobicContact CE-CG 3.46Å; M124-E128 VanDerWaalsContact CE-CG 3.46Å; M124-E128 VanDerWaalsContact CE-OE1 3.25Å; M124-E128 WeakPolarHBondContact CE-OE1 3.38Å; M124-E128 HydrophobicContact CG-CB 3.99Å; M124-E128 HydrophobicContact CG-CG 4.49Å; M124-E128 HydrophobicContact SD-CB 3.79Å; M124-E128 HydrophobicContact SD-CG 3.67Å; M124-I129 HydrophobicContact CB-CD1 4.36Å; M124-I129 HydrophobicContact CB-CG1 3.99Å; M124-I129 HydrophobicContact CG-CD1 4.39Å; M124-I129 HydrophobicContact CG-CG1 3.51Å; M124-L132 HydrophobicContact CE-CD2 4.19Å; M124-R155 VanDerWaalsContact CE-NH2 3.25Å; M124-R155 PolarHBondContact SD-NH2 3.15Å; M124-H159 WeakPolarHBondContact CB-CE1 3.47Å
125	P	87.8	Confident	70.9	Confident	50 Å²	50	86.4 Å²	86.4	33%	0.325	47%	0.469	S	S	.	.			trans	-67.1	148.1	177	28.8	-34.5	0	0	0	110.4	Y127 E128 I129	P125-Y127 HydrophobicContact CB-CD1 3.79Å; P125-Y127 HydrophobicContact CB-CE1 3.43Å; P125-Y127 VanDerWaalsContact CB-CE1 3.43Å; P125-Y127 HydrophobicContact CG-CD1 4.05Å; P125-Y127 HydrophobicContact CG-CE1 3.39Å; P125-Y127 HydrophobicContact CG-CE2 4.1Å; P125-Y127 WeakPolarHBondContact CG-OH 3.36Å; P125-Y127 PolarHBondContact O-N 2.88Å; P125-E128 HydrophobicContact CG-CB 4.23Å; P125-E128 PolarHBondContact O-N 3.04Å; P125-I129 PolarHBondContact O-N 2.97Å
126	I	89.2	Confident	74	Confident	79 Å²	79	82.6 Å²	82.6	41%	0.405	43%	0.43	S	S	.	.	H	α-helix	trans	-55.2	-35.2	-170.8	-60.5	174.4	0	0	0	112.4	E128 I129 L130 Y171	I126-E128 VanDerWaalsContact C-N 3.32Å; I126-E128 PolarHBondContact O-N 3.06Å; I126-I129 WeakPolarHBondContact O-CB 3.48Å; I126-I129 PolarHBondContact O-N 2.98Å; I126-L130 HydrophobicContact CG2-CD1 4.09Å; I126-L130 HydrophobicContact CG2-CG 4.32Å; I126-L130 WeakPolarHBondContact O-CG 3.15Å; I126-L130 PolarHBondContact O-N 3.31Å; I126-Y171 HydrophobicContact CG2-CD2 4.13Å; I126-Y171 HydrophobicContact CG2-CE2 3.64Å
127	Y	91.9	Very high	76.9	Confident	171 Å²	171	78.8 Å²	78.8	67%	0.671	40%	0.398	S	S	*	.	H	α-helix	trans	-63.3	-34.6	177.7	70.1	-101.3	0	0	0	113	P125 L130 N131	P125-Y127 HydrophobicContact CB-CD1 3.79Å; P125-Y127 HydrophobicContact CB-CE1 3.43Å; P125-Y127 VanDerWaalsContact CB-CE1 3.43Å; P125-Y127 HydrophobicContact CG-CD1 4.05Å; P125-Y127 HydrophobicContact CG-CE1 3.39Å; P125-Y127 HydrophobicContact CG-CE2 4.1Å; P125-Y127 WeakPolarHBondContact CG-OH 3.36Å; P125-Y127 PolarHBondContact O-N 2.88Å; Y127-L130 PolarHBondContact O-N 3.45Å; Y127-N131 WeakPolarHBondContact O-CB 3.4Å; Y127-N131 PolarHBondContact O-N 3.39Å
128	E	93.6	Very high	79.5	Confident	63 Å²	63	79.1 Å²	79.1	29%	0.294	39%	0.391	S	S	.	.	H	α-helix	trans	-77.8	-31.8	178.5	-160.3	-175.2	145.1	0	0	110.4	M124 P125 I126 N131 L132 R155	M124-E128 HydrophobicContact CE-CB 3.91Å; M124-E128 HydrophobicContact CE-CG 3.46Å; M124-E128 VanDerWaalsContact CE-CG 3.46Å; M124-E128 VanDerWaalsContact CE-OE1 3.25Å; M124-E128 WeakPolarHBondContact CE-OE1 3.38Å; M124-E128 HydrophobicContact CG-CB 3.99Å; M124-E128 HydrophobicContact CG-CG 4.49Å; M124-E128 HydrophobicContact SD-CB 3.79Å; M124-E128 HydrophobicContact SD-CG 3.67Å; P125-E128 HydrophobicContact CG-CB 4.23Å; P125-E128 PolarHBondContact O-N 3.04Å; I126-E128 VanDerWaalsContact C-N 3.32Å; I126-E128 PolarHBondContact O-N 3.06Å; E128-N131 PolarHBondContact O-N 3.15Å; E128-L132 VanDerWaalsContact O-CB 3.29Å; E128-L132 WeakPolarHBondContact O-CB 3.4Å; E128-L132 PolarHBondContact O-N 3.27Å; E128-R155 IonicContact OE1-CZ 3.62Å; E128-R155 IonicContact OE1-NH1 3.54Å; E128-R155 IonicContact OE1-NH2 3.38Å; E128-R155 PolarHBondContact OE1-NH2 2.92Å
129	I	93.6	Very high	82.4	Confident	1 Å²	1	71.9 Å²	71.9	1%	0.005	36%	0.36	C	S	.	.	H	α-helix	trans	-61.1	-46.5	168.7	-56.4	174.7	0	0	0	110.4	M124 P125 I126 L132 M133 L156 H159 F163 M167	M124-I129 HydrophobicContact CB-CD1 4.36Å; M124-I129 HydrophobicContact CB-CG1 3.99Å; M124-I129 HydrophobicContact CG-CD1 4.39Å; M124-I129 HydrophobicContact CG-CG1 3.51Å; P125-I129 PolarHBondContact O-N 2.97Å; I126-I129 WeakPolarHBondContact O-CB 3.48Å; I126-I129 PolarHBondContact O-N 2.98Å; I129-L132 WeakPolarHBondContact O-CB 3.41Å; I129-L132 PolarHBondContact O-N 2.96Å; I129-M133 HydrophobicContact CG2-CE 4.08Å; I129-M133 WeakPolarHBondContact O-CG 3.17Å; I129-M133 PolarHBondContact O-N 3.46Å; I129-L156 HydrophobicContact CG2-CD1 3.9Å; I129-H159 HydrophobicContact CD1-CB 4.01Å; I129-H159 HydrophobicContact CG1-CB 4.27Å; I129-F163 HydrophobicContact CD1-CD2 4.02Å; I129-M167 HydrophobicContact CG2-CE 4.12Å; I129-M167 HydrophobicContact CG2-SD 3.86Å
130	L	93.9	Very high	85.2	Confident	42 Å²	42	67.7 Å²	67.7	22%	0.22	33%	0.331	C	S	.	.	H	α-helix	trans	-64.7	-40.9	178.1	-68.9	169.9	0	0	0	112.1	I126 Y127 L132 M133 E134 M167 Y171 D174	I126-L130 HydrophobicContact CG2-CD1 4.09Å; I126-L130 HydrophobicContact CG2-CG 4.32Å; I126-L130 WeakPolarHBondContact O-CG 3.15Å; I126-L130 PolarHBondContact O-N 3.31Å; Y127-L130 PolarHBondContact O-N 3.45Å; L130-L132 VanDerWaalsContact C-N 3.32Å; L130-L132 PolarHBondContact O-N 3.32Å; L130-M133 HydrophobicContact CD2-SD 4.14Å; L130-M133 WeakPolarHBondContact O-CB 3.25Å; L130-M133 PolarHBondContact O-N 3.21Å; L130-E134 PolarHBondContact O-N 3.43Å; L130-M167 HydrophobicContact CD2-CE 3.72Å; L130-M167 HydrophobicContact CG-CE 4.27Å; L130-Y171 HydrophobicContact CD1-CD1 3.84Å; L130-Y171 HydrophobicContact CD1-CE1 3.71Å; L130-Y171 HydrophobicContact CD1-CG 4.38Å; L130-Y171 HydrophobicContact CD2-CD1 4.14Å; L130-Y171 HydrophobicContact CD2-CG 4.19Å; L130-D174 HydrophobicContact CD2-CB 4.04Å
131	N	94.6	Very high	87.5	Confident	109 Å²	109	70.4 Å²	70.4	58%	0.583	33%	0.327	S	S	*	.	H	α-helix	trans	-62.5	-39.4	173.9	-172.4	47.2	0	0	0	112	Y127 E128 E134 Q135	Y127-N131 WeakPolarHBondContact O-CB 3.4Å; Y127-N131 PolarHBondContact O-N 3.39Å; E128-N131 PolarHBondContact O-N 3.15Å; N131-E134 PolarHBondContact O-N 3.03Å; N131-Q135 PolarHBondContact O-N 3.22Å
132	L	95.1	Very high	89.6	Confident	7 Å²	7	66.9 Å²	66.9	4%	0.037	32%	0.316	C	S	.	.	H	α-helix	trans	-64.9	-40.8	175.2	-176.2	62.5	0	0	0	112.1	M124 E128 I129 L130 Q135 I136 Q152 R155 L156	M124-L132 HydrophobicContact CE-CD2 4.19Å; E128-L132 VanDerWaalsContact O-CB 3.29Å; E128-L132 WeakPolarHBondContact O-CB 3.4Å; E128-L132 PolarHBondContact O-N 3.27Å; I129-L132 WeakPolarHBondContact O-CB 3.41Å; I129-L132 PolarHBondContact O-N 2.96Å; L130-L132 VanDerWaalsContact C-N 3.32Å; L130-L132 PolarHBondContact O-N 3.32Å; L132-Q135 PolarHBondContact O-N 3.25Å; L132-I136 HydrophobicContact CD1-CD1 4.3Å; L132-I136 HydrophobicContact CG-CD1 4.11Å; L132-I136 WeakPolarHBondContact O-CD1 3.32Å; L132-I136 WeakPolarHBondContact O-CG1 3.43Å; L132-I136 PolarHBondContact O-N 2.91Å; L132-Q152 HydrophobicContact CD1-CB 3.83Å; L132-Q152 HydrophobicContact CD1-CG 4.23Å; L132-Q152 VanDerWaalsContact CD1-OE1 3.26Å; L132-R155 HydrophobicContact CD2-CB 4.28Å; L132-R155 HydrophobicContact CD2-CG 4.16Å; L132-L156 HydrophobicContact CD2-CB 3.83Å; L132-L156 HydrophobicContact CD2-CD1 4.34Å; L132-L156 HydrophobicContact CG-CB 4.23Å
133	M	95	Very high	91.1	Very high	2 Å²	2	62.4 Å²	62.4	1%	0.01	30%	0.298	C	S	.	.	H	α-helix	trans	-58.8	-46.6	172.4	-69.8	179.5	176.2	0	0	111.8	I129 L130 I136 N137 L156 L160 M167 D174 L175 V178	I129-M133 HydrophobicContact CG2-CE 4.08Å; I129-M133 WeakPolarHBondContact O-CG 3.17Å; I129-M133 PolarHBondContact O-N 3.46Å; L130-M133 HydrophobicContact CD2-SD 4.14Å; L130-M133 WeakPolarHBondContact O-CB 3.25Å; L130-M133 PolarHBondContact O-N 3.21Å; M133-I136 PolarHBondContact O-N 2.74Å; M133-N137 PolarHBondContact O-N 3.28Å; M133-N137 PolarHBondContact O-ND2 2.96Å; M133-L156 HydrophobicContact CE-CD1 4.14Å; M133-L156 HydrophobicContact CG-CD1 3.76Å; M133-L156 HydrophobicContact CG-CD2 4.08Å; M133-L160 HydrophobicContact CE-CD1 4.13Å; M133-L160 HydrophobicContact CE-CD2 3.57Å; M133-L160 HydrophobicContact CE-CG 4.21Å; M133-M167 HydrophobicContact CE-CE 3.48Å; M133-M167 VanDerWaalsContact CE-CE 3.48Å; M133-M167 HydrophobicContact CE-SD 3.95Å; M133-M167 HydrophobicContact SD-CE 4.16Å; M133-D174 HydrophobicContact SD-CB 4.47Å; M133-L175 HydrophobicContact CE-CD2 3.69Å; M133-L175 HydrophobicContact CE-CG 4.41Å; M133-V178 HydrophobicContact CB-CB 4.17Å; M133-V178 HydrophobicContact CB-CG2 4.04Å; M133-V178 HydrophobicContact CE-CG1 4.16Å; M133-V178 HydrophobicContact CG-CB 4.18Å; M133-V178 HydrophobicContact CG-CG1 4.08Å; M133-V178 HydrophobicContact CG-CG2 4.09Å; M133-V178 HydrophobicContact SD-CB 4.44Å; M133-V178 HydrophobicContact SD-CG1 3.97Å
134	E	94.7	Very high	92.1	Very high	66 Å²	66	61.7 Å²	61.7	31%	0.308	29%	0.294	S	S	.	.	H	α-helix	trans	-68	-36.8	-179.2	177.9	58	-172.7	0	0	112.3	L130 N131 N137 R138	L130-E134 PolarHBondContact O-N 3.43Å; N131-E134 PolarHBondContact O-N 3.03Å; E134-N137 PolarHBondContact O-N 3.07Å; E134-R138 WeakPolarHBondContact O-CG 3.44Å; E134-R138 PolarHBondContact O-N 3.32Å; E134-R138 IonicContact OE1-CZ 3.72Å; E134-R138 IonicContact OE1-NE 2.79Å; E134-R138 PolarHBondContact OE1-NE 3.3Å; E134-R138 IonicContact OE1-NH2 2.91Å; E134-R138 PolarHBondContact OE1-NH2 3.14Å
135	Q	94.5	Very high	92.5	Very high	78 Å²	78	62.1 Å²	62.1	36%	0.364	30%	0.296	S	S	.	.	H	α-helix	trans	-60.1	-45.9	171	-174.1	-178.5	69.6	0	0	111.6	N131 L132 R138 A139	N131-Q135 PolarHBondContact O-N 3.22Å; L132-Q135 PolarHBondContact O-N 3.25Å; Q135-R138 PolarHBondContact O-N 3.48Å; Q135-A139 PolarHBondContact O-N 3.36Å
136	I	94.5	Very high	92.6	Very high	0 Å²	0	62 Å²	62	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-64.6	-42.1	177.3	-70.9	162.1	0	0	0	110.8	L132 M133 R138 A139 V140 L149 Q152 I153 L156 V178 L182	L132-I136 HydrophobicContact CD1-CD1 4.3Å; L132-I136 HydrophobicContact CG-CD1 4.11Å; L132-I136 WeakPolarHBondContact O-CD1 3.32Å; L132-I136 WeakPolarHBondContact O-CG1 3.43Å; L132-I136 PolarHBondContact O-N 2.91Å; M133-I136 PolarHBondContact O-N 2.74Å; I136-R138 VanDerWaalsContact C-N 3.31Å; I136-R138 PolarHBondContact O-N 3.09Å; I136-A139 PolarHBondContact O-N 2.87Å; I136-V140 HydrophobicContact CG2-CG2 4.18Å; I136-V140 WeakPolarHBondContact O-CB 3.08Å; I136-V140 VanDerWaalsContact O-CG2 3.28Å; I136-V140 WeakPolarHBondContact O-CG2 3.36Å; I136-V140 PolarHBondContact O-N 2.67Å; I136-L149 HydrophobicContact CB-CD1 4.45Å; I136-L149 HydrophobicContact CG1-CD1 4Å; I136-L149 HydrophobicContact CG2-CD1 4.48Å; I136-Q152 HydrophobicContact CD1-CB 4.38Å; I136-Q152 HydrophobicContact CG1-CB 4.31Å; I136-I153 HydrophobicContact CD1-CG1 4.03Å; I136-I153 HydrophobicContact CG1-CG1 4.14Å; I136-I153 HydrophobicContact CG2-CG1 4.06Å; I136-L156 HydrophobicContact CD1-CB 3.82Å; I136-L156 HydrophobicContact CD1-CD2 3.58Å; I136-L156 HydrophobicContact CD1-CG 4.29Å; I136-V178 HydrophobicContact CG2-CG2 4.45Å; I136-L182 HydrophobicContact CG2-CD2 4.48Å
137	N	94.4	Very high	92.5	Very high	4 Å²	4	62 Å²	62	2%	0.021	31%	0.307	C	S	.	.	H	α-helix	trans	-57.4	-43.4	175.3	-70.9	-30.4	0	0	0	111.8	M133 E134 R141 H177 V178 S181	M133-N137 PolarHBondContact O-N 3.28Å; M133-N137 PolarHBondContact O-ND2 2.96Å; E134-N137 PolarHBondContact O-N 3.07Å; N137-R141 VanDerWaalsContact O-CB 3.28Å; N137-R141 WeakPolarHBondContact O-CB 3.35Å; N137-R141 WeakPolarHBondContact O-CG 3.47Å; N137-R141 PolarHBondContact O-N 3.37Å; N137-H177 PolarHBondContact ND2-ND1 3.2Å; N137-V178 WeakPolarHBondContact OD1-CA 3.47Å; N137-S181 VanDerWaalsContact OD1-CB 3.27Å; N137-S181 WeakPolarHBondContact OD1-CB 3.49Å; N137-S181 PolarHBondContact OD1-OG 3.24Å
138	R	94.2	Very high	92.5	Very high	163 Å²	163	60.4 Å²	60.4	62%	0.615	30%	0.301	S	S	*	.	H	α-helix	trans	-65.8	-50.8	178	-71.1	174.8	-171.9	-142	-0.6	112.1	E134 Q135 I136 V140 R141 A142	E134-R138 WeakPolarHBondContact O-CG 3.44Å; E134-R138 PolarHBondContact O-N 3.32Å; E134-R138 IonicContact OE1-CZ 3.72Å; E134-R138 IonicContact OE1-NE 2.79Å; E134-R138 PolarHBondContact OE1-NE 3.3Å; E134-R138 IonicContact OE1-NH2 2.91Å; E134-R138 PolarHBondContact OE1-NH2 3.14Å; Q135-R138 PolarHBondContact O-N 3.48Å; I136-R138 VanDerWaalsContact C-N 3.31Å; I136-R138 PolarHBondContact O-N 3.09Å; R138-V140 PolarHBondContact O-N 2.68Å; R138-R141 PolarHBondContact O-N 3.36Å; R138-A142 WeakPolarHBondContact O-CB 3.27Å; R138-A142 PolarHBondContact O-N 2.96Å
139	A	92.7	Very high	92.5	Very high	18 Å²	18	57.7 Å²	57.7	15%	0.149	29%	0.289	C	S	.	.	H	α-helix	trans	-61.7	-43.1	-178.9	0	0	0	0	0	112.4	Q135 I136 A142 N143 E144 L149	Q135-A139 PolarHBondContact O-N 3.36Å; I136-A139 PolarHBondContact O-N 2.87Å; A139-A142 PolarHBondContact O-N 2.83Å; A139-N143 PolarHBondContact O-N 3.39Å; A139-E144 PolarHBondContact O-N 2.88Å; A139-L149 HydrophobicContact CB-CD1 3.75Å; A139-L149 HydrophobicContact CB-CD2 3.93Å; A139-L149 HydrophobicContact CB-CG 4.39Å
140	V	92.5	Very high	92.5	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-66.9	-39.2	176.7	175.1	0	0	0	0	111.7	I136 R138 A142 N143 F145 L149 S181 Q184 A185	I136-V140 HydrophobicContact CG2-CG2 4.18Å; I136-V140 WeakPolarHBondContact O-CB 3.08Å; I136-V140 VanDerWaalsContact O-CG2 3.28Å; I136-V140 WeakPolarHBondContact O-CG2 3.36Å; I136-V140 PolarHBondContact O-N 2.67Å; R138-V140 PolarHBondContact O-N 2.68Å; V140-A142 VanDerWaalsContact C-N 3.3Å; V140-A142 PolarHBondContact O-N 2.82Å; V140-N143 PolarHBondContact O-N 2.85Å; V140-N143 VanDerWaalsContact O-N 3.13Å; V140-F145 HydrophobicContact CG2-CE1 4.48Å; V140-L149 HydrophobicContact CG2-CD2 4.2Å; V140-S181 WeakPolarHBondContact CG1-O 3.2Å; V140-Q184 HydrophobicContact CG1-CB 4.12Å; V140-A185 HydrophobicContact CG1-CB 4.16Å; V140-A185 HydrophobicContact CG2-CB 3.89Å
141	R	91.1	Very high	92.4	Very high	169 Å²	169	59.4 Å²	59.4	64%	0.638	30%	0.302	S	S	*	.	H	α-helix	trans	-66.2	-31.5	175	-77.9	177.7	61.2	-163.4	-4.7	113	N137 R138 N143	N137-R141 VanDerWaalsContact O-CB 3.28Å; N137-R141 WeakPolarHBondContact O-CB 3.35Å; N137-R141 WeakPolarHBondContact O-CG 3.47Å; N137-R141 PolarHBondContact O-N 3.37Å; R138-R141 PolarHBondContact O-N 3.36Å; R141-N143 VanDerWaalsContact C-N 3.26Å
142	A	91.4	Very high	92.3	Very high	56 Å²	56	55.2 Å²	55.2	46%	0.463	28%	0.279	S	S	.	.	H	α-helix	trans	-76.4	-9.8	173.3	0	0	0	0	0	113.6	R138 A139 V140 E144	R138-A142 WeakPolarHBondContact O-CB 3.27Å; R138-A142 PolarHBondContact O-N 2.96Å; A139-A142 PolarHBondContact O-N 2.83Å; V140-A142 VanDerWaalsContact C-N 3.3Å; V140-A142 PolarHBondContact O-N 2.82Å; A142-E144 HydrophobicContact CB-CB 4.42Å; A142-E144 HydrophobicContact CB-CG 3.83Å; A142-E144 PolarHBondContact O-N 3.08Å
143	N	88.1	Confident	92.3	Very high	72 Å²	72	55 Å²	55	39%	0.385	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.7	27.2	-167.8	-55.1	-48.7	0	0	0	114	A139 V140 R141 F145 R188	A139-N143 PolarHBondContact O-N 3.39Å; V140-N143 PolarHBondContact O-N 2.85Å; V140-N143 VanDerWaalsContact O-N 3.13Å; R141-N143 VanDerWaalsContact C-N 3.26Å; N143-F145 VanDerWaalsContact C-N 3.33Å; N143-F145 HydrophobicContact CB-CE2 3.97Å; N143-F145 WeakPolarHBondContact O-CD2 3.39Å; N143-F145 PolarHBondContact O-N 2.85Å; N143-R188 PolarHBondContact OD1-NE 3.25Å; N143-R188 PolarHBondContact OD1-NH1 3.47Å
144	E	89	Confident	92.2	Very high	133 Å²	133	56.9 Å²	56.9	62%	0.621	29%	0.287	S	S	*	.			trans	-84.9	71.7	-179.6	-70.5	-178.8	174.5	0	0	111.4	A139 A142 S146 L149	A139-E144 PolarHBondContact O-N 2.88Å; A142-E144 HydrophobicContact CB-CB 4.42Å; A142-E144 HydrophobicContact CB-CG 3.83Å; A142-E144 PolarHBondContact O-N 3.08Å; E144-S146 PolarHBondContact O-N 3.23Å; E144-L149 WeakPolarHBondContact O-CD2 3.36Å
145	F	90.8	Very high	92.2	Very high	22 Å²	22	58.7 Å²	58.7	10%	0.096	29%	0.291	C	S	.	.			trans	-78.8	114.2	177.8	-56.5	-68.6	0	0	0	111.1	V140 N143 L149 A185 R188 D189 Q192 L193	V140-F145 HydrophobicContact CG2-CE1 4.48Å; N143-F145 VanDerWaalsContact C-N 3.33Å; N143-F145 HydrophobicContact CB-CE2 3.97Å; N143-F145 WeakPolarHBondContact O-CD2 3.39Å; N143-F145 PolarHBondContact O-N 2.85Å; F145-L149 HydrophobicContact CD1-CD2 4.17Å; F145-A185 HydrophobicContact CE1-CB 4.04Å; F145-R188 HydrophobicContact CE2-CB 3.83Å; F145-R188 HydrophobicContact CZ-CB 3.69Å; F145-D189 HydrophobicContact CD1-CB 4.34Å; F145-D189 HydrophobicContact CG-CB 4.49Å; F145-Q192 HydrophobicContact CB-CB 4.02Å; F145-L193 HydrophobicContact CD1-CD1 4.08Å; F145-L193 HydrophobicContact CD1-CD2 4.39Å; F145-L193 HydrophobicContact CD1-CG 4.26Å
146	S	89.2	Confident	92.2	Very high	48 Å²	48	55 Å²	55	34%	0.336	27%	0.274	S	S	.	.			trans	-139.8	160.8	-178.9	63.7	0	0	0	0	111.3	E144 Y148 L149 G150	E144-S146 PolarHBondContact O-N 3.23Å; S146-Y148 PolarHBondContact O-N 3.12Å; S146-L149 WeakPolarHBondContact O-CB 3.45Å; S146-L149 PolarHBondContact O-N 2.82Å; S146-L149 VanDerWaalsContact O-N 3.11Å; S146-L149 PolarHBondContact OG-N 3.41Å; S146-G150 PolarHBondContact O-N 2.95Å
147	A	88.6	Confident	92.1	Very high	77 Å²	77	55 Å²	55	64%	0.636	27%	0.274	S	S	*	.	H	α-helix	trans	-58	-34.6	172.7	0	0	0	0	0	112.1	G150 T151	A147-G150 WeakPolarHBondContact O-CA 3.32Å; A147-G150 PolarHBondContact O-N 3.37Å; A147-T151 PolarHBondContact O-N 3.17Å; A147-T151 PolarHBondContact O-OG1 2.9Å
148	Y	92	Very high	92	Very high	139 Å²	139	58.1 Å²	58.1	55%	0.545	29%	0.293	S	S	.	.	H	α-helix	trans	-61.2	-46.9	173.5	176.8	-97.4	0	0	0	112	S146 G150 T151 Q152	S146-Y148 PolarHBondContact O-N 3.12Å; Y148-G150 VanDerWaalsContact C-N 3.26Å; Y148-G150 PolarHBondContact O-N 3.32Å; Y148-T151 PolarHBondContact O-N 2.89Å; Y148-T151 VanDerWaalsContact O-N 3.16Å; Y148-Q152 HydrophobicContact CD1-CG 4.26Å; Y148-Q152 HydrophobicContact CE1-CG 3.87Å; Y148-Q152 VanDerWaalsContact CE2-NE2 3.28Å; Y148-Q152 WeakPolarHBondContact O-CG 3.16Å; Y148-Q152 PolarHBondContact O-N 3.24Å; Y148-Q152 PolarHBondContact OH-NE2 3.39Å
149	L	93.6	Very high	91.9	Very high	6 Å²	6	51.2 Å²	51.2	3%	0.031	27%	0.268	C	S	.	.	H	α-helix	trans	-60.2	-38.9	173.5	179	60.4	0	0	0	111.1	I136 A139 V140 E144 F145 S146 T151 Q152 I153 L193	I136-L149 HydrophobicContact CB-CD1 4.45Å; I136-L149 HydrophobicContact CG1-CD1 4Å; I136-L149 HydrophobicContact CG2-CD1 4.48Å; A139-L149 HydrophobicContact CB-CD1 3.75Å; A139-L149 HydrophobicContact CB-CD2 3.93Å; A139-L149 HydrophobicContact CB-CG 4.39Å; V140-L149 HydrophobicContact CG2-CD2 4.2Å; E144-L149 WeakPolarHBondContact O-CD2 3.36Å; F145-L149 HydrophobicContact CD1-CD2 4.17Å; S146-L149 WeakPolarHBondContact O-CB 3.45Å; S146-L149 PolarHBondContact O-N 2.82Å; S146-L149 VanDerWaalsContact O-N 3.11Å; S146-L149 PolarHBondContact OG-N 3.41Å; L149-T151 PolarHBondContact O-N 2.94Å; L149-Q152 PolarHBondContact O-N 3.22Å; L149-I153 HydrophobicContact CD1-CD1 4.11Å; L149-I153 HydrophobicContact CD1-CG1 4.19Å; L149-I153 HydrophobicContact CD2-CD1 4.45Å; L149-I153 HydrophobicContact CG-CD1 3.84Å; L149-I153 HydrophobicContact CG-CG1 4.38Å; L149-I153 WeakPolarHBondContact O-CB 3.12Å; L149-I153 VanDerWaalsContact O-CG1 3.3Å; L149-I153 WeakPolarHBondContact O-CG1 3.38Å; L149-I153 PolarHBondContact O-N 3.45Å; L149-L193 HydrophobicContact CB-CD2 4.25Å; L149-L193 HydrophobicContact CD2-CD2 4.23Å; L149-L193 HydrophobicContact CG-CD2 4.14Å
150	G	92	Very high	91.9	Very high	4 Å²	4	50.4 Å²	50.4	4%	0.041	26%	0.261	C	S	.	.	H	α-helix	trans	-55.1	-48.4	172	0	0	0	0	0	112.6	S146 A147 Y148 Q152 I153 L154	S146-G150 PolarHBondContact O-N 2.95Å; A147-G150 WeakPolarHBondContact O-CA 3.32Å; A147-G150 PolarHBondContact O-N 3.37Å; Y148-G150 VanDerWaalsContact C-N 3.26Å; Y148-G150 PolarHBondContact O-N 3.32Å; G150-Q152 PolarHBondContact O-N 3.33Å; G150-I153 PolarHBondContact O-N 2.77Å; G150-L154 WeakPolarHBondContact O-CG 3.46Å; G150-L154 PolarHBondContact O-N 3.38Å
151	T	92.4	Very high	91.8	Very high	75 Å²	75	53.6 Å²	53.6	46%	0.46	28%	0.275	S	S	.	.	H	α-helix	trans	-62.5	-41	175.9	-55.5	0	0	0	0	112.6	A147 Y148 L149 L154 R155	A147-T151 PolarHBondContact O-N 3.17Å; A147-T151 PolarHBondContact O-OG1 2.9Å; Y148-T151 PolarHBondContact O-N 2.89Å; Y148-T151 VanDerWaalsContact O-N 3.16Å; L149-T151 PolarHBondContact O-N 2.94Å; T151-L154 PolarHBondContact O-N 3.27Å; T151-R155 WeakPolarHBondContact O-CB 3.47Å; T151-R155 PolarHBondContact O-N 2.77Å
152	Q	93.2	Very high	91.7	Very high	21 Å²	21	50.9 Å²	50.9	10%	0.098	27%	0.268	C	S	.	.	H	α-helix	trans	-65.2	-41	176.2	-63.5	-46.2	-28.6	0	0	112.2	L132 I136 Y148 L149 G150 R155 L156	L132-Q152 HydrophobicContact CD1-CB 3.83Å; L132-Q152 HydrophobicContact CD1-CG 4.23Å; L132-Q152 VanDerWaalsContact CD1-OE1 3.26Å; I136-Q152 HydrophobicContact CD1-CB 4.38Å; I136-Q152 HydrophobicContact CG1-CB 4.31Å; Y148-Q152 HydrophobicContact CD1-CG 4.26Å; Y148-Q152 HydrophobicContact CE1-CG 3.87Å; Y148-Q152 VanDerWaalsContact CE2-NE2 3.28Å; Y148-Q152 WeakPolarHBondContact O-CG 3.16Å; Y148-Q152 PolarHBondContact O-N 3.24Å; Y148-Q152 PolarHBondContact OH-NE2 3.39Å; L149-Q152 PolarHBondContact O-N 3.22Å; G150-Q152 PolarHBondContact O-N 3.33Å; Q152-R155 PolarHBondContact O-N 2.78Å; Q152-L156 PolarHBondContact O-N 3.04Å
153	I	94.2	Very high	91.6	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-62.6	-45.6	174.8	-71	168	0	0	0	110.7	I136 L149 G150 R155 L156 V157 L182 L193 C197 M201	I136-I153 HydrophobicContact CD1-CG1 4.03Å; I136-I153 HydrophobicContact CG1-CG1 4.14Å; I136-I153 HydrophobicContact CG2-CG1 4.06Å; L149-I153 HydrophobicContact CD1-CD1 4.11Å; L149-I153 HydrophobicContact CD1-CG1 4.19Å; L149-I153 HydrophobicContact CD2-CD1 4.45Å; L149-I153 HydrophobicContact CG-CD1 3.84Å; L149-I153 HydrophobicContact CG-CG1 4.38Å; L149-I153 WeakPolarHBondContact O-CB 3.12Å; L149-I153 VanDerWaalsContact O-CG1 3.3Å; L149-I153 WeakPolarHBondContact O-CG1 3.38Å; L149-I153 PolarHBondContact O-N 3.45Å; G150-I153 PolarHBondContact O-N 2.77Å; I153-R155 PolarHBondContact O-N 3.14Å; I153-L156 PolarHBondContact O-N 3.24Å; I153-V157 HydrophobicContact CG2-CG2 4.24Å; I153-V157 WeakPolarHBondContact O-CG2 3.21Å; I153-V157 PolarHBondContact O-N 3.02Å; I153-L182 HydrophobicContact CG1-CD2 4.32Å; I153-L182 HydrophobicContact CG2-CD2 3.99Å; I153-L193 HydrophobicContact CD1-CD1 4.22Å; I153-L193 HydrophobicContact CD1-CD2 4.31Å; I153-C197 VanDerWaalsContact CG2-SG 3.6Å; I153-M201 HydrophobicContact CD1-SD 4.1Å; I153-M201 HydrophobicContact CG2-CG 3.47Å; I153-M201 VanDerWaalsContact CG2-CG 3.47Å; I153-M201 HydrophobicContact CG2-SD 3.81Å
154	L	93.4	Very high	91.7	Very high	42 Å²	42	47.5 Å²	47.5	22%	0.22	24%	0.24	C	C	.	.	H	α-helix	trans	-61.1	-43	176.7	-72.1	172.2	0	0	0	111.9	G150 T151 L156 V157 V158 C197 E200	G150-L154 WeakPolarHBondContact O-CG 3.46Å; G150-L154 PolarHBondContact O-N 3.38Å; T151-L154 PolarHBondContact O-N 3.27Å; L154-L156 PolarHBondContact O-N 3.21Å; L154-V157 PolarHBondContact O-N 3.16Å; L154-V158 PolarHBondContact O-N 3.13Å; L154-V158 VanDerWaalsContact O-N 3.15Å; L154-C197 HydrophobicContact CD2-CB 4.48Å; L154-C197 HydrophobicContact CG-CB 4.42Å; L154-E200 HydrophobicContact CD2-CB 3.75Å; L154-E200 HydrophobicContact CD2-CG 3.62Å
155	R	93.7	Very high	91.8	Very high	104 Å²	104	46.5 Å²	46.5	39%	0.392	24%	0.238	S	C	.	.	H	α-helix	trans	-59.1	-46	173.3	-171.7	177.8	-177.6	-158.1	-1.7	111	M124 E128 L132 T151 Q152 I153 V157 V158 H159	M124-R155 VanDerWaalsContact CE-NH2 3.25Å; M124-R155 PolarHBondContact SD-NH2 3.15Å; E128-R155 IonicContact OE1-CZ 3.62Å; E128-R155 IonicContact OE1-NH1 3.54Å; E128-R155 IonicContact OE1-NH2 3.38Å; E128-R155 PolarHBondContact OE1-NH2 2.92Å; L132-R155 HydrophobicContact CD2-CB 4.28Å; L132-R155 HydrophobicContact CD2-CG 4.16Å; T151-R155 WeakPolarHBondContact O-CB 3.47Å; T151-R155 PolarHBondContact O-N 2.77Å; Q152-R155 PolarHBondContact O-N 2.78Å; I153-R155 PolarHBondContact O-N 3.14Å; R155-V157 PolarHBondContact O-N 2.73Å; R155-V158 PolarHBondContact O-N 3.24Å; R155-H159 PolarHBondContact O-CD2 3.17Å; R155-H159 PolarHBondContact O-N 3.39Å
156	L	94.6	Very high	91.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-61.5	-42.3	176.4	-179.8	65.6	0	0	0	112	I129 L132 M133 I136 Q152 I153 L154 V158 H159 L160 V178	I129-L156 HydrophobicContact CG2-CD1 3.9Å; L132-L156 HydrophobicContact CD2-CB 3.83Å; L132-L156 HydrophobicContact CD2-CD1 4.34Å; L132-L156 HydrophobicContact CG-CB 4.23Å; M133-L156 HydrophobicContact CE-CD1 4.14Å; M133-L156 HydrophobicContact CG-CD1 3.76Å; M133-L156 HydrophobicContact CG-CD2 4.08Å; I136-L156 HydrophobicContact CD1-CB 3.82Å; I136-L156 HydrophobicContact CD1-CD2 3.58Å; I136-L156 HydrophobicContact CD1-CG 4.29Å; Q152-L156 PolarHBondContact O-N 3.04Å; I153-L156 PolarHBondContact O-N 3.24Å; L154-L156 PolarHBondContact O-N 3.21Å; L156-V158 VanDerWaalsContact C-N 3.35Å; L156-V158 PolarHBondContact O-N 3.27Å; L156-H159 PolarHBondContact O-N 3.23Å; L156-L160 HydrophobicContact CD1-CD1 3.92Å; L156-L160 HydrophobicContact CD1-CG 3.95Å; L156-L160 HydrophobicContact CD2-CD1 4.07Å; L156-L160 HydrophobicContact CG-CD1 3.73Å; L156-L160 HydrophobicContact CG-CG 4.15Å; L156-L160 WeakPolarHBondContact O-CB 3.33Å; L156-L160 WeakPolarHBondContact O-CG 3.34Å; L156-L160 PolarHBondContact O-N 3.03Å; L156-V178 HydrophobicContact CD2-CG2 3.83Å
157	V	93	Very high	91.8	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.006	24%	0.243	C	C	.	.	H	α-helix	trans	-60	-43.4	179.9	172.6	0	0	0	0	111.3	I153 L154 R155 H159 L160 K161 E200 L204	I153-V157 HydrophobicContact CG2-CG2 4.24Å; I153-V157 WeakPolarHBondContact O-CG2 3.21Å; I153-V157 PolarHBondContact O-N 3.02Å; L154-V157 PolarHBondContact O-N 3.16Å; R155-V157 PolarHBondContact O-N 2.73Å; V157-H159 PolarHBondContact O-N 3.47Å; V157-L160 PolarHBondContact O-N 3.22Å; V157-K161 HydrophobicContact CG1-CD 3.93Å; V157-K161 HydrophobicContact CG1-CG 4.28Å; V157-K161 WeakPolarHBondContact O-CB 3.28Å; V157-K161 WeakPolarHBondContact O-CG 3.28Å; V157-K161 PolarHBondContact O-N 3.03Å; V157-E200 HydrophobicContact CG1-CB 4.29Å; V157-L204 HydrophobicContact CB-CD2 4.31Å; V157-L204 HydrophobicContact CG1-CB 4.27Å; V157-L204 HydrophobicContact CG1-CD2 4.4Å; V157-L204 HydrophobicContact CG2-CD2 3.79Å
158	V	91.9	Very high	91.9	Very high	69 Å²	69	44.5 Å²	44.5	42%	0.418	22%	0.222	S	C	.	.	H	α-helix	trans	-60.8	-45.4	177.6	173.6	0	0	0	0	111.5	L154 R155 L156 K162	L154-V158 PolarHBondContact O-N 3.13Å; L154-V158 VanDerWaalsContact O-N 3.15Å; R155-V158 PolarHBondContact O-N 3.24Å; L156-V158 VanDerWaalsContact C-N 3.35Å; L156-V158 PolarHBondContact O-N 3.27Å; V158-K162 PolarHBondContact O-N 3.17Å
159	H	92.3	Very high	91.8	Very high	19 Å²	19	43.7 Å²	43.7	9%	0.088	23%	0.231	C	C	.	.	H	α-helix	trans	-70.5	-36.9	178.5	-65.7	-61.1	0	0	0	112.5	M124 I129 R155 L156 V157 K162 F163	M124-H159 WeakPolarHBondContact CB-CE1 3.47Å; I129-H159 HydrophobicContact CD1-CB 4.01Å; I129-H159 HydrophobicContact CG1-CB 4.27Å; R155-H159 PolarHBondContact O-CD2 3.17Å; R155-H159 PolarHBondContact O-N 3.39Å; L156-H159 PolarHBondContact O-N 3.23Å; V157-H159 PolarHBondContact O-N 3.47Å; H159-K162 PolarHBondContact O-N 3.18Å; H159-F163 HydrophobicContact CB-CD2 4.49Å; H159-F163 WeakPolarHBondContact O-CD2 3.34Å; H159-F163 PolarHBondContact O-N 3.49Å
160	L	93.1	Very high	91.7	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-70.1	-33.8	176.4	-77.3	-179.5	0	0	0	113.5	M133 L156 V157 K162 G164 M167 L175 F179 L204 W212	M133-L160 HydrophobicContact CE-CD1 4.13Å; M133-L160 HydrophobicContact CE-CD2 3.57Å; M133-L160 HydrophobicContact CE-CG 4.21Å; L156-L160 HydrophobicContact CD1-CD1 3.92Å; L156-L160 HydrophobicContact CD1-CG 3.95Å; L156-L160 HydrophobicContact CD2-CD1 4.07Å; L156-L160 HydrophobicContact CG-CD1 3.73Å; L156-L160 HydrophobicContact CG-CG 4.15Å; L156-L160 WeakPolarHBondContact O-CB 3.33Å; L156-L160 WeakPolarHBondContact O-CG 3.34Å; L156-L160 PolarHBondContact O-N 3.03Å; V157-L160 PolarHBondContact O-N 3.22Å; L160-K162 PolarHBondContact O-N 2.71Å; L160-G164 WeakPolarHBondContact O-CA 3.42Å; L160-G164 PolarHBondContact O-N 2.84Å; L160-M167 HydrophobicContact CD2-SD 3.91Å; L160-L175 HydrophobicContact CD1-CD2 4.5Å; L160-L175 HydrophobicContact CD2-CD2 3.63Å; L160-F179 HydrophobicContact CD1-CE2 4Å; L160-F179 HydrophobicContact CD1-CZ 4.46Å; L160-L204 HydrophobicContact CB-CD1 3.85Å; L160-L204 HydrophobicContact CB-CD2 4.22Å; L160-L204 HydrophobicContact CD1-CD2 3.86Å; L160-W212 HydrophobicContact CB-CH2 4.25Å; L160-W212 HydrophobicContact CB-CZ3 4.38Å; L160-W212 HydrophobicContact CD2-CH2 4.34Å; L160-W212 VanDerWaalsContact O-CZ3 3.22Å; L160-W212 WeakPolarHBondContact O-CZ3 3.44Å
161	K	90.5	Very high	91.7	Very high	68 Å²	68	51.4 Å²	51.4	30%	0.296	27%	0.272	S	S	.	.	H	α-helix	trans	-61.2	-30.5	170.7	-77.8	174.7	170.8	178.4	0	112	V157 E200 E203 L204 L207	V157-K161 HydrophobicContact CG1-CD 3.93Å; V157-K161 HydrophobicContact CG1-CG 4.28Å; V157-K161 WeakPolarHBondContact O-CB 3.28Å; V157-K161 WeakPolarHBondContact O-CG 3.28Å; V157-K161 PolarHBondContact O-N 3.03Å; K161-E200 IonicContact NZ-OE1 3.73Å; K161-E200 IonicContact NZ-OE2 2.76Å; K161-E200 PolarHBondContact NZ-OE2 2.83Å; K161-E203 VanDerWaalsContact CE-CD 3.48Å; K161-E203 VanDerWaalsContact CE-OE1 3.23Å; K161-E203 WeakPolarHBondContact CE-OE1 3.4Å; K161-E203 IonicContact NZ-OE1 2.72Å; K161-E203 PolarHBondContact NZ-OE1 2.87Å; K161-E203 IonicContact NZ-OE2 3.71Å; K161-E203 PolarHBondContact NZ-OE2 3.06Å; K161-L204 HydrophobicContact CG-CD1 4.24Å; K161-L207 HydrophobicContact CG-CD2 4.04Å
162	K	88.8	Confident	91.7	Very high	112 Å²	112	52.8 Å²	52.8	49%	0.487	27%	0.274	S	S	.	.	H	α-helix	trans	-85.5	-48.7	177.1	-66.6	-176.7	-178.7	-176	0	113.5	N121 V158 H159 L160	N121-K162 PolarHBondContact OD1-NZ 2.97Å; N121-K162 VanDerWaalsContact OD1-NZ 3.13Å; V158-K162 PolarHBondContact O-N 3.17Å; H159-K162 PolarHBondContact O-N 3.18Å; L160-K162 PolarHBondContact O-N 2.71Å
163	F	89.3	Confident	91.7	Very high	55 Å²	55	60.3 Å²	60.3	24%	0.241	31%	0.306	C	S	.	.	H	α-helix	trans	-108.5	0	-168.5	-57.5	-64	0	0	0	114.7	E123 I129 H159 L165 A166 M167	E123-F163 HydrophobicContact CB-CZ 4.42Å; E123-F163 HydrophobicContact CG-CZ 4.34Å; I129-F163 HydrophobicContact CD1-CD2 4.02Å; H159-F163 HydrophobicContact CB-CD2 4.49Å; H159-F163 WeakPolarHBondContact O-CD2 3.34Å; H159-F163 PolarHBondContact O-N 3.49Å; F163-L165 VanDerWaalsContact C-N 3.34Å; F163-L165 PolarHBondContact O-N 2.66Å; F163-A166 PolarHBondContact O-N 2.74Å; F163-A166 VanDerWaalsContact O-N 3.09Å; F163-M167 HydrophobicContact CB-CG 4.48Å; F163-M167 PolarHBondContact O-N 2.89Å
164	G	89.9	Confident	91.6	Very high	1 Å²	1	63.8 Å²	63.8	1%	0.01	32%	0.324	C	S	.	.	H	α-helix	trans	-55.6	-41.6	-171.5	0	0	0	0	0	114.7	L160 M167 E168 W212	L160-G164 WeakPolarHBondContact O-CA 3.42Å; L160-G164 PolarHBondContact O-N 2.84Å; G164-M167 PolarHBondContact O-N 3.48Å; G164-E168 WeakPolarHBondContact O-CB 3.49Å; G164-E168 PolarHBondContact O-N 3.25Å; G164-W212 VanDerWaalsContact C-CE2 3.48Å
165	L	91.4	Very high	91.7	Very high	113 Å²	113	61.8 Å²	61.8	59%	0.592	31%	0.314	S	S	*	.	H	α-helix	trans	-65	-41.9	177.4	-176.7	61.7	0	0	0	112.4	F163 E168 W212	F163-L165 VanDerWaalsContact C-N 3.34Å; F163-L165 PolarHBondContact O-N 2.66Å; L165-E168 WeakPolarHBondContact O-CB 3.46Å; L165-E168 PolarHBondContact O-N 3.26Å; L165-W212 HydrophobicContact CB-CB 4.04Å; L165-W212 HydrophobicContact CB-CG 4.21Å; L165-W212 HydrophobicContact CD1-CB 4.39Å
166	A	89.6	Confident	91.7	Very high	64 Å²	64	60.1 Å²	60.1	53%	0.529	31%	0.313	S	S	.	.	H	α-helix	trans	-68	-38.2	176.2	0	0	0	0	0	111.7	F163 E168 T169 S170	F163-A166 PolarHBondContact O-N 2.74Å; F163-A166 VanDerWaalsContact O-N 3.09Å; A166-E168 VanDerWaalsContact C-N 3.33Å; A166-T169 PolarHBondContact O-N 3.18Å; A166-S170 PolarHBondContact O-N 2.99Å
167	M	90	Very high	91.7	Very high	3 Å²	3	63.7 Å²	63.7	2%	0.015	33%	0.33	C	S	.	.	H	α-helix	trans	-68.4	-29.7	174.4	-69.6	-166.4	75.1	0	0	112.9	I129 L130 M133 L160 F163 G164 T169 S170 Y171 L175	I129-M167 HydrophobicContact CG2-CE 4.12Å; I129-M167 HydrophobicContact CG2-SD 3.86Å; L130-M167 HydrophobicContact CD2-CE 3.72Å; L130-M167 HydrophobicContact CG-CE 4.27Å; M133-M167 HydrophobicContact CE-CE 3.48Å; M133-M167 VanDerWaalsContact CE-CE 3.48Å; M133-M167 HydrophobicContact CE-SD 3.95Å; M133-M167 HydrophobicContact SD-CE 4.16Å; L160-M167 HydrophobicContact CD2-SD 3.91Å; F163-M167 HydrophobicContact CB-CG 4.48Å; F163-M167 PolarHBondContact O-N 2.89Å; G164-M167 PolarHBondContact O-N 3.48Å; M167-T169 PolarHBondContact O-N 3.26Å; M167-S170 PolarHBondContact O-N 3Å; M167-Y171 HydrophobicContact CE-CD2 4.46Å; M167-Y171 CarbonylContact O-C 3.56Å; M167-Y171 WeakPolarHBondContact O-CA 3.46Å; M167-Y171 PolarHBondContact O-N 3.02Å; M167-L175 HydrophobicContact CB-CD1 3.69Å; M167-L175 HydrophobicContact CB-CD2 4.49Å; M167-L175 HydrophobicContact CB-CG 4.24Å; M167-L175 WeakPolarHBondContact O-CD1 3.47Å
168	E	91.2	Very high	91.8	Very high	38 Å²	38	63.7 Å²	63.7	18%	0.178	33%	0.329	C	S	.	.	H	α-helix	trans	-62.9	-33.2	176.2	-163.7	75.4	-136	0	0	111.5	G164 L165 A166 Q172 L175 R208 W212	G164-E168 WeakPolarHBondContact O-CB 3.49Å; G164-E168 PolarHBondContact O-N 3.25Å; L165-E168 WeakPolarHBondContact O-CB 3.46Å; L165-E168 PolarHBondContact O-N 3.26Å; A166-E168 VanDerWaalsContact C-N 3.33Å; E168-Q172 HydrophobicContact CG-CG 4.5Å; E168-Q172 WeakPolarHBondContact O-CB 3.26Å; E168-Q172 WeakPolarHBondContact O-CG 3.34Å; E168-Q172 VanDerWaalsContact OE1-CG 3.28Å; E168-Q172 WeakPolarHBondContact OE1-CG 3.43Å; E168-Q172 PolarHBondContact OE1-NE2 2.79Å; E168-L175 VanDerWaalsContact CA-CD1 3.5Å; E168-L175 HydrophobicContact CB-CD1 4.16Å; E168-L175 VanDerWaalsContact N-CD1 3.31Å; E168-R208 IonicContact OE1-CZ 2.8Å; E168-R208 IonicContact OE1-NE 2.66Å; E168-R208 IonicContact OE1-NH2 2.77Å; E168-R208 PolarHBondContact OE1-NH2 2.91Å; E168-R208 IonicContact OE2-CZ 3.22Å; E168-R208 IonicContact OE2-NE 2.68Å; E168-R208 PolarHBondContact OE2-NE 2.85Å; E168-R208 IonicContact OE2-NH2 3.39Å; E168-R208 PolarHBondContact OE2-NH2 2.68Å; E168-W212 PolarHBondContact OE2-NE1 3.43Å
169	T	90	Very high	92	Very high	121 Å²	121	60.5 Å²	60.5	74%	0.742	31%	0.31	S	S	*	.	H	α-helix	trans	-73.5	-44.6	176.2	-50.9	0	0	0	0	112.6	A166 M167	A166-T169 PolarHBondContact O-N 3.18Å; M167-T169 PolarHBondContact O-N 3.26Å
170	S	90.6	Very high	92	Very high	86 Å²	86	62.5 Å²	62.5	60%	0.601	32%	0.323	S	S	*	.	H	α-helix	trans	-99.1	-28.2	-170	-57	0	0	0	0	115.1	A166 M167	A166-S170 PolarHBondContact O-N 2.99Å; M167-S170 PolarHBondContact O-N 3Å
171	Y	92.2	Very high	92	Very high	86 Å²	86	62.6 Å²	62.6	34%	0.337	32%	0.324	S	S	.	.			trans	-133.5	36.3	-169.4	-60	-77.8	0	0	0	112.3	I126 L130 M167 K173 D174 L175	I126-Y171 HydrophobicContact CG2-CD2 4.13Å; I126-Y171 HydrophobicContact CG2-CE2 3.64Å; L130-Y171 HydrophobicContact CD1-CD1 3.84Å; L130-Y171 HydrophobicContact CD1-CE1 3.71Å; L130-Y171 HydrophobicContact CD1-CG 4.38Å; L130-Y171 HydrophobicContact CD2-CD1 4.14Å; L130-Y171 HydrophobicContact CD2-CG 4.19Å; M167-Y171 HydrophobicContact CE-CD2 4.46Å; M167-Y171 CarbonylContact O-C 3.56Å; M167-Y171 WeakPolarHBondContact O-CA 3.46Å; M167-Y171 PolarHBondContact O-N 3.02Å; Y171-K173 PolarHBondContact O-N 3.07Å; Y171-K173 VanDerWaalsContact O-N 3.13Å; Y171-D174 PolarHBondContact O-N 2.81Å; Y171-L175 PolarHBondContact O-N 3.13Å; Y171-L175 VanDerWaalsContact O-N 3.1Å
172	Q	92.4	Very high	92.2	Very high	105 Å²	105	59.4 Å²	59.4	49%	0.491	31%	0.31	S	S	.	.	H	α-helix	trans	-55.8	-33.7	-174.4	-151.2	-167.7	16.9	0	0	114	E168 N176	E168-Q172 HydrophobicContact CG-CG 4.5Å; E168-Q172 WeakPolarHBondContact O-CB 3.26Å; E168-Q172 WeakPolarHBondContact O-CG 3.34Å; E168-Q172 VanDerWaalsContact OE1-CG 3.28Å; E168-Q172 WeakPolarHBondContact OE1-CG 3.43Å; E168-Q172 PolarHBondContact OE1-NE2 2.79Å; Q172-N176 WeakPolarHBondContact O-CB 3.34Å; Q172-N176 VanDerWaalsContact O-CG 3.27Å; Q172-N176 PolarHBondContact O-N 2.82Å; Q172-N176 PolarHBondContact O-ND2 3.24Å; Q172-N176 VanDerWaalsContact O-ND2 3.08Å
173	K	93.4	Very high	92.4	Very high	179 Å²	179	59.3 Å²	59.3	78%	0.778	31%	0.307	S	S	*	.	H	α-helix	trans	-66.9	-46.8	-179.8	-68	178.6	-178.9	173.5	0	111.6	Y171 N176 H177	Y171-K173 PolarHBondContact O-N 3.07Å; Y171-K173 VanDerWaalsContact O-N 3.13Å; K173-N176 PolarHBondContact O-N 3.41Å; K173-H177 PolarHBondContact O-N 3Å
174	D	93.4	Very high	92.4	Very high	73 Å²	73	60 Å²	60	39%	0.39	31%	0.311	S	S	.	.	H	α-helix	trans	-68.8	-39.7	-179.9	-54	-63.9	0	0	0	111.2	L130 M133 Y171 N176 H177 V178	L130-D174 HydrophobicContact CD2-CB 4.04Å; M133-D174 HydrophobicContact SD-CB 4.47Å; Y171-D174 PolarHBondContact O-N 2.81Å; D174-N176 PolarHBondContact O-N 3.38Å; D174-H177 PolarHBondContact O-N 3.43Å; D174-V178 PolarHBondContact O-N 3.47Å
175	L	94.5	Very high	92.5	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-58.3	-46	169	-81.5	175	0	0	0	112.2	M133 L160 M167 E168 Y171 H177 V178 F179 W212	M133-L175 HydrophobicContact CE-CD2 3.69Å; M133-L175 HydrophobicContact CE-CG 4.41Å; L160-L175 HydrophobicContact CD1-CD2 4.5Å; L160-L175 HydrophobicContact CD2-CD2 3.63Å; M167-L175 HydrophobicContact CB-CD1 3.69Å; M167-L175 HydrophobicContact CB-CD2 4.49Å; M167-L175 HydrophobicContact CB-CG 4.24Å; M167-L175 WeakPolarHBondContact O-CD1 3.47Å; E168-L175 VanDerWaalsContact CA-CD1 3.5Å; E168-L175 HydrophobicContact CB-CD1 4.16Å; E168-L175 VanDerWaalsContact N-CD1 3.31Å; Y171-L175 PolarHBondContact O-N 3.13Å; Y171-L175 VanDerWaalsContact O-N 3.1Å; L175-H177 VanDerWaalsContact C-N 3.3Å; L175-H177 PolarHBondContact O-N 2.92Å; L175-V178 PolarHBondContact O-N 3.02Å; L175-F179 HydrophobicContact CD2-CD2 4.35Å; L175-F179 HydrophobicContact CD2-CE2 3.92Å; L175-F179 WeakPolarHBondContact O-CB 3.32Å; L175-F179 VanDerWaalsContact O-CD2 3.22Å; L175-F179 WeakPolarHBondContact O-CD2 3.33Å; L175-F179 PolarHBondContact O-N 2.78Å; L175-W212 HydrophobicContact CD1-CZ2 4.5Å; L175-W212 HydrophobicContact CD2-CZ2 4.35Å
176	N	94.3	Very high	92.3	Very high	69 Å²	69	56.1 Å²	56.1	37%	0.369	29%	0.293	S	S	.	.	H	α-helix	trans	-61	-40.7	177.2	-81.4	-35.5	0	0	0	112.2	Q172 K173 D174 V180 R208	Q172-N176 WeakPolarHBondContact O-CB 3.34Å; Q172-N176 VanDerWaalsContact O-CG 3.27Å; Q172-N176 PolarHBondContact O-N 2.82Å; Q172-N176 PolarHBondContact O-ND2 3.24Å; Q172-N176 VanDerWaalsContact O-ND2 3.08Å; K173-N176 PolarHBondContact O-N 3.41Å; D174-N176 PolarHBondContact O-N 3.38Å; N176-V180 WeakPolarHBondContact O-CG2 3.36Å; N176-V180 PolarHBondContact O-N 3.27Å; N176-R208 PolarHBondContact OD1-NH1 2.78Å; N176-R208 VanDerWaalsContact OD1-NH1 3.14Å; N176-R208 PolarHBondContact OD1-NH2 3.39Å
177	H	94.5	Very high	92.1	Very high	76 Å²	76	58.5 Å²	58.5	35%	0.352	30%	0.304	S	S	.	.	H	α-helix	trans	-64.9	-51.5	176.5	-171.3	-157.1	0	0	0	111.9	N137 K173 D174 L175 F179 V180 S181	N137-H177 PolarHBondContact ND2-ND1 3.2Å; K173-H177 PolarHBondContact O-N 3Å; D174-H177 PolarHBondContact O-N 3.43Å; L175-H177 VanDerWaalsContact C-N 3.3Å; L175-H177 PolarHBondContact O-N 2.92Å; H177-F179 VanDerWaalsContact C-N 3.34Å; H177-F179 PolarHBondContact O-N 3.32Å; H177-V180 WeakPolarHBondContact O-CB 3.38Å; H177-V180 PolarHBondContact O-N 3Å; H177-S181 PolarHBondContact O-N 3.23Å; H177-S181 VanDerWaalsContact O-N 3.09Å; H177-S181 PolarHBondContact O-OG 3.41Å
178	V	94.9	Very high	91.9	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-66.1	-34.3	-178.4	78.7	0	0	0	0	112.6	M133 I136 N137 L156 D174 L175 V180 S181 L182	M133-V178 HydrophobicContact CB-CB 4.17Å; M133-V178 HydrophobicContact CB-CG2 4.04Å; M133-V178 HydrophobicContact CE-CG1 4.16Å; M133-V178 HydrophobicContact CG-CB 4.18Å; M133-V178 HydrophobicContact CG-CG1 4.08Å; M133-V178 HydrophobicContact CG-CG2 4.09Å; M133-V178 HydrophobicContact SD-CB 4.44Å; M133-V178 HydrophobicContact SD-CG1 3.97Å; I136-V178 HydrophobicContact CG2-CG2 4.45Å; N137-V178 WeakPolarHBondContact OD1-CA 3.47Å; L156-V178 HydrophobicContact CD2-CG2 3.83Å; D174-V178 PolarHBondContact O-N 3.47Å; L175-V178 PolarHBondContact O-N 3.02Å; V178-V180 VanDerWaalsContact C-N 3.3Å; V178-V180 PolarHBondContact O-N 3.19Å; V178-S181 CarbonylContact O-C 3.57Å; V178-S181 WeakPolarHBondContact O-CB 3.36Å; V178-S181 PolarHBondContact O-N 3.13Å; V178-S181 VanDerWaalsContact O-N 3.15Å; V178-L182 HydrophobicContact CG2-CG 4.47Å; V178-L182 WeakPolarHBondContact O-CG 3.46Å; V178-L182 PolarHBondContact O-N 3.34Å
179	F	95.4	Very high	91.5	Very high	2 Å²	2	63.6 Å²	63.6	1%	0.009	32%	0.322	C	S	.	.	H	α-helix	trans	-70.4	-23.5	174.2	-85.5	-102.9	0	0	0	113.4	L160 L175 H177 R183 L204 I205 R208 W212	L160-F179 HydrophobicContact CD1-CE2 4Å; L160-F179 HydrophobicContact CD1-CZ 4.46Å; L175-F179 HydrophobicContact CD2-CD2 4.35Å; L175-F179 HydrophobicContact CD2-CE2 3.92Å; L175-F179 WeakPolarHBondContact O-CB 3.32Å; L175-F179 VanDerWaalsContact O-CD2 3.22Å; L175-F179 WeakPolarHBondContact O-CD2 3.33Å; L175-F179 PolarHBondContact O-N 2.78Å; H177-F179 VanDerWaalsContact C-N 3.34Å; H177-F179 PolarHBondContact O-N 3.32Å; F179-R183 WeakPolarHBondContact O-CG 3.24Å; F179-R183 PolarHBondContact O-N 3.45Å; F179-R183 PolarHBondContact O-NE 3.36Å; F179-R183 PolarHBondContact O-NH2 2.86Å; F179-L204 HydrophobicContact CE1-CD2 4.48Å; F179-L204 HydrophobicContact CE1-CG 4.04Å; F179-L204 HydrophobicContact CZ-CD1 4.25Å; F179-L204 HydrophobicContact CZ-CD2 4.02Å; F179-L204 HydrophobicContact CZ-CG 3.76Å; F179-I205 HydrophobicContact CD1-CG1 4.17Å; F179-I205 HydrophobicContact CE1-CG1 4.41Å; F179-R208 HydrophobicContact CD1-CB 4.27Å; F179-R208 HydrophobicContact CE1-CB 3.5Å; F179-R208 VanDerWaalsContact CE1-CB 3.5Å; F179-R208 VanDerWaalsContact CE1-CD 3.44Å; F179-R208 HydrophobicContact CE1-CG 4.06Å; F179-R208 VanDerWaalsContact CE2-CD 3.49Å; F179-R208 HydrophobicContact CZ-CB 3.76Å; F179-R208 HydrophobicContact CZ-CG 4.15Å; F179-W212 HydrophobicContact CE2-CH2 4Å; F179-W212 HydrophobicContact CE2-CZ2 4.27Å; F179-W212 AromaticContact CZ-CH2 3.64Å; F179-W212 HydrophobicContact CZ-CH2 3.64Å; F179-W212 HydrophobicContact CZ-CZ2 4.13Å; F179-W212 HydrophobicContact CZ-CZ3 4.49Å
180	V	93.4	Very high	90.8	Very high	61 Å²	61	62.3 Å²	62.3	37%	0.37	32%	0.324	S	S	.	.	H	α-helix	trans	-68.8	-46.8	166.4	170.5	0	0	0	0	109.9	N176 H177 V178 R183 Q184	N176-V180 WeakPolarHBondContact O-CG2 3.36Å; N176-V180 PolarHBondContact O-N 3.27Å; H177-V180 WeakPolarHBondContact O-CB 3.38Å; H177-V180 PolarHBondContact O-N 3Å; V178-V180 VanDerWaalsContact C-N 3.3Å; V178-V180 PolarHBondContact O-N 3.19Å; V180-R183 PolarHBondContact O-N 3.45Å; V180-Q184 WeakPolarHBondContact O-CG 3.2Å; V180-Q184 PolarHBondContact O-N 2.75Å
181	S	92.9	Very high	90.3	Very high	3 Å²	3	60.1 Å²	60.1	2%	0.021	32%	0.315	C	S	.	.	H	α-helix	trans	-59.9	-46	176.7	-57.3	0	0	0	0	112.4	N137 V140 H177 V178 R183 Q184 A185	N137-S181 VanDerWaalsContact OD1-CB 3.27Å; N137-S181 WeakPolarHBondContact OD1-CB 3.49Å; N137-S181 PolarHBondContact OD1-OG 3.24Å; V140-S181 WeakPolarHBondContact CG1-O 3.2Å; H177-S181 PolarHBondContact O-N 3.23Å; H177-S181 VanDerWaalsContact O-N 3.09Å; H177-S181 PolarHBondContact O-OG 3.41Å; V178-S181 CarbonylContact O-C 3.57Å; V178-S181 WeakPolarHBondContact O-CB 3.36Å; V178-S181 PolarHBondContact O-N 3.13Å; V178-S181 VanDerWaalsContact O-N 3.15Å; S181-R183 VanDerWaalsContact C-N 3.33Å; S181-R183 PolarHBondContact O-N 3.42Å; S181-Q184 CarbonylContact O-C 3.57Å; S181-Q184 WeakPolarHBondContact O-CA 3.25Å; S181-Q184 WeakPolarHBondContact O-CB 3.36Å; S181-Q184 PolarHBondContact O-N 2.71Å; S181-A185 WeakPolarHBondContact O-CB 3.29Å; S181-A185 PolarHBondContact O-N 2.87Å
182	L	93.9	Very high	90	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-60.6	-40.3	177.1	-68.1	172.7	0	0	0	112.2	I136 I153 V178 A185 C186 M201 L204 I205	I136-L182 HydrophobicContact CG2-CD2 4.48Å; I153-L182 HydrophobicContact CG1-CD2 4.32Å; I153-L182 HydrophobicContact CG2-CD2 3.99Å; V178-L182 HydrophobicContact CG2-CG 4.47Å; V178-L182 WeakPolarHBondContact O-CG 3.46Å; V178-L182 PolarHBondContact O-N 3.34Å; L182-A185 PolarHBondContact O-N 2.91Å; L182-C186 PolarHBondContact O-N 2.89Å; L182-C186 PolarHBondContact O-SG 3.5Å; L182-M201 HydrophobicContact CD2-CG 4.09Å; L182-M201 HydrophobicContact CD2-SD 3.85Å; L182-L204 HydrophobicContact CD1-CD2 4.01Å; L182-I205 HydrophobicContact CB-CD1 4.41Å
183	R	92.8	Very high	89.7	Confident	110 Å²	110	56.8 Å²	56.8	42%	0.415	30%	0.303	S	S	.	.	H	α-helix	trans	-64	-39.9	172.3	-76.5	-177.8	-67.3	-104	0.3	112.2	F179 V180 S181 C187 I205	F179-R183 WeakPolarHBondContact O-CG 3.24Å; F179-R183 PolarHBondContact O-N 3.45Å; F179-R183 PolarHBondContact O-NE 3.36Å; F179-R183 PolarHBondContact O-NH2 2.86Å; V180-R183 PolarHBondContact O-N 3.45Å; S181-R183 VanDerWaalsContact C-N 3.33Å; S181-R183 PolarHBondContact O-N 3.42Å; R183-C187 PolarHBondContact O-N 3.37Å; R183-C187 PolarHBondContact O-SG 2.9Å; R183-C187 VanDerWaalsContact O-SG 3.38Å; R183-I205 HydrophobicContact CG-CD1 3.82Å; R183-I205 HydrophobicContact CG-CG1 4.4Å; R183-I205 HydrophobicContact CG-CG2 4.49Å
184	Q	90.6	Very high	89.2	Confident	71 Å²	71	49.8 Å²	49.8	33%	0.332	28%	0.281	S	S	.	.	H	α-helix	trans	-65.7	-42.9	175.2	-70.3	177.3	11	0	0	111.6	V140 V180 S181 C186 C187 R188	V140-Q184 HydrophobicContact CG1-CB 4.12Å; V180-Q184 WeakPolarHBondContact O-CG 3.2Å; V180-Q184 PolarHBondContact O-N 2.75Å; S181-Q184 CarbonylContact O-C 3.57Å; S181-Q184 WeakPolarHBondContact O-CA 3.25Å; S181-Q184 WeakPolarHBondContact O-CB 3.36Å; S181-Q184 PolarHBondContact O-N 2.71Å; Q184-C186 PolarHBondContact O-N 2.91Å; Q184-C187 PolarHBondContact O-N 3.27Å; Q184-C187 VanDerWaalsContact O-N 3.12Å; Q184-R188 WeakPolarHBondContact O-CB 3.35Å; Q184-R188 VanDerWaalsContact O-CG 3.32Å; Q184-R188 WeakPolarHBondContact O-CG 3.24Å; Q184-R188 PolarHBondContact O-N 3.5Å
185	A	90.3	Very high	88.9	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-59.6	-45.7	176.4	0	0	0	0	0	111.7	V140 F145 S181 L182 C187 R188 D189 L193 M201	V140-A185 HydrophobicContact CG1-CB 4.16Å; V140-A185 HydrophobicContact CG2-CB 3.89Å; F145-A185 HydrophobicContact CE1-CB 4.04Å; S181-A185 WeakPolarHBondContact O-CB 3.29Å; S181-A185 PolarHBondContact O-N 2.87Å; L182-A185 PolarHBondContact O-N 2.91Å; A185-C187 PolarHBondContact O-N 3.5Å; A185-R188 PolarHBondContact O-N 3.5Å; A185-D189 VanDerWaalsContact O-CB 3.24Å; A185-D189 WeakPolarHBondContact O-CB 3.45Å; A185-D189 PolarHBondContact O-N 3.34Å; A185-L193 HydrophobicContact CB-CD1 4.27Å; A185-M201 HydrophobicContact CB-SD 4.17Å
186	C	88.1	Confident	88.5	Confident	32 Å²	32	51.2 Å²	51.2	22%	0.216	29%	0.293	C	S	.	.	H	α-helix	trans	-57.5	-30.9	175.1	-68.6	0	0	0	0	113.7	L182 Q184	L182-C186 PolarHBondContact O-N 2.89Å; L182-C186 PolarHBondContact O-SG 3.5Å; Q184-C186 PolarHBondContact O-N 2.91Å
187	C	85.8	Confident	88.2	Confident	114 Å²	114	48 Å²	48	77%	0.77	28%	0.276	S	S	*	.	H	α-helix	trans	-94.2	-23.3	-177.8	-67.4	0	0	0	0	114.4	R183 Q184 A185	R183-C187 PolarHBondContact O-N 3.37Å; R183-C187 PolarHBondContact O-SG 2.9Å; R183-C187 VanDerWaalsContact O-SG 3.38Å; Q184-C187 PolarHBondContact O-N 3.27Å; Q184-C187 VanDerWaalsContact O-N 3.12Å; A185-C187 PolarHBondContact O-N 3.5Å
188	R	85	Confident	88	Confident	136 Å²	136	48.4 Å²	48.4	51%	0.513	27%	0.274	S	S	.	.	H	α-helix	trans	-104.5	-20.3	-174.1	-64	-177.2	98	165.7	8	114	N143 F145 Q184 A185 A190	N143-R188 PolarHBondContact OD1-NE 3.25Å; N143-R188 PolarHBondContact OD1-NH1 3.47Å; F145-R188 HydrophobicContact CE2-CB 3.83Å; F145-R188 HydrophobicContact CZ-CB 3.69Å; Q184-R188 WeakPolarHBondContact O-CB 3.35Å; Q184-R188 VanDerWaalsContact O-CG 3.32Å; Q184-R188 WeakPolarHBondContact O-CG 3.24Å; Q184-R188 PolarHBondContact O-N 3.5Å; A185-R188 PolarHBondContact O-N 3.5Å; R188-A190 PolarHBondContact O-N 2.8Å
189	D	82.9	Confident	87.7	Confident	12 Å²	12	49 Å²	49	6%	0.064	28%	0.277	C	S	.	.			trans	-63.7	124.6	177.2	171.8	33.8	0	0	0	111.3	F145 A185 G191 Q192 L193 R198	F145-D189 HydrophobicContact CD1-CB 4.34Å; F145-D189 HydrophobicContact CG-CB 4.49Å; A185-D189 VanDerWaalsContact O-CB 3.24Å; A185-D189 WeakPolarHBondContact O-CB 3.45Å; A185-D189 PolarHBondContact O-N 3.34Å; D189-G191 VanDerWaalsContact C-N 3.33Å; D189-G191 PolarHBondContact OD1-N 3.39Å; D189-Q192 PolarHBondContact OD1-N 2.96Å; D189-L193 HydrophobicContact CB-CD1 3.89Å; D189-L193 HydrophobicContact CB-CG 4.14Å; D189-L193 PolarHBondContact OD1-N 3.18Å; D189-L193 WeakPolarHBondContact OD2-CB 3.38Å; D189-L193 PolarHBondContact OD2-N 2.82Å; D189-R198 VanDerWaalsContact C-NH2 3.35Å; D189-R198 PolarHBondContact O-NH2 3.35Å; D189-R198 IonicContact OD1-NH2 2.76Å; D189-R198 IonicContact OD2-CZ 3.78Å; D189-R198 IonicContact OD2-NE 3.66Å; D189-R198 PolarHBondContact OD2-NE 3.35Å; D189-R198 IonicContact OD2-NH2 2.65Å; D189-R198 PolarHBondContact OD2-NH2 2.95Å
190	A	76.4	Confident	87.4	Confident	93 Å²	93	50.6 Å²	50.6	77%	0.769	28%	0.284	S	S	*	.	S	Bend	trans	-81.7	-10.4	178.5	0	0	0	0	0	113.7	R188	R188-A190 PolarHBondContact O-N 2.8Å
191	G	80.1	Confident	87.3	Confident	40 Å²	40	47.7 Å²	47.7	41%	0.412	27%	0.267	S	S	.	.	S	Bend	trans	147.1	-11.2	179.9	0	0	0	0	0	113.2	D189 L193 G194 R198	D189-G191 VanDerWaalsContact C-N 3.33Å; D189-G191 PolarHBondContact OD1-N 3.39Å; G191-L193 PolarHBondContact O-N 2.77Å; G191-G194 PolarHBondContact O-N 2.92Å; G191-R198 VanDerWaalsContact CA-NH2 3.26Å
192	Q	85.2	Confident	87.1	Confident	110 Å²	110	50.1 Å²	50.1	51%	0.514	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-24.7	-167	-65.3	154.8	-49.9	0	0	113.5	F145 D189 G194	F145-Q192 HydrophobicContact CB-CB 4.02Å; D189-Q192 PolarHBondContact OD1-N 2.96Å; Q192-G194 VanDerWaalsContact C-N 3.32Å
193	L	85.9	Confident	86.9	Confident	12 Å²	12	51.3 Å²	51.3	6%	0.063	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-14.6	172.2	-58.9	176.4	0	0	0	112.9	F145 L149 I153 A185 D189 G191 C197 M201	F145-L193 HydrophobicContact CD1-CD1 4.08Å; F145-L193 HydrophobicContact CD1-CD2 4.39Å; F145-L193 HydrophobicContact CD1-CG 4.26Å; L149-L193 HydrophobicContact CB-CD2 4.25Å; L149-L193 HydrophobicContact CD2-CD2 4.23Å; L149-L193 HydrophobicContact CG-CD2 4.14Å; I153-L193 HydrophobicContact CD1-CD1 4.22Å; I153-L193 HydrophobicContact CD1-CD2 4.31Å; A185-L193 HydrophobicContact CB-CD1 4.27Å; D189-L193 HydrophobicContact CB-CD1 3.89Å; D189-L193 HydrophobicContact CB-CG 4.14Å; D189-L193 PolarHBondContact OD1-N 3.18Å; D189-L193 WeakPolarHBondContact OD2-CB 3.38Å; D189-L193 PolarHBondContact OD2-N 2.82Å; G191-L193 PolarHBondContact O-N 2.77Å; L193-C197 HydrophobicContact CB-CB 4.18Å; L193-C197 WeakPolarHBondContact O-CB 3.36Å; L193-M201 HydrophobicContact CD1-CE 3.74Å
194	G	83.6	Confident	86.9	Confident	31 Å²	31	46 Å²	46	32%	0.32	26%	0.264	S	S	.	.	H	α-helix	trans	76.6	158.5	-177.7	0	0	0	0	0	114.9	G191 Q192 V196 C197 R198	G191-G194 PolarHBondContact O-N 2.92Å; Q192-G194 VanDerWaalsContact C-N 3.32Å; G194-V196 VanDerWaalsContact C-N 3.3Å; G194-V196 PolarHBondContact O-N 2.93Å; G194-C197 PolarHBondContact O-N 3.26Å; G194-R198 WeakPolarHBondContact O-CG 3.46Å; G194-R198 PolarHBondContact O-N 3.49Å
195	T	85.7	Confident	87	Confident	51 Å²	51	43.6 Å²	43.6	31%	0.313	25%	0.253	S	S	.	.	H	α-helix	trans	-60	-36.7	-176.1	-57.3	0	0	0	0	113	L199 Q233	T195-L199 HydrophobicContact CG2-CD1 4.22Å; T195-L199 WeakPolarHBondContact O-CG 3.44Å; T195-L199 PolarHBondContact O-N 3.1Å; T195-L199 VanDerWaalsContact O-N 3.15Å; T195-Q233 PolarHBondContact OG1-OE1 3.34Å
196	V	86	Confident	87	Confident	53 Å²	53	45 Å²	45	32%	0.321	26%	0.259	S	S	.	.	H	α-helix	trans	-66.4	-51.1	-178	-176.1	0	0	0	0	111.3	G194 R198 L199 E200 I230	G194-V196 VanDerWaalsContact C-N 3.3Å; G194-V196 PolarHBondContact O-N 2.93Å; V196-R198 VanDerWaalsContact C-N 3.29Å; V196-R198 PolarHBondContact O-N 2.93Å; V196-L199 WeakPolarHBondContact O-CB 3.23Å; V196-L199 PolarHBondContact O-N 3.19Å; V196-E200 PolarHBondContact O-N 3.47Å; V196-I230 HydrophobicContact CG2-CD1 3.65Å; V196-I230 HydrophobicContact CG2-CG1 3.84Å
197	C	89.6	Confident	87.1	Confident	2 Å²	2	44 Å²	44	1%	0.014	25%	0.252	C	S	.	.	H	α-helix	trans	-58.4	-41.2	178.5	-174.4	0	0	0	0	111.9	I153 L154 L193 G194 L199 E200 M201	I153-C197 VanDerWaalsContact CG2-SG 3.6Å; L154-C197 HydrophobicContact CD2-CB 4.48Å; L154-C197 HydrophobicContact CG-CB 4.42Å; L193-C197 HydrophobicContact CB-CB 4.18Å; L193-C197 WeakPolarHBondContact O-CB 3.36Å; G194-C197 PolarHBondContact O-N 3.26Å; C197-L199 VanDerWaalsContact C-N 3.34Å; C197-L199 PolarHBondContact O-N 3.26Å; C197-E200 PolarHBondContact O-N 3.08Å; C197-M201 WeakPolarHBondContact O-CB 3.16Å; C197-M201 WeakPolarHBondContact O-CG 3.3Å; C197-M201 PolarHBondContact O-N 3.47Å
198	R	89.7	Confident	87.4	Confident	84 Å²	84	40.2 Å²	40.2	32%	0.317	22%	0.222	S	C	.	.	H	α-helix	trans	-60.7	-38.9	174.4	-67.6	172.6	178.4	-149.5	-7.4	113.3	D189 G191 G194 V196 M201 M202	D189-R198 VanDerWaalsContact C-NH2 3.35Å; D189-R198 PolarHBondContact O-NH2 3.35Å; D189-R198 IonicContact OD1-NH2 2.76Å; D189-R198 IonicContact OD2-CZ 3.78Å; D189-R198 IonicContact OD2-NE 3.66Å; D189-R198 PolarHBondContact OD2-NE 3.35Å; D189-R198 IonicContact OD2-NH2 2.65Å; D189-R198 PolarHBondContact OD2-NH2 2.95Å; G191-R198 VanDerWaalsContact CA-NH2 3.26Å; G194-R198 WeakPolarHBondContact O-CG 3.46Å; G194-R198 PolarHBondContact O-N 3.49Å; V196-R198 VanDerWaalsContact C-N 3.29Å; V196-R198 PolarHBondContact O-N 2.93Å; R198-M201 HydrophobicContact CG-CE 4.42Å; R198-M202 WeakPolarHBondContact O-CB 3.32Å; R198-M202 WeakPolarHBondContact O-CG 3.39Å; R198-M202 PolarHBondContact O-N 3.47Å; R198-M202 VanDerWaalsContact O-N 3.16Å
199	L	88.7	Confident	87.6	Confident	12 Å²	12	36.6 Å²	36.6	6%	0.063	22%	0.221	C	C	.	.	H	α-helix	trans	-68.2	-46.2	177.7	-71.7	169.8	0	0	0	111.2	T195 V196 C197 M202 E203 Y222 R225	T195-L199 HydrophobicContact CG2-CD1 4.22Å; T195-L199 WeakPolarHBondContact O-CG 3.44Å; T195-L199 PolarHBondContact O-N 3.1Å; T195-L199 VanDerWaalsContact O-N 3.15Å; V196-L199 WeakPolarHBondContact O-CB 3.23Å; V196-L199 PolarHBondContact O-N 3.19Å; C197-L199 VanDerWaalsContact C-N 3.34Å; C197-L199 PolarHBondContact O-N 3.26Å; L199-M202 PolarHBondContact O-N 2.96Å; L199-E203 PolarHBondContact O-N 2.8Å; L199-Y222 WeakPolarHBondContact O-CE1 3.37Å; L199-R225 HydrophobicContact CD1-CB 4.46Å; L199-R225 HydrophobicContact CD1-CG 3.92Å; L199-R225 HydrophobicContact CD2-CG 4.26Å
200	E	89.3	Confident	87.7	Confident	35 Å²	35	38.7 Å²	38.7	16%	0.164	23%	0.231	C	C	.	.	H	α-helix	trans	-62.9	-41.8	178.3	-72.1	-69.5	149.6	0	0	112.5	L154 V157 K161 V196 C197 E203 L204	L154-E200 HydrophobicContact CD2-CB 3.75Å; L154-E200 HydrophobicContact CD2-CG 3.62Å; V157-E200 HydrophobicContact CG1-CB 4.29Å; K161-E200 IonicContact NZ-OE1 3.73Å; K161-E200 IonicContact NZ-OE2 2.76Å; K161-E200 PolarHBondContact NZ-OE2 2.83Å; V196-E200 PolarHBondContact O-N 3.47Å; C197-E200 PolarHBondContact O-N 3.08Å; E200-E203 PolarHBondContact O-N 3.24Å; E200-L204 WeakPolarHBondContact O-CB 3.4Å; E200-L204 PolarHBondContact O-N 2.87Å
201	M	91.5	Very high	88.3	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60.6	-44.7	172.3	-74.5	-168.2	-72.8	0	0	112.1	I153 L182 A185 L193 C197 R198 L204 I205	I153-M201 HydrophobicContact CD1-SD 4.1Å; I153-M201 HydrophobicContact CG2-CG 3.47Å; I153-M201 VanDerWaalsContact CG2-CG 3.47Å; I153-M201 HydrophobicContact CG2-SD 3.81Å; L182-M201 HydrophobicContact CD2-CG 4.09Å; L182-M201 HydrophobicContact CD2-SD 3.85Å; A185-M201 HydrophobicContact CB-SD 4.17Å; L193-M201 HydrophobicContact CD1-CE 3.74Å; C197-M201 WeakPolarHBondContact O-CB 3.16Å; C197-M201 WeakPolarHBondContact O-CG 3.3Å; C197-M201 PolarHBondContact O-N 3.47Å; R198-M201 HydrophobicContact CG-CE 4.42Å; M201-L204 PolarHBondContact O-N 3.33Å; M201-I205 WeakPolarHBondContact O-CD1 3.29Å; M201-I205 VanDerWaalsContact O-CG1 3.22Å; M201-I205 WeakPolarHBondContact O-CG1 3.23Å; M201-I205 PolarHBondContact O-N 2.87Å
202	M	88.3	Confident	88.8	Confident	54 Å²	54	35.6 Å²	35.6	27%	0.266	20%	0.199	S	C	.	.	H	α-helix	trans	-66.6	-40.3	179.3	-77.5	-56.3	-38.9	0	0	112.4	R198 L199 L204 I205 E206 Y222	R198-M202 WeakPolarHBondContact O-CB 3.32Å; R198-M202 WeakPolarHBondContact O-CG 3.39Å; R198-M202 PolarHBondContact O-N 3.47Å; R198-M202 VanDerWaalsContact O-N 3.16Å; L199-M202 PolarHBondContact O-N 2.96Å; M202-L204 VanDerWaalsContact C-N 3.34Å; M202-L204 PolarHBondContact O-N 2.67Å; M202-I205 PolarHBondContact O-N 3.24Å; M202-I205 HydrophobicContact SD-CD1 4.41Å; M202-E206 WeakPolarHBondContact O-CG 3.38Å; M202-E206 PolarHBondContact O-N 3.4Å; M202-Y222 HydrophobicContact CB-CE1 4.18Å
203	E	90.5	Very high	88.7	Confident	25 Å²	25	37.9 Å²	37.9	12%	0.117	21%	0.208	C	C	.	.	H	α-helix	trans	-57.6	-48.3	173.7	-171.9	-171.8	155.6	0	0	111	K161 L199 E200 E206 L207 H218 Y222	K161-E203 VanDerWaalsContact CE-CD 3.48Å; K161-E203 VanDerWaalsContact CE-OE1 3.23Å; K161-E203 WeakPolarHBondContact CE-OE1 3.4Å; K161-E203 IonicContact NZ-OE1 2.72Å; K161-E203 PolarHBondContact NZ-OE1 2.87Å; K161-E203 IonicContact NZ-OE2 3.71Å; K161-E203 PolarHBondContact NZ-OE2 3.06Å; L199-E203 PolarHBondContact O-N 2.8Å; E200-E203 PolarHBondContact O-N 3.24Å; E203-E206 PolarHBondContact O-N 3.47Å; E203-L207 WeakPolarHBondContact O-CB 3.23Å; E203-L207 PolarHBondContact O-N 2.9Å; E203-H218 WeakPolarHBondContact CA-NE2 3.42Å; E203-H218 WeakPolarHBondContact CG-CE1 3.49Å; E203-H218 PolarHBondContact O-CE1 3Å; E203-H218 PolarHBondContact O-NE2 3.2Å; E203-H218 IonicContact OE1-CE1 3.27Å; E203-H218 PolarHBondContact OE1-CE1 2.89Å; E203-Y222 HydrophobicContact CB-CD1 3.64Å; E203-Y222 HydrophobicContact CB-CD2 3.9Å; E203-Y222 HydrophobicContact CB-CE1 3.79Å; E203-Y222 HydrophobicContact CB-CE2 4.06Å; E203-Y222 HydrophobicContact CB-CG 3.7Å; E203-Y222 HydrophobicContact CG-CD1 4.15Å; E203-Y222 HydrophobicContact CG-CD2 3.61Å; E203-Y222 HydrophobicContact CG-CE2 4.09Å; E203-Y222 HydrophobicContact CG-CG 3.65Å
204	L	92.3	Very high	88.3	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.3	-41.9	-179.5	-177.7	68.7	0	0	0	112.4	V157 L160 K161 F179 L182 E200 M201 M202 E206 L207 R208 W212	V157-L204 HydrophobicContact CB-CD2 4.31Å; V157-L204 HydrophobicContact CG1-CB 4.27Å; V157-L204 HydrophobicContact CG1-CD2 4.4Å; V157-L204 HydrophobicContact CG2-CD2 3.79Å; L160-L204 HydrophobicContact CB-CD1 3.85Å; L160-L204 HydrophobicContact CB-CD2 4.22Å; L160-L204 HydrophobicContact CD1-CD2 3.86Å; K161-L204 HydrophobicContact CG-CD1 4.24Å; F179-L204 HydrophobicContact CE1-CD2 4.48Å; F179-L204 HydrophobicContact CE1-CG 4.04Å; F179-L204 HydrophobicContact CZ-CD1 4.25Å; F179-L204 HydrophobicContact CZ-CD2 4.02Å; F179-L204 HydrophobicContact CZ-CG 3.76Å; L182-L204 HydrophobicContact CD1-CD2 4.01Å; E200-L204 WeakPolarHBondContact O-CB 3.4Å; E200-L204 PolarHBondContact O-N 2.87Å; M201-L204 PolarHBondContact O-N 3.33Å; M202-L204 VanDerWaalsContact C-N 3.34Å; M202-L204 PolarHBondContact O-N 2.67Å; L204-E206 VanDerWaalsContact C-N 3.31Å; L204-E206 PolarHBondContact O-N 2.91Å; L204-L207 PolarHBondContact O-N 2.86Å; L204-R208 PolarHBondContact O-N 2.96Å; L204-W212 HydrophobicContact CD1-CH2 4.25Å; L204-W212 HydrophobicContact CD1-CZ3 3.79Å
205	I	92.4	Very high	88	Confident	20 Å²	20	42.4 Å²	42.4	10%	0.103	23%	0.23	C	C	.	.	H	α-helix	trans	-60.3	-42.1	175.8	-70.8	161.5	0	0	0	110.8	F179 L182 R183 M201 M202 A209	F179-I205 HydrophobicContact CD1-CG1 4.17Å; F179-I205 HydrophobicContact CE1-CG1 4.41Å; L182-I205 HydrophobicContact CB-CD1 4.41Å; R183-I205 HydrophobicContact CG-CD1 3.82Å; R183-I205 HydrophobicContact CG-CG1 4.4Å; R183-I205 HydrophobicContact CG-CG2 4.49Å; M201-I205 WeakPolarHBondContact O-CD1 3.29Å; M201-I205 VanDerWaalsContact O-CG1 3.22Å; M201-I205 WeakPolarHBondContact O-CG1 3.23Å; M201-I205 PolarHBondContact O-N 2.87Å; M202-I205 PolarHBondContact O-N 3.24Å; M202-I205 HydrophobicContact SD-CD1 4.41Å; I205-A209 WeakPolarHBondContact O-CB 3.47Å; I205-A209 PolarHBondContact O-N 2.9Å
206	E	89.8	Confident	87.5	Confident	28 Å²	28	45.6 Å²	45.6	13%	0.131	25%	0.245	C	C	.	.	H	α-helix	trans	-71.7	-39.8	176.3	-71.4	-174.8	169	0	0	112.8	M202 E203 L204 R208 A209 M210 H218 Y222 R394	M202-E206 WeakPolarHBondContact O-CG 3.38Å; M202-E206 PolarHBondContact O-N 3.4Å; E203-E206 PolarHBondContact O-N 3.47Å; L204-E206 VanDerWaalsContact C-N 3.31Å; L204-E206 PolarHBondContact O-N 2.91Å; E206-R208 PolarHBondContact O-N 3.36Å; E206-A209 WeakPolarHBondContact O-CB 3.49Å; E206-A209 PolarHBondContact O-N 2.94Å; E206-A209 VanDerWaalsContact O-N 3.14Å; E206-M210 HydrophobicContact CB-CE 4Å; E206-M210 WeakPolarHBondContact O-CG 3.45Å; E206-M210 PolarHBondContact O-N 2.66Å; E206-H218 WeakPolarHBondContact CB-NE2 3.34Å; E206-H218 IonicContact OE2-CD2 2.7Å; E206-H218 PolarHBondContact OE2-CD2 3.33Å; E206-H218 IonicContact OE2-NE2 3.19Å; E206-Y222 PolarHBondContact OE1-OH 3.38Å; E206-Y222 VanDerWaalsContact OE2-CE2 3.25Å; E206-Y222 WeakPolarHBondContact OE2-CE2 3.15Å; E206-Y222 PolarHBondContact OE2-OH 2.82Å; E206-R394 IonicContact OE1-CZ 3.18Å; E206-R394 IonicContact OE1-NH1 3.63Å; E206-R394 PolarHBondContact OE1-NH1 2.98Å; E206-R394 IonicContact OE2-CZ 2.88Å; E206-R394 IonicContact OE2-NH1 3.43Å; E206-R394 PolarHBondContact OE2-NH1 3.03Å
207	L	90	Very high	87	Confident	13 Å²	13	46.5 Å²	46.5	7%	0.068	25%	0.253	C	S	.	.	H	α-helix	trans	-60.1	-44.6	177.1	-179.8	63.9	0	0	0	111.4	K161 E203 L204 A209 M210 W212 P214 H218	K161-L207 HydrophobicContact CG-CD2 4.04Å; E203-L207 WeakPolarHBondContact O-CB 3.23Å; E203-L207 PolarHBondContact O-N 2.9Å; L204-L207 PolarHBondContact O-N 2.86Å; L207-A209 VanDerWaalsContact C-N 3.34Å; L207-A209 PolarHBondContact O-N 3.11Å; L207-M210 PolarHBondContact O-N 2.77Å; L207-W212 HydrophobicContact CD2-CE3 4.29Å; L207-W212 HydrophobicContact CG-CE3 4.27Å; L207-W212 WeakPolarHBondContact O-CA 3.39Å; L207-W212 PolarHBondContact O-N 3.23Å; L207-P214 HydrophobicContact CD1-CB 4.35Å; L207-H218 PolarHBondContact N-NE2 2.92Å
208	R	91.9	Very high	86.3	Confident	34 Å²	34	46.5 Å²	46.5	13%	0.128	25%	0.253	C	S	.	.	H	α-helix	trans	-64.1	-39.1	174	-176	170.8	-176.8	-123.6	-11.5	111.9	E168 N176 F179 L204 E206 M210 G211 W212	E168-R208 IonicContact OE1-CZ 2.8Å; E168-R208 IonicContact OE1-NE 2.66Å; E168-R208 IonicContact OE1-NH2 2.77Å; E168-R208 PolarHBondContact OE1-NH2 2.91Å; E168-R208 IonicContact OE2-CZ 3.22Å; E168-R208 IonicContact OE2-NE 2.68Å; E168-R208 PolarHBondContact OE2-NE 2.85Å; E168-R208 IonicContact OE2-NH2 3.39Å; E168-R208 PolarHBondContact OE2-NH2 2.68Å; N176-R208 PolarHBondContact OD1-NH1 2.78Å; N176-R208 VanDerWaalsContact OD1-NH1 3.14Å; N176-R208 PolarHBondContact OD1-NH2 3.39Å; F179-R208 HydrophobicContact CD1-CB 4.27Å; F179-R208 HydrophobicContact CE1-CB 3.5Å; F179-R208 VanDerWaalsContact CE1-CB 3.5Å; F179-R208 VanDerWaalsContact CE1-CD 3.44Å; F179-R208 HydrophobicContact CE1-CG 4.06Å; F179-R208 VanDerWaalsContact CE2-CD 3.49Å; F179-R208 HydrophobicContact CZ-CB 3.76Å; F179-R208 HydrophobicContact CZ-CG 4.15Å; L204-R208 PolarHBondContact O-N 2.96Å; E206-R208 PolarHBondContact O-N 3.36Å; R208-M210 PolarHBondContact O-N 2.83Å; R208-G211 PolarHBondContact O-N 3.23Å; R208-W212 HydrophobicContact CB-CD2 4.42Å; R208-W212 HydrophobicContact CB-CH2 4.21Å; R208-W212 HydrophobicContact CB-CZ2 3.97Å; R208-W212 HydrophobicContact CG-CH2 4.42Å; R208-W212 HydrophobicContact CG-CZ2 3.72Å
209	A	89.1	Confident	85.7	Confident	59 Å²	59	44.1 Å²	44.1	49%	0.488	25%	0.25	S	C	.	.	H	α-helix	trans	-66.3	-22.6	176.5	0	0	0	0	0	113.6	I205 E206 L207 G211 I301	I205-A209 WeakPolarHBondContact O-CB 3.47Å; I205-A209 PolarHBondContact O-N 2.9Å; E206-A209 WeakPolarHBondContact O-CB 3.49Å; E206-A209 PolarHBondContact O-N 2.94Å; E206-A209 VanDerWaalsContact O-N 3.14Å; L207-A209 VanDerWaalsContact C-N 3.34Å; L207-A209 PolarHBondContact O-N 3.11Å; A209-G211 PolarHBondContact O-N 3.28Å; A209-I301 HydrophobicContact CB-CD1 3.47Å; A209-I301 VanDerWaalsContact CB-CD1 3.47Å; A209-I301 HydrophobicContact CB-CG1 4.22Å
210	M	86.4	Confident	85.1	Confident	56 Å²	56	51.8 Å²	51.8	28%	0.276	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	13	170	-64.5	-177.2	-130.6	0	0	113.2	E206 L207 R208 K213 N215 H218	E206-M210 HydrophobicContact CB-CE 4Å; E206-M210 WeakPolarHBondContact O-CG 3.45Å; E206-M210 PolarHBondContact O-N 2.66Å; L207-M210 PolarHBondContact O-N 2.77Å; R208-M210 PolarHBondContact O-N 2.83Å; M210-K213 PolarHBondContact O-N 2.72Å; M210-N215 HydrophobicContact SD-CB 3.98Å; M210-H218 HydrophobicContact CE-CB 3.97Å; M210-H218 WeakPolarHBondContact CE-CD2 3.41Å
211	G	88	Confident	84.5	Confident	41 Å²	41	54.1 Å²	54.1	42%	0.423	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.8	35.7	-178.8	0	0	0	0	0	112.9	R208 A209 K213	R208-G211 PolarHBondContact O-N 3.23Å; A209-G211 PolarHBondContact O-N 3.28Å; G211-K213 PolarHBondContact O-N 2.99Å; G211-K213 VanDerWaalsContact O-N 3.16Å
212	W	90.6	Very high	84	Confident	27 Å²	27	54.5 Å²	54.5	10%	0.102	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.8	10.1	-176.9	-56.4	100.6	0	0	0	115.3	L160 G164 L165 E168 L175 F179 L204 L207 R208	L160-W212 HydrophobicContact CB-CH2 4.25Å; L160-W212 HydrophobicContact CB-CZ3 4.38Å; L160-W212 HydrophobicContact CD2-CH2 4.34Å; L160-W212 VanDerWaalsContact O-CZ3 3.22Å; L160-W212 WeakPolarHBondContact O-CZ3 3.44Å; G164-W212 VanDerWaalsContact C-CE2 3.48Å; L165-W212 HydrophobicContact CB-CB 4.04Å; L165-W212 HydrophobicContact CB-CG 4.21Å; L165-W212 HydrophobicContact CD1-CB 4.39Å; E168-W212 PolarHBondContact OE2-NE1 3.43Å; L175-W212 HydrophobicContact CD1-CZ2 4.5Å; L175-W212 HydrophobicContact CD2-CZ2 4.35Å; F179-W212 HydrophobicContact CE2-CH2 4Å; F179-W212 HydrophobicContact CE2-CZ2 4.27Å; F179-W212 AromaticContact CZ-CH2 3.64Å; F179-W212 HydrophobicContact CZ-CH2 3.64Å; F179-W212 HydrophobicContact CZ-CZ2 4.13Å; F179-W212 HydrophobicContact CZ-CZ3 4.49Å; L204-W212 HydrophobicContact CD1-CH2 4.25Å; L204-W212 HydrophobicContact CD1-CZ3 3.79Å; L207-W212 HydrophobicContact CD2-CE3 4.29Å; L207-W212 HydrophobicContact CG-CE3 4.27Å; L207-W212 WeakPolarHBondContact O-CA 3.39Å; L207-W212 PolarHBondContact O-N 3.23Å; R208-W212 HydrophobicContact CB-CD2 4.42Å; R208-W212 HydrophobicContact CB-CH2 4.21Å; R208-W212 HydrophobicContact CB-CZ2 3.97Å; R208-W212 HydrophobicContact CG-CH2 4.42Å; R208-W212 HydrophobicContact CG-CZ2 3.72Å
213	K	83.8	Confident	83.3	Confident	158 Å²	158	57.9 Å²	57.9	69%	0.687	30%	0.304	S	S	*	.			trans	-87.2	118.4	175.5	-63.4	-175.7	179.1	-175.9	0	110.3	M210 G211	M210-K213 PolarHBondContact O-N 2.72Å; G211-K213 PolarHBondContact O-N 2.99Å; G211-K213 VanDerWaalsContact O-N 3.16Å
214	P	77.2	Confident	81.9	Confident	102 Å²	102	65.3 Å²	65.3	66%	0.662	34%	0.335	S	S	*	.			trans	-68.2	143.5	174.3	29.2	-34	0	0	0	110.4	L207	L207-P214 HydrophobicContact CD1-CB 4.35Å
215	N	77.4	Confident	80.5	Confident	36 Å²	36	69.9 Å²	69.9	19%	0.193	35%	0.353	C	S	.	.			trans	-120.4	133.5	176.8	179.3	-32.8	0	0	0	108.7	M210 S217 H218 S219 Y298	M210-N215 HydrophobicContact SD-CB 3.98Å; N215-S217 VanDerWaalsContact CG-OG 3.3Å; N215-S217 PolarHBondContact O-N 3.17Å; N215-S217 VanDerWaalsContact O-N 3.14Å; N215-S217 PolarHBondContact OD1-N 3.1Å; N215-S217 PolarHBondContact OD1-OG 3.2Å; N215-H218 HydrophobicContact CB-CB 4.1Å; N215-H218 WeakPolarHBondContact O-CA 3.34Å; N215-H218 WeakPolarHBondContact O-CB 3.29Å; N215-H218 PolarHBondContact O-N 2.81Å; N215-S219 PolarHBondContact O-N 3.41Å; N215-S219 PolarHBondContact O-OG 2.95Å; N215-Y298 PolarHBondContact ND2-OH 2.88Å; N215-Y298 VanDerWaalsContact ND2-OH 3.13Å
216	L	74.3	Confident	79	Confident	119 Å²	119	69.9 Å²	69.9	62%	0.623	36%	0.355	S	S	*	.	H	α-helix	trans	-53.9	-37.1	-177.8	-175.3	64.7	0	0	0	112.9	R220	L216-R220 HydrophobicContact CD1-CG 4.41Å; L216-R220 VanDerWaalsContact O-CB 3.3Å; L216-R220 WeakPolarHBondContact O-CB 3.39Å; L216-R220 VanDerWaalsContact O-CG 3.28Å; L216-R220 WeakPolarHBondContact O-CG 3.3Å; L216-R220 PolarHBondContact O-N 2.95Å
217	S	75.8	Confident	77.1	Confident	71 Å²	71	77.6 Å²	77.6	50%	0.497	38%	0.384	S	S	.	.	H	α-helix	trans	-66.7	-40.5	176.4	63.6	0	0	0	0	112.8	N215 Y221	N215-S217 VanDerWaalsContact CG-OG 3.3Å; N215-S217 PolarHBondContact O-N 3.17Å; N215-S217 VanDerWaalsContact O-N 3.14Å; N215-S217 PolarHBondContact OD1-N 3.1Å; N215-S217 PolarHBondContact OD1-OG 3.2Å; S217-Y221 PolarHBondContact O-N 2.71Å
218	H	75.5	Confident	74.9	Confident	2 Å²	2	79 Å²	79	1%	0.009	40%	0.401	C	S	.	.	H	α-helix	trans	-66.3	-54.3	176.4	167.6	-88.8	0	0	0	110.4	E203 E206 L207 M210 N215 R220 Y221 Y222	E203-H218 WeakPolarHBondContact CA-NE2 3.42Å; E203-H218 WeakPolarHBondContact CG-CE1 3.49Å; E203-H218 PolarHBondContact O-CE1 3Å; E203-H218 PolarHBondContact O-NE2 3.2Å; E203-H218 IonicContact OE1-CE1 3.27Å; E203-H218 PolarHBondContact OE1-CE1 2.89Å; E206-H218 WeakPolarHBondContact CB-NE2 3.34Å; E206-H218 IonicContact OE2-CD2 2.7Å; E206-H218 PolarHBondContact OE2-CD2 3.33Å; E206-H218 IonicContact OE2-NE2 3.19Å; L207-H218 PolarHBondContact N-NE2 2.92Å; M210-H218 HydrophobicContact CE-CB 3.97Å; M210-H218 WeakPolarHBondContact CE-CD2 3.41Å; N215-H218 HydrophobicContact CB-CB 4.1Å; N215-H218 WeakPolarHBondContact O-CA 3.34Å; N215-H218 WeakPolarHBondContact O-CB 3.29Å; N215-H218 PolarHBondContact O-N 2.81Å; H218-R220 VanDerWaalsContact C-N 3.34Å; H218-R220 PolarHBondContact O-N 2.99Å; H218-Y221 PolarHBondContact O-N 2.6Å; H218-Y221 VanDerWaalsContact O-N 3.1Å; H218-Y222 AromaticContact CD2-CD2 3.91Å; H218-Y222 AromaticContact CD2-CE2 3.55Å; H218-Y222 AromaticContact NE2-CE2 3.64Å; H218-Y222 WeakPolarHBondContact O-CD2 3.31Å; H218-Y222 PolarHBondContact O-N 3.44Å
219	S	76.3	Confident	72.6	Confident	35 Å²	35	78.8 Å²	78.8	25%	0.245	41%	0.405	C	S	.	.	H	α-helix	trans	-59.6	-41.4	180	-54.7	0	0	0	0	112.2	N215 Y221 Y222 M223	N215-S219 PolarHBondContact O-N 3.41Å; N215-S219 PolarHBondContact O-OG 2.95Å; S219-Y221 PolarHBondContact O-N 2.85Å; S219-Y222 PolarHBondContact O-N 3.31Å; S219-M223 WeakPolarHBondContact O-CB 3.18Å; S219-M223 PolarHBondContact O-N 2.99Å
220	R	76.3	Confident	70.7	Confident	173 Å²	173	79.9 Å²	79.9	65%	0.653	40%	0.402	S	S	*	.	H	α-helix	trans	-62.1	-39.5	175.3	-79.1	-177.1	177.4	-168.6	1.7	113.1	L216 H218 K224	L216-R220 HydrophobicContact CD1-CG 4.41Å; L216-R220 VanDerWaalsContact O-CB 3.3Å; L216-R220 WeakPolarHBondContact O-CB 3.39Å; L216-R220 VanDerWaalsContact O-CG 3.28Å; L216-R220 WeakPolarHBondContact O-CG 3.3Å; L216-R220 PolarHBondContact O-N 2.95Å; H218-R220 VanDerWaalsContact C-N 3.34Å; H218-R220 PolarHBondContact O-N 2.99Å; R220-K224 VanDerWaalsContact O-CB 3.28Å; R220-K224 WeakPolarHBondContact O-CB 3.26Å; R220-K224 PolarHBondContact O-N 2.96Å; R220-K224 VanDerWaalsContact O-N 3.12Å
221	Y	77.7	Confident	68.5	Low	83 Å²	83	80.5 Å²	80.5	33%	0.325	42%	0.416	S	S	.	.	H	α-helix	trans	-65.6	-45.6	179.8	174.6	-96.2	0	0	0	112.2	S217 H218 S219	S217-Y221 PolarHBondContact O-N 2.71Å; H218-Y221 PolarHBondContact O-N 2.6Å; H218-Y221 VanDerWaalsContact O-N 3.1Å; S219-Y221 PolarHBondContact O-N 2.85Å
222	Y	81.2	Confident	66.1	Low	9 Å²	9	84.3 Å²	84.3	4%	0.035	43%	0.427	C	S	.	.	H	α-helix	trans	-73.4	-46.2	179.8	-72.1	-78.3	0	0	0	111.8	L199 M202 E203 E206 H218 S219 K224 R225 S226	L199-Y222 WeakPolarHBondContact O-CE1 3.37Å; M202-Y222 HydrophobicContact CB-CE1 4.18Å; E203-Y222 HydrophobicContact CB-CD1 3.64Å; E203-Y222 HydrophobicContact CB-CD2 3.9Å; E203-Y222 HydrophobicContact CB-CE1 3.79Å; E203-Y222 HydrophobicContact CB-CE2 4.06Å; E203-Y222 HydrophobicContact CB-CG 3.7Å; E203-Y222 HydrophobicContact CG-CD1 4.15Å; E203-Y222 HydrophobicContact CG-CD2 3.61Å; E203-Y222 HydrophobicContact CG-CE2 4.09Å; E203-Y222 HydrophobicContact CG-CG 3.65Å; E206-Y222 PolarHBondContact OE1-OH 3.38Å; E206-Y222 VanDerWaalsContact OE2-CE2 3.25Å; E206-Y222 WeakPolarHBondContact OE2-CE2 3.15Å; E206-Y222 PolarHBondContact OE2-OH 2.82Å; H218-Y222 AromaticContact CD2-CD2 3.91Å; H218-Y222 AromaticContact CD2-CE2 3.55Å; H218-Y222 AromaticContact NE2-CE2 3.64Å; H218-Y222 WeakPolarHBondContact O-CD2 3.31Å; H218-Y222 PolarHBondContact O-N 3.44Å; S219-Y222 PolarHBondContact O-N 3.31Å; Y222-K224 VanDerWaalsContact C-N 3.31Å; Y222-K224 PolarHBondContact O-N 3.21Å; Y222-R225 CarbonylContact O-C 3.54Å; Y222-R225 PolarHBondContact O-N 3.39Å; Y222-S226 PolarHBondContact O-N 3.01Å; Y222-S226 PolarHBondContact O-OG 2.96Å
223	M	73.3	Confident	63.8	Low	124 Å²	124	88.5 Å²	88.5	61%	0.611	45%	0.448	S	S	*	.	H	α-helix	trans	-57.5	-39.7	178.1	-172.5	179	-68.6	0	0	112.9	S219 R225 S226 Y227	S219-M223 WeakPolarHBondContact O-CB 3.18Å; S219-M223 PolarHBondContact O-N 2.99Å; M223-R225 PolarHBondContact O-N 2.73Å; M223-S226 PolarHBondContact O-OG 3.27Å; M223-Y227 WeakPolarHBondContact O-CD2 3.09Å
224	K	60.9	Low	61.6	Low	181 Å²	181	88.6 Å²	88.6	79%	0.787	45%	0.451	S	S	*	.	H	α-helix	trans	-67.6	-19.1	176.3	-169.6	169.9	-176.7	175.2	0	113.3	R220 Y222	R220-K224 VanDerWaalsContact O-CB 3.28Å; R220-K224 WeakPolarHBondContact O-CB 3.26Å; R220-K224 PolarHBondContact O-N 2.96Å; R220-K224 VanDerWaalsContact O-N 3.12Å; Y222-K224 VanDerWaalsContact C-N 3.31Å; Y222-K224 PolarHBondContact O-N 3.21Å
225	R	63.6	Low	60	Low	96 Å²	96	91.1 Å²	91.1	36%	0.362	46%	0.458	S	S	.	.	H	α-helix	trans	-111.9	-27.4	-171.8	-162.7	-179	-78.6	-97.5	8.7	114.1	L199 Y222 M223 Y227 S229	L199-R225 HydrophobicContact CD1-CB 4.46Å; L199-R225 HydrophobicContact CD1-CG 3.92Å; L199-R225 HydrophobicContact CD2-CG 4.26Å; Y222-R225 CarbonylContact O-C 3.54Å; Y222-R225 PolarHBondContact O-N 3.39Å; M223-R225 PolarHBondContact O-N 2.73Å; R225-Y227 VanDerWaalsContact C-N 3.34Å; R225-S229 PolarHBondContact O-N 2.91Å
226	S	59.1	Low	58.1	Low	21 Å²	21	95.6 Å²	95.6	15%	0.147	48%	0.482	C	S	.	.	H	α-helix	trans	-61.4	-42	173.6	49.4	0	0	0	0	111.4	Y222 M223	Y222-S226 PolarHBondContact O-N 3.01Å; Y222-S226 PolarHBondContact O-OG 2.96Å; M223-S226 PolarHBondContact O-OG 3.27Å
227	Y	50.3	Low	56.4	Low	189 Å²	189	95 Å²	95	74%	0.741	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-34.3	174	-61.5	-79.7	0	0	0	113.6	M223 R225 S229	M223-Y227 WeakPolarHBondContact O-CD2 3.09Å; R225-Y227 VanDerWaalsContact C-N 3.34Å; Y227-S229 PolarHBondContact O-N 3.49Å
228	G	43.9	Very low	54.5	Low	42 Å²	42	95.3 Å²	95.3	43%	0.433	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-16.2	-169.4	0	0	0	0	0	116.9
229	S	44.9	Very low	52.5	Low	31 Å²	31	102.8 Å²	102.8	22%	0.217	53%	0.534	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-11.5	-174.1	-161.2	0	0	0	0	114.9	R225 Y227	R225-S229 PolarHBondContact O-N 2.91Å; Y227-S229 PolarHBondContact O-N 3.49Å
230	I	48.1	Very low	50.3	Low	81 Å²	81	104.9 Å²	104.9	42%	0.415	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.7	-48.5	-173.6	-55	173.2	0	0	0	110	V196 N232 Q233	V196-I230 HydrophobicContact CG2-CD1 3.65Å; V196-I230 HydrophobicContact CG2-CG1 3.84Å; I230-N232 PolarHBondContact O-N 2.79Å; I230-Q233 PolarHBondContact O-N 2.93Å
231	A	39.7	Very low	48.4	Very low	70 Å²	70	107.7 Å²	107.7	58%	0.579	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	-7.8	-175.9	0	0	0	0	0	116.2
232	N	38.9	Very low	46.4	Very low	120 Å²	120	112.2 Å²	112.2	64%	0.642	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116	3.7	-177.2	-68.6	-76.4	0	0	0	113.9	I230	I230-N232 PolarHBondContact O-N 2.79Å
233	Q	41.8	Very low	44.3	Very low	116 Å²	116	116.7 Å²	116.7	54%	0.542	63%	0.63	S	S	.	*	T	Hydrogen-bonded Turn	trans	-108.8	-18.8	177.5	-78.2	-170.8	-30.1	0	0	114.5	T195 I230	T195-Q233 PolarHBondContact OG1-OE1 3.34Å; I230-Q233 PolarHBondContact O-N 2.93Å
234	E	38.2	Very low	42.3	Very low	160 Å²	160	116.2 Å²	116.2	75%	0.748	63%	0.634	S	S	*	*	S	Bend	trans	-92.8	-9.7	-180	-74.9	179.9	122.7	0	0	115.1
235	L	43.5	Very low	41.1	Very low	154 Å²	154	115 Å²	115	81%	0.806	64%	0.636	S	S	*	*	S	Bend	trans	-99.4	5.3	-179	-78.2	168.7	0	0	0	115.1
236	N	36.8	Very low	39.6	Very low	131 Å²	131	114.3 Å²	114.3	70%	0.701	65%	0.651	S	S	*	*	S	Bend	trans	-121.8	29.4	178	-69.8	-65.1	0	0	0	112.2
237	S	38.8	Very low	38.4	Very low	107 Å²	107	119.9 Å²	119.9	75%	0.748	68%	0.679	S	S	*	*	S	Bend	trans	-134.8	17	-177.7	-59.2	0	0	0	0	113.8
238	A	35.3	Very low	37.6	Very low	77 Å²	77	118.6 Å²	118.6	64%	0.636	68%	0.679	S	S	*	*	S	Bend	trans	-127.9	158.8	168.6	0	0	0	0	0	109.1
239	D	34.6	Very low	37.1	Very low	159 Å²	159	126 Å²	126	85%	0.85	70%	0.7	S	S	*	*			trans	72.6	56.8	174.3	-53.9	-25.4	0	0	0	117.7	Y241	D239-Y241 PolarHBondContact O-N 3.13Å
240	G	30.3	Very low	36.8	Very low	78 Å²	78	129.6 Å²	129.6	80%	0.804	72%	0.723	S	S	*	*			trans	-85.8	71.3	155.6	0	0	0	0	0	112.9
241	Y	36.2	Very low	36.1	Very low	232 Å²	232	131.2 Å²	131.2	91%	0.91	74%	0.737	S	S	*	*			trans	-134.9	124.9	165.3	-86.5	-76.6	0	0	0	112.4	D239	D239-Y241 PolarHBondContact O-N 3.13Å
242	H	34.2	Very low	36	Very low	179 Å²	179	131.3 Å²	131.3	83%	0.829	74%	0.737	S	S	*	*			trans	-103	125.4	-172.4	-175	-65.9	0	0	0	110
243	S	37.5	Very low	36.1	Very low	103 Å²	103	131.5 Å²	131.5	72%	0.72	75%	0.745	S	S	*	*			trans	-178.2	134.9	144.2	-80.2	0	0	0	0	112.5
244	T	31.8	Very low	36	Very low	114 Å²	114	132.8 Å²	132.8	70%	0.699	75%	0.751	S	S	*	*			trans	-8.2	135.1	149.4	43.6	0	0	0	0	116.3
245	D	34.7	Very low	35.7	Very low	156 Å²	156	131.1 Å²	131.1	83%	0.834	76%	0.757	S	S	*	*				-159.7	-171.9	64.3	-122.1	-52	0	0	0	115.3
246	A	32.2	Very low	35.4	Very low	80 Å²	80	127.9 Å²	127.9	66%	0.661	75%	0.753	S	S	*	*			trans	-73.2	166.5	-162.2	0	0	0	0	0	119.4
247	D	34.9	Very low	35.3	Very low	138 Å²	138	126.5 Å²	126.5	74%	0.738	75%	0.751	S	S	*	*			trans	111.3	128.1	137.1	-103.7	-44.7	0	0	0	122.8
248	Q	33.4	Very low	35.2	Very low	162 Å²	162	126.5 Å²	126.5	76%	0.757	75%	0.748	S	S	*	*			trans	69.5	93	153	-91.6	148.9	72.5	0	0	124.5
249	F	32.9	Very low	35.1	Very low	198 Å²	198	132.5 Å²	132.5	87%	0.868	76%	0.76	S	S	*	*				-8.9	159.4	125.8	-80	-74.9	0	0	0	119.1
250	P	38.7	Very low	35	Very low	106 Å²	106	128.3 Å²	128.3	69%	0.688	76%	0.755	S	S	*	*			cis	-153.7	163.8	45.5	44.9	-23.9	0	0	0	121.8
251	T	33.5	Very low	35	Very low	115 Å²	115	131.3 Å²	131.3	71%	0.706	76%	0.757	S	S	*	*			trans	42	129.5	146.8	51.6	0	0	0	0	122
252	A	37.6	Very low	35	Very low	72 Å²	72	125.7 Å²	125.7	60%	0.595	75%	0.747	S	S	*	*				69.7	145.1	64.2	0	0	0	0	0	113	E254	A252-E254 HydrophobicContact CB-CB 4.32Å
253	P	40.3	Very low	35	Very low	125 Å²	125	121.8 Å²	121.8	81%	0.812	75%	0.746	S	S	*	*				-124.9	150.6	61.9	38.6	-27.6	0	0	0	113
254	E	39.5	Very low	34.7	Very low	143 Å²	143	123.3 Å²	123.3	67%	0.668	75%	0.745	S	S	*	*			cis	74.5	97.4	26.8	-162.5	172.4	177.3	0	0	116.5	A252	A252-E254 HydrophobicContact CB-CB 4.32Å
255	S	33.7	Very low	34.9	Very low	125 Å²	125	124.3 Å²	124.3	87%	0.874	75%	0.746	S	S	*	*			trans	-168.1	130.7	140.3	-78.8	0	0	0	0	107.8
256	A	36.3	Very low	35.1	Very low	86 Å²	86	122.4 Å²	122.4	71%	0.711	74%	0.742	S	S	*	*	S	Bend	cis	-169.6	176.2	-17.8	0	0	0	0	0	105.8
257	P	35.7	Very low	35.4	Very low	102 Å²	102	127.6 Å²	127.6	66%	0.662	75%	0.75	S	S	*	*			cis	-119.6	157.3	-17.9	37.2	-23.7	0	0	0	112.9
258	P	36.5	Very low	35.4	Very low	106 Å²	106	125.2 Å²	125.2	69%	0.688	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-82.2	132.1	172.7	32.7	-32.1	0	0	0	111.8
259	F	32.2	Very low	35.1	Very low	204 Å²	204	127.1 Å²	127.1	90%	0.895	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-85.4	131.8	161.4	-87.2	-86	0	0	0	109.6
260	G	32.9	Very low	35.1	Very low	71 Å²	71	125.6 Å²	125.6	73%	0.732	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-67.6	135.9	-158.5	0	0	0	0	0	116.1	V262	G260-V262 PolarHBondContact O-N 3.37Å
261	T	31	Very low	34.5	Very low	140 Å²	140	130.3 Å²	130.3	86%	0.859	77%	0.766	S	S	*	*			trans	-68.1	110.4	159.1	-62.6	0	0	0	0	109.2
262	V	35.5	Very low	34.5	Very low	115 Å²	115	129.3 Å²	129.3	70%	0.697	77%	0.769	S	S	*	*			trans	-85.8	121.1	160.2	-179.8	0	0	0	0	107.5	G260 I264	G260-V262 PolarHBondContact O-N 3.37Å; V262-I264 HydrophobicContact CG1-CG1 4Å; V262-I264 PolarHBondContact O-N 3.02Å
263	A	34	Very low	34.3	Very low	96 Å²	96	129.9 Å²	129.9	79%	0.793	78%	0.783	S	S	*	*			trans	-69.3	116	170.6	0	0	0	0	0	109.1
264	I	32.2	Very low	33.9	Very low	136 Å²	136	128 Å²	128	70%	0.697	79%	0.786	S	S	*	*			trans	-113.8	112.2	176.2	-63.6	178.3	0	0	0	107.9	V262	V262-I264 HydrophobicContact CG1-CG1 4Å; V262-I264 PolarHBondContact O-N 3.02Å
265	N	36.1	Very low	33.5	Very low	135 Å²	135	125.8 Å²	125.8	72%	0.722	79%	0.792	S	S	*	*			trans	-55.7	143.9	167.2	-75.3	-48.9	0	0	0	109.6	F267	N265-F267 PolarHBondContact O-N 3Å
266	P	38.6	Very low	33.8	Very low	116 Å²	116	125.4 Å²	125.4	75%	0.753	79%	0.786	S	S	*	*	S	Bend	trans	-71.7	24.9	-175.3	30.3	-36.3	0	0	0	114.8
267	F	37.6	Very low	33.6	Very low	189 Å²	189	128.7 Å²	128.7	83%	0.829	79%	0.79	S	S	*	*	S	Bend	trans	-142.6	64.8	-175.6	-64.1	-74.7	0	0	0	112.7	N265	N265-F267 PolarHBondContact O-N 3Å
268	A	34.4	Very low	33.6	Very low	88 Å²	88	127.8 Å²	127.8	73%	0.727	79%	0.792	S	S	*	*			trans	-172.2	121.7	151.4	0	0	0	0	0	112.5
269	F	28.6	Very low	33.4	Very low	202 Å²	202	128.4 Å²	128.4	89%	0.886	80%	0.798	S	S	*	*			trans	-87.3	131.2	159.8	-86	-113.4	0	0	0	109.3
270	N	32.1	Very low	33.5	Very low	166 Å²	166	123.1 Å²	123.1	89%	0.888	79%	0.793	S	S	*	*				177.2	167.3	118.8	-98.3	-12.4	0	0	0	115.3
271	F	27.2	Very low	33.5	Very low	205 Å²	205	124.9 Å²	124.9	90%	0.899	80%	0.801	S	S	*	*			trans	-96.7	151.3	-160.2	-143.3	-106.9	0	0	0	113.8
272	A	33.5	Very low	33.6	Very low	93 Å²	93	125 Å²	125	77%	0.769	80%	0.796	S	S	*	*			trans	153.4	133.2	130.7	0	0	0	0	0	116.5
273	G	32.8	Very low	33.6	Very low	85 Å²	85	127.8 Å²	127.8	88%	0.876	81%	0.806	S	S	*	*			trans	74.5	136.3	164.1	0	0	0	0	0	116.6
274	G	30.9	Very low	33.6	Very low	85 Å²	85	127.9 Å²	127.9	88%	0.876	80%	0.8	S	S	*	*			cis	106.3	126.9	23.6	0	0	0	0	0	109.6
275	A	32.3	Very low	33.7	Very low	97 Å²	97	126.8 Å²	126.8	80%	0.802	81%	0.805	S	S	*	*			cis	-156.8	175.1	4.9	0	0	0	0	0	110.7
276	P	38.8	Very low	33.6	Very low	116 Å²	116	128.4 Å²	128.4	75%	0.753	81%	0.813	S	S	*	*			trans	-89.8	-163.7	-174.5	29.2	-16.9	0	0	0	113.7
277	I	32.7	Very low	33.4	Very low	155 Å²	155	127.9 Å²	127.9	80%	0.795	81%	0.809	S	S	*	*				-177.2	155.5	58.3	-4.3	169.9	0	0	0	114.5
278	A	34.9	Very low	33	Very low	84 Å²	84	125 Å²	125	69%	0.694	81%	0.807	S	S	*	*			trans	66.8	164.1	138.1	0	0	0	0	0	121.6
279	S	33.3	Very low	32.8	Very low	118 Å²	118	127.1 Å²	127.1	83%	0.825	81%	0.812	S	S	*	*			cis	177.3	175.5	-24.6	-85	0	0	0	0	108.6
280	A	33.3	Very low	32.9	Very low	94 Å²	94	122 Å²	122	78%	0.777	81%	0.807	S	S	*	*			cis	178.2	138.4	-40.7	0	0	0	0	0	108.7
281	A	34.8	Very low	32.8	Very low	108 Å²	108	117.3 Å²	117.3	89%	0.893	80%	0.798	S	S	*	*			trans	-164.9	169.1	175.3	0	0	0	0	0	114.3
282	D	32.3	Very low	33.1	Very low	143 Å²	143	117.5 Å²	117.5	77%	0.765	80%	0.804	S	S	*	*				-163.8	151.3	-68.7	-157.4	-10	0	0	0	108.4
283	L	35.5	Very low	32.9	Very low	173 Å²	173	119.1 Å²	119.1	91%	0.906	81%	0.809	S	S	*	*			trans	-174.7	149.3	164.9	-107.5	158.9	0	0	0	112.3
284	S	33.5	Very low	32.9	Very low	97 Å²	97	118.7 Å²	118.7	68%	0.678	81%	0.805	S	S	*	*			trans	-128	-178	-149.2	-39.3	0	0	0	0	116.3
285	S	35.6	Very low	33.1	Very low	114 Å²	114	118.7 Å²	118.7	80%	0.797	80%	0.797	S	S	*	*			trans	84.1	142.7	175.2	77.4	0	0	0	0	116.6
286	L	33	Very low	33.4	Very low	168 Å²	168	120.4 Å²	120.4	88%	0.88	80%	0.797	S	S	*	*			cis	-149.8	163.6	2.7	-148.8	65.6	0	0	0	109.4
287	P	33.8	Very low	33.1	Very low	105 Å²	105	119.2 Å²	119.2	68%	0.682	79%	0.79	S	S	*	*			trans	-125.1	-172.5	-156.5	41.8	-28.6	0	0	0	119
288	T	30.5	Very low	33.3	Very low	128 Å²	128	121.3 Å²	121.3	79%	0.785	79%	0.789	S	S	*	*			trans	82.9	138.8	160.4	3	0	0	0	0	116.4
289	T	30.5	Very low	33.4	Very low	134 Å²	134	126.7 Å²	126.7	82%	0.822	80%	0.797	S	S	*	*				-158.5	154.7	51.5	-71.2	0	0	0	0	114.8
290	A	30.5	Very low	33.5	Very low	94 Å²	94	125.7 Å²	125.7	78%	0.777	78%	0.782	S	S	*	*			trans	-83.6	167.8	174.4	0	0	0	0	0	112
291	G	29.4	Very low	33.8	Very low	68 Å²	68	126.6 Å²	126.6	70%	0.701	77%	0.773	S	S	*	*			cis	114.5	124.7	23.5	0	0	0	0	0	109.9
292	M	32.7	Very low	34	Very low	208 Å²	208	126.9 Å²	126.9	100%	1.025	77%	0.766	S	S	*	*			trans	-170.7	169.9	170	-105.1	153.7	109.7	0	0	112.8
293	S	29.6	Very low	34.2	Very low	127 Å²	127	124.1 Å²	124.1	89%	0.888	76%	0.763	S	S	*	*			trans	-124.9	157.3	-155.6	175.7	0	0	0	0	114.9
294	G	32.4	Very low	34.3	Very low	76 Å²	76	121.4 Å²	121.4	78%	0.784	76%	0.758	S	S	*	*			trans	-170.7	97.1	176.5	0	0	0	0	0	118.4
295	A	35.4	Very low	34.4	Very low	85 Å²	85	120.6 Å²	120.6	70%	0.702	75%	0.751	S	S	*	*			trans	16.8	119.7	153	0	0	0	0	0	125.3
296	T	38	Very low	34.4	Very low	133 Å²	133	123.5 Å²	123.5	82%	0.816	76%	0.756	S	S	*	*				49.6	166.4	129.2	63.6	0	0	0	0	123.4
297	P	34.2	Very low	34.4	Very low	92 Å²	92	120.4 Å²	120.4	60%	0.597	75%	0.745	S	S	*	*			cis	-124.5	166.9	-17.2	38.9	-24.5	0	0	0	114
298	Y	36.4	Very low	34.5	Very low	198 Å²	198	123.8 Å²	123.8	78%	0.776	75%	0.751	S	S	*	*			trans	-139	131.5	168.7	-75.8	-76.6	0	0	0	113.9	N215	N215-Y298 PolarHBondContact ND2-OH 2.88Å; N215-Y298 VanDerWaalsContact ND2-OH 3.13Å
299	F	37.7	Very low	34.6	Very low	198 Å²	198	124.1 Å²	124.1	87%	0.868	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-87.2	158.4	-177	-73.9	-93.8	0	0	0	113.4
300	L	35	Very low	34.7	Very low	97 Å²	97	125.9 Å²	125.9	51%	0.508	75%	0.747	S	S	.	*	P	Polyproline II helix	trans	-94.6	144.1	-173.4	-69.1	161	0	0	0	113	R460	L300-R460 HydrophobicContact CD1-CB 4.21Å
301	I	40	Very low	34.8	Very low	112 Å²	112	126.2 Å²	126.2	57%	0.574	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-95.4	123.9	163.9	-53.4	172.8	0	0	0	108.6	A209	A209-I301 HydrophobicContact CB-CD1 3.47Å; A209-I301 VanDerWaalsContact CB-CD1 3.47Å; A209-I301 HydrophobicContact CB-CG1 4.22Å
302	P	37.9	Very low	34.9	Very low	115 Å²	115	128.7 Å²	128.7	75%	0.747	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-70.1	138.1	175.3	-18.4	31.9	0	0	0	112.6
303	A	37.3	Very low	34.7	Very low	85 Å²	85	125.6 Å²	125.6	70%	0.702	74%	0.742	S	S	*	*			trans	-87.3	107.3	171.6	0	0	0	0	0	110.7	P305	A303-P305 WeakPolarHBondContact O-CD 3.45Å
304	S	36.7	Very low	34.7	Very low	115 Å²	115	124 Å²	124	80%	0.804	74%	0.736	S	S	*	*			trans	-68.6	123.8	175.4	-61.4	0	0	0	0	111.5	L306	S304-L306 PolarHBondContact O-N 3.32Å
305	P	35.5	Very low	34.6	Very low	81 Å²	81	129 Å²	129	53%	0.526	74%	0.737	S	S	.	*			trans	-88.6	95.4	-173.1	33.9	-35.2	0	0	0	112	A303 T307 R466	A303-P305 WeakPolarHBondContact O-CD 3.45Å; P305-T307 PolarHBondContact O-N 3.02Å; P305-R466 PolarHBondContact O-NH1 3.4Å; P305-R466 PolarHBondContact O-NH2 2.8Å
306	L	36.9	Very low	34.7	Very low	174 Å²	174	132.7 Å²	132.7	91%	0.911	74%	0.743	S	S	*	*			trans	-63.8	121.1	178.2	-156	77.2	0	0	0	111	S304	S304-L306 PolarHBondContact O-N 3.32Å
307	T	31.3	Very low	34.2	Very low	104 Å²	104	131 Å²	131	64%	0.638	74%	0.737	S	S	*	*			trans	-89.4	124.9	175.1	47.1	0	0	0	0	110.4	P305 R466	P305-T307 PolarHBondContact O-N 3.02Å; T307-R466 VanDerWaalsContact CG2-NH1 3.3Å
308	H	36.2	Very low	34.4	Very low	176 Å²	176	132.7 Å²	132.7	82%	0.815	75%	0.748	S	S	*	*			trans	-135.6	134.1	155.7	-163.3	-81.4	0	0	0	109.3
309	N	33.8	Very low	34.3	Very low	135 Å²	135	129 Å²	129	72%	0.722	75%	0.746	S	S	*	*			trans	-108.6	155.5	178.8	-170.9	18.4	0	0	0	108.9
310	Q	31.6	Very low	34.4	Very low	171 Å²	171	125.2 Å²	125.2	80%	0.799	74%	0.739	S	S	*	*			trans	65.7	97.3	162	-164.6	-179.6	87.5	0	0	117.6
311	A	32.7	Very low	34.4	Very low	101 Å²	101	127.1 Å²	127.1	84%	0.835	75%	0.75	S	S	*	*			trans	-151.4	134.3	137.1	0	0	0	0	0	108
312	S	30.7	Very low	34.2	Very low	120 Å²	120	127.2 Å²	127.2	84%	0.839	76%	0.755	S	S	*	*			trans	-81.6	142.8	-165.5	43.2	0	0	0	0	114.3
313	I	28.5	Very low	34.1	Very low	143 Å²	143	129.5 Å²	129.5	73%	0.733	76%	0.761	S	S	*	*			trans	-74.1	138.6	168.7	-60.6	168.6	0	0	0	109.6	F315	I313-F315 HydrophobicContact CG2-CD2 3.5Å; I313-F315 VanDerWaalsContact CG2-CD2 3.5Å; I313-F315 HydrophobicContact CG2-CE2 3.61Å; I313-F315 HydrophobicContact CG2-CG 4.44Å
314	A	31.3	Very low	34.1	Very low	93 Å²	93	129.2 Å²	129.2	77%	0.769	76%	0.758	S	S	*	*			trans	-127	109.2	159.9	0	0	0	0	0	109.2
315	F	30.2	Very low	34.3	Very low	181 Å²	181	132.7 Å²	132.7	79%	0.794	76%	0.762	S	S	*	*			trans	-80.4	141.2	166.4	-80.1	-89.8	0	0	0	109.2	I313	I313-F315 HydrophobicContact CG2-CD2 3.5Å; I313-F315 VanDerWaalsContact CG2-CD2 3.5Å; I313-F315 HydrophobicContact CG2-CE2 3.61Å; I313-F315 HydrophobicContact CG2-CG 4.44Å
316	I	35.8	Very low	34.4	Very low	162 Å²	162	134.3 Å²	134.3	83%	0.831	77%	0.772	S	S	*	*			trans	-126.7	115.5	163.9	-56.6	178.7	0	0	0	107.6
317	S	29.4	Very low	34.7	Very low	99 Å²	99	133.5 Å²	133.5	69%	0.692	77%	0.774	S	S	*	*			trans	-102.1	139.8	169.6	-57.6	0	0	0	0	109.4
318	P	37.8	Very low	34.7	Very low	126 Å²	126	134.7 Å²	134.7	82%	0.818	78%	0.776	S	S	*	*			trans	-101.6	123.5	167	34.1	-26.4	0	0	0	111.5
319	T	34.9	Very low	34.9	Very low	120 Å²	120	131.1 Å²	131.1	74%	0.736	78%	0.777	S	S	*	*			trans	-147.5	148	165.7	-37.7	0	0	0	0	110
320	T	39.6	Very low	35.4	Very low	119 Å²	119	133.6 Å²	133.6	73%	0.73	78%	0.782	S	S	*	*			trans	72.5	142.4	173.2	73.3	0	0	0	0	115.7
321	N	35.2	Very low	36	Very low	137 Å²	137	131 Å²	131	73%	0.733	78%	0.78	S	S	*	*			cis	-164	156.9	-4.3	-119	-1.9	0	0	0	112.6
322	V	35.6	Very low	36.3	Very low	114 Å²	114	134.2 Å²	134.2	69%	0.691	78%	0.782	S	S	*	*			trans	62.2	121.9	138.9	175.4	0	0	0	0	118.2
323	L	35.8	Very low	36.7	Very low	164 Å²	164	132 Å²	132	86%	0.859	77%	0.771	S	S	*	*				-167.9	165.4	70.9	-166.4	56	0	0	0	113.2
324	A	35.9	Very low	37.2	Very low	78 Å²	78	134.1 Å²	134.1	65%	0.645	78%	0.778	S	S	*	*			trans	-74.4	170.5	-178	0	0	0	0	0	114.1
325	Q	41	Very low	37.4	Very low	189 Å²	189	134.1 Å²	134.1	88%	0.883	78%	0.778	S	S	*	*				-158.8	168	50.8	-79.9	-163.2	-7.8	0	0	115
326	P	39	Very low	37.7	Very low	115 Å²	115	132.3 Å²	132.3	75%	0.747	77%	0.774	S	S	*	*			trans	-102.5	157	-178.1	39.3	-33.4	0	0	0	114.8
327	V	42.4	Very low	37.9	Very low	156 Å²	156	133.1 Å²	133.1	95%	0.945	77%	0.768	S	S	*	*			trans	-139.8	153.9	163	-74.7	0	0	0	0	112.2
328	N	31.6	Very low	38.5	Very low	129 Å²	129	136.6 Å²	136.6	69%	0.69	77%	0.773	S	S	*	*			trans	-118.7	146.1	-163.8	133.9	92.2	0	0	0	112.5
329	A	40.4	Very low	38.7	Very low	101 Å²	101	136 Å²	136	84%	0.835	77%	0.769	S	S	*	*			trans	-144.9	149.8	163	0	0	0	0	0	110.4
330	K	44.1	Very low	38.7	Very low	187 Å²	187	134.7 Å²	134.7	81%	0.813	77%	0.77	S	S	*	*			trans	-131.2	178.8	-157.6	-104.4	-173.9	172	172.6	0	112.7
331	P	44.6	Very low	38.8	Very low	117 Å²	117	134 Å²	134	76%	0.76	77%	0.768	S	S	*	*			trans	-115.6	-175.4	-144.3	44.5	-37.1	0	0	0	115.4
332	L	39.1	Very low	38.7	Very low	168 Å²	168	135.6 Å²	135.6	88%	0.88	78%	0.776	S	S	*	*			trans	-158.9	160.9	169.3	-163.2	73.2	0	0	0	109.7
333	A	37.9	Very low	38.7	Very low	74 Å²	74	133.2 Å²	133.2	61%	0.612	77%	0.774	S	S	*	*				-162.4	178.9	-63.6	0	0	0	0	0	109.1
334	Q	38.7	Very low	38.8	Very low	187 Å²	187	130.6 Å²	130.6	87%	0.874	77%	0.765	S	S	*	*			trans	79.3	113.3	165.2	-54.3	172.9	-4.4	0	0	115.8
335	A	36	Very low	38.9	Very low	94 Å²	94	135.4 Å²	135.4	78%	0.777	77%	0.774	S	S	*	*				92.5	148.9	70.8	0	0	0	0	0	111.6
336	M	38	Very low	38.6	Very low	143 Å²	143	131.2 Å²	131.2	70%	0.704	77%	0.766	S	S	*	*			cis	-168.9	166.5	22.3	-153.4	166.6	170.8	0	0	112.5
337	Y	39.9	Very low	38.6	Very low	179 Å²	179	131.4 Å²	131.4	70%	0.702	77%	0.767	S	S	*	*			trans	71.2	149.9	167.6	-62.5	-79.9	0	0	0	121
338	Q	41.4	Very low	38.6	Very low	171 Å²	171	129.6 Å²	129.6	80%	0.799	76%	0.758	S	S	*	*			cis	-167.4	169.9	-39.9	-111.7	-165.3	-12.2	0	0	109.5
339	P	41.5	Very low	38.6	Very low	113 Å²	113	128.7 Å²	128.7	73%	0.734	76%	0.762	S	S	*	*			trans	-130.1	168.9	-152.6	45.6	-34.9	0	0	0	120.5
340	A	34.7	Very low	38.2	Very low	93 Å²	93	128.7 Å²	128.7	77%	0.769	76%	0.762	S	S	*	*			trans	65.6	-179.6	146.6	0	0	0	0	0	119.1
341	P	41.7	Very low	37.7	Very low	106 Å²	106	123.4 Å²	123.4	69%	0.688	76%	0.761	S	S	*	*			cis	-145.2	178.4	-2.8	44.9	-26.4	0	0	0	119.2
342	L	32.7	Very low	37.3	Very low	170 Å²	170	123.1 Å²	123.1	89%	0.89	76%	0.761	S	S	*	*			trans	71.7	139.7	140.7	-78.9	155.9	0	0	0	125
343	G	37.3	Very low	37.2	Very low	63 Å²	63	123.7 Å²	123.7	65%	0.649	76%	0.757	S	S	*	*			trans	136	70.4	158.4	0	0	0	0	0	117.1
344	T	36.9	Very low	37.1	Very low	110 Å²	110	129.5 Å²	129.5	68%	0.675	77%	0.772	S	S	*	*				81.8	123.7	86.7	57.5	0	0	0	0	119.1
345	Q	37.4	Very low	37	Very low	179 Å²	179	124 Å²	124	84%	0.836	77%	0.765	S	S	*	*			trans	71.8	152.4	152.4	-61.1	167.1	112.1	0	0	118.5
346	S	35.5	Very low	37	Very low	100 Å²	100	125 Å²	125	70%	0.699	77%	0.766	S	S	*	*			cis	-177.1	145.6	-25.6	50.8	0	0	0	0	109.7
347	P	39.2	Very low	37	Very low	119 Å²	119	128.1 Å²	128.1	77%	0.773	78%	0.776	S	S	*	*			trans	-94.8	-172.4	170.6	41.8	-36.7	0	0	0	111.3
348	P	41.9	Very low	36.9	Very low	118 Å²	118	123.3 Å²	123.3	77%	0.766	77%	0.773	S	S	*	*			cis	-137.5	-169.2	0.5	40.1	-19.8	0	0	0	115.6
349	S	32.2	Very low	36.7	Very low	110 Å²	110	121.6 Å²	121.6	77%	0.769	77%	0.774	S	S	*	*			trans	124.2	124.5	130.3	-149.7	0	0	0	0	120.4
350	A	31.1	Very low	36.5	Very low	101 Å²	101	121.2 Å²	121.2	84%	0.835	78%	0.78	S	S	*	*			trans	53.2	126	143.9	0	0	0	0	0	123.4
351	G	34.3	Very low	36.8	Very low	76 Å²	76	126.1 Å²	126.1	78%	0.784	79%	0.785	S	S	*	*			trans	176.1	107.2	162.4	0	0	0	0	0	116.6
352	S	36.3	Very low	36.6	Very low	111 Å²	111	125.3 Å²	125.3	78%	0.776	78%	0.781	S	S	*	*			trans	-31.1	165.9	157.3	49.9	0	0	0	0	118.6
353	K	35.7	Very low	36.8	Very low	181 Å²	181	123.2 Å²	123.2	79%	0.787	78%	0.776	S	S	*	*			cis	-176.9	166	-3.3	-105.6	171.9	179	176.6	0	107.8
354	Q	37.1	Very low	36.6	Very low	196 Å²	196	131.4 Å²	131.4	92%	0.916	79%	0.787	S	S	*	*			trans	65.7	150.7	168.3	-62.6	163.3	-8.1	0	0	115
355	G	35.3	Very low	36.2	Very low	72 Å²	72	130.4 Å²	130.4	74%	0.742	78%	0.784	S	S	*	*			cis	178.3	-179.5	-1.2	0	0	0	0	0	107.8
356	S	35.8	Very low	36.2	Very low	113 Å²	113	127.8 Å²	127.8	79%	0.79	78%	0.781	S	S	*	*			cis	-171.5	173.6	-6.8	-78.3	0	0	0	0	108.8
357	K	38.2	Very low	36	Very low	210 Å²	210	132.9 Å²	132.9	91%	0.913	79%	0.791	S	S	*	*			trans	79.7	142.3	178.7	-63.8	178.4	175.3	177.5	0	116
358	A	38.8	Very low	36.1	Very low	77 Å²	77	133 Å²	133	64%	0.636	79%	0.794	S	S	*	*			cis	-160	127.1	-8.8	0	0	0	0	0	109.2
359	T	36.8	Very low	35.6	Very low	135 Å²	135	132.6 Å²	132.6	83%	0.828	79%	0.794	S	S	*	*				101.2	134.2	95.9	53.5	0	0	0	0	117.3
360	A	37.8	Very low	36.1	Very low	105 Å²	105	132.6 Å²	132.6	87%	0.868	79%	0.794	S	S	*	*			trans	79.7	156.4	160.5	0	0	0	0	0	120.5
361	K	40.6	Very low	37	Very low	197 Å²	197	136.2 Å²	136.2	86%	0.857	79%	0.791	S	S	*	*				-174.1	130.7	-54.9	164.5	164.8	-178	179.7	0	111.3
362	S	38.3	Very low	38	Very low	88 Å²	88	137.9 Å²	137.9	62%	0.615	79%	0.786	S	S	*	*			trans	71.9	115.4	154.3	-138.6	0	0	0	0	123.3
363	T	36.2	Very low	39.4	Very low	126 Å²	126	136.8 Å²	136.8	77%	0.773	77%	0.771	S	S	*	*				47.3	122.9	129.3	62.8	0	0	0	0	123.1
364	R	33.4	Very low	41.3	Very low	235 Å²	235	129.7 Å²	129.7	89%	0.887	74%	0.743	S	S	*	*				151	114.6	104.6	-171.4	165.3	-170.6	170	3	114.8
365	S	29.2	Very low	43.3	Very low	89 Å²	89	127.5 Å²	127.5	62%	0.622	73%	0.727	S	S	*	*			trans	14.4	132.3	156.3	63.9	0	0	0	0	122.7
366	T	35.6	Very low	45.3	Very low	125 Å²	125	124.8 Å²	124.8	77%	0.767	70%	0.698	S	S	*	*				175.6	135.3	100.9	34.3	0	0	0	0	115.9
367	K	31.2	Very low	47.6	Very low	207 Å²	207	124.2 Å²	124.2	90%	0.9	68%	0.683	S	S	*	*			trans	45.9	114.5	147	-64.5	178.8	176.4	178.4	0	122
368	S	41.4	Very low	49.7	Very low	120 Å²	120	114.6 Å²	114.6	84%	0.839	64%	0.641	S	S	*	*			trans	-145.6	136.8	152.6	61.1	0	0	0	0	112.9	S370	S368-S370 PolarHBondContact O-N 3.2Å
369	S	32.7	Very low	51.9	Low	110 Å²	110	114.9 Å²	114.9	77%	0.769	64%	0.635	S	S	*	*			trans	-69.7	103.7	-161.1	-179.4	0	0	0	0	116.6
370	S	43.3	Very low	54.2	Low	110 Å²	110	108.9 Å²	108.9	77%	0.769	60%	0.597	S	S	*	*			trans	-86.6	104.4	160	-66	0	0	0	0	109.9	S368 T372	S368-S370 PolarHBondContact O-N 3.2Å; S370-T372 PolarHBondContact O-N 3.37Å
371	K	50	Low	56.4	Low	177 Å²	177	108.5 Å²	108.5	77%	0.77	57%	0.574	S	S	*	*			trans	-65.4	102.7	173.7	-72.7	178.5	178.7	175.3	0	109.8	I373	K371-I373 PolarHBondContact O-N 3.02Å
372	T	53.7	Low	58.4	Low	112 Å²	112	100.8 Å²	100.8	69%	0.687	54%	0.541	S	S	*	.			trans	-63.4	95.8	169.5	44.9	0	0	0	0	109	S370 C374	S370-T372 PolarHBondContact O-N 3.37Å; T372-C374 PolarHBondContact O-N 3.34Å; T372-C374 VanDerWaalsContact O-N 3.08Å
373	I	66	Low	60.6	Low	87 Å²	87	100.2 Å²	100.2	45%	0.446	54%	0.542	S	S	.	.			trans	-67.4	108.3	169.2	-63.4	174.4	0	0	0	106.5	K371 N440 G441	K371-I373 PolarHBondContact O-N 3.02Å; I373-N440 HydrophobicContact CG2-CB 4.17Å; I373-G441 WeakPolarHBondContact CA-O 3.3Å
374	C	75.4	Confident	62.9	Low	32 Å²	32	94.5 Å²	94.5	22%	0.216	51%	0.507	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	143.2	172.4	-58.8	0	0	0	0	108.3	T372 N440 G441 E444 I447	T372-C374 PolarHBondContact O-N 3.34Å; T372-C374 VanDerWaalsContact O-N 3.08Å; C374-N440 WeakPolarHBondContact O-CA 3.24Å; C374-G441 PolarHBondContact N-O 2.9Å; C374-G441 PolarHBondContact O-N 2.77Å; C374-E444 PolarHBondContact SG-N 3.35Å; C374-I447 VanDerWaalsContact C-CD1 3.42Å; C374-I447 HydrophobicContact CB-CD1 3.38Å; C374-I447 HydrophobicContact CB-CG1 4.35Å; C374-I447 WeakPolarHBondContact O-CD1 3.46Å
375	R	80	Confident	65.4	Low	150 Å²	150	84.1 Å²	84.1	57%	0.566	47%	0.471	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.5	132.9	173.2	176.7	-177.4	179	110.3	-5.4	108	E377 T438 I439 N440	R375-E377 IonicContact CZ-OE1 3.92Å; R375-E377 IonicContact NE-OE1 3.8Å; R375-E377 PolarHBondContact NE-OE1 3.39Å; R375-E377 IonicContact NH2-OE1 2.79Å; R375-E377 PolarHBondContact NH2-OE1 2.97Å; R375-T438 HydrophobicContact CG-CG2 3.9Å; R375-T438 PolarHBondContact NH2-OG1 3.11Å; R375-I439 WeakPolarHBondContact CA-O 3.49Å; R375-N440 WeakPolarHBondContact CG-OD1 3.28Å
376	A	78	Confident	68.1	Low	16 Å²	16	82.2 Å²	82.2	13%	0.132	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	149.2	167.7	0	0	0	0	0	110	T438 I439 I447	A376-T438 CarbonylContact O-C 3.55Å; A376-T438 WeakPolarHBondContact O-CA 3.46Å; A376-I439 PolarHBondContact N-O 3.38Å; A376-I439 PolarHBondContact O-N 3.01Å; A376-I447 HydrophobicContact CB-CD1 4.35Å; A376-I447 HydrophobicContact CB-CG2 3.49Å; A376-I447 VanDerWaalsContact CB-CG2 3.49Å
377	E	82.5	Confident	70.6	Confident	101 Å²	101	77.9 Å²	77.9	47%	0.472	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	131.2	171.5	-73.3	169.8	-173.2	0	0	107.8	R375 M436 I437 T438	R375-E377 IonicContact CZ-OE1 3.92Å; R375-E377 IonicContact NE-OE1 3.8Å; R375-E377 PolarHBondContact NE-OE1 3.39Å; R375-E377 IonicContact NH2-OE1 2.79Å; R375-E377 PolarHBondContact NH2-OE1 2.97Å; E377-M436 HydrophobicContact CB-CG 4.17Å; E377-M436 HydrophobicContact CB-SD 4.08Å; E377-M436 HydrophobicContact CG-SD 4.17Å; E377-I437 WeakPolarHBondContact CA-O 3.32Å; E377-T438 HydrophobicContact CG-CG2 4.41Å
378	I	83.4	Confident	73.3	Confident	7 Å²	7	68.2 Å²	68.2	4%	0.036	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	145.5	-175.9	76.2	162.7	0	0	0	108.2	I380 M436 I437 I439 K451 I454 F482	I378-I380 HydrophobicContact CD1-CG2 4.15Å; I378-I380 HydrophobicContact CG1-CG2 4.49Å; I378-M436 CarbonylContact O-C 3.3Å; I378-M436 WeakPolarHBondContact O-CA 3.38Å; I378-I437 HydrophobicContact CD1-CB 4.46Å; I378-I437 HydrophobicContact CG1-CB 3.81Å; I378-I437 HydrophobicContact CG1-CG2 4.26Å; I378-I437 PolarHBondContact N-O 3.38Å; I378-I437 PolarHBondContact O-N 3.29Å; I378-I439 HydrophobicContact CD1-CD1 4.06Å; I378-I439 HydrophobicContact CG1-CD1 4.43Å; I378-I439 HydrophobicContact CG2-CD1 4.08Å; I378-K451 HydrophobicContact CG2-CG 4.18Å; I378-I454 HydrophobicContact CD1-CD1 3.79Å; I378-I454 HydrophobicContact CD1-CG2 3.97Å; I378-F482 HydrophobicContact CB-CE1 4.05Å; I378-F482 HydrophobicContact CG2-CE1 3.7Å
379	V	83.6	Confident	75.4	Confident	84 Å²	84	64.3 Å²	64.3	51%	0.509	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	125.4	178.7	179.4	0	0	0	0	108.8	D434 R435	V379-D434 HydrophobicContact CG1-CB 3.55Å; V379-R435 WeakPolarHBondContact CA-O 3.35Å
380	I	85.3	Confident	77.8	Confident	8 Å²	8	59.8 Å²	59.8	4%	0.041	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	152.2	174.4	70.3	159.6	0	0	0	110.1	I378 V388 D434 R435 I437 I454 I458	I378-I380 HydrophobicContact CD1-CG2 4.15Å; I378-I380 HydrophobicContact CG1-CG2 4.49Å; I380-V388 HydrophobicContact CD1-CB 4.5Å; I380-V388 HydrophobicContact CD1-CG2 4.01Å; I380-D434 CarbonylContact O-C 3.59Å; I380-D434 WeakPolarHBondContact O-CA 3.47Å; I380-R435 HydrophobicContact CD1-CG 4.35Å; I380-R435 HydrophobicContact CG1-CG 3.67Å; I380-R435 PolarHBondContact N-O 2.78Å; I380-R435 PolarHBondContact O-N 3.39Å; I380-I437 HydrophobicContact CD1-CD1 3.43Å; I380-I437 VanDerWaalsContact CD1-CD1 3.43Å; I380-I437 HydrophobicContact CD1-CG1 4.42Å; I380-I437 HydrophobicContact CG1-CD1 3.74Å; I380-I437 HydrophobicContact CG1-CG1 4.3Å; I380-I437 HydrophobicContact CG2-CD1 4.28Å; I380-I454 HydrophobicContact CG2-CG2 4.43Å; I380-I458 HydrophobicContact CB-CD1 4.37Å; I380-I458 HydrophobicContact CG2-CD1 4.05Å
381	R	84.9	Confident	79.5	Confident	98 Å²	98	59.9 Å²	59.9	37%	0.37	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	147.6	174.5	-64.9	178	-59.9	-178.2	2.6	111	A383 D384 S385 D434	R381-A383 PolarHBondContact O-N 2.73Å; R381-D384 HydrophobicContact CB-CB 4.42Å; R381-D384 IonicContact CZ-OD2 3.88Å; R381-D384 VanDerWaalsContact CZ-OD2 3.22Å; R381-D384 IonicContact NE-OD2 2.75Å; R381-D384 PolarHBondContact NE-OD2 2.69Å; R381-D384 IonicContact NH2-OD1 3.14Å; R381-D384 PolarHBondContact NH2-OD1 3.15Å; R381-D384 IonicContact NH2-OD2 2.74Å; R381-D384 PolarHBondContact NH2-OD2 2.7Å; R381-D384 PolarHBondContact O-N 3.25Å; R381-S385 PolarHBondContact O-N 3.41Å; R381-D434 WeakPolarHBondContact CA-OD1 3.38Å; R381-D434 VanDerWaalsContact CG-OD1 3.25Å; R381-D434 WeakPolarHBondContact CG-OD1 3.21Å
382	N	82.9	Confident	80.9	Confident	34 Å²	34	57.4 Å²	57.4	18%	0.182	32%	0.318	C	S	.	.	H	α-helix	trans	-58.9	-31.5	173.1	-82.6	-39.3	0	0	0	112.7	D384 S385 V428 M432 K433 D434 R435	N382-D384 VanDerWaalsContact C-N 3.26Å; N382-D384 PolarHBondContact O-N 3.13Å; N382-S385 PolarHBondContact O-OG 2.97Å; N382-V428 WeakPolarHBondContact ND2-CG1 3.38Å; N382-M432 PolarHBondContact ND2-O 3.04Å; N382-K433 PolarHBondContact N-O 3.04Å; N382-D434 PolarHBondContact ND2-O 3.17Å; N382-R435 PolarHBondContact OD1-NE 3.41Å; N382-R435 PolarHBondContact OD1-NH2 3.07Å
383	A	83	Confident	82.3	Confident	77 Å²	77	52.9 Å²	52.9	64%	0.636	29%	0.294	S	S	*	.	H	α-helix	trans	-68.8	-20.5	173.1	0	0	0	0	0	114.1	R381	R381-A383 PolarHBondContact O-N 2.73Å
384	D	86.3	Confident	83	Confident	6 Å²	6	53.4 Å²	53.4	3%	0.032	29%	0.29	C	S	.	.	H	α-helix	trans	-95.3	-12.6	-178.3	-65.7	-36.5	0	0	0	112.7	R381 N382 G386 K387 V388 I458	R381-D384 HydrophobicContact CB-CB 4.42Å; R381-D384 IonicContact CZ-OD2 3.88Å; R381-D384 VanDerWaalsContact CZ-OD2 3.22Å; R381-D384 IonicContact NE-OD2 2.75Å; R381-D384 PolarHBondContact NE-OD2 2.69Å; R381-D384 IonicContact NH2-OD1 3.14Å; R381-D384 PolarHBondContact NH2-OD1 3.15Å; R381-D384 IonicContact NH2-OD2 2.74Å; R381-D384 PolarHBondContact NH2-OD2 2.7Å; R381-D384 PolarHBondContact O-N 3.25Å; N382-D384 VanDerWaalsContact C-N 3.26Å; N382-D384 PolarHBondContact O-N 3.13Å; D384-G386 PolarHBondContact O-N 3.5Å; D384-K387 HydrophobicContact CB-CD 4.38Å; D384-K387 WeakPolarHBondContact O-CA 3.46Å; D384-K387 VanDerWaalsContact O-CB 3.24Å; D384-K387 WeakPolarHBondContact O-CB 3.44Å; D384-K387 PolarHBondContact O-N 3.43Å; D384-K387 WeakPolarHBondContact OD1-CD 3.42Å; D384-K387 WeakPolarHBondContact OD1-CE 3.47Å; D384-K387 IonicContact OD1-NZ 2.71Å; D384-K387 PolarHBondContact OD1-NZ 3.22Å; D384-V388 PolarHBondContact O-N 2.96Å; D384-V388 VanDerWaalsContact O-N 3.13Å; D384-I458 HydrophobicContact CB-CD1 4Å; D384-I458 HydrophobicContact CB-CG1 4.07Å; D384-I458 HydrophobicContact CB-CG2 4.01Å
385	S	85.1	Confident	83.5	Confident	17 Å²	17	55.5 Å²	55.5	12%	0.119	29%	0.294	C	S	.	.	H	α-helix	trans	-63.1	-41.1	-177.1	71.5	0	0	0	0	113.9	R381 N382 K387 V388 M389 R435	R381-S385 PolarHBondContact O-N 3.41Å; N382-S385 PolarHBondContact O-OG 2.97Å; S385-K387 PolarHBondContact O-N 2.77Å; S385-V388 PolarHBondContact O-N 3.41Å; S385-M389 WeakPolarHBondContact O-CB 3.48Å; S385-M389 VanDerWaalsContact O-CG 3.32Å; S385-M389 WeakPolarHBondContact O-CG 3.2Å; S385-M389 PolarHBondContact O-N 3.38Å; S385-R435 VanDerWaalsContact CB-NE 3.33Å; S385-R435 VanDerWaalsContact CB-NH1 3.33Å; S385-R435 PolarHBondContact OG-NH1 3.46Å; S385-R435 PolarHBondContact OG-NH2 3.27Å
386	G	85.9	Confident	83.8	Confident	49 Å²	49	49.6 Å²	49.6	51%	0.505	27%	0.274	S	S	.	.	H	α-helix	trans	-64.6	-28.9	174.5	0	0	0	0	0	112.4	D384 G390	D384-G386 PolarHBondContact O-N 3.5Å; G386-G390 WeakPolarHBondContact O-CA 3.15Å; G386-G390 PolarHBondContact O-N 2.78Å
387	K	88.4	Confident	84.1	Confident	33 Å²	33	51.2 Å²	51.2	14%	0.143	29%	0.288	C	S	.	.	H	α-helix	trans	-69.6	-42.5	177.3	-55.6	174.4	-175	167.4	0	111.1	D384 S385 R395 T457 N461	D384-K387 HydrophobicContact CB-CD 4.38Å; D384-K387 WeakPolarHBondContact O-CA 3.46Å; D384-K387 VanDerWaalsContact O-CB 3.24Å; D384-K387 WeakPolarHBondContact O-CB 3.44Å; D384-K387 PolarHBondContact O-N 3.43Å; D384-K387 WeakPolarHBondContact OD1-CD 3.42Å; D384-K387 WeakPolarHBondContact OD1-CE 3.47Å; D384-K387 IonicContact OD1-NZ 2.71Å; D384-K387 PolarHBondContact OD1-NZ 3.22Å; S385-K387 PolarHBondContact O-N 2.77Å; K387-R395 WeakPolarHBondContact O-CD 3.45Å; K387-R395 PolarHBondContact O-NH1 3.02Å; K387-T457 WeakPolarHBondContact O-CG2 3.45Å; K387-N461 HydrophobicContact CB-CB 3.9Å; K387-N461 HydrophobicContact CD-CB 4.38Å; K387-N461 WeakPolarHBondContact CD-O 3.4Å; K387-N461 VanDerWaalsContact CE-O 3.23Å; K387-N461 WeakPolarHBondContact CE-O 3.2Å; K387-N461 HydrophobicContact CG-CB 4.12Å
388	V	88.3	Confident	84.2	Confident	4 Å²	4	49.7 Å²	49.7	2%	0.024	29%	0.285	C	S	.	.	H	α-helix	trans	-73	-46.6	178	-179.9	0	0	0	0	112.3	I380 D384 S385 R395 V396 I399 I454 I458	I380-V388 HydrophobicContact CD1-CB 4.5Å; I380-V388 HydrophobicContact CD1-CG2 4.01Å; D384-V388 PolarHBondContact O-N 2.96Å; D384-V388 VanDerWaalsContact O-N 3.13Å; S385-V388 PolarHBondContact O-N 3.41Å; V388-R395 CarbonylContact O-C 3.35Å; V388-R395 WeakPolarHBondContact O-CB 3.19Å; V388-V396 PolarHBondContact O-N 2.69Å; V388-I399 HydrophobicContact CG1-CD1 4.14Å; V388-I454 HydrophobicContact CG1-CG1 4.22Å; V388-I454 HydrophobicContact CG1-CG2 4.26Å; V388-I454 HydrophobicContact CG2-CG2 3.9Å; V388-I458 HydrophobicContact CG2-CD1 3.78Å; V388-I458 HydrophobicContact CG2-CG1 3.43Å; V388-I458 VanDerWaalsContact CG2-CG1 3.43Å
389	M	85.2	Confident	84.4	Confident	38 Å²	38	49.7 Å²	49.7	19%	0.187	29%	0.285	C	S	.	.	H	α-helix	trans	-65.7	-44	179.4	-68.2	-63	-72.2	0	0	111.5	S385 G393 R394 R395 V396 F413	S385-M389 WeakPolarHBondContact O-CB 3.48Å; S385-M389 VanDerWaalsContact O-CG 3.32Å; S385-M389 WeakPolarHBondContact O-CG 3.2Å; S385-M389 PolarHBondContact O-N 3.38Å; M389-G393 CarbonylContact O-C 3.58Å; M389-G393 WeakPolarHBondContact O-CA 3.42Å; M389-R394 PolarHBondContact O-N 3.04Å; M389-R395 PolarHBondContact O-N 3.33Å; M389-R395 VanDerWaalsContact O-N 3.07Å; M389-V396 HydrophobicContact CE-CG1 4.02Å; M389-V396 PolarHBondContact O-N 2.73Å; M389-V396 HydrophobicContact SD-CB 4.18Å; M389-V396 HydrophobicContact SD-CG1 3.77Å; M389-F413 HydrophobicContact CE-CD2 3.93Å; M389-F413 HydrophobicContact CE-CE2 3.99Å; M389-F413 HydrophobicContact CE-CG 4.44Å; M389-F413 HydrophobicContact CG-CE2 4.37Å; M389-F413 HydrophobicContact SD-CD2 3.94Å; M389-F413 HydrophobicContact SD-CE2 3.53Å; M389-F413 VanDerWaalsContact SD-CE2 3.53Å; M389-F413 HydrophobicContact SD-CZ 4.24Å
390	G	83	Confident	84.3	Confident	15 Å²	15	47.5 Å²	47.5	16%	0.155	27%	0.269	C	S	.	.			trans	65	178.3	-166.9	0	0	0	0	0	112.6	G386 K392 G393	G386-G390 WeakPolarHBondContact O-CA 3.15Å; G386-G390 PolarHBondContact O-N 2.78Å; G390-K392 PolarHBondContact O-N 3.18Å; G390-G393 PolarHBondContact O-N 3.29Å
391	V	79	Confident	84.2	Confident	112 Å²	112	53.8 Å²	53.8	68%	0.679	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-58.9	124	177.3	-177.2	0	0	0	0	109.2	G393 R394	V391-G393 PolarHBondContact O-N 3.07Å; V391-R394 WeakPolarHBondContact O-CB 3.47Å; V391-R394 PolarHBondContact O-N 3.4Å
392	K	78.6	Confident	83.9	Confident	125 Å²	125	54.4 Å²	54.4	54%	0.543	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	55.4	23.3	176.2	-159.2	159.2	179	167.6	0	115	G390	G390-K392 PolarHBondContact O-N 3.18Å
393	G	83.1	Confident	83.8	Confident	17 Å²	17	52.9 Å²	52.9	18%	0.175	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	84.1	10	-179.2	0	0	0	0	0	115.1	M389 G390 V391 R395 V396 A397	M389-G393 CarbonylContact O-C 3.58Å; M389-G393 WeakPolarHBondContact O-CA 3.42Å; G390-G393 PolarHBondContact O-N 3.29Å; V391-G393 PolarHBondContact O-N 3.07Å; G393-R395 VanDerWaalsContact C-N 3.31Å; G393-R395 PolarHBondContact O-N 3.19Å; G393-V396 WeakPolarHBondContact O-CG1 3.15Å; G393-V396 PolarHBondContact O-N 3Å; G393-A397 WeakPolarHBondContact O-CB 3.35Å; G393-A397 PolarHBondContact O-N 3.46Å
394	R	81.2	Confident	83.1	Confident	99 Å²	99	54 Å²	54	37%	0.374	29%	0.294	S	S	.	.	H	α-helix	trans	-58.8	-38.1	-176.2	-170.9	-177	-172.6	125	2.4	113.6	E206 M389 V391 V398	E206-R394 IonicContact OE1-CZ 3.18Å; E206-R394 IonicContact OE1-NH1 3.63Å; E206-R394 PolarHBondContact OE1-NH1 2.98Å; E206-R394 IonicContact OE2-CZ 2.88Å; E206-R394 IonicContact OE2-NH1 3.43Å; E206-R394 PolarHBondContact OE2-NH1 3.03Å; M389-R394 PolarHBondContact O-N 3.04Å; V391-R394 WeakPolarHBondContact O-CB 3.47Å; V391-R394 PolarHBondContact O-N 3.4Å; R394-V398 WeakPolarHBondContact O-CG2 3.49Å; R394-V398 PolarHBondContact O-N 3.38Å
395	R	85.7	Confident	82.1	Confident	76 Å²	76	54 Å²	54	29%	0.287	29%	0.294	S	S	.	.	H	α-helix	trans	-76.3	-42.3	-177.6	-69.9	176.1	-174	177.4	-5.3	111.5	K387 V388 M389 G393 A397 V398 I399 T457 N461	K387-R395 WeakPolarHBondContact O-CD 3.45Å; K387-R395 PolarHBondContact O-NH1 3.02Å; V388-R395 CarbonylContact O-C 3.35Å; V388-R395 WeakPolarHBondContact O-CB 3.19Å; M389-R395 PolarHBondContact O-N 3.33Å; M389-R395 VanDerWaalsContact O-N 3.07Å; G393-R395 VanDerWaalsContact C-N 3.31Å; G393-R395 PolarHBondContact O-N 3.19Å; R395-A397 VanDerWaalsContact C-N 3.27Å; R395-A397 PolarHBondContact O-N 3.24Å; R395-V398 PolarHBondContact O-N 3.05Å; R395-I399 VanDerWaalsContact O-CG1 3.3Å; R395-I399 WeakPolarHBondContact O-CG1 3.5Å; R395-I399 PolarHBondContact O-N 3.38Å; R395-T457 HydrophobicContact CB-CG2 4.45Å; R395-N461 VanDerWaalsContact CZ-CG 3.49Å; R395-N461 PolarHBondContact NH1-ND2 2.68Å; R395-N461 PolarHBondContact NH1-OD1 3.27Å; R395-N461 PolarHBondContact NH2-OD1 3.15Å
396	V	87.3	Confident	80.7	Confident	26 Å²	26	58.7 Å²	58.7	16%	0.158	32%	0.317	C	S	.	.	H	α-helix	trans	-64.1	-33.1	174.2	63	0	0	0	0	111.9	V388 M389 G393 I399 E400 C409	V388-V396 PolarHBondContact O-N 2.69Å; M389-V396 HydrophobicContact CE-CG1 4.02Å; M389-V396 PolarHBondContact O-N 2.73Å; M389-V396 HydrophobicContact SD-CB 4.18Å; M389-V396 HydrophobicContact SD-CG1 3.77Å; G393-V396 WeakPolarHBondContact O-CG1 3.15Å; G393-V396 PolarHBondContact O-N 3Å; V396-I399 PolarHBondContact O-N 3.22Å; V396-E400 WeakPolarHBondContact O-CB 3.47Å; V396-E400 PolarHBondContact O-N 2.99Å; V396-C409 WeakPolarHBondContact CG2-SG 3.48Å
397	A	84.5	Confident	78.7	Confident	50 Å²	50	61.7 Å²	61.7	41%	0.413	32%	0.318	S	S	.	.	H	α-helix	trans	-63.2	-44.1	172.3	0	0	0	0	0	112.7	G393 R395 I399 E400 E401	G393-A397 WeakPolarHBondContact O-CB 3.35Å; G393-A397 PolarHBondContact O-N 3.46Å; R395-A397 VanDerWaalsContact C-N 3.27Å; R395-A397 PolarHBondContact O-N 3.24Å; A397-I399 VanDerWaalsContact C-N 3.31Å; A397-I399 PolarHBondContact O-N 3.16Å; A397-E400 PolarHBondContact O-N 2.97Å; A397-E401 WeakPolarHBondContact O-CB 3.5Å; A397-E401 PolarHBondContact O-N 3.22Å
398	V	84.5	Confident	76.4	Confident	68 Å²	68	65 Å²	65	41%	0.412	33%	0.329	S	S	.	.	H	α-helix	trans	-63.9	-36.7	174	172.9	0	0	0	0	111.4	R394 R395 M402	R394-V398 WeakPolarHBondContact O-CG2 3.49Å; R394-V398 PolarHBondContact O-N 3.38Å; R395-V398 PolarHBondContact O-N 3.05Å; V398-M402 HydrophobicContact CG1-CG 4.12Å; V398-M402 HydrophobicContact CG1-SD 3.79Å; V398-M402 VanDerWaalsContact O-CB 3.31Å; V398-M402 WeakPolarHBondContact O-CB 3.28Å; V398-M402 VanDerWaalsContact O-CG 3.29Å; V398-M402 WeakPolarHBondContact O-CG 3.34Å; V398-M402 PolarHBondContact O-N 3.34Å
399	I	86.3	Confident	74	Confident	7 Å²	7	66.3 Å²	66.3	4%	0.036	34%	0.338	C	S	.	.	H	α-helix	trans	-65.2	-44	174.3	-65.2	165.7	0	0	0	110.8	V388 R395 V396 A397 S403 L453 I454 T457	V388-I399 HydrophobicContact CG1-CD1 4.14Å; R395-I399 VanDerWaalsContact O-CG1 3.3Å; R395-I399 WeakPolarHBondContact O-CG1 3.5Å; R395-I399 PolarHBondContact O-N 3.38Å; V396-I399 PolarHBondContact O-N 3.22Å; A397-I399 VanDerWaalsContact C-N 3.31Å; A397-I399 PolarHBondContact O-N 3.16Å; I399-S403 VanDerWaalsContact O-CB 3.26Å; I399-S403 WeakPolarHBondContact O-CB 3.25Å; I399-S403 PolarHBondContact O-N 3.14Å; I399-S403 PolarHBondContact O-OG 2.97Å; I399-L453 HydrophobicContact CG1-CB 4.27Å; I399-L453 HydrophobicContact CG2-CB 4.16Å; I399-I454 HydrophobicContact CD1-CG1 4.01Å; I399-I454 HydrophobicContact CG2-CG1 4.02Å; I399-T457 HydrophobicContact CD1-CG2 4.29Å
400	E	82.8	Confident	71.8	Confident	38 Å²	38	68.4 Å²	68.4	18%	0.178	36%	0.362	C	S	.	.	H	α-helix	trans	-61	-43.5	177.4	-175.3	167.6	-154.1	0	0	111.6	V396 A397 N404 T405 C409 A410	V396-E400 WeakPolarHBondContact O-CB 3.47Å; V396-E400 PolarHBondContact O-N 2.99Å; A397-E400 PolarHBondContact O-N 2.97Å; E400-N404 PolarHBondContact O-N 3.19Å; E400-T405 PolarHBondContact O-N 3.32Å; E400-C409 HydrophobicContact CB-CB 3.83Å; E400-C409 HydrophobicContact CG-CB 3.69Å; E400-C409 WeakPolarHBondContact OE1-CA 3.37Å; E400-C409 WeakPolarHBondContact OE1-CB 3.4Å; E400-C409 PolarHBondContact OE1-N 3.5Å; E400-C409 WeakPolarHBondContact OE2-CB 3.46Å; E400-A410 PolarHBondContact OE1-N 2.83Å
401	E	81.4	Confident	69.5	Low	141 Å²	141	74.7 Å²	74.7	66%	0.659	38%	0.38	S	S	*	.	H	α-helix	trans	-66.3	-54.5	176.5	-174.4	172.5	-167	0	0	112	A397 S403 N404	A397-E401 WeakPolarHBondContact O-CB 3.5Å; A397-E401 PolarHBondContact O-N 3.22Å; E401-S403 VanDerWaalsContact C-N 3.32Å; E401-S403 PolarHBondContact O-N 3.47Å; E401-N404 PolarHBondContact O-N 3Å
402	M	79.2	Confident	67.7	Low	110 Å²	110	70.7 Å²	70.7	54%	0.542	36%	0.357	S	S	.	.	H	α-helix	trans	-65.9	-30.7	-176.9	-71.5	-173.2	73	0	0	113.7	V398 N404 L453	V398-M402 HydrophobicContact CG1-CG 4.12Å; V398-M402 HydrophobicContact CG1-SD 3.79Å; V398-M402 VanDerWaalsContact O-CB 3.31Å; V398-M402 WeakPolarHBondContact O-CB 3.28Å; V398-M402 VanDerWaalsContact O-CG 3.29Å; V398-M402 WeakPolarHBondContact O-CG 3.34Å; V398-M402 PolarHBondContact O-N 3.34Å; M402-N404 VanDerWaalsContact C-N 3.34Å; M402-L453 HydrophobicContact CB-CD1 3.67Å; M402-L453 HydrophobicContact CE-CD2 4.21Å; M402-L453 HydrophobicContact SD-CD2 4.32Å
403	S	81	Confident	65.8	Low	2 Å²	2	68.1 Å²	68.1	1%	0.014	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-1.5	178.5	60.7	0	0	0	0	114.2	I399 E401 T405 A446	I399-S403 VanDerWaalsContact O-CB 3.26Å; I399-S403 WeakPolarHBondContact O-CB 3.25Å; I399-S403 PolarHBondContact O-N 3.14Å; I399-S403 PolarHBondContact O-OG 2.97Å; E401-S403 VanDerWaalsContact C-N 3.32Å; E401-S403 PolarHBondContact O-N 3.47Å; S403-T405 PolarHBondContact O-N 2.96Å; S403-T405 VanDerWaalsContact O-N 3.1Å; S403-T405 WeakPolarHBondContact OG-CG2 3.48Å; S403-T405 PolarHBondContact OG-OG1 2.7Å; S403-A446 WeakPolarHBondContact O-CB 3.22Å
404	N	69.4	Low	63.4	Low	102 Å²	102	76.7 Å²	76.7	55%	0.545	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	25.8	-169.8	-72.4	-53.4	0	0	0	113.9	E400 E401 M402 I406	E400-N404 PolarHBondContact O-N 3.19Å; E401-N404 PolarHBondContact O-N 3Å; M402-N404 VanDerWaalsContact C-N 3.34Å; N404-I406 PolarHBondContact O-N 3.27Å
405	T	64.5	Low	61.1	Low	4 Å²	4	75.5 Å²	75.5	3%	0.025	38%	0.377	C	S	.	.			trans	-80.7	36.5	174.9	54.6	0	0	0	0	111.9	E400 S403 Q407 I439 N440 A446 A450	E400-T405 PolarHBondContact O-N 3.32Å; S403-T405 PolarHBondContact O-N 2.96Å; S403-T405 VanDerWaalsContact O-N 3.1Å; S403-T405 WeakPolarHBondContact OG-CG2 3.48Å; S403-T405 PolarHBondContact OG-OG1 2.7Å; T405-Q407 CarbonylContact O-C 3.13Å; T405-Q407 PolarHBondContact O-N 2.79Å; T405-I439 HydrophobicContact CG2-CG2 4.08Å; T405-N440 WeakPolarHBondContact CB-O 3.43Å; T405-A446 HydrophobicContact CG2-CB 4.41Å; T405-A450 HydrophobicContact CG2-CB 4.24Å
406	I	55	Low	58.4	Low	116 Å²	116	79.8 Å²	79.8	60%	0.595	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	2.2	-172.1	-64.3	166	0	0	0	113.1	N404	N404-I406 PolarHBondContact O-N 3.27Å
407	Q	45.2	Very low	55.8	Low	113 Å²	113	82.6 Å²	82.6	53%	0.528	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	77.5	162.8	-65.9	-150.3	-25.1	0	0	112.8	T405	T405-Q407 CarbonylContact O-C 3.13Å; T405-Q407 PolarHBondContact O-N 2.79Å
408	R	39.4	Very low	53.2	Low	103 Å²	103	85.6 Å²	85.6	39%	0.389	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.5	40.7	149	-45.9	168.6	-176.8	99.1	-2.8	117.5	A410 R411	R408-A410 PolarHBondContact O-N 2.76Å; R408-R411 HydrophobicContact CB-CB 3.78Å; R408-R411 PolarHBondContact O-N 3.13Å
409	C	38.2	Very low	50.7	Low	30 Å²	30	86.4 Å²	86.4	20%	0.203	46%	0.456	C	S	.	.	G	3₁₀ helix	trans	-61.4	-32.2	155.8	-149.5	0	0	0	0	110.2	V396 E400 R411 C412	V396-C409 WeakPolarHBondContact CG2-SG 3.48Å; E400-C409 HydrophobicContact CB-CB 3.83Å; E400-C409 HydrophobicContact CG-CB 3.69Å; E400-C409 WeakPolarHBondContact OE1-CA 3.37Å; E400-C409 WeakPolarHBondContact OE1-CB 3.4Å; E400-C409 PolarHBondContact OE1-N 3.5Å; E400-C409 WeakPolarHBondContact OE2-CB 3.46Å; C409-R411 PolarHBondContact O-N 3.08Å; C409-C412 PolarHBondContact O-N 2.92Å
410	A	37.7	Very low	48	Very low	83 Å²	83	95.1 Å²	95.1	69%	0.686	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-57.5	-7.5	167	0	0	0	0	0	116.5	E400 R408	E400-A410 PolarHBondContact OE1-N 2.83Å; R408-A410 PolarHBondContact O-N 2.76Å
411	R	36.4	Very low	45.5	Very low	146 Å²	146	100 Å²	100	55%	0.551	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-103.5	-13.4	173	-165.8	171	-68.8	-171.1	-5.3	113.5	R408 C409 F413 R414	R408-R411 HydrophobicContact CB-CB 3.78Å; R408-R411 PolarHBondContact O-N 3.13Å; C409-R411 PolarHBondContact O-N 3.08Å; R411-F413 PolarHBondContact O-N 2.76Å; R411-R414 HydrophobicContact CG-CB 4.4Å; R411-R414 PolarHBondContact O-N 2.65Å
412	C	41.4	Very low	43.2	Very low	29 Å²	29	98.4 Å²	98.4	20%	0.196	53%	0.534	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	4	-177.2	-62.8	0	0	0	0	114.4	C409 T438	C409-C412 PolarHBondContact O-N 2.92Å; C412-T438 PolarHBondContact SG-O 3.27Å
413	F	37.1	Very low	40.9	Very low	71 Å²	71	97.2 Å²	97.2	31%	0.311	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.5	8.5	166.5	-93.5	-89	0	0	0	113.9	M389 R411 V415 F426	M389-F413 HydrophobicContact CE-CD2 3.93Å; M389-F413 HydrophobicContact CE-CE2 3.99Å; M389-F413 HydrophobicContact CE-CG 4.44Å; M389-F413 HydrophobicContact CG-CE2 4.37Å; M389-F413 HydrophobicContact SD-CD2 3.94Å; M389-F413 HydrophobicContact SD-CE2 3.53Å; M389-F413 VanDerWaalsContact SD-CE2 3.53Å; M389-F413 HydrophobicContact SD-CZ 4.24Å; R411-F413 PolarHBondContact O-N 2.76Å; F413-V415 PolarHBondContact O-N 2.87Å; F413-F426 HydrophobicContact CD1-CD2 4.17Å; F413-F426 HydrophobicContact CD1-CE2 4.05Å; F413-F426 AromaticContact CE1-CD2 3.78Å; F413-F426 HydrophobicContact CE1-CD2 3.78Å; F413-F426 AromaticContact CE1-CE2 3.91Å; F413-F426 HydrophobicContact CE1-CE2 3.91Å; F413-F426 HydrophobicContact CZ-CD2 4.46Å; F413-F426 HydrophobicContact CZ-CE2 4.39Å
414	R	34.1	Very low	38.4	Very low	196 Å²	196	105.5 Å²	105.5	74%	0.74	57%	0.566	S	S	*	*			trans	-87	91.8	170.9	-96.4	-166.5	178.6	-175.2	1.2	110	R411	R411-R414 HydrophobicContact CG-CB 4.4Å; R411-R414 PolarHBondContact O-N 2.65Å
415	V	32.3	Very low	36.6	Very low	75 Å²	75	107.3 Å²	107.3	46%	0.455	57%	0.574	S	S	.	*			trans	-66.7	128	156.5	-165.6	0	0	0	0	107.3	F413 V417 F426	F413-V415 PolarHBondContact O-N 2.87Å; V415-V417 HydrophobicContact CG1-CG2 3.8Å; V415-V417 PolarHBondContact O-N 3.42Å; V415-V417 VanDerWaalsContact O-N 3.11Å; V415-F426 HydrophobicContact CG2-CE1 4.49Å
416	N	28.5	Very low	34.9	Very low	166 Å²	166	111.3 Å²	111.3	89%	0.888	59%	0.592	S	S	*	*			trans	-74	94.1	164.8	-92.6	-20.4	0	0	0	107.9
417	V	33.4	Very low	33.7	Very low	85 Å²	85	114.3 Å²	114.3	52%	0.515	60%	0.603	S	S	.	*			trans	-125	114.3	157.5	-173.9	0	0	0	0	107.5	V415 S419	V415-V417 HydrophobicContact CG1-CG2 3.8Å; V415-V417 PolarHBondContact O-N 3.42Å; V415-V417 VanDerWaalsContact O-N 3.11Å; V417-S419 VanDerWaalsContact C-N 3.29Å; V417-S419 WeakPolarHBondContact CG1-OG 2.97Å; V417-S419 PolarHBondContact O-N 3.29Å; V417-S419 VanDerWaalsContact O-N 3.13Å
418	A	29.6	Very low	33.3	Very low	112 Å²	112	110.9 Å²	110.9	93%	0.926	59%	0.59	S	S	*	*			trans	-81.1	78.9	170.4	0	0	0	0	0	109.1
419	S	32.6	Very low	33.3	Very low	86 Å²	86	109 Å²	109	60%	0.601	59%	0.59	S	S	*	*	S	Bend	trans	-164.9	151	161.4	57.3	0	0	0	0	109.7	V417 L421	V417-S419 VanDerWaalsContact C-N 3.29Å; V417-S419 WeakPolarHBondContact CG1-OG 2.97Å; V417-S419 PolarHBondContact O-N 3.29Å; V417-S419 VanDerWaalsContact O-N 3.13Å; S419-L421 PolarHBondContact O-N 3.06Å
420	E	28.8	Very low	33.9	Very low	190 Å²	190	114.4 Å²	114.4	89%	0.888	63%	0.625	S	S	*	*	S	Bend	trans	-69.9	87.3	-176.6	-63.5	175	111.9	0	0	112.2
421	L	31.3	Very low	34.6	Very low	141 Å²	141	116.7 Å²	116.7	74%	0.738	63%	0.625	S	S	*	*			trans	-155.5	112	156.6	-136.3	81.8	0	0	0	107.6	S419 L423	S419-L421 PolarHBondContact O-N 3.06Å; L421-L423 VanDerWaalsContact C-N 3.3Å; L421-L423 HydrophobicContact CB-CD1 4.27Å; L421-L423 WeakPolarHBondContact O-CD1 3.4Å; L421-L423 PolarHBondContact O-N 3.46Å
422	A	32	Very low	35.7	Very low	106 Å²	106	114.5 Å²	114.5	88%	0.876	62%	0.622	S	S	*	*			trans	-75.1	80.8	-175	0	0	0	0	0	111.8	F424	A422-F424 PolarHBondContact O-N 3.14Å
423	L	30.5	Very low	37.4	Very low	86 Å²	86	120.5 Å²	120.5	45%	0.45	65%	0.645	S	S	.	*			trans	-51.8	105	175.8	-90.9	70	0	0	0	111.7	L421 L425	L421-L423 VanDerWaalsContact C-N 3.3Å; L421-L423 HydrophobicContact CB-CD1 4.27Å; L421-L423 WeakPolarHBondContact O-CD1 3.4Å; L421-L423 PolarHBondContact O-N 3.46Å; L423-L425 VanDerWaalsContact C-N 3.33Å; L423-L425 WeakPolarHBondContact CD2-O 3.42Å
424	F	29.8	Very low	39.3	Very low	176 Å²	176	120.2 Å²	120.2	77%	0.772	65%	0.647	S	S	*	*	S	Bend	trans	-103.1	26.3	154	-104.6	-77.8	0	0	0	112.3	A422	A422-F424 PolarHBondContact O-N 3.14Å
425	L	30.6	Very low	41.5	Very low	139 Å²	139	113.4 Å²	113.4	73%	0.728	62%	0.621	S	S	*	*	S	Bend	trans	-124.1	126.4	161.3	-66	171.8	0	0	0	105	L423	L423-L425 VanDerWaalsContact C-N 3.33Å; L423-L425 WeakPolarHBondContact CD2-O 3.42Å
426	F	28.8	Very low	43.8	Very low	89 Å²	89	115.1 Å²	115.1	39%	0.39	63%	0.626	S	S	.	*			trans	-55.4	142.1	140.6	-96.5	-90.3	0	0	0	105.3	F413 V415 V428	F413-F426 HydrophobicContact CD1-CD2 4.17Å; F413-F426 HydrophobicContact CD1-CE2 4.05Å; F413-F426 AromaticContact CE1-CD2 3.78Å; F413-F426 HydrophobicContact CE1-CD2 3.78Å; F413-F426 AromaticContact CE1-CE2 3.91Å; F413-F426 HydrophobicContact CE1-CE2 3.91Å; F413-F426 HydrophobicContact CZ-CD2 4.46Å; F413-F426 HydrophobicContact CZ-CE2 4.39Å; V415-F426 HydrophobicContact CG2-CE1 4.49Å; F426-V428 HydrophobicContact CB-CG2 3.52Å; F426-V428 PolarHBondContact O-N 2.99Å
427	E	29.6	Very low	46.4	Very low	179 Å²	179	108.3 Å²	108.3	84%	0.836	59%	0.589	S	S	*	*			trans	-67.5	69.1	158.4	-167.2	173.5	-177.2	0	0	108.1	T429	E427-T429 PolarHBondContact O-N 3.27Å
428	V	37.6	Very low	48.7	Very low	40 Å²	40	105.4 Å²	105.4	24%	0.242	57%	0.572	C	S	.	*			trans	-71.3	108.3	163.7	-172.6	0	0	0	0	103.2	N382 F426 M432	N382-V428 WeakPolarHBondContact ND2-CG1 3.38Å; F426-V428 HydrophobicContact CB-CG2 3.52Å; F426-V428 PolarHBondContact O-N 2.99Å; V428-M432 HydrophobicContact CG1-CB 3.83Å
429	T	38.6	Very low	51.4	Low	64 Å²	64	100.4 Å²	100.4	39%	0.393	53%	0.529	S	S	.	.			trans	-48.4	129.2	165.5	51.2	0	0	0	0	107	E427 N431 M432	E427-T429 PolarHBondContact O-N 3.27Å; T429-N431 WeakPolarHBondContact CB-OD1 3.41Å; T429-N431 PolarHBondContact O-N 3.22Å; T429-N431 PolarHBondContact O-OD1 3.23Å; T429-N431 PolarHBondContact OG1-OD1 3.41Å; T429-M432 PolarHBondContact O-N 3.5Å; T429-M432 WeakPolarHBondContact OG1-CE 3.49Å
430	P	50.8	Low	53.6	Low	144 Å²	144	97.7 Å²	97.7	94%	0.935	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	7.8	-164	22.9	-34.1	0	0	0	115.1
431	N	52.4	Low	56.1	Low	131 Å²	131	88.8 Å²	88.8	70%	0.701	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	-12.8	177.2	60.4	0.2	0	0	0	114.5	T429 K433	T429-N431 WeakPolarHBondContact CB-OD1 3.41Å; T429-N431 PolarHBondContact O-N 3.22Å; T429-N431 PolarHBondContact O-OD1 3.23Å; T429-N431 PolarHBondContact OG1-OD1 3.41Å; N431-K433 PolarHBondContact O-N 3.37Å
432	M	59.7	Low	58.3	Low	99 Å²	99	85.5 Å²	85.5	49%	0.488	45%	0.454	S	S	.	.			trans	-72	128	175.8	-75	-167.8	-102.9	0	0	110	N382 V428 T429 D434	N382-M432 PolarHBondContact ND2-O 3.04Å; V428-M432 HydrophobicContact CG1-CB 3.83Å; T429-M432 PolarHBondContact O-N 3.5Å; T429-M432 WeakPolarHBondContact OG1-CE 3.49Å; M432-D434 VanDerWaalsContact C-N 3.33Å
433	K	76.4	Confident	60.7	Low	155 Å²	155	83.4 Å²	83.4	67%	0.674	43%	0.43	S	S	*	.	S	Bend	trans	-76.1	-26.4	176.4	-169.4	175	-179.8	-178.2	0	112.2	N382 N431	N382-K433 PolarHBondContact N-O 3.04Å; N431-K433 PolarHBondContact O-N 3.37Å
434	D	78	Confident	63.3	Low	65 Å²	65	85.5 Å²	85.5	35%	0.348	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	166.2	-166.9	-54.5	-54	0	0	0	112.4	V379 I380 R381 N382 M432	V379-D434 HydrophobicContact CG1-CB 3.55Å; I380-D434 CarbonylContact O-C 3.59Å; I380-D434 WeakPolarHBondContact O-CA 3.47Å; R381-D434 WeakPolarHBondContact CA-OD1 3.38Å; R381-D434 VanDerWaalsContact CG-OD1 3.25Å; R381-D434 WeakPolarHBondContact CG-OD1 3.21Å; N382-D434 PolarHBondContact ND2-O 3.17Å; M432-D434 VanDerWaalsContact C-N 3.33Å
435	R	80.9	Confident	66	Low	54 Å²	54	84.1 Å²	84.1	20%	0.204	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	148.3	172.2	66	179.1	65.2	-167.9	-2.1	110.8	V379 I380 N382 S385	V379-R435 WeakPolarHBondContact CA-O 3.35Å; I380-R435 HydrophobicContact CD1-CG 4.35Å; I380-R435 HydrophobicContact CG1-CG 3.67Å; I380-R435 PolarHBondContact N-O 2.78Å; I380-R435 PolarHBondContact O-N 3.39Å; N382-R435 PolarHBondContact OD1-NE 3.41Å; N382-R435 PolarHBondContact OD1-NH2 3.07Å; S385-R435 VanDerWaalsContact CB-NE 3.33Å; S385-R435 VanDerWaalsContact CB-NH1 3.33Å; S385-R435 PolarHBondContact OG-NH1 3.46Å; S385-R435 PolarHBondContact OG-NH2 3.27Å
436	M	78.9	Confident	68.5	Low	111 Å²	111	77.9 Å²	77.9	55%	0.547	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	138.6	173.7	-168.6	178.9	-76.4	0	0	110.7	E377 I378	E377-M436 HydrophobicContact CB-CG 4.17Å; E377-M436 HydrophobicContact CB-SD 4.08Å; E377-M436 HydrophobicContact CG-SD 4.17Å; I378-M436 CarbonylContact O-C 3.3Å; I378-M436 WeakPolarHBondContact O-CA 3.38Å
437	I	84.1	Confident	71.2	Confident	22 Å²	22	73.9 Å²	73.9	11%	0.113	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	125.6	169.3	-66.7	177.7	0	0	0	107.3	E377 I378 I380 I439	E377-I437 WeakPolarHBondContact CA-O 3.32Å; I378-I437 HydrophobicContact CD1-CB 4.46Å; I378-I437 HydrophobicContact CG1-CB 3.81Å; I378-I437 HydrophobicContact CG1-CG2 4.26Å; I378-I437 PolarHBondContact N-O 3.38Å; I378-I437 PolarHBondContact O-N 3.29Å; I380-I437 HydrophobicContact CD1-CD1 3.43Å; I380-I437 VanDerWaalsContact CD1-CD1 3.43Å; I380-I437 HydrophobicContact CD1-CG1 4.42Å; I380-I437 HydrophobicContact CG1-CD1 3.74Å; I380-I437 HydrophobicContact CG1-CG1 4.3Å; I380-I437 HydrophobicContact CG2-CD1 4.28Å; I437-I439 HydrophobicContact CG2-CG1 4.38Å
438	T	82.6	Confident	74	Confident	25 Å²	25	70.7 Å²	70.7	15%	0.153	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	141.3	165.8	-52.9	0	0	0	0	110.1	R375 A376 E377 C412	R375-T438 HydrophobicContact CG-CG2 3.9Å; R375-T438 PolarHBondContact NH2-OG1 3.11Å; A376-T438 CarbonylContact O-C 3.55Å; A376-T438 WeakPolarHBondContact O-CA 3.46Å; E377-T438 HydrophobicContact CG-CG2 4.41Å; C412-T438 PolarHBondContact SG-O 3.27Å
439	I	84.5	Confident	76.4	Confident	6 Å²	6	73.3 Å²	73.3	3%	0.031	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	127.9	167.5	-53.3	174.4	0	0	0	107	R375 A376 I378 T405 I437 I447 A450 K451 I454	R375-I439 WeakPolarHBondContact CA-O 3.49Å; A376-I439 PolarHBondContact N-O 3.38Å; A376-I439 PolarHBondContact O-N 3.01Å; I378-I439 HydrophobicContact CD1-CD1 4.06Å; I378-I439 HydrophobicContact CG1-CD1 4.43Å; I378-I439 HydrophobicContact CG2-CD1 4.08Å; T405-I439 HydrophobicContact CG2-CG2 4.08Å; I437-I439 HydrophobicContact CG2-CG1 4.38Å; I439-I447 HydrophobicContact CG2-CG1 4.11Å; I439-I447 HydrophobicContact CG2-CG2 4.35Å; I439-A450 HydrophobicContact CD1-CB 4.09Å; I439-A450 HydrophobicContact CG2-CB 3.81Å; I439-K451 HydrophobicContact CD1-CG 4.13Å; I439-I454 HydrophobicContact CD1-CD1 3.72Å; I439-I454 HydrophobicContact CG1-CD1 4.35Å
440	N	80.4	Confident	78.8	Confident	29 Å²	29	70.4 Å²	70.4	16%	0.155	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	130.8	171.9	-52	-71.4	0	0	0	108.3	I373 C374 R375 T405	I373-N440 HydrophobicContact CG2-CB 4.17Å; C374-N440 WeakPolarHBondContact O-CA 3.24Å; R375-N440 WeakPolarHBondContact CG-OD1 3.28Å; T405-N440 WeakPolarHBondContact CB-O 3.43Å
441	G	79.8	Confident	80.6	Confident	3 Å²	3	65.9 Å²	65.9	3%	0.031	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	157.4	-175.7	0	0	0	0	0	112.9	I373 C374 T443	I373-G441 WeakPolarHBondContact CA-O 3.3Å; C374-G441 PolarHBondContact N-O 2.9Å; C374-G441 PolarHBondContact O-N 2.77Å; G441-T443 PolarHBondContact O-N 2.96Å
442	P	78.8	Confident	82.4	Confident	73 Å²	73	67.1 Å²	67.1	47%	0.474	33%	0.328	S	S	.	.	S	Bend	trans	-72	-19.6	175.4	31	-35.9	0	0	0	113.2	A446	P442-A446 HydrophobicContact CG-CB 4.25Å
443	T	82.5	Confident	83.8	Confident	61 Å²	61	64.1 Å²	64.1	37%	0.374	31%	0.313	S	S	.	.	S	Bend	trans	-143.7	164.4	177.6	60.5	0	0	0	0	109.7	G441 A446	G441-T443 PolarHBondContact O-N 2.96Å; T443-A446 PolarHBondContact O-N 3.09Å; T443-A446 WeakPolarHBondContact OG1-CB 3.28Å; T443-A446 PolarHBondContact OG1-N 3.14Å
444	E	85.3	Confident	84.5	Confident	130 Å²	130	57.2 Å²	57.2	61%	0.607	28%	0.284	S	S	*	.	H	α-helix	trans	-67.8	-39	173	-175.4	157.2	-149.1	0	0	111.6	C374 A446 I447 E448	C374-E444 PolarHBondContact SG-N 3.35Å; E444-A446 VanDerWaalsContact C-N 3.28Å; E444-A446 PolarHBondContact O-N 3.25Å; E444-I447 CarbonylContact O-C 3.58Å; E444-I447 WeakPolarHBondContact O-CA 3.32Å; E444-I447 WeakPolarHBondContact O-CB 2.86Å; E444-I447 PolarHBondContact O-N 3.33Å; E444-E448 PolarHBondContact O-N 3.4Å
445	E	85.9	Confident	85	Confident	148 Å²	148	57.1 Å²	57.1	69%	0.692	28%	0.281	S	S	*	.	H	α-helix	trans	-54.4	-40.3	173.3	-60.4	173.4	174.7	0	0	112.9	I447 E448 M449	E445-I447 VanDerWaalsContact C-N 3.28Å; E445-I447 PolarHBondContact O-N 2.88Å; E445-E448 PolarHBondContact O-N 3.35Å; E445-M449 VanDerWaalsContact O-CB 3.32Å; E445-M449 WeakPolarHBondContact O-CB 3.38Å; E445-M449 PolarHBondContact O-N 2.92Å
446	A	83.8	Confident	85.3	Confident	7 Å²	7	56.9 Å²	56.9	6%	0.058	28%	0.282	C	S	.	.	H	α-helix	trans	-64	-34.5	175.4	0	0	0	0	0	111.9	S403 T405 P442 T443 E444 A450	S403-A446 WeakPolarHBondContact O-CB 3.22Å; T405-A446 HydrophobicContact CG2-CB 4.41Å; P442-A446 HydrophobicContact CG-CB 4.25Å; T443-A446 PolarHBondContact O-N 3.09Å; T443-A446 WeakPolarHBondContact OG1-CB 3.28Å; T443-A446 PolarHBondContact OG1-N 3.14Å; E444-A446 VanDerWaalsContact C-N 3.28Å; E444-A446 PolarHBondContact O-N 3.25Å; A446-A450 WeakPolarHBondContact O-CB 3.45Å; A446-A450 PolarHBondContact O-N 2.79Å
447	I	84.5	Confident	85.8	Confident	5 Å²	5	52.7 Å²	52.7	3%	0.026	26%	0.263	C	S	.	.	H	α-helix	trans	-74	-42	175.6	-65.5	-176.2	0	0	0	111.2	C374 A376 I439 E444 E445 M449 A450 K451	C374-I447 VanDerWaalsContact C-CD1 3.42Å; C374-I447 HydrophobicContact CB-CD1 3.38Å; C374-I447 HydrophobicContact CB-CG1 4.35Å; C374-I447 WeakPolarHBondContact O-CD1 3.46Å; A376-I447 HydrophobicContact CB-CD1 4.35Å; A376-I447 HydrophobicContact CB-CG2 3.49Å; A376-I447 VanDerWaalsContact CB-CG2 3.49Å; I439-I447 HydrophobicContact CG2-CG1 4.11Å; I439-I447 HydrophobicContact CG2-CG2 4.35Å; E444-I447 CarbonylContact O-C 3.58Å; E444-I447 WeakPolarHBondContact O-CA 3.32Å; E444-I447 WeakPolarHBondContact O-CB 2.86Å; E444-I447 PolarHBondContact O-N 3.33Å; E445-I447 VanDerWaalsContact C-N 3.28Å; E445-I447 PolarHBondContact O-N 2.88Å; I447-M449 VanDerWaalsContact C-N 3.31Å; I447-M449 PolarHBondContact O-N 3.2Å; I447-A450 PolarHBondContact O-N 3.12Å; I447-K451 HydrophobicContact CG2-CD 4.26Å; I447-K451 HydrophobicContact CG2-CG 4.41Å; I447-K451 WeakPolarHBondContact O-CB 3.19Å; I447-K451 VanDerWaalsContact O-CG 3.3Å; I447-K451 WeakPolarHBondContact O-CG 3.39Å; I447-K451 PolarHBondContact O-N 3.33Å
448	E	88.2	Confident	86	Confident	113 Å²	113	52.5 Å²	52.5	53%	0.528	26%	0.262	S	S	.	.	H	α-helix	trans	-62.3	-40.8	174.3	-67.1	-169.5	157.2	0	0	111.7	E444 E445 K451 K452	E444-E448 PolarHBondContact O-N 3.4Å; E445-E448 PolarHBondContact O-N 3.35Å; E448-K451 WeakPolarHBondContact O-CB 3.22Å; E448-K451 PolarHBondContact O-N 3.39Å; E448-K452 WeakPolarHBondContact O-CB 3.41Å; E448-K452 PolarHBondContact O-N 3.1Å
449	M	88.4	Confident	86.3	Confident	95 Å²	95	57.8 Å²	57.8	47%	0.468	28%	0.28	S	S	.	.	H	α-helix	trans	-61.8	-45.3	172.5	-167.5	-179.7	-59.9	0	0	111.3	E445 I447 K452 L453	E445-M449 VanDerWaalsContact O-CB 3.32Å; E445-M449 WeakPolarHBondContact O-CB 3.38Å; E445-M449 PolarHBondContact O-N 2.92Å; I447-M449 VanDerWaalsContact C-N 3.31Å; I447-M449 PolarHBondContact O-N 3.2Å; M449-K452 PolarHBondContact O-N 3.35Å; M449-L453 HydrophobicContact CG-CD1 4.07Å; M449-L453 WeakPolarHBondContact O-CB 3.33Å; M449-L453 VanDerWaalsContact O-CG 3.24Å; M449-L453 WeakPolarHBondContact O-CG 3.44Å; M449-L453 PolarHBondContact O-N 3.45Å
450	A	88.1	Confident	86.3	Confident	2 Å²	2	65 Å²	65	2%	0.017	31%	0.306	C	S	.	.	H	α-helix	trans	-61.3	-44.3	174.4	0	0	0	0	0	112.4	T405 I439 A446 I447 K452 L453 I454	T405-A450 HydrophobicContact CG2-CB 4.24Å; I439-A450 HydrophobicContact CD1-CB 4.09Å; I439-A450 HydrophobicContact CG2-CB 3.81Å; A446-A450 WeakPolarHBondContact O-CB 3.45Å; A446-A450 PolarHBondContact O-N 2.79Å; I447-A450 PolarHBondContact O-N 3.12Å; A450-K452 PolarHBondContact O-N 3.33Å; A450-L453 PolarHBondContact O-N 3.19Å; A450-I454 WeakPolarHBondContact O-CB 3.47Å; A450-I454 VanDerWaalsContact O-CG1 3.23Å; A450-I454 WeakPolarHBondContact O-CG1 3.38Å; A450-I454 PolarHBondContact O-N 2.24Å
451	K	88.9	Confident	86.4	Confident	50 Å²	50	64.9 Å²	64.9	22%	0.217	31%	0.306	C	S	.	.	H	α-helix	trans	-56.4	-50.3	174.4	-75.4	171	178	172.3	0	110.9	I378 I439 I447 E448 L453 I454 E455 F482	I378-K451 HydrophobicContact CG2-CG 4.18Å; I439-K451 HydrophobicContact CD1-CG 4.13Å; I447-K451 HydrophobicContact CG2-CD 4.26Å; I447-K451 HydrophobicContact CG2-CG 4.41Å; I447-K451 WeakPolarHBondContact O-CB 3.19Å; I447-K451 VanDerWaalsContact O-CG 3.3Å; I447-K451 WeakPolarHBondContact O-CG 3.39Å; I447-K451 PolarHBondContact O-N 3.33Å; E448-K451 WeakPolarHBondContact O-CB 3.22Å; E448-K451 PolarHBondContact O-N 3.39Å; K451-L453 PolarHBondContact O-N 3.01Å; K451-I454 PolarHBondContact O-N 3.18Å; K451-E455 PolarHBondContact O-N 3.38Å; K451-F482 HydrophobicContact CB-CE1 4.18Å; K451-F482 HydrophobicContact CB-CE2 4.34Å; K451-F482 HydrophobicContact CB-CZ 3.76Å; K451-F482 HydrophobicContact CD-CD1 4.07Å; K451-F482 HydrophobicContact CD-CE1 3.75Å; K451-F482 HydrophobicContact CD-CZ 4.15Å; K451-F482 HydrophobicContact CG-CE1 3.7Å; K451-F482 HydrophobicContact CG-CZ 3.81Å
452	K	90.8	Very high	86.1	Confident	157 Å²	157	67.7 Å²	67.7	68%	0.683	32%	0.322	S	S	*	.	H	α-helix	trans	-62.7	-41.1	178.5	-173.4	175.2	-177.7	175.1	0	112.3	E448 M449 A450 E456	E448-K452 WeakPolarHBondContact O-CB 3.41Å; E448-K452 PolarHBondContact O-N 3.1Å; M449-K452 PolarHBondContact O-N 3.35Å; A450-K452 PolarHBondContact O-N 3.33Å; K452-E456 WeakPolarHBondContact O-CB 3.22Å; K452-E456 PolarHBondContact O-N 3.1Å
453	L	90	Very high	84.5	Confident	35 Å²	35	67.7 Å²	67.7	18%	0.183	32%	0.324	C	S	.	.	H	α-helix	trans	-67.6	-37	175.9	-73.6	168.9	0	0	0	112.4	I399 M402 M449 A450 K451 T457	I399-L453 HydrophobicContact CG1-CB 4.27Å; I399-L453 HydrophobicContact CG2-CB 4.16Å; M402-L453 HydrophobicContact CB-CD1 3.67Å; M402-L453 HydrophobicContact CE-CD2 4.21Å; M402-L453 HydrophobicContact SD-CD2 4.32Å; M449-L453 HydrophobicContact CG-CD1 4.07Å; M449-L453 WeakPolarHBondContact O-CB 3.33Å; M449-L453 VanDerWaalsContact O-CG 3.24Å; M449-L453 WeakPolarHBondContact O-CG 3.44Å; M449-L453 PolarHBondContact O-N 3.45Å; A450-L453 PolarHBondContact O-N 3.19Å; K451-L453 PolarHBondContact O-N 3.01Å; L453-T457 WeakPolarHBondContact O-CB 3.34Å; L453-T457 PolarHBondContact O-N 2.97Å; L453-T457 PolarHBondContact O-OG1 3.16Å
454	I	90.4	Very high	82.7	Confident	11 Å²	11	70.8 Å²	70.8	6%	0.056	35%	0.345	C	S	.	.	H	α-helix	trans	-66.6	-48.2	174.2	-71.3	164.8	0	0	0	110.2	I378 I380 V388 I399 I439 A450 K451 E456 T457 I458	I378-I454 HydrophobicContact CD1-CD1 3.79Å; I378-I454 HydrophobicContact CD1-CG2 3.97Å; I380-I454 HydrophobicContact CG2-CG2 4.43Å; V388-I454 HydrophobicContact CG1-CG1 4.22Å; V388-I454 HydrophobicContact CG1-CG2 4.26Å; V388-I454 HydrophobicContact CG2-CG2 3.9Å; I399-I454 HydrophobicContact CD1-CG1 4.01Å; I399-I454 HydrophobicContact CG2-CG1 4.02Å; I439-I454 HydrophobicContact CD1-CD1 3.72Å; I439-I454 HydrophobicContact CG1-CD1 4.35Å; A450-I454 WeakPolarHBondContact O-CB 3.47Å; A450-I454 VanDerWaalsContact O-CG1 3.23Å; A450-I454 WeakPolarHBondContact O-CG1 3.38Å; A450-I454 PolarHBondContact O-N 2.24Å; K451-I454 PolarHBondContact O-N 3.18Å; I454-E456 PolarHBondContact O-N 3.49Å; I454-T457 PolarHBondContact O-N 3.37Å; I454-I458 HydrophobicContact CG2-CD1 4.06Å; I454-I458 WeakPolarHBondContact O-CG1 3.49Å; I454-I458 PolarHBondContact O-N 3.22Å
455	E	88.6	Confident	80.8	Confident	63 Å²	63	70.2 Å²	70.2	29%	0.294	35%	0.346	S	S	.	.	H	α-helix	trans	-59.1	-49.4	177.5	-166.1	-159.7	156.8	0	0	111.2	K451 T457 I458 R459 V480	K451-E455 PolarHBondContact O-N 3.38Å; E455-T457 VanDerWaalsContact C-N 3.3Å; E455-T457 PolarHBondContact O-N 3.45Å; E455-I458 PolarHBondContact O-N 3.41Å; E455-R459 VanDerWaalsContact O-CB 3.29Å; E455-R459 WeakPolarHBondContact O-CB 3.5Å; E455-R459 PolarHBondContact O-N 2.98Å; E455-R459 IonicContact OE1-CZ 2.85Å; E455-R459 IonicContact OE1-NE 2.66Å; E455-R459 IonicContact OE1-NH2 3.56Å; E455-R459 PolarHBondContact OE1-NH2 2.8Å; E455-R459 IonicContact OE2-NH2 2.82Å; E455-V480 HydrophobicContact CG-CG2 4.2Å
456	E	87.6	Confident	78.8	Confident	48 Å²	48	70.2 Å²	70.2	22%	0.224	34%	0.34	C	S	.	.	H	α-helix	trans	-64.1	-35.3	178.1	-175.8	64.7	-175.5	0	0	111.7	K452 I454 R459 R460	K452-E456 WeakPolarHBondContact O-CB 3.22Å; K452-E456 PolarHBondContact O-N 3.1Å; I454-E456 PolarHBondContact O-N 3.49Å; E456-R459 PolarHBondContact O-N 3.02Å; E456-R459 IonicContact OE2-CZ 3.17Å; E456-R459 IonicContact OE2-NE 3.63Å; E456-R459 IonicContact OE2-NH1 3.54Å; E456-R459 PolarHBondContact OE2-NH1 3.29Å; E456-R460 HydrophobicContact CG-CG 4.45Å; E456-R460 VanDerWaalsContact O-CB 3.29Å; E456-R460 WeakPolarHBondContact O-CB 3.27Å; E456-R460 VanDerWaalsContact O-CG 3.23Å; E456-R460 WeakPolarHBondContact O-CG 3.33Å; E456-R460 PolarHBondContact O-N 3.38Å; E456-R460 IonicContact OE1-CZ 2.77Å; E456-R460 IonicContact OE1-NE 2.75Å; E456-R460 PolarHBondContact OE1-NE 3.44Å; E456-R460 IonicContact OE1-NH2 3.22Å; E456-R460 PolarHBondContact OE1-NH2 2.88Å
457	T	87.7	Confident	76.7	Confident	24 Å²	24	77 Å²	77	15%	0.147	38%	0.38	C	S	.	.	H	α-helix	trans	-66.7	-40.5	173.6	-64	0	0	0	0	111.7	K387 R395 I399 L453 I454 E455 N461	K387-T457 WeakPolarHBondContact O-CG2 3.45Å; R395-T457 HydrophobicContact CB-CG2 4.45Å; I399-T457 HydrophobicContact CD1-CG2 4.29Å; L453-T457 WeakPolarHBondContact O-CB 3.34Å; L453-T457 PolarHBondContact O-N 2.97Å; L453-T457 PolarHBondContact O-OG1 3.16Å; I454-T457 PolarHBondContact O-N 3.37Å; E455-T457 VanDerWaalsContact C-N 3.3Å; E455-T457 PolarHBondContact O-N 3.45Å; T457-N461 VanDerWaalsContact O-CB 3.32Å; T457-N461 WeakPolarHBondContact O-CB 3.4Å; T457-N461 PolarHBondContact O-N 3.09Å; T457-N461 PolarHBondContact O-ND2 2.9Å
458	I	89.2	Confident	74.8	Confident	17 Å²	17	86.1 Å²	86.1	9%	0.087	42%	0.419	C	S	.	.	H	α-helix	trans	-62.8	-54.5	173	-67.3	170.2	0	0	0	108.9	I380 D384 V388 I454 E455 R460 N461 V462	I380-I458 HydrophobicContact CB-CD1 4.37Å; I380-I458 HydrophobicContact CG2-CD1 4.05Å; D384-I458 HydrophobicContact CB-CD1 4Å; D384-I458 HydrophobicContact CB-CG1 4.07Å; D384-I458 HydrophobicContact CB-CG2 4.01Å; V388-I458 HydrophobicContact CG2-CD1 3.78Å; V388-I458 HydrophobicContact CG2-CG1 3.43Å; V388-I458 VanDerWaalsContact CG2-CG1 3.43Å; I454-I458 HydrophobicContact CG2-CD1 4.06Å; I454-I458 WeakPolarHBondContact O-CG1 3.49Å; I454-I458 PolarHBondContact O-N 3.22Å; E455-I458 PolarHBondContact O-N 3.41Å; I458-R460 PolarHBondContact O-N 3.15Å; I458-N461 CarbonylContact O-C 3.44Å; I458-N461 VanDerWaalsContact O-C 3.3Å; I458-N461 WeakPolarHBondContact O-CA 3.5Å; I458-N461 PolarHBondContact O-N 3.39Å; I458-V462 HydrophobicContact CG2-CG2 4.32Å; I458-V462 VanDerWaalsContact O-CG2 3.24Å; I458-V462 WeakPolarHBondContact O-CG2 3.32Å; I458-V462 PolarHBondContact O-N 3.33Å
459	R	88.5	Confident	72.2	Confident	137 Å²	137	88.7 Å²	88.7	52%	0.517	44%	0.437	S	S	.	.	H	α-helix	trans	-52.6	-50.5	-177.5	-167.8	-171.4	-64.5	164.3	-13.3	112.2	E455 E456 N461 V462	E455-R459 VanDerWaalsContact O-CB 3.29Å; E455-R459 WeakPolarHBondContact O-CB 3.5Å; E455-R459 PolarHBondContact O-N 2.98Å; E455-R459 IonicContact OE1-CZ 2.85Å; E455-R459 IonicContact OE1-NE 2.66Å; E455-R459 IonicContact OE1-NH2 3.56Å; E455-R459 PolarHBondContact OE1-NH2 2.8Å; E455-R459 IonicContact OE2-NH2 2.82Å; E456-R459 PolarHBondContact O-N 3.02Å; E456-R459 IonicContact OE2-CZ 3.17Å; E456-R459 IonicContact OE2-NE 3.63Å; E456-R459 IonicContact OE2-NH1 3.54Å; E456-R459 PolarHBondContact OE2-NH1 3.29Å; R459-N461 PolarHBondContact O-N 3.37Å; R459-V462 PolarHBondContact O-N 3.29Å
460	R	85.2	Confident	69.7	Low	158 Å²	158	87.4 Å²	87.4	60%	0.596	45%	0.448	S	S	*	.	H	α-helix	trans	-64.6	-20.3	176.9	-73.6	177.9	-172.8	178	9.3	114.6	L300 E456 I458	L300-R460 HydrophobicContact CD1-CB 4.21Å; E456-R460 HydrophobicContact CG-CG 4.45Å; E456-R460 VanDerWaalsContact O-CB 3.29Å; E456-R460 WeakPolarHBondContact O-CB 3.27Å; E456-R460 VanDerWaalsContact O-CG 3.23Å; E456-R460 WeakPolarHBondContact O-CG 3.33Å; E456-R460 PolarHBondContact O-N 3.38Å; E456-R460 IonicContact OE1-CZ 2.77Å; E456-R460 IonicContact OE1-NE 2.75Å; E456-R460 PolarHBondContact OE1-NE 3.44Å; E456-R460 IonicContact OE1-NH2 3.22Å; E456-R460 PolarHBondContact OE1-NH2 2.88Å; I458-R460 PolarHBondContact O-N 3.15Å
461	N	82.7	Confident	67	Low	26 Å²	26	95.7 Å²	95.7	14%	0.139	49%	0.492	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.5	15.6	-174.3	-67.5	-82.8	0	0	0	112.9	K387 R395 T457 I458 R459 S463	K387-N461 HydrophobicContact CB-CB 3.9Å; K387-N461 HydrophobicContact CD-CB 4.38Å; K387-N461 WeakPolarHBondContact CD-O 3.4Å; K387-N461 VanDerWaalsContact CE-O 3.23Å; K387-N461 WeakPolarHBondContact CE-O 3.2Å; K387-N461 HydrophobicContact CG-CB 4.12Å; R395-N461 VanDerWaalsContact CZ-CG 3.49Å; R395-N461 PolarHBondContact NH1-ND2 2.68Å; R395-N461 PolarHBondContact NH1-OD1 3.27Å; R395-N461 PolarHBondContact NH2-OD1 3.15Å; T457-N461 VanDerWaalsContact O-CB 3.32Å; T457-N461 WeakPolarHBondContact O-CB 3.4Å; T457-N461 PolarHBondContact O-N 3.09Å; T457-N461 PolarHBondContact O-ND2 2.9Å; I458-N461 CarbonylContact O-C 3.44Å; I458-N461 VanDerWaalsContact O-C 3.3Å; I458-N461 WeakPolarHBondContact O-CA 3.5Å; I458-N461 PolarHBondContact O-N 3.39Å; R459-N461 PolarHBondContact O-N 3.37Å; N461-S463 VanDerWaalsContact C-N 3.33Å; N461-S463 PolarHBondContact O-N 3.2Å
462	V	72.6	Confident	64.3	Low	62 Å²	62	97 Å²	97	38%	0.376	52%	0.52	S	S	.	.			trans	-67.1	97.9	163.4	-174.6	0	0	0	0	107.2	I458 R459	I458-V462 HydrophobicContact CG2-CG2 4.32Å; I458-V462 VanDerWaalsContact O-CG2 3.24Å; I458-V462 WeakPolarHBondContact O-CG2 3.32Å; I458-V462 PolarHBondContact O-N 3.33Å; R459-V462 PolarHBondContact O-N 3.29Å
463	S	44.8	Very low	61.6	Low	73 Å²	73	102 Å²	102	51%	0.51	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-50.1	130.1	160.9	-57	0	0	0	0	108	N461 D465	N461-S463 VanDerWaalsContact C-N 3.33Å; N461-S463 PolarHBondContact O-N 3.2Å; S463-D465 PolarHBondContact O-N 3.12Å; S463-D465 VanDerWaalsContact O-N 3.11Å
464	P	46.1	Very low	58.7	Low	126 Å²	126	103.2 Å²	103.2	82%	0.818	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-49.1	122	174.3	-28.8	35.8	0	0	0	109.6	R466	P464-R466 PolarHBondContact O-N 3.48Å
465	D	44	Very low	56	Low	117 Å²	117	109.2 Å²	109.2	63%	0.626	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-65.5	126.7	-159.7	-145.5	-13.2	0	0	0	110.4	S463 V467	S463-D465 PolarHBondContact O-N 3.12Å; S463-D465 VanDerWaalsContact O-N 3.11Å; D465-V467 PolarHBondContact O-N 3Å
466	R	44.7	Very low	53.5	Low	149 Å²	149	111.8 Å²	111.8	56%	0.562	61%	0.608	S	S	*	*			trans	-74.2	94.4	-178.6	-105.4	-176.1	167.1	164.6	-0.4	108.1	P305 T307 P464 K468	P305-R466 PolarHBondContact O-NH1 3.4Å; P305-R466 PolarHBondContact O-NH2 2.8Å; T307-R466 VanDerWaalsContact CG2-NH1 3.3Å; P464-R466 PolarHBondContact O-N 3.48Å; R466-K468 PolarHBondContact O-N 3.06Å
467	V	40.3	Very low	51	Low	150 Å²	150	118.7 Å²	118.7	91%	0.909	64%	0.638	S	S	*	*			trans	-47.8	106.6	172	-82.7	0	0	0	0	110.7	D465	D465-V467 PolarHBondContact O-N 3Å
468	K	43.3	Very low	48.7	Very low	195 Å²	195	122.6 Å²	122.6	85%	0.848	67%	0.666	S	S	*	*			trans	-131.8	77.8	172.5	-152.3	179.7	-173.3	-172.9	0	110.5	R466	R466-K468 PolarHBondContact O-N 3.06Å
469	N	34.4	Very low	46.3	Very low	167 Å²	167	131.8 Å²	131.8	89%	0.893	70%	0.701	S	S	*	*			trans	49.5	117.4	147.5	-155.9	22.8	0	0	0	119.4
470	G	34.6	Very low	44.2	Very low	68 Å²	68	127.6 Å²	127.6	70%	0.701	69%	0.691	S	S	*	*	S	Bend	trans	121.4	101.1	158.2	0	0	0	0	0	115.9
471	N	32.8	Very low	42.1	Very low	176 Å²	176	127 Å²	127	94%	0.941	70%	0.699	S	S	*	*			trans	36.1	97.2	159	-73.7	6.2	0	0	0	119
472	G	32.3	Very low	40	Very low	78 Å²	78	129.8 Å²	129.8	80%	0.804	71%	0.71	S	S	*	*			trans	-173.8	111.5	163.5	0	0	0	0	0	113.4
473	R	33.4	Very low	38.4	Very low	261 Å²	261	131.8 Å²	131.8	99%	0.985	73%	0.727	S	S	*	*			trans	-62.4	134.3	176	-70.5	153.3	71.1	171.2	1.6	110.8
474	G	29.9	Very low	37.9	Very low	62 Å²	62	132.7 Å²	132.7	64%	0.639	74%	0.739	S	S	*	*			trans	100.5	84.4	151.5	0	0	0	0	0	117.4	T476	G474-T476 VanDerWaalsContact C-N 3.29Å
475	N	33.1	Very low	37.3	Very low	137 Å²	137	132.5 Å²	132.5	73%	0.733	74%	0.741	S	S	*	*			trans	-96.4	58.7	147.2	-105.3	8.7	0	0	0	109.1
476	T	36.1	Very low	37.2	Very low	117 Å²	117	133 Å²	133	72%	0.718	75%	0.748	S	S	*	*			trans	-84.4	132.4	156.8	-61.6	0	0	0	0	106.2	G474 S478	G474-T476 VanDerWaalsContact C-N 3.29Å; T476-S478 VanDerWaalsContact C-N 3.29Å; T476-S478 PolarHBondContact O-N 2.96Å
477	F	35.2	Very low	36.6	Very low	193 Å²	193	135.4 Å²	135.4	85%	0.846	77%	0.765	S	S	*	*			trans	-61.9	87.4	177.1	-79.5	-102.8	0	0	0	110.8
478	S	39.2	Very low	36.4	Very low	105 Å²	105	133.5 Å²	133.5	73%	0.734	76%	0.759	S	S	*	*			trans	-101.1	94.6	173.6	55.3	0	0	0	0	109.1	T476	T476-S478 VanDerWaalsContact C-N 3.29Å; T476-S478 PolarHBondContact O-N 2.96Å
479	Y	39.9	Very low	36.1	Very low	210 Å²	210	133.1 Å²	133.1	82%	0.824	76%	0.76	S	S	*	*			trans	25.4	116.7	154.5	-76	-94.9	0	0	0	118.2	N481	Y479-N481 PolarHBondContact O-N 2.91Å; Y479-N481 VanDerWaalsContact O-N 3.13Å
480	V	42.8	Very low	36.3	Very low	50 Å²	50	132.8 Å²	132.8	30%	0.303	76%	0.758	S	S	.	*			trans	-38.9	117.2	141	-82.9	0	0	0	0	109.1	E455 F482	E455-V480 HydrophobicContact CG-CG2 4.2Å; V480-F482 VanDerWaalsContact C-N 3.28Å; V480-F482 HydrophobicContact CB-CD2 3.97Å; V480-F482 HydrophobicContact CB-CE2 3.77Å; V480-F482 HydrophobicContact CB-CZ 4.33Å; V480-F482 HydrophobicContact CG2-CD2 3.6Å; V480-F482 HydrophobicContact CG2-CE2 3.46Å; V480-F482 VanDerWaalsContact CG2-CE2 3.46Å; V480-F482 HydrophobicContact CG2-CZ 4.43Å; V480-F482 PolarHBondContact O-N 3.06Å
481	N	42.5	Very low	36.2	Very low	145 Å²	145	137 Å²	137	78%	0.775	77%	0.765	S	S	*	*			trans	-76.1	81.6	-170.1	-164.9	14	0	0	0	110.5	Y479	Y479-N481 PolarHBondContact O-N 2.91Å; Y479-N481 VanDerWaalsContact O-N 3.13Å
482	F	38.9	Very low	36.5	Very low	85 Å²	85	134.3 Å²	134.3	37%	0.373	75%	0.754	S	S	.	*			trans	-98.2	61.5	174.4	-67.4	-52.8	0	0	0	110.7	I378 K451 V480	I378-F482 HydrophobicContact CB-CE1 4.05Å; I378-F482 HydrophobicContact CG2-CE1 3.7Å; K451-F482 HydrophobicContact CB-CE1 4.18Å; K451-F482 HydrophobicContact CB-CE2 4.34Å; K451-F482 HydrophobicContact CB-CZ 3.76Å; K451-F482 HydrophobicContact CD-CD1 4.07Å; K451-F482 HydrophobicContact CD-CE1 3.75Å; K451-F482 HydrophobicContact CD-CZ 4.15Å; K451-F482 HydrophobicContact CG-CE1 3.7Å; K451-F482 HydrophobicContact CG-CZ 3.81Å; V480-F482 VanDerWaalsContact C-N 3.28Å; V480-F482 HydrophobicContact CB-CD2 3.97Å; V480-F482 HydrophobicContact CB-CE2 3.77Å; V480-F482 HydrophobicContact CB-CZ 4.33Å; V480-F482 HydrophobicContact CG2-CD2 3.6Å; V480-F482 HydrophobicContact CG2-CE2 3.46Å; V480-F482 VanDerWaalsContact CG2-CE2 3.46Å; V480-F482 HydrophobicContact CG2-CZ 4.43Å; V480-F482 PolarHBondContact O-N 3.06Å
483	S	37.5	Very low	36.7	Very low	103 Å²	103	137.3 Å²	137.3	72%	0.72	76%	0.757	S	S	*	*			trans	-111.3	114.5	164.7	-74.3	0	0	0	0	109.3
484	A	35.5	Very low	36.6	Very low	92 Å²	92	134.8 Å²	134.8	76%	0.76	75%	0.753	S	S	*	*			trans	-64.7	145	168.6	0	0	0	0	0	109.6	V486	A484-V486 PolarHBondContact O-N 3.2Å
485	S	32.5	Very low	36.7	Very low	123 Å²	123	135.6 Å²	135.6	86%	0.86	76%	0.762	S	S	*	*			trans	-69.4	97.3	176.4	27.7	0	0	0	0	111.3
486	V	42.5	Very low	36.7	Very low	128 Å²	128	139 Å²	139	78%	0.776	77%	0.77	S	S	*	*			trans	-131.8	108.1	151.9	-76.5	0	0	0	0	107.9	A484 S488	A484-V486 PolarHBondContact O-N 3.2Å; V486-S488 PolarHBondContact O-N 2.81Å
487	E	32.7	Very low	36.8	Very low	199 Å²	199	138.9 Å²	138.9	93%	0.93	77%	0.774	S	S	*	*			trans	-80.1	107.2	174.7	-63.6	180	145.2	0	0	108.3
488	S	35.7	Very low	37	Very low	110 Å²	110	136.7 Å²	136.7	77%	0.769	77%	0.771	S	S	*	*			trans	-143.9	120.1	167.4	-64.3	0	0	0	0	107.5	V486	V486-S488 PolarHBondContact O-N 2.81Å
489	E	36.8	Very low	37.2	Very low	186 Å²	186	139.8 Å²	139.8	87%	0.869	77%	0.774	S	S	*	*			trans	-76.9	-178.7	179.5	-61.5	176	107.6	0	0	111
490	D	38	Very low	37.4	Very low	161 Å²	161	137.3 Å²	137.3	86%	0.861	78%	0.775	S	S	*	*			trans	92.7	108.4	168.5	-56.6	-33.3	0	0	0	120.8
491	D	32.6	Very low	37.5	Very low	157 Å²	157	139.7 Å²	139.7	84%	0.84	80%	0.8	S	S	*	*			trans	94.2	149.6	130.2	-151	30.1	0	0	0	121.8
492	V	38.9	Very low	38	Very low	118 Å²	118	140 Å²	140	72%	0.715	80%	0.797	S	S	*	*			trans	-99.6	129.7	-160.2	172.9	0	0	0	0	111
493	T	37.7	Very low	39	Very low	142 Å²	142	138.5 Å²	138.5	87%	0.871	80%	0.797	S	S	*	*			trans	-153.8	145.1	150.7	-0.3	0	0	0	0	114.7	G495	T493-G495 PolarHBondContact O-N 3.31Å
494	K	30.7	Very low	40.3	Very low	207 Å²	207	138 Å²	138	90%	0.9	78%	0.783	S	S	*	*			trans	-70.4	120	-175.5	-70.5	162.7	173.5	163.4	0	112.6
495	G	32.4	Very low	41.9	Very low	80 Å²	80	135.8 Å²	135.8	83%	0.825	76%	0.76	S	S	*	*			trans	-98.3	132.2	156.2	0	0	0	0	0	110.8	T493	T493-G495 PolarHBondContact O-N 3.31Å
496	K	32.3	Very low	43.2	Very low	208 Å²	208	134.3 Å²	134.3	90%	0.904	74%	0.74	S	S	*	*			trans	-128.4	113.7	-172	-170.4	-175.7	-175.2	-173.3	0	109.6
497	S	38.1	Very low	44.3	Very low	115 Å²	115	128.9 Å²	128.9	80%	0.804	71%	0.706	S	S	*	*			trans	-135.5	145.1	175.3	51.1	0	0	0	0	111.7
498	N	40	Very low	45.7	Very low	147 Å²	147	122 Å²	122	79%	0.786	68%	0.678	S	S	*	*			trans	-66.7	138.5	-170.9	-54.1	-42.6	0	0	0	110.8
499	Q	44	Very low	46.8	Very low	170 Å²	170	118.1 Å²	118.1	79%	0.794	65%	0.65	S	S	*	*				59.3	78.3	68.1	-76.8	-161.9	5.3	0	0	114.5
500	D	43.9	Very low	47.8	Very low	157 Å²	157	110.8 Å²	110.8	84%	0.84	62%	0.623	S	S	*	*			trans	-106.4	125.3	151.1	-78.6	-52.4	0	0	0	108.7	E502	D500-E502 PolarHBondContact O-N 3.29Å
501	A	43.8	Very low	49	Very low	101 Å²	101	110.6 Å²	110.6	84%	0.835	62%	0.622	S	S	*	*			trans	-92.6	76.1	-168.7	0	0	0	0	0	112.4	S503	A501-S503 PolarHBondContact O-N 3.13Å
502	E	52.8	Low	50.3	Low	152 Å²	152	107.5 Å²	107.5	71%	0.71	61%	0.606	S	S	*	*			trans	-60.8	117.3	170.4	-62.4	-169.9	158.3	0	0	110.4	D500 E504	D500-E502 PolarHBondContact O-N 3.29Å; E502-E504 PolarHBondContact O-N 2.85Å
503	S	61.5	Low	51.7	Low	52 Å²	52	104.1 Å²	104.1	36%	0.364	60%	0.595	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-79.6	114.7	174.6	-71.3	0	0	0	0	109.7	A501 L526	A501-S503 PolarHBondContact O-N 3.13Å; S503-L526 WeakPolarHBondContact O-CD2 3.15Å
504	E	64	Low	53.2	Low	92 Å²	92	103.3 Å²	103.3	43%	0.43	58%	0.581	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.8	133.5	179.8	-177.6	-179.6	146.2	0	0	110.5	E502 K517	E502-E504 PolarHBondContact O-N 2.85Å; E504-K517 HydrophobicContact CG-CD 4.34Å; E504-K517 HydrophobicContact CG-CG 4.16Å; E504-K517 WeakPolarHBondContact OE1-CD 3.39Å; E504-K517 WeakPolarHBondContact OE1-CE 3.47Å; E504-K517 IonicContact OE1-NZ 3.01Å; E504-K517 PolarHBondContact OE1-NZ 3.21Å; E504-K517 VanDerWaalsContact OE2-CE 3.25Å; E504-K517 WeakPolarHBondContact OE2-CE 3.22Å; E504-K517 IonicContact OE2-NZ 3.33Å; E504-K517 PolarHBondContact OE2-NZ 3.42Å
505	V	68.1	Low	55.2	Low	47 Å²	47	98.8 Å²	98.8	29%	0.285	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-132.5	125.1	171.3	176.6	0	0	0	0	110.1	I507 L518 L526	V505-I507 HydrophobicContact CG1-CG1 4.29Å; V505-L518 PolarHBondContact N-O 3.48Å; V505-L518 WeakPolarHBondContact O-CB 3.4Å; V505-L518 PolarHBondContact O-N 3.35Å; V505-L526 HydrophobicContact CB-CD1 4.37Å; V505-L526 HydrophobicContact CB-CD2 4.32Å; V505-L526 HydrophobicContact CB-CG 4.35Å; V505-L526 HydrophobicContact CG2-CD2 3.73Å; V505-L526 HydrophobicContact CG2-CG 4.03Å
506	E	61.9	Low	57.1	Low	91 Å²	91	98.6 Å²	98.6	43%	0.425	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	126.9	172.8	-60.2	179.3	140.3	0	0	110	K517	E506-K517 HydrophobicContact CG-CB 4.42Å
507	I	65.3	Low	59.5	Low	15 Å²	15	93.9 Å²	93.9	8%	0.077	52%	0.524	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	124.2	174.1	-56.8	-175.6	0	0	0	108.5	V505 M515 L516 L518 C530 L533	V505-I507 HydrophobicContact CG1-CG1 4.29Å; I507-M515 CarbonylContact O-C 3.56Å; I507-M515 WeakPolarHBondContact O-CA 3.42Å; I507-L516 PolarHBondContact N-O 2.88Å; I507-L516 PolarHBondContact O-N 3.36Å; I507-L518 HydrophobicContact CD1-CD1 3.53Å; I507-L518 HydrophobicContact CG1-CD1 4.1Å; I507-C530 HydrophobicContact CD1-CB 4.14Å; I507-L533 HydrophobicContact CD1-CB 4.11Å; I507-L533 HydrophobicContact CD1-CD1 3.95Å
508	V	60.6	Low	61.5	Low	54 Å²	54	90.3 Å²	90.3	33%	0.327	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	127.7	174	-169.9	0	0	0	0	109.3	E514 M515 W560	V508-E514 CarbonylContact C-O 3.59Å; V508-M515 HydrophobicContact CG2-CG 4.11Å; V508-M515 HydrophobicContact CG2-SD 4.15Å; V508-W560 HydrophobicContact CB-CZ3 4.19Å; V508-W560 WeakPolarHBondContact O-CZ3 3.29Å
509	T	59.7	Low	63.6	Low	29 Å²	29	87.7 Å²	87.7	18%	0.178	48%	0.481	C	S	.	.			trans	-120.2	87.3	-173.8	-66.8	0	0	0	0	109.4	N512 E514 L516 F537	T509-N512 PolarHBondContact O-OD1 2.91Å; T509-E514 PolarHBondContact N-O 2.77Å; T509-L516 HydrophobicContact CG2-CD1 4.25Å; T509-L516 WeakPolarHBondContact OG1-CD1 3.23Å; T509-L516 WeakPolarHBondContact OG1-CG 3.09Å; T509-F537 HydrophobicContact CG2-CD1 4.33Å; T509-F537 HydrophobicContact CG2-CE1 3.47Å; T509-F537 VanDerWaalsContact CG2-CE1 3.47Å; T509-F537 HydrophobicContact CG2-CE2 4.09Å; T509-F537 HydrophobicContact CG2-CZ 3.33Å; T509-F537 WeakPolarHBondContact OG1-CE2 3.37Å
510	G	58.3	Low	65.2	Low	31 Å²	31	80.4 Å²	80.4	32%	0.32	45%	0.448	S	S	.	.	S	Bend	trans	116.9	178.4	178.8	0	0	0	0	0	113.8
511	D	61.6	Low	66.9	Low	157 Å²	157	79.4 Å²	79.4	84%	0.84	45%	0.451	S	S	*	.	S	Bend	trans	-85.1	-25	169.7	54.4	-9.9	0	0	0	112.4	G513	D511-G513 PolarHBondContact O-N 3.49Å; D511-G513 VanDerWaalsContact O-N 3.14Å
512	N	61.3	Low	68.8	Low	92 Å²	92	78.3 Å²	78.3	49%	0.492	43%	0.431	S	S	.	.	S	Bend	trans	-63.1	-6.9	173.6	64.6	3.4	0	0	0	115.5	T509 E514	T509-N512 PolarHBondContact O-OD1 2.91Å; N512-E514 VanDerWaalsContact C-N 3.31Å; N512-E514 WeakPolarHBondContact ND2-CG 3.43Å; N512-E514 PolarHBondContact ND2-OE2 2.87Å; N512-E514 PolarHBondContact O-N 3.01Å; N512-E514 WeakPolarHBondContact OD1-CB 3.36Å; N512-E514 PolarHBondContact OD1-N 2.68Å; N512-E514 VanDerWaalsContact OD1-N 3.07Å
513	G	68	Low	70.2	Confident	48 Å²	48	74.6 Å²	74.6	50%	0.495	42%	0.42	S	S	.	.			trans	75.3	13.3	179.7	0	0	0	0	0	115.1	D511	D511-G513 PolarHBondContact O-N 3.49Å; D511-G513 VanDerWaalsContact O-N 3.14Å
514	E	69.6	Low	71.2	Confident	124 Å²	124	78.1 Å²	78.1	58%	0.579	43%	0.431	S	S	*	.			trans	-64.6	137.7	172.7	-70.7	178.2	158	0	0	110.3	V508 T509 N512	V508-E514 CarbonylContact C-O 3.59Å; T509-E514 PolarHBondContact N-O 2.77Å; N512-E514 VanDerWaalsContact C-N 3.31Å; N512-E514 WeakPolarHBondContact ND2-CG 3.43Å; N512-E514 PolarHBondContact ND2-OE2 2.87Å; N512-E514 PolarHBondContact O-N 3.01Å; N512-E514 WeakPolarHBondContact OD1-CB 3.36Å; N512-E514 PolarHBondContact OD1-N 2.68Å; N512-E514 VanDerWaalsContact OD1-N 3.07Å
515	M	72.2	Confident	72.3	Confident	112 Å²	112	78.7 Å²	78.7	55%	0.552	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.2	121	-177.3	-59.9	-163	-66.5	0	0	111	I507 V508 K517	I507-M515 CarbonylContact O-C 3.56Å; I507-M515 WeakPolarHBondContact O-CA 3.42Å; V508-M515 HydrophobicContact CG2-CG 4.11Å; V508-M515 HydrophobicContact CG2-SD 4.15Å; M515-K517 PolarHBondContact O-N 2.86Å
516	L	73	Confident	73.2	Confident	77 Å²	77	76.9 Å²	76.9	40%	0.403	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	105.7	168.3	-68.4	-179.7	0	0	0	109.4	I507 T509 F537	I507-L516 PolarHBondContact N-O 2.88Å; I507-L516 PolarHBondContact O-N 3.36Å; T509-L516 HydrophobicContact CG2-CD1 4.25Å; T509-L516 WeakPolarHBondContact OG1-CD1 3.23Å; T509-L516 WeakPolarHBondContact OG1-CG 3.09Å; L516-F537 HydrophobicContact CD1-CE2 4.26Å; L516-F537 HydrophobicContact CD1-CZ 4.06Å
517	K	81.3	Confident	74.2	Confident	109 Å²	109	77.4 Å²	77.4	47%	0.474	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	112.4	170.6	173.8	165.9	165.4	146.6	0	109.8	E504 E506 M515 I519	E504-K517 HydrophobicContact CG-CD 4.34Å; E504-K517 HydrophobicContact CG-CG 4.16Å; E504-K517 WeakPolarHBondContact OE1-CD 3.39Å; E504-K517 WeakPolarHBondContact OE1-CE 3.47Å; E504-K517 IonicContact OE1-NZ 3.01Å; E504-K517 PolarHBondContact OE1-NZ 3.21Å; E504-K517 VanDerWaalsContact OE2-CE 3.25Å; E504-K517 WeakPolarHBondContact OE2-CE 3.22Å; E504-K517 IonicContact OE2-NZ 3.33Å; E504-K517 PolarHBondContact OE2-NZ 3.42Å; E506-K517 HydrophobicContact CG-CB 4.42Å; M515-K517 PolarHBondContact O-N 2.86Å; K517-I519 HydrophobicContact CG-CG1 4.25Å
518	L	81.4	Confident	75.2	Confident	39 Å²	39	80.8 Å²	80.8	20%	0.204	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	125	175.5	-60	170.3	0	0	0	109.4	V505 I507 L526 L533	V505-L518 PolarHBondContact N-O 3.48Å; V505-L518 WeakPolarHBondContact O-CB 3.4Å; V505-L518 PolarHBondContact O-N 3.35Å; I507-L518 HydrophobicContact CD1-CD1 3.53Å; I507-L518 HydrophobicContact CG1-CD1 4.1Å; L518-L526 HydrophobicContact CB-CD1 3.46Å; L518-L526 VanDerWaalsContact CB-CD1 3.46Å; L518-L526 HydrophobicContact CD1-CD1 4.45Å; L518-L533 HydrophobicContact CD1-CD1 3.83Å; L518-L533 HydrophobicContact CD2-CD1 4.22Å
519	I	82.9	Confident	76.4	Confident	93 Å²	93	79.8 Å²	79.8	48%	0.477	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	129.8	172	-51.7	174.1	0	0	0	106.6	K517	K517-I519 HydrophobicContact CG-CG1 4.25Å
520	S	78.2	Confident	77.6	Confident	16 Å²	16	79.3 Å²	79.3	11%	0.112	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	137.3	171.5	-167.9	0	0	0	0	110.5	N522	S520-N522 PolarHBondContact O-N 2.82Å; S520-N522 PolarHBondContact OG-N 3.26Å; S520-N522 PolarHBondContact OG-O 2.9Å
521	P	80.3	Confident	79	Confident	137 Å²	137	84.1 Å²	84.1	89%	0.89	46%	0.456	S	S	*	.	S	Bend	trans	-61	-20.9	168.2	-22.1	33.5	0	0	0	113.1
522	N	82.7	Confident	80.2	Confident	78 Å²	78	79.5 Å²	79.5	42%	0.417	44%	0.439	S	S	.	.			trans	-109.2	111.2	-179.2	-175.9	-18	0	0	0	111.1	S520 Q524 L525 L526	S520-N522 PolarHBondContact O-N 2.82Å; S520-N522 PolarHBondContact OG-N 3.26Å; S520-N522 PolarHBondContact OG-O 2.9Å; N522-Q524 VanDerWaalsContact C-N 3.29Å; N522-Q524 PolarHBondContact O-N 3.05Å; N522-Q524 WeakPolarHBondContact OD1-CB 3.47Å; N522-Q524 PolarHBondContact OD1-N 3.34Å; N522-L525 HydrophobicContact CB-CB 4Å; N522-L525 PolarHBondContact O-N 3.15Å; N522-L525 PolarHBondContact OD1-N 3.35Å; N522-L526 PolarHBondContact O-N 3.28Å
523	P	83.2	Confident	81.3	Confident	73 Å²	73	77.1 Å²	77.1	47%	0.474	43%	0.426	S	S	.	.	H	α-helix	trans	-66.8	-26.3	-177.9	27	-34.7	0	0	0	113.7	Q527	P523-Q527 WeakPolarHBondContact O-CB 3.4Å; P523-Q527 PolarHBondContact O-N 3.16Å
524	Q	82.7	Confident	81.9	Confident	127 Å²	127	78.3 Å²	78.3	59%	0.593	42%	0.421	S	S	*	.	H	α-helix	trans	-69.5	-41.3	175.1	-65	-69.2	-15	0	0	111.1	N522 Q527 T528	N522-Q524 VanDerWaalsContact C-N 3.29Å; N522-Q524 PolarHBondContact O-N 3.05Å; N522-Q524 WeakPolarHBondContact OD1-CB 3.47Å; N522-Q524 PolarHBondContact OD1-N 3.34Å; Q524-Q527 PolarHBondContact O-N 3.3Å; Q524-T528 WeakPolarHBondContact O-CB 3.37Å; Q524-T528 PolarHBondContact O-N 3.46Å; Q524-T528 PolarHBondContact O-OG1 3.04Å
525	L	85.5	Confident	82.5	Confident	103 Å²	103	80 Å²	80	54%	0.539	43%	0.427	S	S	.	.	H	α-helix	trans	-67.4	-40.3	176.4	-169.4	142.2	0	0	0	110.7	N522 T528 A529	N522-L525 HydrophobicContact CB-CB 4Å; N522-L525 PolarHBondContact O-N 3.15Å; N522-L525 PolarHBondContact OD1-N 3.35Å; L525-T528 PolarHBondContact O-N 3.32Å; L525-A529 WeakPolarHBondContact O-CB 3.45Å; L525-A529 PolarHBondContact O-N 3.42Å
526	L	87.3	Confident	82.9	Confident	9 Å²	9	80.5 Å²	80.5	5%	0.047	42%	0.423	C	S	.	.	H	α-helix	trans	-58.3	-51.8	172.9	-169.8	61.2	0	0	0	111.7	S503 V505 L518 N522 T528 A529 C530	S503-L526 WeakPolarHBondContact O-CD2 3.15Å; V505-L526 HydrophobicContact CB-CD1 4.37Å; V505-L526 HydrophobicContact CB-CD2 4.32Å; V505-L526 HydrophobicContact CB-CG 4.35Å; V505-L526 HydrophobicContact CG2-CD2 3.73Å; V505-L526 HydrophobicContact CG2-CG 4.03Å; L518-L526 HydrophobicContact CB-CD1 3.46Å; L518-L526 VanDerWaalsContact CB-CD1 3.46Å; L518-L526 HydrophobicContact CD1-CD1 4.45Å; N522-L526 PolarHBondContact O-N 3.28Å; L526-T528 VanDerWaalsContact C-N 3.27Å; L526-T528 PolarHBondContact O-N 3.32Å; L526-A529 PolarHBondContact O-N 2.91Å; L526-C530 PolarHBondContact O-N 3.38Å; L526-C530 PolarHBondContact O-SG 3.02Å
527	Q	83.9	Confident	83.1	Confident	103 Å²	103	79 Å²	79	48%	0.481	41%	0.414	S	S	.	.	H	α-helix	trans	-61.5	-35.7	178.4	-170.4	-179.5	15	0	0	112.5	P523 Q524 K531	P523-Q527 WeakPolarHBondContact O-CB 3.4Å; P523-Q527 PolarHBondContact O-N 3.16Å; Q524-Q527 PolarHBondContact O-N 3.3Å; Q527-K531 WeakPolarHBondContact O-CG 3.48Å; Q527-K531 PolarHBondContact O-N 3.29Å; Q527-K531 VanDerWaalsContact O-N 3.07Å
528	T	86.4	Confident	83	Confident	85 Å²	85	80.3 Å²	80.3	52%	0.521	42%	0.419	S	S	.	.	H	α-helix	trans	-69.6	-43.7	177.4	-56.8	0	0	0	0	111.2	Q524 L525 L526 C530 K531 A532	Q524-T528 WeakPolarHBondContact O-CB 3.37Å; Q524-T528 PolarHBondContact O-N 3.46Å; Q524-T528 PolarHBondContact O-OG1 3.04Å; L525-T528 PolarHBondContact O-N 3.32Å; L526-T528 VanDerWaalsContact C-N 3.27Å; L526-T528 PolarHBondContact O-N 3.32Å; T528-C530 PolarHBondContact O-N 3.21Å; T528-K531 PolarHBondContact O-N 2.75Å; T528-A532 WeakPolarHBondContact O-CB 3.46Å; T528-A532 PolarHBondContact O-N 3.36Å
529	A	85.7	Confident	82.7	Confident	33 Å²	33	80.9 Å²	80.9	27%	0.273	43%	0.427	S	S	.	.	H	α-helix	trans	-61.1	-41.7	173.3	0	0	0	0	0	111.9	L525 L526 A532 L533	L525-A529 WeakPolarHBondContact O-CB 3.45Å; L525-A529 PolarHBondContact O-N 3.42Å; L526-A529 PolarHBondContact O-N 2.91Å; A529-A532 PolarHBondContact O-N 3.03Å; A529-L533 WeakPolarHBondContact O-CB 3.49Å; A529-L533 WeakPolarHBondContact O-CG 3.35Å; A529-L533 PolarHBondContact O-N 3.24Å
530	C	85.3	Confident	82	Confident	19 Å²	19	80.1 Å²	80.1	13%	0.128	42%	0.421	C	S	.	.	H	α-helix	trans	-59.1	-48.3	173.7	-62.2	0	0	0	0	112	I507 L526 T528 A532 L533 D534	I507-C530 HydrophobicContact CD1-CB 4.14Å; L526-C530 PolarHBondContact O-N 3.38Å; L526-C530 PolarHBondContact O-SG 3.02Å; T528-C530 PolarHBondContact O-N 3.21Å; C530-A532 VanDerWaalsContact C-N 3.33Å; C530-A532 PolarHBondContact O-N 3.35Å; C530-L533 PolarHBondContact O-N 2.86Å; C530-D534 WeakPolarHBondContact O-CB 3.34Å; C530-D534 PolarHBondContact O-N 3.01Å
531	K	86.5	Confident	81.1	Confident	133 Å²	133	85.4 Å²	85.4	58%	0.578	44%	0.439	S	S	*	.	H	α-helix	trans	-60.9	-40.1	177.2	-73.3	173.7	179.7	177.1	0	112.5	Q527 T528 F535	Q527-K531 WeakPolarHBondContact O-CG 3.48Å; Q527-K531 PolarHBondContact O-N 3.29Å; Q527-K531 VanDerWaalsContact O-N 3.07Å; T528-K531 PolarHBondContact O-N 2.75Å; K531-F535 PolarHBondContact O-N 2.79Å; K531-F535 VanDerWaalsContact O-N 3.09Å
532	A	86.3	Confident	80	Confident	59 Å²	59	84.7 Å²	84.7	49%	0.488	43%	0.428	S	S	.	.	H	α-helix	trans	-67.4	-42.4	178.7	0	0	0	0	0	112.1	T528 A529 C530 F535 Y536	T528-A532 WeakPolarHBondContact O-CB 3.46Å; T528-A532 PolarHBondContact O-N 3.36Å; A529-A532 PolarHBondContact O-N 3.03Å; C530-A532 VanDerWaalsContact C-N 3.33Å; C530-A532 PolarHBondContact O-N 3.35Å; A532-F535 PolarHBondContact O-N 2.95Å; A532-Y536 PolarHBondContact O-N 3.31Å
533	L	85.3	Confident	78.7	Confident	42 Å²	42	84.9 Å²	84.9	22%	0.22	43%	0.432	C	S	.	.	H	α-helix	trans	-68.9	-39.8	176.1	-72.1	167.2	0	0	0	112.1	I507 L518 A529 C530 F535 Y536 F537	I507-L533 HydrophobicContact CD1-CB 4.11Å; I507-L533 HydrophobicContact CD1-CD1 3.95Å; L518-L533 HydrophobicContact CD1-CD1 3.83Å; L518-L533 HydrophobicContact CD2-CD1 4.22Å; A529-L533 WeakPolarHBondContact O-CB 3.49Å; A529-L533 WeakPolarHBondContact O-CG 3.35Å; A529-L533 PolarHBondContact O-N 3.24Å; C530-L533 PolarHBondContact O-N 2.86Å; L533-F535 VanDerWaalsContact C-N 3.27Å; L533-F535 PolarHBondContact O-N 2.94Å; L533-Y536 PolarHBondContact O-N 3.4Å; L533-F537 HydrophobicContact CB-CD2 4.27Å; L533-F537 HydrophobicContact CB-CE2 4.04Å; L533-F537 HydrophobicContact CD2-CE2 3.96Å; L533-F537 HydrophobicContact CD2-CZ 4.3Å; L533-F537 WeakPolarHBondContact O-CD2 3.36Å; L533-F537 PolarHBondContact O-N 3.05Å
534	D	81	Confident	77.1	Confident	74 Å²	74	87.5 Å²	87.5	40%	0.396	44%	0.442	S	S	.	.	H	α-helix	trans	-56.6	-41.6	171.5	-84.9	-12	0	0	0	111.6	C530 K538	C530-D534 WeakPolarHBondContact O-CB 3.34Å; C530-D534 PolarHBondContact O-N 3.01Å; D534-K538 WeakPolarHBondContact O-CB 3.43Å; D534-K538 WeakPolarHBondContact O-CD 3.28Å; D534-K538 WeakPolarHBondContact O-CG 3.24Å; D534-K538 PolarHBondContact O-N 3.45Å; D534-K538 VanDerWaalsContact O-N 3.17Å
535	F	80.8	Confident	75.3	Confident	158 Å²	158	89.1 Å²	89.1	69%	0.693	45%	0.449	S	S	*	.	H	α-helix	trans	-67.5	-45.4	176.1	-173.2	-94.8	0	0	0	111.6	K531 A532 L533 K538 S539	K531-F535 PolarHBondContact O-N 2.79Å; K531-F535 VanDerWaalsContact O-N 3.09Å; A532-F535 PolarHBondContact O-N 2.95Å; L533-F535 VanDerWaalsContact C-N 3.27Å; L533-F535 PolarHBondContact O-N 2.94Å; F535-K538 PolarHBondContact O-N 3.38Å; F535-S539 WeakPolarHBondContact O-CB 3.4Å; F535-S539 PolarHBondContact O-N 3.37Å
536	Y	80.5	Confident	73.2	Confident	123 Å²	123	88.9 Å²	88.9	48%	0.482	46%	0.462	S	S	.	.	H	α-helix	trans	-60.6	-48.2	178.7	-179.5	-101.8	0	0	0	112.6	A532 L533 K538 S539 Q540	A532-Y536 PolarHBondContact O-N 3.31Å; L533-Y536 PolarHBondContact O-N 3.4Å; Y536-K538 PolarHBondContact O-N 2.72Å; Y536-S539 PolarHBondContact O-N 3.23Å; Y536-Q540 HydrophobicContact CD1-CG 4.26Å; Y536-Q540 HydrophobicContact CE1-CG 3.88Å; Y536-Q540 HydrophobicContact CE2-CG 4.17Å; Y536-Q540 WeakPolarHBondContact O-CB 3.28Å; Y536-Q540 WeakPolarHBondContact O-CG 3.47Å; Y536-Q540 PolarHBondContact O-N 2.72Å; Y536-Q540 PolarHBondContact OH-NE2 2.79Å
537	F	78	Confident	70.7	Confident	45 Å²	45	91.9 Å²	91.9	20%	0.197	50%	0.495	C	S	.	.	H	α-helix	trans	-73.3	-24.3	-179.5	-65.4	-54.4	0	0	0	113.8	T509 L516 L533	T509-F537 HydrophobicContact CG2-CD1 4.33Å; T509-F537 HydrophobicContact CG2-CE1 3.47Å; T509-F537 VanDerWaalsContact CG2-CE1 3.47Å; T509-F537 HydrophobicContact CG2-CE2 4.09Å; T509-F537 HydrophobicContact CG2-CZ 3.33Å; T509-F537 WeakPolarHBondContact OG1-CE2 3.37Å; L516-F537 HydrophobicContact CD1-CE2 4.26Å; L516-F537 HydrophobicContact CD1-CZ 4.06Å; L533-F537 HydrophobicContact CB-CD2 4.27Å; L533-F537 HydrophobicContact CB-CE2 4.04Å; L533-F537 HydrophobicContact CD2-CE2 3.96Å; L533-F537 HydrophobicContact CD2-CZ 4.3Å; L533-F537 WeakPolarHBondContact O-CD2 3.36Å; L533-F537 PolarHBondContact O-N 3.05Å
538	K	78.2	Confident	68.4	Low	137 Å²	137	93 Å²	93	60%	0.596	51%	0.513	S	S	*	.	H	α-helix	trans	-70.5	-44.4	166.7	-74.1	169.6	-173.2	171.7	0	111.2	D534 F535 Y536 R541 N542	D534-K538 WeakPolarHBondContact O-CB 3.43Å; D534-K538 WeakPolarHBondContact O-CD 3.28Å; D534-K538 WeakPolarHBondContact O-CG 3.24Å; D534-K538 PolarHBondContact O-N 3.45Å; D534-K538 VanDerWaalsContact O-N 3.17Å; F535-K538 PolarHBondContact O-N 3.38Å; Y536-K538 PolarHBondContact O-N 2.72Å; K538-R541 PolarHBondContact O-N 2.94Å; K538-N542 PolarHBondContact O-N 3.36Å
539	S	76.8	Confident	66.1	Low	52 Å²	52	94.9 Å²	94.9	36%	0.364	52%	0.524	S	S	.	.	H	α-helix	trans	-61.8	-47.7	178.3	-166.8	0	0	0	0	112.1	F535 Y536 R541 N542 T543	F535-S539 WeakPolarHBondContact O-CB 3.4Å; F535-S539 PolarHBondContact O-N 3.37Å; Y536-S539 PolarHBondContact O-N 3.23Å; S539-R541 VanDerWaalsContact C-N 3.28Å; S539-R541 PolarHBondContact O-N 2.99Å; S539-N542 PolarHBondContact O-N 2.75Å; S539-T543 PolarHBondContact O-N 3.13Å; S539-T543 PolarHBondContact O-OG1 3.46Å
540	Q	67.8	Low	63.4	Low	77 Å²	77	98.2 Å²	98.2	36%	0.36	55%	0.552	S	S	.	*	H	α-helix	trans	-58.3	-33.3	178.3	-79.8	-76	3	0	0	114	Y536 T543 N544	Y536-Q540 HydrophobicContact CD1-CG 4.26Å; Y536-Q540 HydrophobicContact CE1-CG 3.88Å; Y536-Q540 HydrophobicContact CE2-CG 4.17Å; Y536-Q540 WeakPolarHBondContact O-CB 3.28Å; Y536-Q540 WeakPolarHBondContact O-CG 3.47Å; Y536-Q540 PolarHBondContact O-N 2.72Å; Y536-Q540 PolarHBondContact OH-NE2 2.79Å; Q540-T543 WeakPolarHBondContact CA-OG1 3.47Å; Q540-T543 PolarHBondContact O-OG1 3.19Å; Q540-N544 PolarHBondContact O-ND2 3.3Å
541	R	59	Low	61.3	Low	126 Å²	126	102.9 Å²	102.9	48%	0.475	58%	0.58	S	S	.	*	H	α-helix	trans	-71.5	-39.4	173	-78.9	-169.5	172.2	114	-4.6	112.1	K538 S539	K538-R541 PolarHBondContact O-N 2.94Å; S539-R541 VanDerWaalsContact C-N 3.28Å; S539-R541 PolarHBondContact O-N 2.99Å
542	N	56.4	Low	59	Low	123 Å²	123	103.9 Å²	103.9	66%	0.658	59%	0.591	S	S	*	*	H	α-helix	trans	-72.2	-27	-179.5	-65.8	-7.7	0	0	0	113	K538 S539	K538-N542 PolarHBondContact O-N 3.36Å; S539-N542 PolarHBondContact O-N 2.75Å
543	T	55.9	Low	56.6	Low	82 Å²	82	105.8 Å²	105.8	50%	0.503	61%	0.607	S	S	.	*	H	α-helix	trans	-78.7	-18.2	-179.9	47.6	0	0	0	0	114.7	S539 Q540	S539-T543 PolarHBondContact O-N 3.13Å; S539-T543 PolarHBondContact O-OG1 3.46Å; Q540-T543 WeakPolarHBondContact CA-OG1 3.47Å; Q540-T543 PolarHBondContact O-OG1 3.19Å
544	N	49.2	Very low	54.2	Low	127 Å²	127	111.9 Å²	111.9	68%	0.679	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	-6	-179.3	-69.6	-25	0	0	0	113.9	Q540	Q540-N544 PolarHBondContact O-ND2 3.3Å
545	E	46.6	Very low	51.8	Low	161 Å²	161	111 Å²	111	75%	0.752	65%	0.649	S	S	*	*			trans	-116.4	23.5	-176.7	-70.4	-83.2	141.9	0	0	112	G547	E545-G547 PolarHBondContact O-N 2.89Å
546	A	39.4	Very low	49.7	Very low	99 Å²	99	112.6 Å²	112.6	82%	0.818	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	59.3	177.7	0	0	0	0	0	112.1
547	G	35.8	Very low	47.2	Very low	71 Å²	71	113.4 Å²	113.4	73%	0.732	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-169.4	18.5	-166.5	0	0	0	0	0	117.4	E545	E545-G547 PolarHBondContact O-N 2.89Å
548	C	35.6	Very low	45.2	Very low	126 Å²	126	116.1 Å²	116.1	85%	0.851	70%	0.696	S	S	*	*	S	Bend	trans	-158.6	163	159.5	-123.4	0	0	0	0	114.3
549	T	37.1	Very low	43.1	Very low	125 Å²	125	117.4 Å²	117.4	77%	0.767	70%	0.701	S	S	*	*			trans	-77.5	143.9	-167.1	46.9	0	0	0	0	114.4	V551	T549-V551 PolarHBondContact O-N 3.31Å
550	A	30.7	Very low	41.2	Very low	104 Å²	104	122.3 Å²	122.3	86%	0.86	71%	0.712	S	S	*	*			trans	-72.3	116	174.7	0	0	0	0	0	112.5
551	V	41.4	Very low	39.8	Very low	117 Å²	117	126.7 Å²	126.7	71%	0.709	73%	0.73	S	S	*	*			trans	-148.8	137.4	150.4	-122.9	0	0	0	0	110.4	T549	T549-V551 PolarHBondContact O-N 3.31Å
552	D	37.3	Very low	38.8	Very low	153 Å²	153	127.3 Å²	127.3	82%	0.818	74%	0.741	S	S	*	*			trans	65.5	130	156.5	-55.1	-35	0	0	0	122.2
553	A	35.4	Very low	37.6	Very low	99 Å²	99	127.5 Å²	127.5	82%	0.818	74%	0.742	S	S	*	*			trans	-71.8	144	170.5	0	0	0	0	0	111.9
554	D	34.6	Very low	36.5	Very low	171 Å²	171	133.4 Å²	133.4	91%	0.914	76%	0.755	S	S	*	*				-154.9	163.6	110.1	-140	-30.9	0	0	0	111.2
555	G	30.4	Very low	35.8	Very low	56 Å²	56	138.5 Å²	138.5	58%	0.577	77%	0.765	S	S	*	*			trans	-86.9	147.8	-166	0	0	0	0	0	115.8
556	Q	37.2	Very low	35.2	Very low	190 Å²	190	138.8 Å²	138.8	89%	0.888	76%	0.763	S	S	*	*			trans	-154.7	83.4	143.1	-116.6	173.6	75.1	0	0	114.5	S558	Q556-S558 PolarHBondContact O-N 3.26Å
557	N	28.9	Very low	34.7	Very low	141 Å²	141	139.2 Å²	139.2	75%	0.754	76%	0.761	S	S	*	*			trans	30.6	77.8	131.8	-166.6	17.7	0	0	0	119.1
558	S	34.6	Very low	34.5	Very low	102 Å²	102	144.2 Å²	144.2	71%	0.713	77%	0.769	S	S	*	*			trans	-96.6	91.9	155.9	-78.2	0	0	0	0	110.4	Q556 W560	Q556-S558 PolarHBondContact O-N 3.26Å; S558-W560 VanDerWaalsContact O-CD1 3.31Å; S558-W560 PolarHBondContact O-N 2.9Å; S558-W560 VanDerWaalsContact O-N 3.15Å
559	K	34.1	Very low	34.3	Very low	163 Å²	163	142.2 Å²	142.2	71%	0.709	76%	0.757	S	S	*	*			trans	-74.7	96.5	-171.9	-175.1	172.4	-177.8	169.1	0	112.8	K561	K559-K561 PolarHBondContact O-N 3.06Å
560	W	38.2	Very low	34.1	Very low	156 Å²	156	141.7 Å²	141.7	59%	0.591	76%	0.759	S	S	*	*			trans	-58.2	106.5	170.1	-58.8	89.5	0	0	0	111.2	V508 S558 I562	V508-W560 HydrophobicContact CB-CZ3 4.19Å; V508-W560 WeakPolarHBondContact O-CZ3 3.29Å; S558-W560 VanDerWaalsContact O-CD1 3.31Å; S558-W560 PolarHBondContact O-N 2.9Å; S558-W560 VanDerWaalsContact O-N 3.15Å; W560-I562 PolarHBondContact O-N 3.28Å
561	K	37.5	Very low	34.1	Very low	169 Å²	169	145 Å²	145	74%	0.735	76%	0.76	S	S	*	*			trans	-88.7	95.2	177.2	-72.3	-176.1	-177.9	174	0	110.6	K559 N563	K559-K561 PolarHBondContact O-N 3.06Å; K561-N563 PolarHBondContact O-N 3.34Å
562	I	37.8	Very low	33.8	Very low	139 Å²	139	145.8 Å²	145.8	71%	0.713	76%	0.761	S	S	*	*			trans	-67.7	96.9	164.6	-60.1	173.8	0	0	0	108.1	W560 R564	W560-I562 PolarHBondContact O-N 3.28Å; I562-R564 VanDerWaalsContact C-N 3.32Å; I562-R564 HydrophobicContact CG2-CG 4.25Å; I562-R564 PolarHBondContact O-N 3.43Å
563	N	31.3	Very low	33.7	Very low	126 Å²	126	144.5 Å²	144.5	67%	0.674	75%	0.754	S	S	*	*			trans	-87.7	67.7	-172.4	-147.6	22.6	0	0	0	111.2	K561 R565	K561-N563 PolarHBondContact O-N 3.34Å; N563-R565 PolarHBondContact O-N 3.41Å
564	R	33.8	Very low	33.6	Very low	207 Å²	207	144.8 Å²	144.8	78%	0.781	75%	0.75	S	S	*	*			trans	-62	98.2	170.8	-73.8	-170	-168.2	174.2	6.3	109.6	I562 K566	I562-R564 VanDerWaalsContact C-N 3.32Å; I562-R564 HydrophobicContact CG2-CG 4.25Å; I562-R564 PolarHBondContact O-N 3.43Å; R564-K566 PolarHBondContact O-N 3.15Å
565	R	33.3	Very low	33.6	Very low	234 Å²	234	141.4 Å²	141.4	88%	0.883	74%	0.74	S	S	*	*			trans	-67.5	87.5	157.4	-83.6	-169.8	178.7	-178.8	2.5	108.5	N563 S567	N563-R565 PolarHBondContact O-N 3.41Å; R565-S567 PolarHBondContact O-N 3.47Å
566	K	34.2	Very low	33.8	Very low	166 Å²	166	146 Å²	146	72%	0.722	75%	0.751	S	S	*	*			trans	-61.7	112.4	160	-65.3	-179.3	178.4	-176.9	0	107.1	R564 L568	R564-K566 PolarHBondContact O-N 3.15Å; K566-L568 PolarHBondContact O-N 3.1Å
567	S	30.6	Very low	33.4	Very low	109 Å²	109	141 Å²	141	76%	0.762	74%	0.742	S	S	*	*			trans	-57.7	123	163.2	-72.8	0	0	0	0	108.3	R565 S569	R565-S567 PolarHBondContact O-N 3.47Å; S567-S569 PolarHBondContact O-N 2.93Å
568	L	30.6	Very low	33.5	Very low	175 Å²	175	142.7 Å²	142.7	92%	0.916	75%	0.748	S	S	*	*			trans	-77.6	114.6	-178.9	-70.6	167.8	0	0	0	109.8	K566	K566-L568 PolarHBondContact O-N 3.1Å
569	S	30.8	Very low	33.5	Very low	85 Å²	85	143.5 Å²	143.5	59%	0.594	75%	0.749	S	S	*	*			trans	-148.2	127.6	164.1	49.4	0	0	0	0	108.6	S567	S567-S569 PolarHBondContact O-N 2.93Å
570	S	33.2	Very low	33.4	Very low	114 Å²	114	143.5 Å²	143.5	80%	0.797	75%	0.753	S	S	*	*			trans	55.6	115.1	-169.6	45.6	0	0	0	0	114.1
571	L	32.1	Very low	33.3	Very low	172 Å²	172	145.2 Å²	145.2	90%	0.901	77%	0.765	S	S	*	*			cis	42.9	80.1	47.8	-67.6	173.6	0	0	0	112.3
572	N	34.2	Very low	33	Very low	134 Å²	134	141.5 Å²	141.5	72%	0.717	77%	0.766	S	S	*	*				-171.2	171.2	104.2	-147.5	30.6	0	0	0	112.4
573	D	34.3	Very low	32.8	Very low	126 Å²	126	140.7 Å²	140.7	67%	0.674	77%	0.77	S	S	*	*			trans	68.4	73.1	156.5	-56.4	-44.7	0	0	0	120.7
574	S	33.8	Very low	33.1	Very low	105 Å²	105	143.5 Å²	143.5	73%	0.734	78%	0.783	S	S	*	*				29.5	130	111.7	-55	0	0	0	0	122.4
575	S	35.5	Very low	32.9	Very low	101 Å²	101	140.4 Å²	140.4	71%	0.706	78%	0.782	S	S	*	*			trans	98.2	135.2	136.6	79	0	0	0	0	121.3
576	N	35	Very low	33.1	Very low	152 Å²	152	136.4 Å²	136.4	81%	0.813	78%	0.778	S	S	*	*			trans	67.1	138.3	161.9	-52.6	-27.5	0	0	0	118.8
577	A	28.6	Very low	33.1	Very low	85 Å²	85	136.1 Å²	136.1	70%	0.702	78%	0.779	S	S	*	*			cis	154.9	145	-28.6	0	0	0	0	0	107.9
578	M	31.2	Very low	33.1	Very low	177 Å²	177	140.6 Å²	140.6	87%	0.872	79%	0.785	S	S	*	*			trans	76.6	127.5	151.8	-129.6	80.1	156.2	0	0	121.3
579	T	32.6	Very low	33.1	Very low	119 Å²	119	138.3 Å²	138.3	73%	0.73	78%	0.779	S	S	*	*			trans	120.6	95.9	132.4	-47.3	0	0	0	0	120
580	M	33.2	Very low	33	Very low	162 Å²	162	140.1 Å²	140.1	80%	0.798	79%	0.786	S	S	*	*				41	130.1	127.1	-49.1	-76.7	-93.3	0	0	122.5
581	K	35.1	Very low	32.9	Very low	192 Å²	192	141.2 Å²	141.2	84%	0.835	79%	0.787	S	S	*	*				145.7	123.2	94.2	-147.5	169.4	-175.3	179.6	0	116.6
582	A	31.7	Very low	32.8	Very low	92 Å²	92	139.6 Å²	139.6	76%	0.76	78%	0.778	S	S	*	*			trans	50.3	141.3	146.8	0	0	0	0	0	124.9
583	P	33.6	Very low	32.8	Very low	122 Å²	122	141.5 Å²	141.5	79%	0.792	78%	0.783	S	S	*	*			trans	-106.2	173.2	167	41.2	-33.3	0	0	0	114.4
584	L	37.5	Very low	32.7	Very low	184 Å²	184	141.5 Å²	141.5	96%	0.963	78%	0.783	S	S	*	*			trans	-138.4	163	168.3	-79.3	174.4	0	0	0	112
585	D	29.3	Very low	32.7	Very low	142 Å²	142	141 Å²	141	76%	0.759	78%	0.775	S	S	*	*			trans	-134.7	145.9	-159.8	175.7	13.3	0	0	0	110.9
586	L	38.4	Very low	32.6	Very low	150 Å²	150	145.9 Å²	145.9	79%	0.785	78%	0.783	S	S	*	*			trans	-165.9	103.2	159.1	-136	69	0	0	0	117.5
587	Q	34.8	Very low	32.3	Very low	161 Å²	161	141.6 Å²	141.6	75%	0.752	78%	0.775	S	S	*	*				44.8	105.2	127.6	-50.8	-177.3	40	0	0	123.9
588	K	30.3	Very low	32.4	Very low	202 Å²	202	148 Å²	148	88%	0.878	79%	0.787	S	S	*	*				32.2	135.2	112.6	-150.9	179.4	-167.8	-179.6	0	122.1
589	T	29.5	Very low	32.3	Very low	128 Å²	128	143.2 Å²	143.2	79%	0.785	78%	0.776	S	S	*	*				-173.5	148.4	128.1	-75	0	0	0	0	112
590	V	28.2	Very low	32.1	Very low	123 Å²	123	143.4 Å²	143.4	75%	0.745	77%	0.773	S	S	*	*			trans	-135.8	144.4	178.2	168.2	0	0	0	0	109.4	I592	V590-I592 HydrophobicContact CG1-CG1 4.28Å
591	V	31.7	Very low	31.9	Very low	137 Å²	137	146 Å²	146	83%	0.83	77%	0.773	S	S	*	*			trans	-141.9	153.2	164.8	-175.8	0	0	0	0	109.6
592	I	31	Very low	31.6	Very low	138 Å²	138	141.7 Å²	141.7	71%	0.708	77%	0.768	S	S	*	*			trans	-127	178.8	-166.8	-53.8	171.5	0	0	0	109.7	V590	V590-I592 HydrophobicContact CG1-CG1 4.28Å
593	E	33.4	Very low	31.4	Very low	173 Å²	173	143 Å²	143	81%	0.808	77%	0.772	S	S	*	*			trans	87.6	146.9	166	-53.1	-177.2	156.1	0	0	114.9
594	D	33.2	Very low	31.3	Very low	127 Å²	127	141.2 Å²	141.2	68%	0.679	78%	0.775	S	S	*	*			cis	-161.7	137.3	10.2	-135.4	24.3	0	0	0	109.8
595	V	32.9	Very low	30.9	Very low	93 Å²	93	137.3 Å²	137.3	56%	0.564	77%	0.77	S	S	*	*				98.4	139.8	94	150.8	0	0	0	0	119.4
596	K	33.6	Very low	30.9	Very low	205 Å²	205	135.6 Å²	135.6	89%	0.891	78%	0.775	S	S	*	*			trans	68.2	149.8	170.1	-73.1	148.6	-161.8	159.6	0	117.9
597	G	28.3	Very low	30.5	Very low	62 Å²	62	131.6 Å²	131.6	64%	0.639	77%	0.77	S	S	*	*			cis	166.3	173.7	-3.3	0	0	0	0	0	112.5
598	F	30.8	Very low	30.3	Very low	218 Å²	218	132.3 Å²	132.3	96%	0.956	78%	0.777	S	S	*	*			trans	70.2	152.7	-178.5	-79.6	-103.7	0	0	0	118
599	A	29.4	Very low	30.3	Very low	77 Å²	77	127.4 Å²	127.4	64%	0.636	77%	0.774	S	S	*	*				167.3	148.1	-50.9	0	0	0	0	0	110.5
600	N	27.6	Very low	30.3	Very low	124 Å²	124	130.1 Å²	130.1	66%	0.663	78%	0.778	S	S	*	*			trans	82.2	127.2	153.1	-90.7	-32.8	0	0	0	122.9
601	R	28.8	Very low	30.5	Very low	215 Å²	215	133.5 Å²	133.5	81%	0.811	79%	0.786	S	S	*	*			trans	75	146.8	138.4	-65.6	166.8	-163.4	-134.1	4.5	117.7
602	S	29.8	Very low	30.4	Very low	102 Å²	102	135.5 Å²	135.5	71%	0.713	78%	0.783	S	S	*	*			cis	-165.4	152	-8	42.4	0	0	0	0	112.2
603	S	28.3	Very low	30.5	Very low	121 Å²	121	137.2 Å²	137.2	85%	0.846	79%	0.793	S	S	*	*			trans	3.5	133.6	153.8	59.1	0	0	0	0	121.2
604	G	30.6	Very low	30.2	Very low	84 Å²	84	134.4 Å²	134.4	87%	0.866	79%	0.791	S	S	*	*			trans	-159.7	123.2	155.4	0	0	0	0	0	110.3
605	A	28.6	Very low	29.9	Very low	102 Å²	102	133.2 Å²	133.2	84%	0.843	80%	0.799	S	S	*	*			trans	-124.8	176.6	-171.8	0	0	0	0	0	112.5
606	A	29.9	Very low	29.7	Very low	106 Å²	106	140 Å²	140	88%	0.876	81%	0.814	S	S	*	*			trans	74.2	146.8	-179.2	0	0	0	0	0	115.8
607	G	29.7	Very low	29.3	Very low	65 Å²	65	135.7 Å²	135.7	67%	0.67	81%	0.81	S	S	*	*			cis	161	165.4	-8.1	0	0	0	0	0	113
608	I	29.9	Very low	29.5	Very low	176 Å²	176	138.5 Å²	138.5	90%	0.903	82%	0.815	S	S	*	*			trans	66.5	111.9	158.4	-50.5	165.8	0	0	0	117.2
609	A	31.6	Very low	29.6	Very low	100 Å²	100	133.3 Å²	133.3	83%	0.826	80%	0.803	S	S	*	*				-171.1	115.7	117.5	0	0	0	0	0	111.1
610	Q	28.2	Very low	29.6	Very low	184 Å²	184	137.1 Å²	137.1	86%	0.86	81%	0.813	S	S	*	*			trans	-85	142.9	164.2	-66.9	175.6	-13.5	0	0	109
611	Q	34	Very low	29.8	Very low	194 Å²	194	139.2 Å²	139.2	91%	0.907	82%	0.823	S	S	*	*			trans	-137.7	109.8	154.6	-143.3	164.1	44.5	0	0	111.2
612	K	28.9	Very low	30	Very low	180 Å²	180	137.1 Å²	137.1	78%	0.783	82%	0.824	S	S	*	*			trans	-69.2	138.6	166.3	-67.4	170.2	173.7	174.7	0	108.7
613	L	32.7	Very low	30.4	Very low	174 Å²	174	141.4 Å²	141.4	91%	0.911	83%	0.833	S	S	*	*			trans	-141	143.8	144.8	-97.8	172	0	0	0	109.2
614	C	27.1	Very low	30.8	Very low	114 Å²	114	144.7 Å²	144.7	77%	0.77	83%	0.832	S	S	*	*			trans	-97.3	152.6	-161.2	-63.4	0	0	0	0	113.8
615	A	26.5	Very low	31	Very low	101 Å²	101	150.2 Å²	150.2	84%	0.835	83%	0.833	S	S	*	*			trans	37.7	112.9	140.8	0	0	0	0	0	119.4
616	R	28.4	Very low	31.5	Very low	236 Å²	236	153.3 Å²	153.3	89%	0.891	84%	0.835	S	S	*	*			trans	-145.2	117.3	141.5	-163.8	162	178.3	165.8	-3.6	111.4
617	S	26.5	Very low	31.7	Very low	114 Å²	114	157 Å²	157	80%	0.797	83%	0.834	S	S	*	*			trans	-72	138.5	169.9	173.9	0	0	0	0	110.3
618	T	33	Very low	31.9	Very low	122 Å²	122	161.2 Å²	161.2	75%	0.748	84%	0.841	S	S	*	*			trans	-141.3	148.2	161.8	44.1	0	0	0	0	110.3
619	P	31.3	Very low	32.1	Very low	109 Å²	109	162.5 Å²	162.5	71%	0.708	84%	0.84	S	S	*	*			trans	-110.8	168.3	-152.1	40.5	-32.7	0	0	0	115.5
620	N	30.1	Very low	32.3	Very low	157 Å²	157	165.8 Å²	165.8	84%	0.84	84%	0.843	S	S	*	*			trans	22	97.7	154.3	-72.3	-40.8	0	0	0	118.5	M622	N620-M622 PolarHBondContact O-N 3.47Å
621	L	32.7	Very low	32.5	Very low	167 Å²	167	165.4 Å²	165.4	87%	0.874	84%	0.841	S	S	*	*			trans	-83	87.5	159.3	-81.6	161.4	0	0	0	110.2
622	M	33	Very low	32.4	Very low	171 Å²	171	164.4 Å²	164.4	84%	0.842	84%	0.836	S	S	*	*	S	Bend	trans	-143.2	1.3	174.4	-158	61.9	179	0	0	115	N620	N620-M622 PolarHBondContact O-N 3.47Å
623	E	37.5	Very low	32.5	Very low	193 Å²	193	161 Å²	161	90%	0.902	84%	0.835	S	S	*	*	S	Bend	trans	-139.5	38	-173.8	-65.2	-172.9	147	0	0	113.7
624	K	35.5	Very low	32.5	Very low	190 Å²	190	161.4 Å²	161.4	83%	0.826	83%	0.832	S	S	*	*			trans	-150.5	44.3	-177.4	-146.3	164.9	-173.6	172.6	0	117.2
625	F	34.9	Very low	32.8	Very low	199 Å²	199	161 Å²	161	87%	0.873	83%	0.831	S	S	*	*	S	Bend	trans	-121.6	11.6	177.9	-103.3	-76.7	0	0	0	115.6
626	D	39.2	Very low	32.9	Very low	167 Å²	167	159.6 Å²	159.6	89%	0.893	83%	0.826	S	S	*	*	S	Bend	trans	-107	0.3	-176.5	-76.6	-52.7	0	0	0	115.9
627	E	35.7	Very low	33.2	Very low	185 Å²	185	154.2 Å²	154.2	86%	0.864	83%	0.825	S	S	*	*	S	Bend	trans	-138	42.1	-176.7	-75.6	-156.5	147.3	0	0	115.7
628	L	32.5	Very low	33.6	Very low	153 Å²	153	154.6 Å²	154.6	80%	0.801	82%	0.824	S	S	*	*	S	Bend	trans	-138.3	141.7	162.9	-70.1	173.9	0	0	0	109.6
629	F	35.7	Very low	33.6	Very low	202 Å²	202	157.4 Å²	157.4	89%	0.886	83%	0.829	S	S	*	*			trans	79.4	50.7	-172.7	-51.2	-73.4	0	0	0	116.8
630	L	34.4	Very low	33.7	Very low	169 Å²	169	159 Å²	159	89%	0.885	84%	0.837	S	S	*	*			trans	-94.5	158	132.2	-83.3	165	0	0	0	108.2
631	E	33.1	Very low	33.7	Very low	177 Å²	177	155 Å²	155	83%	0.827	83%	0.833	S	S	*	*			trans	71.4	131	-173.9	-52.1	-166.3	157.8	0	0	112.4
632	E	32.7	Very low	33.8	Very low	173 Å²	173	152.5 Å²	152.5	81%	0.808	83%	0.829	S	S	*	*			cis	-135.6	140.1	5.2	-94.4	154.2	138.3	0	0	108.6
633	S	30.4	Very low	33.7	Very low	107 Å²	107	153.5 Å²	153.5	75%	0.748	83%	0.829	S	S	*	*				65.8	99.6	75	-52.7	0	0	0	0	114.8
634	E	32.2	Very low	33.5	Very low	183 Å²	183	150.3 Å²	150.3	86%	0.855	82%	0.818	S	S	*	*			trans	174.3	103.5	140.2	-97.7	-177.1	140	0	0	108.7
635	S	32.8	Very low	33.5	Very low	107 Å²	107	148.8 Å²	148.8	75%	0.748	81%	0.814	S	S	*	*				29.6	113.4	97	60.5	0	0	0	0	114.1
636	G	29.7	Very low	33.7	Very low	70 Å²	70	146 Å²	146	72%	0.722	80%	0.804	S	S	*	*			cis	94.5	99.9	23.5	0	0	0	0	0	110.9
637	S	33.4	Very low	33.6	Very low	124 Å²	124	144 Å²	144	87%	0.867	79%	0.793	S	S	*	*			trans	-161	156.5	159.8	-90.5	0	0	0	0	112.9
638	P	35.7	Very low	33.6	Very low	122 Å²	122	142.6 Å²	142.6	79%	0.792	79%	0.791	S	S	*	*			trans	-110.5	170.2	-161.1	41	-32.1	0	0	0	114.2
639	E	33.5	Very low	33.9	Very low	180 Å²	180	138.6 Å²	138.6	84%	0.841	79%	0.787	S	S	*	*	S	Bend	trans	-89.5	148.2	172.7	-67.7	-162.8	129.4	0	0	114.2
640	T	32.5	Very low	33.8	Very low	143 Å²	143	138.8 Å²	138.8	88%	0.877	79%	0.787	S	S	*	*			trans	77.6	110.8	164	71.7	0	0	0	0	118.8
641	G	31.2	Very low	33.9	Very low	73 Å²	73	135.1 Å²	135.1	75%	0.753	78%	0.782	S	S	*	*			trans	171.7	63.3	172.1	0	0	0	0	0	118.6
642	S	33.1	Very low	34	Very low	115 Å²	115	136.2 Å²	136.2	80%	0.804	78%	0.784	S	S	*	*			trans	76.9	112.6	157.2	-56.1	0	0	0	0	122.6
643	K	32.9	Very low	34.2	Very low	191 Å²	191	131.7 Å²	131.7	83%	0.83	78%	0.776	S	S	*	*			trans	65.6	128.2	130.6	-69.9	-178.3	175.8	175.8	0	123.4
644	N	32	Very low	34.5	Very low	126 Å²	126	133.5 Å²	133.5	67%	0.674	78%	0.777	S	S	*	*			trans	87.5	117.3	142.6	-76.5	1.7	0	0	0	121.7
645	Q	35.8	Very low	34.5	Very low	158 Å²	158	130.5 Å²	130.5	74%	0.738	77%	0.767	S	S	*	*			trans	63.4	142.2	134.5	-60.8	173.5	14.9	0	0	118
646	Q	39.8	Very low	34.6	Very low	142 Å²	142	133.4 Å²	133.4	66%	0.664	77%	0.769	S	S	*	*			cis	-167.4	155.7	-3.6	-126.9	-172.6	-76	0	0	108.7
647	N	36.5	Very low	34.7	Very low	123 Å²	123	135.8 Å²	135.8	66%	0.658	77%	0.774	S	S	*	*			trans	64.7	163.5	155.4	-52	-10.1	0	0	0	118.1
648	D	36.2	Very low	34.7	Very low	156 Å²	156	133.6 Å²	133.6	83%	0.834	77%	0.772	S	S	*	*			cis	-162.6	148	-48.8	-124.5	-51.3	0	0	0	110.7
649	G	38	Very low	34.4	Very low	69 Å²	69	134.3 Å²	134.3	71%	0.711	77%	0.773	S	S	*	*			trans	69.4	166.7	165.9	0	0	0	0	0	120.3
650	K	34.2	Very low	34.4	Very low	206 Å²	206	131.3 Å²	131.3	90%	0.896	77%	0.772	S	S	*	*			cis	173.4	141.8	-29.8	169.8	170.7	178.6	-179.8	0	108.5
651	A	36.3	Very low	34.3	Very low	93 Å²	93	132.1 Å²	132.1	77%	0.769	77%	0.771	S	S	*	*			trans	82.2	158.2	167.7	0	0	0	0	0	118.8
652	K	34.7	Very low	34.4	Very low	199 Å²	199	132 Å²	132	87%	0.865	77%	0.77	S	S	*	*			cis	168.8	148	-42	-178.9	175.6	-169	-174.1	0	107.7
653	A	38.2	Very low	34.4	Very low	79 Å²	79	132.8 Å²	132.8	65%	0.653	77%	0.77	S	S	*	*			trans	73.8	151.2	167.4	0	0	0	0	0	116.8
654	N	35.2	Very low	34.4	Very low	144 Å²	144	131.3 Å²	131.3	77%	0.77	77%	0.771	S	S	*	*			cis	-168.7	178.8	-8.1	-107.3	6.7	0	0	0	110.8
655	N	33.4	Very low	34.5	Very low	121 Å²	121	131.6 Å²	131.6	65%	0.647	78%	0.777	S	S	*	*			trans	82.6	115.8	161.8	-71.1	26.4	0	0	0	117.9
656	E	34.5	Very low	34.3	Very low	167 Å²	167	130 Å²	130	78%	0.78	78%	0.782	S	S	*	*				73.6	137.8	88.9	-69.8	177.4	139.7	0	0	113.1
657	S	31.3	Very low	34	Very low	120 Å²	120	129.2 Å²	129.2	84%	0.839	79%	0.793	S	S	*	*			cis	-163.9	156.7	-7.2	58.6	0	0	0	0	108
658	G	32.9	Very low	33.9	Very low	79 Å²	79	131.3 Å²	131.3	81%	0.814	80%	0.799	S	S	*	*			trans	175.6	111.8	174.7	0	0	0	0	0	114.4
659	V	30.1	Very low	34.1	Very low	136 Å²	136	133.7 Å²	133.7	82%	0.824	80%	0.801	S	S	*	*			trans	-110.7	130.6	179.3	172.5	0	0	0	0	109.8
660	S	34.5	Very low	34.3	Very low	117 Å²	117	136 Å²	136	82%	0.818	80%	0.797	S	S	*	*			trans	-155.4	131.2	157.4	59.6	0	0	0	0	111.2
661	N	29.6	Very low	35.1	Very low	160 Å²	160	133 Å²	133	86%	0.856	80%	0.796	S	S	*	*			trans	-76.6	139.3	-174.6	-57.8	-48.8	0	0	0	112.7
662	G	32.8	Very low	36.4	Very low	70 Å²	70	134.8 Å²	134.8	72%	0.722	78%	0.784	S	S	*	*			trans	-133	132.9	164.9	0	0	0	0	0	109.5
663	V	33.4	Very low	38.4	Very low	132 Å²	132	128.4 Å²	128.4	80%	0.8	76%	0.764	S	S	*	*			trans	-105.1	104.9	-174.5	179.6	0	0	0	0	109.4
664	D	32	Very low	40	Very low	160 Å²	160	130.5 Å²	130.5	86%	0.856	76%	0.755	S	S	*	*			trans	-122	119	173.4	-80.4	-55.5	0	0	0	111.1
665	T	35.2	Very low	42.1	Very low	132 Å²	132	128.7 Å²	128.7	81%	0.81	74%	0.742	S	S	*	*			trans	-113.4	92.3	178	52.6	0	0	0	0	111.8
666	C	30.9	Very low	44.1	Very low	124 Å²	124	125.9 Å²	125.9	84%	0.838	73%	0.729	S	S	*	*	S	Bend	trans	-158.8	78	150.4	-145	0	0	0	0	114.6	E668	C666-E668 PolarHBondContact O-N 3.26Å
667	S	33.7	Very low	46.1	Very low	127 Å²	127	120.4 Å²	120.4	89%	0.888	70%	0.703	S	S	*	*			trans	41.6	69.8	149.3	-59.5	0	0	0	0	119.5
668	E	35.9	Very low	48.2	Very low	167 Å²	167	115 Å²	115	78%	0.78	67%	0.665	S	S	*	*			trans	-85	137.7	150.9	-160.1	168.1	-145.2	0	0	109.6	C666 L670	C666-E668 PolarHBondContact O-N 3.26Å; E668-L670 VanDerWaalsContact C-N 3.32Å; E668-L670 PolarHBondContact O-N 2.92Å
669	K	39.6	Very low	50.3	Low	205 Å²	205	115.2 Å²	115.2	89%	0.891	65%	0.647	S	S	*	*			trans	-77.3	80.8	179.8	-90.9	-170.9	173.5	-176.2	0	110.8	T671	K669-T671 PolarHBondContact O-N 3.45Å
670	L	42.3	Very low	52.4	Low	118 Å²	118	112.7 Å²	112.7	62%	0.618	63%	0.629	S	S	*	*			trans	-66.4	113.6	171.1	-76.4	156.5	0	0	0	110.8	E668 Y672	E668-L670 VanDerWaalsContact C-N 3.32Å; E668-L670 PolarHBondContact O-N 2.92Å; L670-Y672 HydrophobicContact CB-CE2 3.91Å
671	T	51.6	Low	54.3	Low	144 Å²	144	108.3 Å²	108.3	88%	0.883	60%	0.597	S	S	*	*			trans	-88	107.1	171	10.6	0	0	0	0	110.2	K669	K669-T671 PolarHBondContact O-N 3.45Å
672	Y	63.5	Low	56.5	Low	129 Å²	129	104.4 Å²	104.4	51%	0.506	58%	0.576	S	S	.	*			trans	-85	148.4	173.5	-63.2	-78.2	0	0	0	111.6	L670 T676 L680	L670-Y672 HydrophobicContact CB-CE2 3.91Å; Y672-T676 HydrophobicContact CD1-CG2 4Å; Y672-L680 HydrophobicContact CD1-CD1 3.95Å; Y672-L680 HydrophobicContact CE1-CD1 3.84Å; Y672-L680 HydrophobicContact CG-CD1 4.48Å
673	S	76.8	Confident	58.5	Low	65 Å²	65	105.4 Å²	105.4	46%	0.455	57%	0.572	S	S	.	*			trans	-67.4	153.7	164.3	89.8	0	0	0	0	109.8	Q675 T676 F677	S673-Q675 PolarHBondContact O-N 3.49Å; S673-T676 PolarHBondContact O-N 2.94Å; S673-T676 VanDerWaalsContact O-N 3.15Å; S673-T676 PolarHBondContact OG-N 3.38Å; S673-T676 PolarHBondContact OG-OG1 2.95Å; S673-F677 PolarHBondContact O-N 3.39Å
674	R	72	Confident	60	Low	123 Å²	123	101 Å²	101	46%	0.464	55%	0.549	S	S	.	.	H	α-helix	trans	-52.8	-42.2	178.1	-172.1	-175.1	-171	-88.8	-4.1	111.7	F677 I678 W700 E703	R674-F677 PolarHBondContact O-N 3.26Å; R674-I678 HydrophobicContact CG-CD1 4.09Å; R674-I678 WeakPolarHBondContact O-CD1 3.3Å; R674-I678 VanDerWaalsContact O-CG1 3.28Å; R674-I678 WeakPolarHBondContact O-CG1 3.33Å; R674-I678 PolarHBondContact O-N 3.5Å; R674-I678 VanDerWaalsContact O-N 3.16Å; R674-W700 PolarHBondContact NH2-O 2.98Å; R674-E703 IonicContact CZ-OE1 2.68Å; R674-E703 IonicContact CZ-OE2 3.39Å; R674-E703 IonicContact NH1-OE1 2.68Å; R674-E703 PolarHBondContact NH1-OE1 2.98Å; R674-E703 VanDerWaalsContact NH1-OE1 3.08Å; R674-E703 IonicContact NH1-OE2 2.67Å; R674-E703 PolarHBondContact NH1-OE2 3.26Å; R674-E703 IonicContact NH2-OE1 3.89Å; R674-E703 PolarHBondContact NH2-OE1 3.18Å; R674-E703 IonicContact NH2-OE2 3.08Å; R674-E703 PolarHBondContact NH2-OE2 2.85Å
675	Q	77.6	Confident	61.3	Low	106 Å²	106	97.5 Å²	97.5	50%	0.495	54%	0.535	S	S	.	.	H	α-helix	trans	-66.9	-47.1	179.8	-167.7	59.2	47.3	0	0	111.8	S673 F677 I678 D679	S673-Q675 PolarHBondContact O-N 3.49Å; Q675-F677 PolarHBondContact O-N 3.21Å; Q675-I678 WeakPolarHBondContact O-CB 3.44Å; Q675-I678 PolarHBondContact O-N 2.92Å; Q675-D679 PolarHBondContact NE2-OD1 3.48Å; Q675-D679 PolarHBondContact O-N 3.33Å
676	T	75.7	Confident	62.4	Low	62 Å²	62	96.9 Å²	96.9	38%	0.38	54%	0.536	S	S	.	.	H	α-helix	trans	-58.9	-36.6	178.3	-43.1	0	0	0	0	112.1	Y672 S673 L680	Y672-T676 HydrophobicContact CD1-CG2 4Å; S673-T676 PolarHBondContact O-N 2.94Å; S673-T676 VanDerWaalsContact O-N 3.15Å; S673-T676 PolarHBondContact OG-N 3.38Å; S673-T676 PolarHBondContact OG-OG1 2.95Å; T676-L680 HydrophobicContact CG2-CD1 4.27Å; T676-L680 WeakPolarHBondContact O-CB 3.48Å; T676-L680 WeakPolarHBondContact O-CD1 3.44Å; T676-L680 VanDerWaalsContact O-CG 3.26Å; T676-L680 WeakPolarHBondContact O-CG 3.47Å; T676-L680 PolarHBondContact O-N 2.93Å
677	F	76	Confident	63.6	Low	52 Å²	52	96.3 Å²	96.3	23%	0.228	53%	0.534	C	S	.	.	H	α-helix	trans	-66.2	-43.7	174.3	178	-91.1	0	0	0	112.4	S673 R674 Q675 L680 V681 L697 W700 I704	S673-F677 PolarHBondContact O-N 3.39Å; R674-F677 PolarHBondContact O-N 3.26Å; Q675-F677 PolarHBondContact O-N 3.21Å; F677-L680 PolarHBondContact O-N 3.39Å; F677-V681 HydrophobicContact CD1-CG2 4.26Å; F677-V681 HydrophobicContact CE1-CG2 3.81Å; F677-V681 HydrophobicContact CE2-CG2 4.14Å; F677-V681 HydrophobicContact CZ-CG2 3.75Å; F677-V681 WeakPolarHBondContact O-CG2 3.09Å; F677-V681 PolarHBondContact O-N 2.93Å; F677-L697 HydrophobicContact CE1-CD1 3.95Å; F677-L697 HydrophobicContact CZ-CD1 4.04Å; F677-W700 HydrophobicContact CD1-CE3 4.43Å; F677-W700 AromaticContact CD1-CZ3 3.64Å; F677-W700 HydrophobicContact CD1-CZ3 3.64Å; F677-W700 HydrophobicContact CE1-CE3 4.16Å; F677-W700 AromaticContact CE1-CZ3 3.69Å; F677-W700 HydrophobicContact CE1-CZ3 3.69Å; F677-W700 HydrophobicContact CG-CZ3 4.1Å; F677-W700 HydrophobicContact CZ-CZ3 4.19Å; F677-I704 HydrophobicContact CD1-CD1 4.4Å; F677-I704 HydrophobicContact CE1-CD1 4.05Å
678	I	77	Confident	64.7	Low	8 Å²	8	95.1 Å²	95.1	4%	0.041	52%	0.521	C	S	.	.	H	α-helix	trans	-60.5	-49.7	176.5	-65.7	157.1	0	0	0	110.1	R674 Q675 L680 V681 L682 E703 I704	R674-I678 HydrophobicContact CG-CD1 4.09Å; R674-I678 WeakPolarHBondContact O-CD1 3.3Å; R674-I678 VanDerWaalsContact O-CG1 3.28Å; R674-I678 WeakPolarHBondContact O-CG1 3.33Å; R674-I678 PolarHBondContact O-N 3.5Å; R674-I678 VanDerWaalsContact O-N 3.16Å; Q675-I678 WeakPolarHBondContact O-CB 3.44Å; Q675-I678 PolarHBondContact O-N 2.92Å; I678-L680 VanDerWaalsContact C-N 3.31Å; I678-L680 PolarHBondContact O-N 3.33Å; I678-V681 PolarHBondContact O-N 3.25Å; I678-L682 HydrophobicContact CG2-CD1 3.68Å; I678-L682 HydrophobicContact CG2-CG 4.28Å; I678-L682 WeakPolarHBondContact O-CG 3.4Å; I678-L682 PolarHBondContact O-N 3.47Å; I678-E703 HydrophobicContact CD1-CG 3.94Å; I678-E703 WeakPolarHBondContact CD1-OE1 3.49Å; I678-E703 HydrophobicContact CG1-CG 4.2Å; I678-E703 WeakPolarHBondContact CG1-OE1 3.25Å; I678-E703 HydrophobicContact CG2-CG 4.19Å; I678-I704 HydrophobicContact CG1-CD1 4.33Å; I678-I704 HydrophobicContact CG1-CG1 4.4Å; I678-I704 HydrophobicContact CG2-CG1 4.29Å
679	D	76.9	Confident	65.5	Low	83 Å²	83	91 Å²	91	44%	0.444	50%	0.504	S	S	.	.	H	α-helix	trans	-61.2	-40.9	-179	-56.2	-22	0	0	0	111.1	Q675 S683	Q675-D679 PolarHBondContact NE2-OD1 3.48Å; Q675-D679 PolarHBondContact O-N 3.33Å; D679-S683 WeakPolarHBondContact O-CB 3.45Å; D679-S683 PolarHBondContact O-N 3.02Å; D679-S683 PolarHBondContact O-OG 3.48Å
680	L	74.3	Confident	66	Low	82 Å²	82	84.2 Å²	84.2	43%	0.429	49%	0.486	S	S	.	.	H	α-helix	trans	-61.3	-46.6	174.2	-81.8	165.8	0	0	0	112.4	Y672 T676 F677 I678 S683 A684	Y672-L680 HydrophobicContact CD1-CD1 3.95Å; Y672-L680 HydrophobicContact CE1-CD1 3.84Å; Y672-L680 HydrophobicContact CG-CD1 4.48Å; T676-L680 HydrophobicContact CG2-CD1 4.27Å; T676-L680 WeakPolarHBondContact O-CB 3.48Å; T676-L680 WeakPolarHBondContact O-CD1 3.44Å; T676-L680 VanDerWaalsContact O-CG 3.26Å; T676-L680 WeakPolarHBondContact O-CG 3.47Å; T676-L680 PolarHBondContact O-N 2.93Å; F677-L680 PolarHBondContact O-N 3.39Å; I678-L680 VanDerWaalsContact C-N 3.31Å; I678-L680 PolarHBondContact O-N 3.33Å; L680-S683 PolarHBondContact O-N 3.43Å; L680-S683 PolarHBondContact O-OG 2.88Å; L680-A684 PolarHBondContact O-N 3.49Å
681	V	73.7	Confident	66.6	Low	26 Å²	26	83.5 Å²	83.5	16%	0.158	49%	0.491	C	S	.	.	H	α-helix	trans	-68.4	-38.4	-179.6	175.7	0	0	0	0	111.7	F677 I678 S683 A684 L689 I704	F677-V681 HydrophobicContact CD1-CG2 4.26Å; F677-V681 HydrophobicContact CE1-CG2 3.81Å; F677-V681 HydrophobicContact CE2-CG2 4.14Å; F677-V681 HydrophobicContact CZ-CG2 3.75Å; F677-V681 WeakPolarHBondContact O-CG2 3.09Å; F677-V681 PolarHBondContact O-N 2.93Å; I678-V681 PolarHBondContact O-N 3.25Å; V681-S683 VanDerWaalsContact C-N 3.27Å; V681-S683 PolarHBondContact O-N 3.45Å; V681-A684 WeakPolarHBondContact O-CB 3.34Å; V681-A684 PolarHBondContact O-N 3.31Å; V681-L689 HydrophobicContact CG1-CD1 4.47Å; V681-L689 HydrophobicContact CG1-CD2 4.42Å; V681-I704 HydrophobicContact CB-CD1 4.04Å; V681-I704 HydrophobicContact CG1-CD1 4.03Å; V681-I704 HydrophobicContact CG1-CG2 3.72Å; V681-I704 HydrophobicContact CG2-CD1 4.37Å
682	L	75.6	Confident	66.6	Low	77 Å²	77	83.6 Å²	83.6	40%	0.403	49%	0.486	S	S	.	.	H	α-helix	trans	-68.7	-25	174.8	-66.8	173.2	0	0	0	113	I678 Q707	I678-L682 HydrophobicContact CG2-CD1 3.68Å; I678-L682 HydrophobicContact CG2-CG 4.28Å; I678-L682 WeakPolarHBondContact O-CG 3.4Å; I678-L682 PolarHBondContact O-N 3.47Å; L682-Q707 HydrophobicContact CD2-CB 4.24Å
683	S	74.1	Confident	66.1	Low	91 Å²	91	83.4 Å²	83.4	64%	0.636	49%	0.488	S	S	*	.	H	α-helix	trans	-84.4	-10.2	174.2	75.5	0	0	0	0	114.5	D679 L680 V681	D679-S683 WeakPolarHBondContact O-CB 3.45Å; D679-S683 PolarHBondContact O-N 3.02Å; D679-S683 PolarHBondContact O-OG 3.48Å; L680-S683 PolarHBondContact O-N 3.43Å; L680-S683 PolarHBondContact O-OG 2.88Å; V681-S683 VanDerWaalsContact C-N 3.27Å; V681-S683 PolarHBondContact O-N 3.45Å
684	A	66.5	Low	65.3	Low	39 Å²	39	84.3 Å²	84.3	32%	0.322	49%	0.488	S	S	.	.	S	Bend	trans	-77.8	138.3	-175.6	0	0	0	0	0	111.6	L680 V681 S686	L680-A684 PolarHBondContact O-N 3.49Å; V681-A684 WeakPolarHBondContact O-CB 3.34Å; V681-A684 PolarHBondContact O-N 3.31Å; A684-S686 PolarHBondContact O-N 3.05Å
685	P	58.8	Low	64.6	Low	87 Å²	87	81.4 Å²	81.4	57%	0.565	50%	0.496	S	S	*	.			trans	-63.6	138.6	174.7	26.5	-33.4	0	0	0	110.7	S687 V688	P685-S687 PolarHBondContact O-N 3.18Å; P685-V688 HydrophobicContact CG-CG2 4.25Å; P685-V688 PolarHBondContact O-N 2.98Å
686	S	58.3	Low	63.7	Low	120 Å²	120	80.6 Å²	80.6	84%	0.839	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-0.8	-171.2	-43.5	0	0	0	0	115.9	A684	A684-S686 PolarHBondContact O-N 3.05Å
687	S	56.9	Low	62.9	Low	112 Å²	112	78.3 Å²	78.3	78%	0.783	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-7.8	174.2	52.4	0	0	0	0	114.5	P685	P685-S687 PolarHBondContact O-N 3.18Å
688	V	55.1	Low	62.2	Low	102 Å²	102	77.9 Å²	77.9	62%	0.618	49%	0.494	S	S	*	.	S	Bend	trans	-99.2	-17.8	-173	-176.2	0	0	0	0	113.4	P685 A690	P685-V688 HydrophobicContact CG-CG2 4.25Å; P685-V688 PolarHBondContact O-N 2.98Å; V688-A690 PolarHBondContact O-N 3.03Å
689	L	53.6	Low	61.6	Low	79 Å²	79	82.5 Å²	82.5	41%	0.414	53%	0.527	S	S	.	.			trans	-88.6	99.1	-179.4	-64	177.5	0	0	0	111.1	V681	V681-L689 HydrophobicContact CG1-CD1 4.47Å; V681-L689 HydrophobicContact CG1-CD2 4.42Å
690	A	50.1	Low	60.7	Low	64 Å²	64	85.9 Å²	85.9	53%	0.529	53%	0.533	S	S	.	.			trans	-69.9	145.9	171.1	0	0	0	0	0	111.3	V688 D692 F693	V688-A690 PolarHBondContact O-N 3.03Å; A690-D692 PolarHBondContact O-N 3.4Å; A690-D692 VanDerWaalsContact O-N 3.1Å; A690-F693 WeakPolarHBondContact O-CB 3.4Å; A690-F693 PolarHBondContact O-N 3.38Å
691	S	53.9	Low	60.3	Low	102 Å²	102	82 Å²	82	71%	0.713	51%	0.513	S	S	*	.	H	α-helix	trans	-54.5	-31.8	-179.3	51.8	0	0	0	0	114.2	F693 D694	S691-F693 PolarHBondContact O-N 3.05Å; S691-D694 PolarHBondContact O-N 3.13Å
692	D	52.7	Low	59.8	Low	146 Å²	146	83.3 Å²	83.3	78%	0.781	52%	0.522	S	S	*	.	H	α-helix	trans	-75	-13.2	-178.7	-57.3	-17.8	0	0	0	112.8	A690	A690-D692 PolarHBondContact O-N 3.4Å; A690-D692 VanDerWaalsContact O-N 3.1Å
693	F	52.7	Low	59.5	Low	125 Å²	125	82.1 Å²	82.1	55%	0.548	52%	0.515	S	S	.	.	H	α-helix	trans	-79.9	-28.9	178.1	-142.9	-100.9	0	0	0	112.1	A690 S691 G695 S696 L697	A690-F693 WeakPolarHBondContact O-CB 3.4Å; A690-F693 PolarHBondContact O-N 3.38Å; S691-F693 PolarHBondContact O-N 3.05Å; F693-G695 PolarHBondContact O-N 3.48Å; F693-S696 PolarHBondContact O-N 3.1Å; F693-L697 HydrophobicContact CD1-CD1 4.42Å; F693-L697 HydrophobicContact CE1-CD1 4.28Å; F693-L697 WeakPolarHBondContact O-CB 3.48Å; F693-L697 PolarHBondContact O-N 3.24Å; F693-L697 VanDerWaalsContact O-N 3.13Å
694	D	58.9	Low	58.9	Low	84 Å²	84	77.9 Å²	77.9	45%	0.449	49%	0.485	S	S	.	.	H	α-helix	trans	-67.2	-39.5	-167.4	-160	25.9	0	0	0	112.7	S691 S696 L697 A698	S691-D694 PolarHBondContact O-N 3.13Å; D694-S696 VanDerWaalsContact C-N 3.35Å; D694-S696 PolarHBondContact O-N 3.11Å; D694-L697 PolarHBondContact O-N 2.96Å; D694-A698 VanDerWaalsContact O-CB 3.28Å; D694-A698 WeakPolarHBondContact O-CB 3.46Å; D694-A698 PolarHBondContact O-N 3.16Å
695	G	58.6	Low	58.5	Low	62 Å²	62	77.4 Å²	77.4	64%	0.639	48%	0.478	S	S	*	.	H	α-helix	trans	-64.3	-33.3	-179.8	0	0	0	0	0	114.6	F693	F693-G695 PolarHBondContact O-N 3.48Å
696	S	57.3	Low	58.5	Low	90 Å²	90	82.3 Å²	82.3	63%	0.629	49%	0.485	S	S	*	.	H	α-helix	trans	-80.7	-38.7	173.9	-67.8	0	0	0	0	111.3	F693 D694 A698 S699	F693-S696 PolarHBondContact O-N 3.1Å; D694-S696 VanDerWaalsContact C-N 3.35Å; D694-S696 PolarHBondContact O-N 3.11Å; S696-A698 PolarHBondContact O-N 2.91Å; S696-S699 PolarHBondContact O-N 3.34Å; S696-S699 PolarHBondContact O-OG 2.99Å
697	L	59.7	Low	58.5	Low	13 Å²	13	82.4 Å²	82.4	7%	0.068	47%	0.473	C	S	.	.	H	α-helix	trans	-62.2	-42.9	178.3	-156.2	72.8	0	0	0	111.6	F677 F693 D694 S699 W700 A701 I704	F677-L697 HydrophobicContact CE1-CD1 3.95Å; F677-L697 HydrophobicContact CZ-CD1 4.04Å; F693-L697 HydrophobicContact CD1-CD1 4.42Å; F693-L697 HydrophobicContact CE1-CD1 4.28Å; F693-L697 WeakPolarHBondContact O-CB 3.48Å; F693-L697 PolarHBondContact O-N 3.24Å; F693-L697 VanDerWaalsContact O-N 3.13Å; D694-L697 PolarHBondContact O-N 2.96Å; L697-S699 PolarHBondContact O-N 3.39Å; L697-W700 PolarHBondContact O-N 3.29Å; L697-A701 CarbonylContact O-C 3.51Å; L697-A701 PolarHBondContact O-N 3.28Å; L697-I704 HydrophobicContact CD1-CD1 4.35Å; L697-I704 HydrophobicContact CD2-CB 4.3Å; L697-I704 HydrophobicContact CD2-CD1 4.28Å; L697-I704 HydrophobicContact CD2-CG2 3.88Å; L697-I704 HydrophobicContact CG-CD1 4.35Å
698	A	61.9	Low	58.5	Low	44 Å²	44	81.9 Å²	81.9	36%	0.364	47%	0.465	S	S	.	.	H	α-helix	trans	-55.8	-31.3	175.2	0	0	0	0	0	113.7	D694 S696 V705	D694-A698 VanDerWaalsContact O-CB 3.28Å; D694-A698 WeakPolarHBondContact O-CB 3.46Å; D694-A698 PolarHBondContact O-N 3.16Å; S696-A698 PolarHBondContact O-N 2.91Å; A698-V705 HydrophobicContact CB-CG2 3.94Å
699	S	63.8	Low	58.2	Low	104 Å²	104	83.9 Å²	83.9	73%	0.727	47%	0.471	S	S	*	.	H	α-helix	trans	-80	-20	179.8	78.1	0	0	0	0	114.2	S696 L697	S696-S699 PolarHBondContact O-N 3.34Å; S696-S699 PolarHBondContact O-OG 2.99Å; L697-S699 PolarHBondContact O-N 3.39Å
700	W	59.1	Low	57.8	Low	154 Å²	154	88.9 Å²	88.9	58%	0.583	50%	0.504	S	S	*	.	H	α-helix	trans	-117.4	-34.1	-169.1	-165.8	69	0	0	0	113.5	R674 F677 L697	R674-W700 PolarHBondContact NH2-O 2.98Å; F677-W700 HydrophobicContact CD1-CE3 4.43Å; F677-W700 AromaticContact CD1-CZ3 3.64Å; F677-W700 HydrophobicContact CD1-CZ3 3.64Å; F677-W700 HydrophobicContact CE1-CE3 4.16Å; F677-W700 AromaticContact CE1-CZ3 3.69Å; F677-W700 HydrophobicContact CE1-CZ3 3.69Å; F677-W700 HydrophobicContact CG-CZ3 4.1Å; F677-W700 HydrophobicContact CZ-CZ3 4.19Å; L697-W700 PolarHBondContact O-N 3.29Å
701	A	64	Low	58.2	Low	1 Å²	1	90.1 Å²	90.1	1%	0.008	50%	0.503	C	S	.	.			trans	-136.5	65	-176.9	0	0	0	0	0	111	L697 E703 I704	L697-A701 CarbonylContact O-C 3.51Å; L697-A701 PolarHBondContact O-N 3.28Å; A701-E703 VanDerWaalsContact CA-OE1 3.27Å; A701-E703 WeakPolarHBondContact CA-OE1 3.46Å; A701-E703 WeakPolarHBondContact CB-OE1 3.28Å; A701-E703 PolarHBondContact O-N 3.11Å; A701-E703 VanDerWaalsContact O-N 3.12Å; A701-I704 HydrophobicContact CB-CD1 3.55Å; A701-I704 HydrophobicContact CB-CG1 3.95Å; A701-I704 PolarHBondContact O-N 3.44Å
702	P	65.2	Low	58.4	Low	54 Å²	54	89.5 Å²	89.5	35%	0.351	49%	0.492	S	S	.	.	H	α-helix	trans	-63	-18.6	-175.5	26.9	-36.2	0	0	0	113.9	I704 R706	P702-I704 VanDerWaalsContact C-N 3.33Å; P702-R706 WeakPolarHBondContact O-CG 3.32Å; P702-R706 PolarHBondContact O-N 3Å
703	E	68.5	Low	58.7	Low	51 Å²	51	86.3 Å²	86.3	24%	0.238	48%	0.476	C	S	.	.	H	α-helix	trans	-62.7	-34.1	170.7	61	-74.3	168.6	0	0	113.8	R674 I678 A701 R706 Q707	R674-E703 IonicContact CZ-OE1 2.68Å; R674-E703 IonicContact CZ-OE2 3.39Å; R674-E703 IonicContact NH1-OE1 2.68Å; R674-E703 PolarHBondContact NH1-OE1 2.98Å; R674-E703 VanDerWaalsContact NH1-OE1 3.08Å; R674-E703 IonicContact NH1-OE2 2.67Å; R674-E703 PolarHBondContact NH1-OE2 3.26Å; R674-E703 IonicContact NH2-OE1 3.89Å; R674-E703 PolarHBondContact NH2-OE1 3.18Å; R674-E703 IonicContact NH2-OE2 3.08Å; R674-E703 PolarHBondContact NH2-OE2 2.85Å; I678-E703 HydrophobicContact CD1-CG 3.94Å; I678-E703 WeakPolarHBondContact CD1-OE1 3.49Å; I678-E703 HydrophobicContact CG1-CG 4.2Å; I678-E703 WeakPolarHBondContact CG1-OE1 3.25Å; I678-E703 HydrophobicContact CG2-CG 4.19Å; A701-E703 VanDerWaalsContact CA-OE1 3.27Å; A701-E703 WeakPolarHBondContact CA-OE1 3.46Å; A701-E703 WeakPolarHBondContact CB-OE1 3.28Å; A701-E703 PolarHBondContact O-N 3.11Å; A701-E703 VanDerWaalsContact O-N 3.12Å; E703-R706 PolarHBondContact O-N 3.36Å; E703-Q707 PolarHBondContact O-N 3.38Å
704	I	60.3	Low	59.1	Low	3 Å²	3	84.1 Å²	84.1	2%	0.015	47%	0.472	C	S	.	.	H	α-helix	trans	-68.1	-49.3	-178.6	-57.3	176.6	0	0	0	109.3	F677 I678 V681 L697 A701 P702 R706 Q707 T708	F677-I704 HydrophobicContact CD1-CD1 4.4Å; F677-I704 HydrophobicContact CE1-CD1 4.05Å; I678-I704 HydrophobicContact CG1-CD1 4.33Å; I678-I704 HydrophobicContact CG1-CG1 4.4Å; I678-I704 HydrophobicContact CG2-CG1 4.29Å; V681-I704 HydrophobicContact CB-CD1 4.04Å; V681-I704 HydrophobicContact CG1-CD1 4.03Å; V681-I704 HydrophobicContact CG1-CG2 3.72Å; V681-I704 HydrophobicContact CG2-CD1 4.37Å; L697-I704 HydrophobicContact CD1-CD1 4.35Å; L697-I704 HydrophobicContact CD2-CB 4.3Å; L697-I704 HydrophobicContact CD2-CD1 4.28Å; L697-I704 HydrophobicContact CD2-CG2 3.88Å; L697-I704 HydrophobicContact CG-CD1 4.35Å; A701-I704 HydrophobicContact CB-CD1 3.55Å; A701-I704 HydrophobicContact CB-CG1 3.95Å; A701-I704 PolarHBondContact O-N 3.44Å; P702-I704 VanDerWaalsContact C-N 3.33Å; I704-R706 PolarHBondContact O-N 2.96Å; I704-Q707 PolarHBondContact O-N 3.46Å; I704-Q707 VanDerWaalsContact O-N 3.13Å; I704-T708 PolarHBondContact O-N 3.44Å; I704-T708 PolarHBondContact O-OG1 3.48Å
705	V	59.5	Low	59.1	Low	29 Å²	29	84.1 Å²	84.1	18%	0.176	47%	0.473	C	S	.	.	H	α-helix	trans	-62.1	-31.8	178.3	-176	0	0	0	0	111.9	A698 L709	A698-V705 HydrophobicContact CB-CG2 3.94Å; V705-L709 HydrophobicContact CG1-CD1 4.24Å
706	R	59.3	Low	59.1	Low	189 Å²	189	85.5 Å²	85.5	71%	0.713	46%	0.462	S	S	*	.	H	α-helix	trans	-73.1	-26.2	176.6	-77.6	177.1	179.1	165.9	1.6	114.4	P702 E703 I704	P702-R706 WeakPolarHBondContact O-CG 3.32Å; P702-R706 PolarHBondContact O-N 3Å; E703-R706 PolarHBondContact O-N 3.36Å; I704-R706 PolarHBondContact O-N 2.96Å
707	Q	57.4	Low	59.2	Low	123 Å²	123	85.2 Å²	85.2	58%	0.575	45%	0.45	S	S	*	.	H	α-helix	trans	-89.9	-14.1	176.3	-75.8	-175.2	-15	0	0	113.4	L682 E703 I704 L709	L682-Q707 HydrophobicContact CD2-CB 4.24Å; E703-Q707 PolarHBondContact O-N 3.38Å; I704-Q707 PolarHBondContact O-N 3.46Å; I704-Q707 VanDerWaalsContact O-N 3.13Å; Q707-L709 VanDerWaalsContact C-N 3.33Å
708	T	55.9	Low	59.2	Low	101 Å²	101	90.8 Å²	90.8	62%	0.62	48%	0.479	S	S	*	.	S	Bend	trans	-88.6	-0.3	172.2	-36.6	0	0	0	0	112.9	I704	I704-T708 PolarHBondContact O-N 3.44Å; I704-T708 PolarHBondContact O-OG1 3.48Å
709	L	50.8	Low	59	Low	144 Å²	144	94.7 Å²	94.7	75%	0.754	49%	0.489	S	S	*	.			trans	-119.5	16.8	-177.9	-97	159.1	0	0	0	113.4	V705 Q707	V705-L709 HydrophobicContact CG1-CD1 4.24Å; Q707-L709 VanDerWaalsContact C-N 3.33Å
710	V	44	Very low	58.5	Low	183 Å²	183	93.8 Å²	93.8	100%	1.109	47%	0.467	S	S	*	.			trans	-127.5	0	173.2	179.3	0	0	0	0	108.6

Retrieved 710 of 710 residues in 2274.9 ms (Link to these results)

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