A0A5K4F3B2_SCHMA Loading...

MCRS_N domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F3B2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 616 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	36	Very low	43.2	Very low	237 Å²	237	144.3 Å²	144.3	100%	1.167	80%	0.801	S	S	*	*				0	102.7	0	-94.9	151.7	156.7	0	0	108
2	N	42	Very low	43.3	Very low	141 Å²	141	148.5 Å²	148.5	75%	0.754	81%	0.81	S	S	*	*			trans	33.5	141.1	137.4	-57.4	8	0	0	0	118.7
3	H	46.3	Very low	43.1	Very low	159 Å²	159	146.3 Å²	146.3	74%	0.736	81%	0.812	S	S	*	*			cis	-170	158.7	-2.5	-108.2	-63.7	0	0	0	106.1
4	D	38.9	Very low	43.2	Very low	141 Å²	141	140.2 Å²	140.2	75%	0.754	80%	0.799	S	S	*	*			trans	-53.3	166.1	169	-58.4	-67.9	0	0	0	114.7
5	T	49.3	Very low	43.1	Very low	130 Å²	130	139.3 Å²	139.3	80%	0.798	80%	0.798	S	S	*	*			trans	-176.7	104.2	133	-67.7	0	0	0	0	112.6
6	T	43.4	Very low	43.1	Very low	124 Å²	124	139.9 Å²	139.9	76%	0.761	80%	0.797	S	S	*	*			trans	24.5	136.1	134.1	58.6	0	0	0	0	125.8
7	A	44.5	Very low	43	Very low	78 Å²	78	136.9 Å²	136.9	65%	0.645	79%	0.794	S	S	*	*				77.8	122.4	121.6	0	0	0	0	0	123.1
8	N	44.2	Very low	43.1	Very low	162 Å²	162	137.7 Å²	137.7	87%	0.866	80%	0.801	S	S	*	*				167.3	131.7	104.2	-89.2	-33.5	0	0	0	113.4
9	S	40.8	Very low	42.9	Very low	107 Å²	107	139.2 Å²	139.2	75%	0.748	80%	0.8	S	S	*	*			trans	-90.4	179.9	160.3	-24.5	0	0	0	0	109.1
10	P	50.1	Low	43	Very low	112 Å²	112	139.6 Å²	139.6	73%	0.727	81%	0.805	S	S	*	*			cis	-162	178.2	46.7	41.2	-16.1	0	0	0	120.5
11	K	40.2	Very low	42.7	Very low	196 Å²	196	137.7 Å²	137.7	85%	0.852	80%	0.8	S	S	*	*			trans	61.2	129.3	138.1	-78.7	171.2	-177.1	-176.5	0	124.4
12	E	43.6	Very low	43.1	Very low	195 Å²	195	134.3 Å²	134.3	91%	0.911	79%	0.785	S	S	*	*				-179.5	171.5	122.1	-100.5	-179.5	-171.4	0	0	111.1
13	S	41.2	Very low	43	Very low	120 Å²	120	132.7 Å²	132.7	84%	0.839	78%	0.782	S	S	*	*				-147.7	165.3	-101.1	56	0	0	0	0	111.6
14	G	44.3	Very low	42.5	Very low	61 Å²	61	130.4 Å²	130.4	63%	0.629	78%	0.784	S	S	*	*			trans	139.3	96.4	159.9	0	0	0	0	0	115.4
15	T	42.1	Very low	42.7	Very low	127 Å²	127	132.9 Å²	132.9	78%	0.779	79%	0.791	S	S	*	*				67.2	123.8	83.7	59.6	0	0	0	0	114.4
16	N	42.7	Very low	42	Very low	148 Å²	148	135.2 Å²	135.2	79%	0.791	79%	0.793	S	S	*	*				-166.1	134.4	53	-78.5	-45.3	0	0	0	109.6
17	A	40.9	Very low	41.9	Very low	90 Å²	90	134.9 Å²	134.9	74%	0.744	80%	0.796	S	S	*	*				79.5	121.2	75	0	0	0	0	0	116.2
18	T	46.1	Very low	41.6	Very low	150 Å²	150	142 Å²	142	92%	0.92	81%	0.806	S	S	*	*				-171	129.7	126.5	-49.4	0	0	0	0	110.5
19	E	37.8	Very low	41.2	Very low	166 Å²	166	142.3 Å²	142.3	78%	0.776	81%	0.806	S	S	*	*			trans	-93.4	159.8	-173.8	-60.7	168.7	137.4	0	0	113.6
20	T	45.7	Very low	41.1	Very low	147 Å²	147	141 Å²	141	90%	0.902	81%	0.809	S	S	*	*			trans	-157.2	125	135.9	-25.3	0	0	0	0	111.2
21	S	37.6	Very low	40.5	Very low	101 Å²	101	142.8 Å²	142.8	71%	0.706	81%	0.813	S	S	*	*			trans	-131.4	137.7	-177.4	-22.5	0	0	0	0	109.1
22	I	44.1	Very low	40.4	Very low	166 Å²	166	140.6 Å²	140.6	85%	0.851	81%	0.811	S	S	*	*			trans	-146	141.3	158.7	-58.6	-175.5	0	0	0	110.1
23	P	39.2	Very low	40.2	Very low	107 Å²	107	136.3 Å²	136.3	70%	0.695	80%	0.802	S	S	*	*			trans	-124.1	169.5	-155.4	41	-24.3	0	0	0	117.8
24	S	35.8	Very low	39.9	Very low	111 Å²	111	137.8 Å²	137.8	78%	0.776	80%	0.8	S	S	*	*			trans	41.8	131.6	143.5	61.6	0	0	0	0	124
25	H	43	Very low	39.7	Very low	192 Å²	192	146 Å²	146	89%	0.889	81%	0.811	S	S	*	*			trans	-138.9	121	149.3	-146.4	-77	0	0	0	111.3
26	E	35.3	Very low	39.4	Very low	180 Å²	180	145.2 Å²	145.2	84%	0.841	81%	0.809	S	S	*	*			trans	-85.8	151.8	170.1	-89.5	-177.5	134.8	0	0	111.4
27	S	40.7	Very low	38.9	Very low	117 Å²	117	148.8 Å²	148.8	82%	0.818	81%	0.813	S	S	*	*			trans	-155.8	94.4	151.1	64.4	0	0	0	0	113.3
28	R	37.7	Very low	38.6	Very low	228 Å²	228	155 Å²	155	86%	0.86	82%	0.817	S	S	*	*			trans	22.7	123.9	135.4	-69.8	-177.8	174.4	-166.9	-2.2	122.7
29	L	36.2	Very low	37.9	Very low	168 Å²	168	153.9 Å²	153.9	88%	0.88	82%	0.816	S	S	*	*				49.5	129.8	116.3	-63.4	162.9	0	0	0	122
30	G	38.9	Very low	37.7	Very low	78 Å²	78	148.9 Å²	148.9	80%	0.804	81%	0.809	S	S	*	*			trans	178.5	101.3	157.1	0	0	0	0	0	114.6
31	N	36.8	Very low	37.1	Very low	150 Å²	150	149 Å²	149	80%	0.802	80%	0.804	S	S	*	*			trans	-70.5	167.3	178.6	-80.8	-24.4	0	0	0	115.3
32	N	39.2	Very low	36.9	Very low	151 Å²	151	154.4 Å²	154.4	81%	0.807	82%	0.815	S	S	*	*			trans	121.2	100.5	147.9	-61.1	-22.9	0	0	0	112.8
33	S	38.9	Very low	36.3	Very low	104 Å²	104	151.3 Å²	151.3	73%	0.727	81%	0.808	S	S	*	*				77.2	122.4	72.1	-155.3	0	0	0	0	114.5
34	L	35.9	Very low	36.4	Very low	152 Å²	152	157.1 Å²	157.1	80%	0.796	82%	0.816	S	S	*	*			trans	93.6	113.3	155.5	-63.7	166.4	0	0	0	121.7
35	R	39.4	Very low	36.4	Very low	232 Å²	232	158 Å²	158	88%	0.875	82%	0.817	S	S	*	*			trans	100.6	127.8	134.1	-78.4	-177.1	-172.4	-131.5	2.9	119.5
36	P	36.1	Very low	36.2	Very low	112 Å²	112	158.1 Å²	158.1	73%	0.727	82%	0.82	S	S	*	*			trans	-96.6	155.5	175.6	38.6	-31.6	0	0	0	111.7
37	Y	32.3	Very low	36.2	Very low	223 Å²	223	159 Å²	159	88%	0.875	82%	0.821	S	S	*	*			trans	-171.8	159.5	137.1	-118.6	-90.3	0	0	0	111.3
38	R	33.6	Very low	36.4	Very low	220 Å²	220	165.1 Å²	165.1	83%	0.83	83%	0.826	S	S	*	*			trans	-67.7	151.5	-158.8	-70.6	171	169	-167.7	-2.8	118.5
39	S	31.6	Very low	36.2	Very low	127 Å²	127	164.9 Å²	164.9	89%	0.888	83%	0.831	S	S	*	*				60.5	126.8	129.8	-165.8	0	0	0	0	121.1
40	G	33.9	Very low	36.5	Very low	61 Å²	61	160.9 Å²	160.9	63%	0.629	82%	0.823	S	S	*	*			trans	143.3	90.5	149.2	0	0	0	0	0	116
41	D	32.6	Very low	36.6	Very low	150 Å²	150	162.9 Å²	162.9	80%	0.802	83%	0.825	S	S	*	*			trans	37.6	113.7	143	-61.8	-33	0	0	0	121.5
42	F	34.6	Very low	36.9	Very low	214 Å²	214	167.1 Å²	167.1	94%	0.939	83%	0.829	S	S	*	*			trans	-141.3	97.7	140.7	-93.4	-80.2	0	0	0	110.9
43	S	31.5	Very low	37.2	Very low	101 Å²	101	166.7 Å²	166.7	71%	0.706	83%	0.825	S	S	*	*			trans	-69.7	133.3	159.6	-70.8	0	0	0	0	109.8
44	R	40.2	Very low	37.4	Very low	228 Å²	228	164.4 Å²	164.4	86%	0.86	81%	0.809	S	S	*	*				161.2	120.1	122.6	-86.2	168	-169.9	-161.1	3.9	113.3
45	T	36.6	Very low	38.1	Very low	129 Å²	129	165.3 Å²	165.3	79%	0.791	81%	0.809	S	S	*	*			trans	66.5	104.4	136.6	54.3	0	0	0	0	120.9
46	M	37.3	Very low	38.6	Very low	195 Å²	195	161.5 Å²	161.5	96%	0.961	80%	0.801	S	S	*	*			trans	-135.9	112.3	142.1	-93.7	-94.9	-134.4	0	0	109.1
47	K	37.2	Very low	39	Very low	200 Å²	200	162.1 Å²	162.1	87%	0.87	79%	0.792	S	S	*	*			trans	-67.5	124.7	173.8	-76.3	165.4	169.4	169.9	0	110.2
48	R	42.9	Very low	39.4	Very low	245 Å²	245	153.4 Å²	153.4	93%	0.925	77%	0.767	S	S	*	*			trans	-144.8	120.8	140.8	-74.7	-161.7	167.4	163.9	-4.9	110.5	A50	R48-A50 PolarHBondContact O-N 2.96Å
49	K	33.8	Very low	39.7	Very low	222 Å²	222	150.5 Å²	150.5	97%	0.965	76%	0.76	S	S	*	*			trans	-61.8	115.4	174	-97	168.1	164.5	176.3	0	109.5
50	A	42.6	Very low	40.1	Very low	85 Å²	85	153.8 Å²	153.8	70%	0.702	75%	0.753	S	S	*	*			trans	-136.5	130.2	151.5	0	0	0	0	0	105.9	R48 R52	R48-A50 PolarHBondContact O-N 2.96Å; A50-R52 PolarHBondContact O-N 3.5Å
51	S	42.3	Very low	40.2	Very low	120 Å²	120	156.5 Å²	156.5	84%	0.839	75%	0.749	S	S	*	*			trans	-53.1	104.7	-173.4	49.3	0	0	0	0	111.6	I53	S51-I53 PolarHBondContact O-N 3.45Å
52	R	41.9	Very low	40.7	Very low	239 Å²	239	155.7 Å²	155.7	90%	0.902	74%	0.744	S	S	*	*			trans	-74.5	88.2	170.5	-69.1	179.7	-177.1	170	-0.8	108.7	A50 S54	A50-R52 PolarHBondContact O-N 3.5Å; R52-S54 VanDerWaalsContact C-N 3.35Å; R52-S54 PolarHBondContact O-N 3.18Å; R52-S54 VanDerWaalsContact O-N 3.15Å
53	I	46	Very low	41.2	Very low	141 Å²	141	155.6 Å²	155.6	72%	0.723	74%	0.737	S	S	*	*			trans	-62.1	112.3	143.4	-64.9	173.3	0	0	0	104.3	S51 H55	S51-I53 PolarHBondContact O-N 3.45Å; I53-H55 PolarHBondContact O-N 3.49Å; I53-H55 VanDerWaalsContact O-N 3.09Å
54	S	42.8	Very low	42	Very low	56 Å²	56	156.8 Å²	156.8	39%	0.392	74%	0.735	S	S	.	*			trans	-49	115.4	-176	167.8	0	0	0	0	110.5	R52 H56 K57 A58	R52-S54 VanDerWaalsContact C-N 3.35Å; R52-S54 PolarHBondContact O-N 3.18Å; R52-S54 VanDerWaalsContact O-N 3.15Å; S54-H56 PolarHBondContact O-N 3.15Å; S54-H56 WeakPolarHBondContact OG-CB 3.39Å; S54-H56 PolarHBondContact OG-N 2.99Å; S54-K57 PolarHBondContact O-N 3.4Å; S54-K57 PolarHBondContact OG-N 3.4Å; S54-A58 PolarHBondContact O-N 2.8Å
55	H	50.6	Low	42.9	Very low	172 Å²	172	149.2 Å²	149.2	80%	0.796	72%	0.722	S	S	*	*	H	α-helix	trans	-53.7	-22.9	169.5	-84	-78.4	0	0	0	111.9	I53 K59	I53-H55 PolarHBondContact O-N 3.49Å; I53-H55 VanDerWaalsContact O-N 3.09Å; H55-K59 VanDerWaalsContact O-CB 3.29Å; H55-K59 WeakPolarHBondContact O-CB 3.42Å; H55-K59 PolarHBondContact O-N 3.48Å; H55-K59 VanDerWaalsContact O-N 3.07Å
56	H	50.6	Low	44.8	Very low	151 Å²	151	146.5 Å²	146.5	70%	0.699	71%	0.706	S	S	*	*	H	α-helix	trans	-75.7	-27	172.5	-78.7	-71.8	0	0	0	114.3	S54 R60	S54-H56 PolarHBondContact O-N 3.15Å; S54-H56 WeakPolarHBondContact OG-CB 3.39Å; S54-H56 PolarHBondContact OG-N 2.99Å; H56-R60 PolarHBondContact O-N 3.42Å
57	K	44.9	Very low	47.3	Very low	125 Å²	125	138.7 Å²	138.7	54%	0.543	67%	0.666	S	S	.	*	H	α-helix	trans	-76.6	-42.2	174.1	-166.4	173.3	176.3	-177.9	0	110.7	S54 K59 R60 E61	S54-K57 PolarHBondContact O-N 3.4Å; S54-K57 PolarHBondContact OG-N 3.4Å; K57-K59 PolarHBondContact O-N 3.06Å; K57-R60 PolarHBondContact O-N 3.15Å; K57-E61 WeakPolarHBondContact CE-OE1 3.47Å; K57-E61 IonicContact NZ-OE1 3.17Å; K57-E61 WeakPolarHBondContact O-CB 3.34Å; K57-E61 PolarHBondContact O-N 2.74Å
58	A	39.8	Very low	49.8	Very low	41 Å²	41	131.9 Å²	131.9	34%	0.339	64%	0.641	S	S	.	*	H	α-helix	trans	-61.5	-41.1	172.5	0	0	0	0	0	112.3	S54 R60 E61 I62	S54-A58 PolarHBondContact O-N 2.8Å; A58-R60 VanDerWaalsContact C-N 3.29Å; A58-R60 PolarHBondContact O-N 3.49Å; A58-E61 PolarHBondContact O-N 3.26Å; A58-I62 WeakPolarHBondContact O-CB 3.47Å; A58-I62 VanDerWaalsContact O-CD1 3.25Å; A58-I62 WeakPolarHBondContact O-CD1 3.39Å; A58-I62 WeakPolarHBondContact O-CG1 3.36Å; A58-I62 PolarHBondContact O-N 2.95Å; A58-I62 VanDerWaalsContact O-N 3.1Å
59	K	39.8	Very low	52.2	Low	159 Å²	159	122.4 Å²	122.4	69%	0.691	61%	0.612	S	S	*	*	H	α-helix	trans	-71.6	-18.4	179	-146.7	175.3	-170.2	-177.7	0	114.1	H55 K57	H55-K59 VanDerWaalsContact O-CB 3.29Å; H55-K59 WeakPolarHBondContact O-CB 3.42Å; H55-K59 PolarHBondContact O-N 3.48Å; H55-K59 VanDerWaalsContact O-N 3.07Å; K57-K59 PolarHBondContact O-N 3.06Å
60	R	40.3	Very low	55	Low	196 Å²	196	112.3 Å²	112.3	74%	0.74	57%	0.57	S	S	*	*	H	α-helix	trans	-91.7	-37.7	172.5	-90.2	-176.7	169.9	175.6	-3	112.6	H56 K57 A58 I62 R63	H56-R60 PolarHBondContact O-N 3.42Å; K57-R60 PolarHBondContact O-N 3.15Å; A58-R60 VanDerWaalsContact C-N 3.29Å; A58-R60 PolarHBondContact O-N 3.49Å; R60-I62 VanDerWaalsContact C-N 3.34Å; R60-R63 PolarHBondContact O-N 3.03Å
61	E	37	Very low	57.5	Low	117 Å²	117	108.4 Å²	108.4	55%	0.547	54%	0.538	S	S	.	.	H	α-helix	trans	-71.1	-28.7	178.1	-76.8	173.4	174.2	0	0	112.4	K57 A58 R63 N64	K57-E61 WeakPolarHBondContact CE-OE1 3.47Å; K57-E61 IonicContact NZ-OE1 3.17Å; K57-E61 WeakPolarHBondContact O-CB 3.34Å; K57-E61 PolarHBondContact O-N 2.74Å; A58-E61 PolarHBondContact O-N 3.26Å; E61-R63 VanDerWaalsContact C-N 3.29Å; E61-R63 PolarHBondContact O-N 3.37Å; E61-N64 PolarHBondContact O-N 3.31Å
62	I	42.6	Very low	60	Low	134 Å²	134	103 Å²	103	69%	0.687	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-70.1	-23.9	173.7	-65.4	163.2	0	0	0	112.5	A58 R60 N64	A58-I62 WeakPolarHBondContact O-CB 3.47Å; A58-I62 VanDerWaalsContact O-CD1 3.25Å; A58-I62 WeakPolarHBondContact O-CD1 3.39Å; A58-I62 WeakPolarHBondContact O-CG1 3.36Å; A58-I62 PolarHBondContact O-N 2.95Å; A58-I62 VanDerWaalsContact O-N 3.1Å; R60-I62 VanDerWaalsContact C-N 3.34Å; I62-N64 PolarHBondContact O-N 2.69Å
63	R	44.6	Very low	62.5	Low	211 Å²	211	93 Å²	93	80%	0.796	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-77	-7.5	175.8	-76.9	-174.1	171.7	-156.8	-4.5	113.9	R60 E61	R60-R63 PolarHBondContact O-N 3.03Å; E61-R63 VanDerWaalsContact C-N 3.29Å; E61-R63 PolarHBondContact O-N 3.37Å
64	N	48.7	Very low	64.8	Low	126 Å²	126	86.5 Å²	86.5	67%	0.674	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-113.2	1.5	-168.2	-68.1	-4.5	0	0	0	114.5	E61 I62 P66	E61-N64 PolarHBondContact O-N 3.31Å; I62-N64 PolarHBondContact O-N 2.69Å; N64-P66 WeakPolarHBondContact O-CD 3.46Å
65	A	58.3	Low	67.2	Low	70 Å²	70	83.8 Å²	83.8	58%	0.579	41%	0.41	S	S	*	.			trans	-95.7	98.5	170.5	0	0	0	0	0	108.4	W67	A65-W67 PolarHBondContact O-N 3.35Å
66	P	76.8	Confident	69.2	Low	71 Å²	71	77.5 Å²	77.5	46%	0.461	38%	0.381	S	S	.	.			trans	-61.2	-31	-177.7	15.3	-25.2	0	0	0	112.6	N64 F98	N64-P66 WeakPolarHBondContact O-CD 3.46Å; P66-F98 HydrophobicContact CB-CE1 3.72Å; P66-F98 HydrophobicContact CB-CZ 4.19Å; P66-F98 WeakPolarHBondContact O-CZ 3.26Å
67	W	89.3	Confident	71.1	Confident	31 Å²	31	72 Å²	72	12%	0.117	36%	0.357	C	S	.	.			trans	-91.4	120.1	-173.9	-65.5	93	0	0	0	111.9	A65 D71 L75 F94 F98 I103 R106	A65-W67 PolarHBondContact O-N 3.35Å; W67-D71 HydrophobicContact CE3-CB 3.56Å; W67-D71 HydrophobicContact CZ3-CB 4Å; W67-L75 HydrophobicContact CH2-CD2 4.24Å; W67-L75 HydrophobicContact CZ3-CD2 4.08Å; W67-F94 HydrophobicContact CZ3-CD1 4.11Å; W67-F94 HydrophobicContact CZ3-CE1 4.13Å; W67-F98 HydrophobicContact CD2-CE2 4.02Å; W67-F98 HydrophobicContact CD2-CZ 4.04Å; W67-F98 HydrophobicContact CE3-CD2 4.29Å; W67-F98 AromaticContact CE3-CE2 3.8Å; W67-F98 HydrophobicContact CE3-CE2 3.8Å; W67-F98 HydrophobicContact CE3-CZ 4.26Å; W67-F98 HydrophobicContact CH2-CB 4.31Å; W67-F98 AromaticContact CH2-CD2 3.37Å; W67-F98 HydrophobicContact CH2-CD2 3.37Å; W67-F98 AromaticContact CH2-CE2 3.75Å; W67-F98 HydrophobicContact CH2-CE2 3.75Å; W67-F98 AromaticContact CH2-CG 3.82Å; W67-F98 HydrophobicContact CH2-CG 3.82Å; W67-F98 HydrophobicContact CH2-CZ 4.49Å; W67-F98 HydrophobicContact CZ2-CB 4.28Å; W67-F98 HydrophobicContact CZ2-CD1 4.03Å; W67-F98 AromaticContact CZ2-CD2 3.69Å; W67-F98 HydrophobicContact CZ2-CD2 3.69Å; W67-F98 HydrophobicContact CZ2-CE1 4.34Å; W67-F98 AromaticContact CZ2-CE2 3.98Å; W67-F98 HydrophobicContact CZ2-CE2 3.98Å; W67-F98 AromaticContact CZ2-CG 3.71Å; W67-F98 HydrophobicContact CZ2-CG 3.71Å; W67-F98 HydrophobicContact CZ2-CZ 4.3Å; W67-F98 AromaticContact CZ3-CD2 3.71Å; W67-F98 HydrophobicContact CZ3-CD2 3.71Å; W67-F98 AromaticContact CZ3-CE2 3.65Å; W67-F98 HydrophobicContact CZ3-CE2 3.65Å; W67-F98 HydrophobicContact CZ3-CZ 4.48Å; W67-I103 HydrophobicContact CH2-CG1 4.08Å; W67-R106 HydrophobicContact CD2-CB 4.16Å; W67-R106 HydrophobicContact CD2-CG 3.54Å; W67-R106 VanDerWaalsContact CE2-CG 3.46Å; W67-R106 HydrophobicContact CE3-CG 3.86Å; W67-R106 HydrophobicContact CG-CG 4.02Å; W67-R106 HydrophobicContact CH2-CB 3.97Å; W67-R106 HydrophobicContact CH2-CG 4.07Å; W67-R106 HydrophobicContact CZ2-CB 3.42Å; W67-R106 VanDerWaalsContact CZ2-CB 3.42Å; W67-R106 HydrophobicContact CZ2-CG 3.75Å; W67-R106 HydrophobicContact CZ3-CG 4.12Å
68	T	91.2	Very high	73.1	Confident	57 Å²	57	66 Å²	66	35%	0.35	33%	0.331	S	S	.	.			trans	-84.1	159.8	170.2	71.3	0	0	0	0	110.7	G70 D71 D72 A95	T68-G70 PolarHBondContact O-N 2.91Å; T68-G70 PolarHBondContact OG1-N 3.42Å; T68-D71 WeakPolarHBondContact CB-OD2 3.42Å; T68-D71 WeakPolarHBondContact CG2-OD2 3.46Å; T68-D71 PolarHBondContact N-OD2 3Å; T68-D71 WeakPolarHBondContact O-CB 3.38Å; T68-D71 PolarHBondContact O-N 3.22Å; T68-D71 PolarHBondContact OG1-N 3.43Å; T68-D71 VanDerWaalsContact OG1-N 3.16Å; T68-D71 PolarHBondContact OG1-OD2 2.92Å; T68-D72 PolarHBondContact O-N 3.03Å; T68-D72 VanDerWaalsContact O-N 3.11Å; T68-A95 HydrophobicContact CG2-CB 4.12Å
69	P	93	Very high	75.4	Confident	47 Å²	47	64.6 Å²	64.6	31%	0.305	32%	0.318	S	S	.	.	H	α-helix	trans	-59.8	-28.3	173.6	-22.4	33.7	0	0	0	112.7	Y73 A123 I124 L127	P69-Y73 WeakPolarHBondContact O-CB 3.44Å; P69-Y73 PolarHBondContact O-N 3.44Å; P69-A123 HydrophobicContact CB-CB 3.92Å; P69-A123 HydrophobicContact CG-CB 3.76Å; P69-I124 WeakPolarHBondContact O-CG1 3.45Å; P69-L127 HydrophobicContact CB-CD1 4.13Å; P69-L127 HydrophobicContact CB-CD2 4.04Å; P69-L127 HydrophobicContact CB-CG 4.08Å
70	G	92.6	Very high	77.5	Confident	9 Å²	9	61.1 Å²	61.1	9%	0.093	31%	0.31	C	S	.	.	H	α-helix	trans	-67.7	-37.7	173.3	0	0	0	0	0	112.6	T68 Y73 L74	T68-G70 PolarHBondContact O-N 2.91Å; T68-G70 PolarHBondContact OG1-N 3.42Å; G70-Y73 WeakPolarHBondContact O-CB 3.19Å; G70-Y73 PolarHBondContact O-N 3.46Å; G70-L74 WeakPolarHBondContact O-CG 3.5Å; G70-L74 PolarHBondContact O-N 2.97Å
71	D	94.2	Very high	79.2	Confident	4 Å²	4	54.9 Å²	54.9	2%	0.021	29%	0.29	C	S	.	.	H	α-helix	trans	-67	-43.8	176	-59	-45.1	0	0	0	111.6	W67 T68 Y73 L74 L75 F94 A95	W67-D71 HydrophobicContact CE3-CB 3.56Å; W67-D71 HydrophobicContact CZ3-CB 4Å; T68-D71 WeakPolarHBondContact CB-OD2 3.42Å; T68-D71 WeakPolarHBondContact CG2-OD2 3.46Å; T68-D71 PolarHBondContact N-OD2 3Å; T68-D71 WeakPolarHBondContact O-CB 3.38Å; T68-D71 PolarHBondContact O-N 3.22Å; T68-D71 PolarHBondContact OG1-N 3.43Å; T68-D71 VanDerWaalsContact OG1-N 3.16Å; T68-D71 PolarHBondContact OG1-OD2 2.92Å; D71-Y73 VanDerWaalsContact C-N 3.3Å; D71-Y73 PolarHBondContact O-N 2.9Å; D71-L74 PolarHBondContact O-N 2.69Å; D71-L75 VanDerWaalsContact O-CB 3.28Å; D71-L75 WeakPolarHBondContact O-CB 3.43Å; D71-L75 PolarHBondContact O-N 3.08Å; D71-F94 HydrophobicContact CB-CD1 3.89Å; D71-F94 WeakPolarHBondContact OD1-CA 3.46Å; D71-F94 WeakPolarHBondContact OD1-CB 3.35Å; D71-A95 PolarHBondContact OD1-N 2.97Å
72	D	95.1	Very high	80.9	Confident	5 Å²	5	50.8 Å²	50.8	3%	0.027	27%	0.273	C	S	.	.	H	α-helix	trans	-62.4	-39.9	175.6	-70.3	-32.2	0	0	0	110.8	T68 L75 I76 R106 A120 I124	T68-D72 PolarHBondContact O-N 3.03Å; T68-D72 VanDerWaalsContact O-N 3.11Å; D72-L75 PolarHBondContact O-N 3Å; D72-I76 WeakPolarHBondContact O-CB 3.29Å; D72-I76 WeakPolarHBondContact O-CD1 3.43Å; D72-I76 WeakPolarHBondContact O-CG1 3.36Å; D72-I76 PolarHBondContact O-N 3Å; D72-R106 VanDerWaalsContact CG-NH2 3.32Å; D72-R106 IonicContact OD1-CZ 2.78Å; D72-R106 IonicContact OD1-NE 3Å; D72-R106 PolarHBondContact OD1-NE 3.32Å; D72-R106 IonicContact OD1-NH2 2.9Å; D72-R106 PolarHBondContact OD1-NH2 3.39Å; D72-R106 IonicContact OD2-CZ 2.74Å; D72-R106 IonicContact OD2-NE 3.27Å; D72-R106 IonicContact OD2-NH2 2.95Å; D72-R106 PolarHBondContact OD2-NH2 3.26Å; D72-A120 HydrophobicContact CB-CB 4.42Å; D72-A120 WeakPolarHBondContact OD2-CB 3.27Å; D72-I124 HydrophobicContact CB-CD1 3.85Å; D72-I124 HydrophobicContact CB-CG1 4.39Å
73	Y	94.9	Very high	82.5	Confident	31 Å²	31	49.5 Å²	49.5	12%	0.122	28%	0.275	C	S	.	.	H	α-helix	trans	-60.4	-47.8	173.9	-178.1	-93	0	0	0	112.2	P69 G70 D71 N77 I124 K132 L135 D136 I139	P69-Y73 WeakPolarHBondContact O-CB 3.44Å; P69-Y73 PolarHBondContact O-N 3.44Å; G70-Y73 WeakPolarHBondContact O-CB 3.19Å; G70-Y73 PolarHBondContact O-N 3.46Å; D71-Y73 VanDerWaalsContact C-N 3.3Å; D71-Y73 PolarHBondContact O-N 2.9Å; Y73-N77 WeakPolarHBondContact CD2-ND2 3.36Å; Y73-N77 WeakPolarHBondContact CE2-ND2 3.49Å; Y73-N77 PolarHBondContact O-N 2.66Å; Y73-N77 VanDerWaalsContact O-N 3.14Å; Y73-N77 PolarHBondContact O-ND2 3.12Å; Y73-I124 HydrophobicContact CD2-CG2 3.73Å; Y73-K132 HydrophobicContact CE2-CG 4.37Å; Y73-L135 HydrophobicContact CD1-CB 3.63Å; Y73-L135 HydrophobicContact CD1-CD1 3.71Å; Y73-L135 HydrophobicContact CD1-CG 4.31Å; Y73-L135 HydrophobicContact CE1-CB 3.75Å; Y73-L135 HydrophobicContact CE1-CD1 4.42Å; Y73-L135 HydrophobicContact CG-CD1 4.17Å; Y73-D136 WeakPolarHBondContact CE1-OD1 3.47Å; Y73-D136 PolarHBondContact OH-OD1 2.8Å; Y73-I139 HydrophobicContact CE1-CD1 4.17Å
74	L	93.3	Very high	84.1	Confident	3 Å²	3	40.2 Å²	40.2	2%	0.016	24%	0.241	C	C	.	.	H	α-helix	trans	-63.7	-44.6	177.8	-76.1	174.1	0	0	0	111.6	G70 D71 S78 V92 F94 L135 Q138 I139	G70-L74 WeakPolarHBondContact O-CG 3.5Å; G70-L74 PolarHBondContact O-N 2.97Å; D71-L74 PolarHBondContact O-N 2.69Å; L74-S78 WeakPolarHBondContact O-CB 3.44Å; L74-S78 PolarHBondContact O-N 3.4Å; L74-S78 PolarHBondContact O-OG 3.14Å; L74-V92 HydrophobicContact CB-CG1 4.02Å; L74-V92 HydrophobicContact CD1-CG1 4.26Å; L74-F94 HydrophobicContact CB-CD1 4.43Å; L74-F94 HydrophobicContact CB-CE1 4.11Å; L74-L135 HydrophobicContact CD1-CD2 3.8Å; L74-L135 HydrophobicContact CD2-CB 3.98Å; L74-L135 HydrophobicContact CD2-CD2 4.2Å; L74-L135 WeakPolarHBondContact CD2-O 3.37Å; L74-L135 HydrophobicContact CG-CB 4.36Å; L74-L135 HydrophobicContact CG-CD2 3.88Å; L74-Q138 HydrophobicContact CD2-CB 3.9Å; L74-I139 HydrophobicContact CD2-CG1 4.13Å
75	L	94.2	Very high	85.7	Confident	0 Å²	0	36 Å²	36	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62	-51.1	-179.1	179.9	56.9	0	0	0	110.9	W67 D71 D72 S78 V79 L85 V88 F94 I103 R106 W107 L110	W67-L75 HydrophobicContact CH2-CD2 4.24Å; W67-L75 HydrophobicContact CZ3-CD2 4.08Å; D71-L75 VanDerWaalsContact O-CB 3.28Å; D71-L75 WeakPolarHBondContact O-CB 3.43Å; D71-L75 PolarHBondContact O-N 3.08Å; D72-L75 PolarHBondContact O-N 3Å; L75-S78 PolarHBondContact O-N 2.91Å; L75-V79 HydrophobicContact CD1-CG2 3.78Å; L75-V79 WeakPolarHBondContact O-CB 3.34Å; L75-V79 WeakPolarHBondContact O-CG2 3.47Å; L75-V79 PolarHBondContact O-N 3.45Å; L75-L85 HydrophobicContact CD1-CD2 4.38Å; L75-V88 HydrophobicContact CD1-CG1 4.06Å; L75-F94 HydrophobicContact CB-CE1 4.01Å; L75-F94 HydrophobicContact CB-CZ 4.36Å; L75-F94 HydrophobicContact CD1-CZ 4.25Å; L75-I103 HydrophobicContact CD1-CG2 3.61Å; L75-R106 HydrophobicContact CD2-CB 4.07Å; L75-R106 HydrophobicContact CD2-CG 3.76Å; L75-W107 HydrophobicContact CD2-CB 4.41Å; L75-W107 HydrophobicContact CG-CE3 4.25Å; L75-L110 HydrophobicContact CD2-CD1 3.95Å
76	I	92.3	Very high	86.8	Confident	39 Å²	39	33 Å²	33	20%	0.2	19%	0.193	C	C	.	.	H	α-helix	trans	-59	-54.5	-179.1	-68	164.3	0	0	0	110.3	D72 S78 V79 V80 W107 L110 L121 I124	D72-I76 WeakPolarHBondContact O-CB 3.29Å; D72-I76 WeakPolarHBondContact O-CD1 3.43Å; D72-I76 WeakPolarHBondContact O-CG1 3.36Å; D72-I76 PolarHBondContact O-N 3Å; I76-S78 PolarHBondContact O-N 3.21Å; I76-V79 PolarHBondContact O-N 3.25Å; I76-V80 VanDerWaalsContact O-CG2 3.22Å; I76-V80 WeakPolarHBondContact O-CG2 3.3Å; I76-V80 PolarHBondContact O-N 2.96Å; I76-W107 HydrophobicContact CB-CZ3 4.43Å; I76-W107 HydrophobicContact CG1-CZ3 4.07Å; I76-L110 HydrophobicContact CD1-CD1 4.37Å; I76-L110 HydrophobicContact CG1-CD1 4.07Å; I76-L121 HydrophobicContact CD1-CD2 4.45Å; I76-I124 HydrophobicContact CD1-CD1 3.76Å
77	N	90.7	Very high	86.6	Confident	35 Å²	35	32 Å²	32	19%	0.187	18%	0.182	C	C	.	.	H	α-helix	trans	-67.8	-39.4	-175.6	-69.7	-66	0	0	0	112.1	Y73 V80 M81 I139	Y73-N77 WeakPolarHBondContact CD2-ND2 3.36Å; Y73-N77 WeakPolarHBondContact CE2-ND2 3.49Å; Y73-N77 PolarHBondContact O-N 2.66Å; Y73-N77 VanDerWaalsContact O-N 3.14Å; Y73-N77 PolarHBondContact O-ND2 3.12Å; N77-V80 PolarHBondContact O-N 3.49Å; N77-M81 VanDerWaalsContact O-CG 3.27Å; N77-M81 WeakPolarHBondContact O-CG 3.23Å; N77-M81 PolarHBondContact O-N 3.46Å; N77-I139 HydrophobicContact CB-CD1 3.56Å; N77-I139 HydrophobicContact CB-CG1 4.23Å; N77-I139 HydrophobicContact CB-CG2 4.48Å
78	S	87.3	Confident	86.2	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-68.4	-37.2	179.9	-55.2	0	0	0	0	112.4	L74 L75 I76 M81 V82 V92 P140	L74-S78 WeakPolarHBondContact O-CB 3.44Å; L74-S78 PolarHBondContact O-N 3.4Å; L74-S78 PolarHBondContact O-OG 3.14Å; L75-S78 PolarHBondContact O-N 2.91Å; I76-S78 PolarHBondContact O-N 3.21Å; S78-M81 PolarHBondContact O-N 3.32Å; S78-V82 WeakPolarHBondContact O-CB 3.4Å; S78-V82 WeakPolarHBondContact O-CG2 3.42Å; S78-V82 PolarHBondContact O-N 3.47Å; S78-V92 WeakPolarHBondContact OG-CG2 3.41Å; S78-P140 WeakPolarHBondContact OG-CD 3.28Å
79	V	86.3	Confident	85.9	Confident	12 Å²	12	30.3 Å²	30.3	7%	0.073	17%	0.169	C	C	.	.	H	α-helix	trans	-68.2	-38.8	173.9	175.9	0	0	0	0	111	L75 I76 M81 C83 L85 V88 W107	L75-V79 HydrophobicContact CD1-CG2 3.78Å; L75-V79 WeakPolarHBondContact O-CB 3.34Å; L75-V79 WeakPolarHBondContact O-CG2 3.47Å; L75-V79 PolarHBondContact O-N 3.45Å; I76-V79 PolarHBondContact O-N 3.25Å; V79-M81 VanDerWaalsContact C-N 3.32Å; V79-M81 PolarHBondContact O-N 3.4Å; V79-C83 WeakPolarHBondContact O-CA 3.4Å; V79-C83 PolarHBondContact O-N 3.32Å; V79-L85 HydrophobicContact CG2-CD2 3.64Å; V79-L85 HydrophobicContact CG2-CG 4.48Å; V79-V88 HydrophobicContact CG2-CG2 3.89Å; V79-W107 HydrophobicContact CB-CD2 4.43Å; V79-W107 HydrophobicContact CB-CE3 4.39Å; V79-W107 HydrophobicContact CB-CH2 4.09Å; V79-W107 HydrophobicContact CB-CZ2 4.13Å; V79-W107 HydrophobicContact CB-CZ3 4.23Å; V79-W107 HydrophobicContact CG1-CD2 4.11Å; V79-W107 HydrophobicContact CG1-CE3 4.49Å; V79-W107 HydrophobicContact CG1-CH2 3.88Å; V79-W107 HydrophobicContact CG1-CZ2 3.42Å; V79-W107 VanDerWaalsContact CG1-CZ2 3.42Å; V79-W107 HydrophobicContact CG1-CZ3 4.4Å; V79-W107 HydrophobicContact CG2-CD2 4.26Å; V79-W107 HydrophobicContact CG2-CE3 4.3Å
80	V	84.2	Confident	85.2	Confident	85 Å²	85	32.2 Å²	32.2	52%	0.515	17%	0.174	S	C	.	.	H	α-helix	trans	-62.5	-40.8	174.3	172	0	0	0	0	111.1	I76 N77	I76-V80 VanDerWaalsContact O-CG2 3.22Å; I76-V80 WeakPolarHBondContact O-CG2 3.3Å; I76-V80 PolarHBondContact O-N 2.96Å; N77-V80 PolarHBondContact O-N 3.49Å
81	M	76.6	Confident	84.5	Confident	66 Å²	66	34.9 Å²	34.9	33%	0.325	19%	0.189	S	C	.	.	H	α-helix	trans	-70.8	-48.4	-179.7	-70.4	-55.7	114.1	0	0	113.1	N77 S78 V79 I139 Y188	N77-M81 VanDerWaalsContact O-CG 3.27Å; N77-M81 WeakPolarHBondContact O-CG 3.23Å; N77-M81 PolarHBondContact O-N 3.46Å; S78-M81 PolarHBondContact O-N 3.32Å; V79-M81 VanDerWaalsContact C-N 3.32Å; V79-M81 PolarHBondContact O-N 3.4Å; M81-I139 HydrophobicContact CB-CG2 4.47Å; M81-I139 HydrophobicContact CG-CG2 3.78Å; M81-Y188 HydrophobicContact CE-CE2 4.44Å; M81-Y188 WeakPolarHBondContact CE-OH 3.39Å; M81-Y188 HydrophobicContact CG-CE2 4.03Å; M81-Y188 VanDerWaalsContact CG-OH 3.3Å; M81-Y188 WeakPolarHBondContact CG-OH 3.4Å; M81-Y188 HydrophobicContact SD-CE2 3.93Å
82	V	72.9	Confident	84.1	Confident	30 Å²	30	34.9 Å²	34.9	18%	0.182	19%	0.189	C	C	.	.	H	α-helix	trans	-96.3	-21.9	-169.6	-170.9	0	0	0	0	112.3	S78 N84 E87 P140	S78-V82 WeakPolarHBondContact O-CB 3.4Å; S78-V82 WeakPolarHBondContact O-CG2 3.42Å; S78-V82 PolarHBondContact O-N 3.47Å; V82-N84 HydrophobicContact CG1-CB 4.1Å; V82-N84 PolarHBondContact O-N 3.45Å; V82-N84 VanDerWaalsContact O-N 3.08Å; V82-E87 HydrophobicContact CG1-CB 3.61Å; V82-E87 HydrophobicContact CG1-CG 3.57Å; V82-P140 HydrophobicContact CG2-CB 3.6Å; V82-P140 HydrophobicContact CG2-CG 3.78Å
83	C	76.7	Confident	83.5	Confident	108 Å²	108	35.9 Å²	35.9	73%	0.73	19%	0.192	S	C	*	.			trans	52.5	27.7	-175.2	-68	0	0	0	0	113.6	V79	V79-C83 WeakPolarHBondContact O-CA 3.4Å; V79-C83 PolarHBondContact O-N 3.32Å
84	N	77.2	Confident	83.3	Confident	16 Å²	16	35 Å²	35	9%	0.086	19%	0.189	C	C	.	.			trans	-148.2	107.8	-177.5	-172.1	-15.8	0	0	0	111.8	V82 T86 E87 V88 R437	V82-N84 HydrophobicContact CG1-CB 4.1Å; V82-N84 PolarHBondContact O-N 3.45Å; V82-N84 VanDerWaalsContact O-N 3.08Å; N84-T86 VanDerWaalsContact C-N 3.35Å; N84-T86 PolarHBondContact O-N 3.36Å; N84-T86 WeakPolarHBondContact OD1-CB 3.5Å; N84-T86 PolarHBondContact OD1-N 2.94Å; N84-E87 HydrophobicContact CB-CB 3.99Å; N84-E87 WeakPolarHBondContact O-CB 3.31Å; N84-E87 PolarHBondContact O-N 3.08Å; N84-E87 VanDerWaalsContact O-N 3.09Å; N84-V88 WeakPolarHBondContact O-CG2 3.05Å; N84-V88 PolarHBondContact O-N 2.9Å; N84-V88 VanDerWaalsContact O-N 3.09Å; N84-R437 PolarHBondContact ND2-NH2 3.5Å
85	L	82.6	Confident	83	Confident	37 Å²	37	36.2 Å²	36.2	19%	0.194	20%	0.199	C	C	.	.	H	α-helix	trans	-61.2	-38.3	-178.4	-76.4	165.2	0	0	0	113.6	L75 V79 E87 V88 Y89 I103 E104 W107	L75-L85 HydrophobicContact CD1-CD2 4.38Å; V79-L85 HydrophobicContact CG2-CD2 3.64Å; V79-L85 HydrophobicContact CG2-CG 4.48Å; L85-E87 PolarHBondContact O-N 3.31Å; L85-V88 WeakPolarHBondContact O-CB 3.36Å; L85-V88 PolarHBondContact O-N 3.49Å; L85-Y89 PolarHBondContact O-N 3.23Å; L85-I103 HydrophobicContact CD2-CG2 4Å; L85-E104 HydrophobicContact CD1-CB 4.25Å; L85-E104 HydrophobicContact CD1-CG 4.06Å; L85-W107 HydrophobicContact CD1-CG 4.44Å; L85-W107 HydrophobicContact CD2-CB 3.91Å; L85-W107 HydrophobicContact CD2-CG 3.94Å
86	T	80.6	Confident	82.6	Confident	7 Å²	7	38 Å²	38	4%	0.043	21%	0.21	C	C	.	.	H	α-helix	trans	-59.9	-38.3	176.1	-56	0	0	0	0	110.8	N84 Y89 H90 E100	N84-T86 VanDerWaalsContact C-N 3.35Å; N84-T86 PolarHBondContact O-N 3.36Å; N84-T86 WeakPolarHBondContact OD1-CB 3.5Å; N84-T86 PolarHBondContact OD1-N 2.94Å; T86-Y89 PolarHBondContact O-N 3.21Å; T86-H90 PolarHBondContact O-CD2 3Å; T86-H90 PolarHBondContact O-N 3.4Å; T86-E100 WeakPolarHBondContact CA-OE1 3.32Å; T86-E100 VanDerWaalsContact CB-OE1 3.27Å; T86-E100 WeakPolarHBondContact CB-OE1 3.35Å; T86-E100 PolarHBondContact OG1-OE1 2.91Å
87	E	73.9	Confident	82.3	Confident	51 Å²	51	38.6 Å²	38.6	24%	0.238	21%	0.212	C	C	.	.	H	α-helix	trans	-71.9	-39.7	179	-163.5	158.7	156.9	0	0	111.5	V82 N84 L85 Y89 H90 T91 R437	V82-E87 HydrophobicContact CG1-CB 3.61Å; V82-E87 HydrophobicContact CG1-CG 3.57Å; N84-E87 HydrophobicContact CB-CB 3.99Å; N84-E87 WeakPolarHBondContact O-CB 3.31Å; N84-E87 PolarHBondContact O-N 3.08Å; N84-E87 VanDerWaalsContact O-N 3.09Å; L85-E87 PolarHBondContact O-N 3.31Å; E87-Y89 VanDerWaalsContact C-N 3.34Å; E87-Y89 PolarHBondContact O-N 2.95Å; E87-H90 PolarHBondContact O-N 2.73Å; E87-T91 HydrophobicContact CG-CG2 4.11Å; E87-T91 WeakPolarHBondContact O-CB 3.44Å; E87-T91 WeakPolarHBondContact O-CG2 3.5Å; E87-T91 PolarHBondContact O-N 3.26Å; E87-T91 PolarHBondContact O-OG1 2.97Å; E87-R437 IonicContact OE2-CZ 3.67Å; E87-R437 VanDerWaalsContact OE2-CZ 3.27Å; E87-R437 IonicContact OE2-NE 2.93Å; E87-R437 PolarHBondContact OE2-NE 3Å; E87-R437 IonicContact OE2-NH2 3.62Å; E87-R437 PolarHBondContact OE2-NH2 3.45Å
88	V	80.5	Confident	82.2	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-57.8	-46.6	172	174.2	0	0	0	0	110.7	L75 V79 N84 L85 H90 T91 V92 F94	L75-V88 HydrophobicContact CD1-CG1 4.06Å; V79-V88 HydrophobicContact CG2-CG2 3.89Å; N84-V88 WeakPolarHBondContact O-CG2 3.05Å; N84-V88 PolarHBondContact O-N 2.9Å; N84-V88 VanDerWaalsContact O-N 3.09Å; L85-V88 WeakPolarHBondContact O-CB 3.36Å; L85-V88 PolarHBondContact O-N 3.49Å; V88-H90 VanDerWaalsContact C-N 3.3Å; V88-H90 PolarHBondContact O-N 3.4Å; V88-T91 PolarHBondContact O-N 2.85Å; V88-V92 HydrophobicContact CB-CG2 4.5Å; V88-V92 HydrophobicContact CG1-CB 4.18Å; V88-V92 HydrophobicContact CG1-CG2 3.91Å; V88-V92 VanDerWaalsContact O-CB 3.31Å; V88-V92 WeakPolarHBondContact O-CB 3.16Å; V88-V92 PolarHBondContact O-N 3.08Å; V88-F94 HydrophobicContact CG1-CZ 4.03Å
89	Y	85.3	Confident	82.2	Confident	51 Å²	51	40 Å²	40	20%	0.2	22%	0.221	C	C	.	.	H	α-helix	trans	-55.9	-40.8	176.3	168.3	-114	0	0	0	113.3	L85 T86 E87 F98 E100 I103	L85-Y89 PolarHBondContact O-N 3.23Å; T86-Y89 PolarHBondContact O-N 3.21Å; E87-Y89 VanDerWaalsContact C-N 3.34Å; E87-Y89 PolarHBondContact O-N 2.95Å; Y89-F98 VanDerWaalsContact CE2-O 3.26Å; Y89-F98 WeakPolarHBondContact CE2-O 3.35Å; Y89-E100 HydrophobicContact CD1-CB 4.18Å; Y89-E100 HydrophobicContact CD2-CB 4.39Å; Y89-E100 HydrophobicContact CE1-CB 4.46Å; Y89-E100 HydrophobicContact CG-CB 4.13Å; Y89-I103 HydrophobicContact CD2-CD1 3.57Å; Y89-I103 HydrophobicContact CG-CD1 4.17Å
90	H	77.8	Confident	82.3	Confident	87 Å²	87	42.5 Å²	42.5	40%	0.403	23%	0.232	S	C	.	.	H	α-helix	trans	-83.2	-27.7	-179.1	-68.3	-56	0	0	0	114	T86 E87 V88 R93	T86-H90 PolarHBondContact O-CD2 3Å; T86-H90 PolarHBondContact O-N 3.4Å; E87-H90 PolarHBondContact O-N 2.73Å; V88-H90 VanDerWaalsContact C-N 3.3Å; V88-H90 PolarHBondContact O-N 3.4Å; H90-R93 PolarHBondContact O-NH2 2.92Å
91	T	77.7	Confident	82.6	Confident	65 Å²	65	46.1 Å²	46.1	40%	0.399	24%	0.244	S	C	.	.	H	α-helix	trans	-100.8	-34.9	-171	56.6	0	0	0	0	113.3	E87 V88	E87-T91 HydrophobicContact CG-CG2 4.11Å; E87-T91 WeakPolarHBondContact O-CB 3.44Å; E87-T91 WeakPolarHBondContact O-CG2 3.5Å; E87-T91 PolarHBondContact O-N 3.26Å; E87-T91 PolarHBondContact O-OG1 2.97Å; V88-T91 PolarHBondContact O-N 2.85Å
92	V	85.3	Confident	83.4	Confident	4 Å²	4	46.1 Å²	46.1	2%	0.024	24%	0.243	C	C	.	.			trans	-91.8	143.4	-174.8	-177.1	0	0	0	0	110.2	L74 S78 V88 F94 P140	L74-V92 HydrophobicContact CB-CG1 4.02Å; L74-V92 HydrophobicContact CD1-CG1 4.26Å; S78-V92 WeakPolarHBondContact OG-CG2 3.41Å; V88-V92 HydrophobicContact CB-CG2 4.5Å; V88-V92 HydrophobicContact CG1-CB 4.18Å; V88-V92 HydrophobicContact CG1-CG2 3.91Å; V88-V92 VanDerWaalsContact O-CB 3.31Å; V88-V92 WeakPolarHBondContact O-CB 3.16Å; V88-V92 PolarHBondContact O-N 3.08Å; V92-F94 HydrophobicContact CB-CE2 4.37Å; V92-F94 HydrophobicContact CB-CZ 4.26Å; V92-F94 HydrophobicContact CG1-CD1 4.35Å; V92-F94 HydrophobicContact CG1-CE1 3.92Å; V92-F94 HydrophobicContact CG1-CE2 4.23Å; V92-F94 HydrophobicContact CG1-CZ 3.86Å; V92-P140 HydrophobicContact CG2-CG 4.09Å
93	R	83.6	Confident	84.3	Confident	26 Å²	26	44.8 Å²	44.8	10%	0.098	24%	0.235	C	C	.	.			trans	-116.6	109.9	177.8	-55.6	-64.1	145.1	131.7	-5	108.8	H90 Q138 T563	H90-R93 PolarHBondContact O-NH2 2.92Å; R93-Q138 PolarHBondContact O-OE1 2.97Å; R93-T563 HydrophobicContact CB-CG2 3.55Å
94	F	90.1	Very high	85	Confident	12 Å²	12	43.2 Å²	43.2	5%	0.053	22%	0.217	C	C	.	.			trans	-82.9	173.4	178.1	-60.7	-73.4	0	0	0	110.9	W67 D71 L74 L75 V88 V92 V96 F98 I103 T556	W67-F94 HydrophobicContact CZ3-CD1 4.11Å; W67-F94 HydrophobicContact CZ3-CE1 4.13Å; D71-F94 HydrophobicContact CB-CD1 3.89Å; D71-F94 WeakPolarHBondContact OD1-CA 3.46Å; D71-F94 WeakPolarHBondContact OD1-CB 3.35Å; L74-F94 HydrophobicContact CB-CD1 4.43Å; L74-F94 HydrophobicContact CB-CE1 4.11Å; L75-F94 HydrophobicContact CB-CE1 4.01Å; L75-F94 HydrophobicContact CB-CZ 4.36Å; L75-F94 HydrophobicContact CD1-CZ 4.25Å; V88-F94 HydrophobicContact CG1-CZ 4.03Å; V92-F94 HydrophobicContact CB-CE2 4.37Å; V92-F94 HydrophobicContact CB-CZ 4.26Å; V92-F94 HydrophobicContact CG1-CD1 4.35Å; V92-F94 HydrophobicContact CG1-CE1 3.92Å; V92-F94 HydrophobicContact CG1-CE2 4.23Å; V92-F94 HydrophobicContact CG1-CZ 3.86Å; F94-V96 WeakPolarHBondContact CB-O 3.47Å; F94-V96 PolarHBondContact O-N 3.48Å; F94-F98 HydrophobicContact CB-CD2 3.73Å; F94-F98 HydrophobicContact CB-CE2 3.68Å; F94-F98 AromaticContact CD2-CD2 3.89Å; F94-F98 HydrophobicContact CD2-CD2 3.89Å; F94-F98 AromaticContact CG-CD2 3.83Å; F94-F98 HydrophobicContact CG-CD2 3.83Å; F94-F98 HydrophobicContact CG-CE2 4.1Å; F94-I103 HydrophobicContact CD2-CD1 4.38Å; F94-I103 HydrophobicContact CE2-CD1 3.72Å; F94-I103 HydrophobicContact CE2-CG1 4.13Å; F94-T556 WeakPolarHBondContact O-CG2 3.24Å
95	A	87.3	Confident	85.7	Confident	29 Å²	29	49.4 Å²	49.4	24%	0.24	24%	0.239	C	C	.	.	S	Bend	trans	-62.4	-28.2	176.6	0	0	0	0	0	113	T68 D71 G540	T68-A95 HydrophobicContact CG2-CB 4.12Å; D71-A95 PolarHBondContact OD1-N 2.97Å; A95-G540 PolarHBondContact O-N 2.96Å; A95-G540 VanDerWaalsContact O-N 3.15Å
96	V	85.6	Confident	86.3	Confident	37 Å²	37	49.6 Å²	49.6	22%	0.224	24%	0.237	C	C	.	.	S	Bend	trans	-131.1	151.3	177.2	-174.3	0	0	0	0	108.3	F94 F98 D539	F94-V96 WeakPolarHBondContact CB-O 3.47Å; F94-V96 PolarHBondContact O-N 3.48Å; V96-F98 HydrophobicContact CB-CE1 4.03Å; V96-F98 HydrophobicContact CB-CE2 4.4Å; V96-F98 HydrophobicContact CB-CZ 3.83Å; V96-F98 HydrophobicContact CG1-CE1 4.35Å; V96-F98 HydrophobicContact CG2-CZ 4.49Å; V96-F98 WeakPolarHBondContact O-CD2 3.4Å; V96-F98 PolarHBondContact O-N 3.3Å; V96-D539 HydrophobicContact CG1-CB 4.21Å
97	H	85.3	Confident	86.9	Confident	52 Å²	52	51.5 Å²	51.5	24%	0.241	24%	0.243	C	C	.	.			trans	-66.8	123.3	169.1	179.5	72.1	0	0	0	111.1	F554 T556	H97-F554 HydrophobicContact CB-CB 4.33Å; H97-F554 VanDerWaalsContact CB-O 3.28Å; H97-F554 WeakPolarHBondContact CB-O 3.47Å; H97-T556 PolarHBondContact N-OG1 2.99Å
98	F	88.7	Confident	87.8	Confident	8 Å²	8	54.6 Å²	54.6	4%	0.035	25%	0.253	C	S	.	.			trans	-114.2	138.5	172.4	-60.1	-57.6	0	0	0	110	P66 W67 Y89 F94 V96 E102 I103	P66-F98 HydrophobicContact CB-CE1 3.72Å; P66-F98 HydrophobicContact CB-CZ 4.19Å; P66-F98 WeakPolarHBondContact O-CZ 3.26Å; W67-F98 HydrophobicContact CD2-CE2 4.02Å; W67-F98 HydrophobicContact CD2-CZ 4.04Å; W67-F98 HydrophobicContact CE3-CD2 4.29Å; W67-F98 AromaticContact CE3-CE2 3.8Å; W67-F98 HydrophobicContact CE3-CE2 3.8Å; W67-F98 HydrophobicContact CE3-CZ 4.26Å; W67-F98 HydrophobicContact CH2-CB 4.31Å; W67-F98 AromaticContact CH2-CD2 3.37Å; W67-F98 HydrophobicContact CH2-CD2 3.37Å; W67-F98 AromaticContact CH2-CE2 3.75Å; W67-F98 HydrophobicContact CH2-CE2 3.75Å; W67-F98 AromaticContact CH2-CG 3.82Å; W67-F98 HydrophobicContact CH2-CG 3.82Å; W67-F98 HydrophobicContact CH2-CZ 4.49Å; W67-F98 HydrophobicContact CZ2-CB 4.28Å; W67-F98 HydrophobicContact CZ2-CD1 4.03Å; W67-F98 AromaticContact CZ2-CD2 3.69Å; W67-F98 HydrophobicContact CZ2-CD2 3.69Å; W67-F98 HydrophobicContact CZ2-CE1 4.34Å; W67-F98 AromaticContact CZ2-CE2 3.98Å; W67-F98 HydrophobicContact CZ2-CE2 3.98Å; W67-F98 AromaticContact CZ2-CG 3.71Å; W67-F98 HydrophobicContact CZ2-CG 3.71Å; W67-F98 HydrophobicContact CZ2-CZ 4.3Å; W67-F98 AromaticContact CZ3-CD2 3.71Å; W67-F98 HydrophobicContact CZ3-CD2 3.71Å; W67-F98 AromaticContact CZ3-CE2 3.65Å; W67-F98 HydrophobicContact CZ3-CE2 3.65Å; W67-F98 HydrophobicContact CZ3-CZ 4.48Å; Y89-F98 VanDerWaalsContact CE2-O 3.26Å; Y89-F98 WeakPolarHBondContact CE2-O 3.35Å; F94-F98 HydrophobicContact CB-CD2 3.73Å; F94-F98 HydrophobicContact CB-CE2 3.68Å; F94-F98 AromaticContact CD2-CD2 3.89Å; F94-F98 HydrophobicContact CD2-CD2 3.89Å; F94-F98 AromaticContact CG-CD2 3.83Å; F94-F98 HydrophobicContact CG-CD2 3.83Å; F94-F98 HydrophobicContact CG-CE2 4.1Å; V96-F98 HydrophobicContact CB-CE1 4.03Å; V96-F98 HydrophobicContact CB-CE2 4.4Å; V96-F98 HydrophobicContact CB-CZ 3.83Å; V96-F98 HydrophobicContact CG1-CE1 4.35Å; V96-F98 HydrophobicContact CG2-CZ 4.49Å; V96-F98 WeakPolarHBondContact O-CD2 3.4Å; V96-F98 PolarHBondContact O-N 3.3Å; F98-E102 HydrophobicContact CB-CB 4.23Å; F98-I103 HydrophobicContact CB-CD1 4.25Å; F98-I103 HydrophobicContact CB-CG1 3.71Å
99	T	88.6	Confident	88.3	Confident	57 Å²	57	57.3 Å²	57.3	35%	0.35	27%	0.268	S	S	.	.			trans	-65.8	157.3	170.7	60.3	0	0	0	0	111.1	E101 E102 I103	T99-E101 PolarHBondContact O-N 2.99Å; T99-E102 PolarHBondContact N-OE2 3.49Å; T99-E102 PolarHBondContact O-N 3.3Å; T99-E102 VanDerWaalsContact O-N 3.08Å; T99-E102 WeakPolarHBondContact OG1-CB 3.23Å; T99-E102 VanDerWaalsContact OG1-CD 3.28Å; T99-E102 WeakPolarHBondContact OG1-CG 3.42Å; T99-E102 PolarHBondContact OG1-N 3.5Å; T99-E102 PolarHBondContact OG1-OE2 2.85Å; T99-I103 WeakPolarHBondContact O-CG1 3.38Å; T99-I103 PolarHBondContact O-N 3.14Å
100	E	88.8	Confident	88.7	Confident	65 Å²	65	55.4 Å²	55.4	30%	0.304	26%	0.261	S	S	.	.	H	α-helix	trans	-55.8	-37	175.9	-172.3	174.6	-168	0	0	111.4	T86 Y89 I103 E104	T86-E100 WeakPolarHBondContact CA-OE1 3.32Å; T86-E100 VanDerWaalsContact CB-OE1 3.27Å; T86-E100 WeakPolarHBondContact CB-OE1 3.35Å; T86-E100 PolarHBondContact OG1-OE1 2.91Å; Y89-E100 HydrophobicContact CD1-CB 4.18Å; Y89-E100 HydrophobicContact CD2-CB 4.39Å; Y89-E100 HydrophobicContact CE1-CB 4.46Å; Y89-E100 HydrophobicContact CG-CB 4.13Å; E100-I103 PolarHBondContact O-N 3.03Å; E100-E104 WeakPolarHBondContact O-CB 3.48Å; E100-E104 PolarHBondContact O-N 3.36Å
101	E	90.4	Very high	89.2	Confident	161 Å²	161	55.8 Å²	55.8	75%	0.752	27%	0.265	S	S	*	.	H	α-helix	trans	-66.2	-39.9	176.4	-63.3	-175.6	179	0	0	112.8	T99 E104 R105	T99-E101 PolarHBondContact O-N 2.99Å; E101-E104 PolarHBondContact O-N 2.97Å; E101-R105 WeakPolarHBondContact O-CB 3.36Å; E101-R105 PolarHBondContact O-N 3.19Å
102	E	92.5	Very high	89.8	Confident	65 Å²	65	60 Å²	60	30%	0.304	28%	0.278	S	S	.	.	H	α-helix	trans	-68.3	-39.6	177.2	-76.1	168	138.6	0	0	112.4	F98 T99 R105 R106	F98-E102 HydrophobicContact CB-CB 4.23Å; T99-E102 PolarHBondContact N-OE2 3.49Å; T99-E102 PolarHBondContact O-N 3.3Å; T99-E102 VanDerWaalsContact O-N 3.08Å; T99-E102 WeakPolarHBondContact OG1-CB 3.23Å; T99-E102 VanDerWaalsContact OG1-CD 3.28Å; T99-E102 WeakPolarHBondContact OG1-CG 3.42Å; T99-E102 PolarHBondContact OG1-N 3.5Å; T99-E102 PolarHBondContact OG1-OE2 2.85Å; E102-R105 PolarHBondContact O-N 3.01Å; E102-R106 WeakPolarHBondContact O-CB 3.48Å; E102-R106 PolarHBondContact O-N 3.34Å
103	I	91.1	Very high	90	Very high	2 Å²	2	62.6 Å²	62.6	1%	0.01	29%	0.292	C	S	.	.	H	α-helix	trans	-64	-45.9	174.5	-64	169.7	0	0	0	109.9	W67 L75 L85 Y89 F94 F98 T99 E100 R105 R106 W107	W67-I103 HydrophobicContact CH2-CG1 4.08Å; L75-I103 HydrophobicContact CD1-CG2 3.61Å; L85-I103 HydrophobicContact CD2-CG2 4Å; Y89-I103 HydrophobicContact CD2-CD1 3.57Å; Y89-I103 HydrophobicContact CG-CD1 4.17Å; F94-I103 HydrophobicContact CD2-CD1 4.38Å; F94-I103 HydrophobicContact CE2-CD1 3.72Å; F94-I103 HydrophobicContact CE2-CG1 4.13Å; F98-I103 HydrophobicContact CB-CD1 4.25Å; F98-I103 HydrophobicContact CB-CG1 3.71Å; T99-I103 WeakPolarHBondContact O-CG1 3.38Å; T99-I103 PolarHBondContact O-N 3.14Å; E100-I103 PolarHBondContact O-N 3.03Å; I103-R105 PolarHBondContact O-N 3.49Å; I103-R106 PolarHBondContact O-N 3Å; I103-W107 WeakPolarHBondContact O-CB 3.32Å; I103-W107 PolarHBondContact O-N 3.45Å
104	E	91.6	Very high	90.5	Very high	75 Å²	75	66.1 Å²	66.1	35%	0.35	32%	0.318	S	S	.	.	H	α-helix	trans	-60	-46.4	176.2	-177.5	-178.6	162.5	0	0	111.3	L85 E100 E101 W107 R108	L85-E104 HydrophobicContact CD1-CB 4.25Å; L85-E104 HydrophobicContact CD1-CG 4.06Å; E100-E104 WeakPolarHBondContact O-CB 3.48Å; E100-E104 PolarHBondContact O-N 3.36Å; E101-E104 PolarHBondContact O-N 2.97Å; E104-W107 PolarHBondContact O-N 3.5Å; E104-R108 WeakPolarHBondContact O-CG 3.41Å; E104-R108 PolarHBondContact O-N 3.23Å; E104-R108 IonicContact OE1-CZ 2.66Å; E104-R108 VanDerWaalsContact OE1-CZ 3.25Å; E104-R108 IonicContact OE1-NE 3.93Å; E104-R108 PolarHBondContact OE1-NE 2.91Å; E104-R108 IonicContact OE1-NH2 3.14Å; E104-R108 PolarHBondContact OE1-NH2 3.15Å
105	R	93	Very high	90.5	Very high	146 Å²	146	71.5 Å²	71.5	55%	0.551	35%	0.346	S	S	*	.	H	α-helix	trans	-59.9	-48.1	177.4	-178.7	176.6	60.7	177.2	-4	111.1	E101 E102 I103 W107 R108 D109	E101-R105 WeakPolarHBondContact O-CB 3.36Å; E101-R105 PolarHBondContact O-N 3.19Å; E102-R105 PolarHBondContact O-N 3.01Å; I103-R105 PolarHBondContact O-N 3.49Å; R105-W107 VanDerWaalsContact C-N 3.31Å; R105-W107 PolarHBondContact O-N 2.93Å; R105-R108 WeakPolarHBondContact O-CB 3.45Å; R105-R108 PolarHBondContact O-N 3.24Å; R105-R108 VanDerWaalsContact O-N 3.13Å; R105-D109 PolarHBondContact O-N 3.03Å
106	R	94.7	Very high	90.7	Very high	41 Å²	41	71.7 Å²	71.7	16%	0.155	34%	0.344	C	S	.	.	H	α-helix	trans	-60.8	-42	178.6	-176.8	62.8	172.8	178.7	-1.1	111.7	W67 D72 L75 E102 I103 R108 D109 L110	W67-R106 HydrophobicContact CD2-CB 4.16Å; W67-R106 HydrophobicContact CD2-CG 3.54Å; W67-R106 VanDerWaalsContact CE2-CG 3.46Å; W67-R106 HydrophobicContact CE3-CG 3.86Å; W67-R106 HydrophobicContact CG-CG 4.02Å; W67-R106 HydrophobicContact CH2-CB 3.97Å; W67-R106 HydrophobicContact CH2-CG 4.07Å; W67-R106 HydrophobicContact CZ2-CB 3.42Å; W67-R106 VanDerWaalsContact CZ2-CB 3.42Å; W67-R106 HydrophobicContact CZ2-CG 3.75Å; W67-R106 HydrophobicContact CZ3-CG 4.12Å; D72-R106 VanDerWaalsContact CG-NH2 3.32Å; D72-R106 IonicContact OD1-CZ 2.78Å; D72-R106 IonicContact OD1-NE 3Å; D72-R106 PolarHBondContact OD1-NE 3.32Å; D72-R106 IonicContact OD1-NH2 2.9Å; D72-R106 PolarHBondContact OD1-NH2 3.39Å; D72-R106 IonicContact OD2-CZ 2.74Å; D72-R106 IonicContact OD2-NE 3.27Å; D72-R106 IonicContact OD2-NH2 2.95Å; D72-R106 PolarHBondContact OD2-NH2 3.26Å; L75-R106 HydrophobicContact CD2-CB 4.07Å; L75-R106 HydrophobicContact CD2-CG 3.76Å; E102-R106 WeakPolarHBondContact O-CB 3.48Å; E102-R106 PolarHBondContact O-N 3.34Å; I103-R106 PolarHBondContact O-N 3Å; R106-R108 VanDerWaalsContact C-N 3.32Å; R106-R108 PolarHBondContact O-N 2.9Å; R106-D109 PolarHBondContact O-N 2.94Å; R106-L110 HydrophobicContact CG-CD1 4.22Å; R106-L110 WeakPolarHBondContact O-CG 3.3Å; R106-L110 PolarHBondContact O-N 3.5Å
107	W	93.5	Very high	91	Very high	47 Å²	47	71.5 Å²	71.5	18%	0.178	35%	0.345	C	S	.	.	H	α-helix	trans	-61.2	-41.2	175.7	-179.6	-116.3	0	0	0	112.1	L75 I76 V79 L85 I103 E104 R105 L110 L111	L75-W107 HydrophobicContact CD2-CB 4.41Å; L75-W107 HydrophobicContact CG-CE3 4.25Å; I76-W107 HydrophobicContact CB-CZ3 4.43Å; I76-W107 HydrophobicContact CG1-CZ3 4.07Å; V79-W107 HydrophobicContact CB-CD2 4.43Å; V79-W107 HydrophobicContact CB-CE3 4.39Å; V79-W107 HydrophobicContact CB-CH2 4.09Å; V79-W107 HydrophobicContact CB-CZ2 4.13Å; V79-W107 HydrophobicContact CB-CZ3 4.23Å; V79-W107 HydrophobicContact CG1-CD2 4.11Å; V79-W107 HydrophobicContact CG1-CE3 4.49Å; V79-W107 HydrophobicContact CG1-CH2 3.88Å; V79-W107 HydrophobicContact CG1-CZ2 3.42Å; V79-W107 VanDerWaalsContact CG1-CZ2 3.42Å; V79-W107 HydrophobicContact CG1-CZ3 4.4Å; V79-W107 HydrophobicContact CG2-CD2 4.26Å; V79-W107 HydrophobicContact CG2-CE3 4.3Å; L85-W107 HydrophobicContact CD1-CG 4.44Å; L85-W107 HydrophobicContact CD2-CB 3.91Å; L85-W107 HydrophobicContact CD2-CG 3.94Å; I103-W107 WeakPolarHBondContact O-CB 3.32Å; I103-W107 PolarHBondContact O-N 3.45Å; E104-W107 PolarHBondContact O-N 3.5Å; R105-W107 VanDerWaalsContact C-N 3.31Å; R105-W107 PolarHBondContact O-N 2.93Å; W107-L110 HydrophobicContact CE3-CD1 4.5Å; W107-L110 PolarHBondContact O-N 3.44Å; W107-L111 HydrophobicContact CD2-CD1 4.27Å; W107-L111 HydrophobicContact CD2-CG 4.31Å; W107-L111 HydrophobicContact CG-CD1 4.45Å; W107-L111 HydrophobicContact CH2-CD2 4.15Å; W107-L111 HydrophobicContact CZ2-CD1 3.9Å; W107-L111 HydrophobicContact CZ2-CD2 3.88Å; W107-L111 HydrophobicContact CZ2-CG 4.03Å; W107-L111 VanDerWaalsContact NE1-CD1 3.34Å; W107-L111 WeakPolarHBondContact O-CG 3.43Å; W107-L111 PolarHBondContact O-N 2.87Å; W107-L111 VanDerWaalsContact O-N 3.12Å
108	R	91.7	Very high	91.4	Very high	116 Å²	116	71.4 Å²	71.4	44%	0.438	35%	0.35	S	S	.	.	H	α-helix	trans	-62.4	-43	173.8	-71.2	174.3	-179.1	-79.7	0.4	111.8	E104 R105 R106 L111 F112	E104-R108 WeakPolarHBondContact O-CG 3.41Å; E104-R108 PolarHBondContact O-N 3.23Å; E104-R108 IonicContact OE1-CZ 2.66Å; E104-R108 VanDerWaalsContact OE1-CZ 3.25Å; E104-R108 IonicContact OE1-NE 3.93Å; E104-R108 PolarHBondContact OE1-NE 2.91Å; E104-R108 IonicContact OE1-NH2 3.14Å; E104-R108 PolarHBondContact OE1-NH2 3.15Å; R105-R108 WeakPolarHBondContact O-CB 3.45Å; R105-R108 PolarHBondContact O-N 3.24Å; R105-R108 VanDerWaalsContact O-N 3.13Å; R106-R108 VanDerWaalsContact C-N 3.32Å; R106-R108 PolarHBondContact O-N 2.9Å; R108-L111 PolarHBondContact O-N 3.08Å; R108-F112 HydrophobicContact CB-CD2 4.19Å; R108-F112 HydrophobicContact CG-CE2 4.45Å; R108-F112 WeakPolarHBondContact O-CB 3.45Å; R108-F112 VanDerWaalsContact O-CD2 3.23Å; R108-F112 WeakPolarHBondContact O-CD2 3.39Å; R108-F112 PolarHBondContact O-N 3.48Å
109	D	92.4	Very high	91.6	Very high	58 Å²	58	75.2 Å²	75.2	31%	0.31	37%	0.374	S	S	.	.	H	α-helix	trans	-62.7	-43.4	177.5	-62.5	-21.5	0	0	0	111.2	R105 R106 L111 D113 V116	R105-D109 PolarHBondContact O-N 3.03Å; R106-D109 PolarHBondContact O-N 2.94Å; D109-L111 VanDerWaalsContact C-N 3.26Å; D109-L111 PolarHBondContact O-N 3.26Å; D109-D113 WeakPolarHBondContact O-CA 3.36Å; D109-D113 WeakPolarHBondContact O-CB 3.37Å; D109-D113 PolarHBondContact O-N 2.89Å; D109-V116 HydrophobicContact CB-CB 4.46Å; D109-V116 HydrophobicContact CB-CG1 4.05Å
110	L	92.5	Very high	91.9	Very high	11 Å²	11	72.7 Å²	72.7	6%	0.058	36%	0.359	C	S	.	.	H	α-helix	trans	-63.7	-29.2	177	-71.1	171	0	0	0	113.5	L75 I76 R106 W107 V116 S117 A120	L75-L110 HydrophobicContact CD2-CD1 3.95Å; I76-L110 HydrophobicContact CD1-CD1 4.37Å; I76-L110 HydrophobicContact CG1-CD1 4.07Å; R106-L110 HydrophobicContact CG-CD1 4.22Å; R106-L110 WeakPolarHBondContact O-CG 3.3Å; R106-L110 PolarHBondContact O-N 3.5Å; W107-L110 HydrophobicContact CE3-CD1 4.5Å; W107-L110 PolarHBondContact O-N 3.44Å; L110-V116 HydrophobicContact CD2-CG1 4.3Å; L110-S117 WeakPolarHBondContact O-CB 3.41Å; L110-S117 PolarHBondContact O-OG 3.32Å; L110-A120 HydrophobicContact CD2-CB 3.48Å; L110-A120 VanDerWaalsContact CD2-CB 3.48Å
111	L	89.2	Confident	92.1	Very high	94 Å²	94	74.1 Å²	74.1	49%	0.492	37%	0.368	S	S	.	.	H	α-helix	trans	-86.1	-39.3	178.8	-73.6	179.7	0	0	0	113.9	W107 R108 D109	W107-L111 HydrophobicContact CD2-CD1 4.27Å; W107-L111 HydrophobicContact CD2-CG 4.31Å; W107-L111 HydrophobicContact CG-CD1 4.45Å; W107-L111 HydrophobicContact CH2-CD2 4.15Å; W107-L111 HydrophobicContact CZ2-CD1 3.9Å; W107-L111 HydrophobicContact CZ2-CD2 3.88Å; W107-L111 HydrophobicContact CZ2-CG 4.03Å; W107-L111 VanDerWaalsContact NE1-CD1 3.34Å; W107-L111 WeakPolarHBondContact O-CG 3.43Å; W107-L111 PolarHBondContact O-N 2.87Å; W107-L111 VanDerWaalsContact O-N 3.12Å; R108-L111 PolarHBondContact O-N 3.08Å; D109-L111 VanDerWaalsContact C-N 3.26Å; D109-L111 PolarHBondContact O-N 3.26Å
112	F	89.7	Confident	92.3	Very high	153 Å²	153	72.5 Å²	72.5	67%	0.671	36%	0.358	S	S	*	.	H	α-helix	trans	-113.9	-23.4	-166.2	-59.3	-61.4	0	0	0	114.4	R108 P114	R108-F112 HydrophobicContact CB-CD2 4.19Å; R108-F112 HydrophobicContact CG-CE2 4.45Å; R108-F112 WeakPolarHBondContact O-CB 3.45Å; R108-F112 VanDerWaalsContact O-CD2 3.23Å; R108-F112 WeakPolarHBondContact O-CD2 3.39Å; R108-F112 PolarHBondContact O-N 3.48Å; F112-P114 WeakPolarHBondContact O-CD 3.42Å
113	D	90.3	Very high	92.4	Very high	59 Å²	59	70.7 Å²	70.7	32%	0.316	36%	0.355	S	S	.	.			trans	-92.7	108.3	175.4	-174.6	-26.5	0	0	0	109.8	D109 I115 V116 S117	D109-D113 WeakPolarHBondContact O-CA 3.36Å; D109-D113 WeakPolarHBondContact O-CB 3.37Å; D109-D113 PolarHBondContact O-N 2.89Å; D113-I115 PolarHBondContact O-N 2.92Å; D113-I115 WeakPolarHBondContact OD1-CA 3.35Å; D113-I115 WeakPolarHBondContact OD1-CB 3.38Å; D113-I115 PolarHBondContact OD1-N 3.48Å; D113-V116 HydrophobicContact CB-CB 3.99Å; D113-V116 HydrophobicContact CB-CG2 4.01Å; D113-V116 PolarHBondContact O-N 3.22Å; D113-V116 PolarHBondContact OD1-N 3.24Å; D113-V116 WeakPolarHBondContact OD2-CG2 3.19Å; D113-S117 VanDerWaalsContact O-CB 3.24Å; D113-S117 WeakPolarHBondContact O-CB 3.42Å; D113-S117 PolarHBondContact O-N 2.99Å
114	P	92.6	Very high	92.5	Very high	100 Å²	100	71.4 Å²	71.4	65%	0.649	36%	0.359	S	S	*	.	H	α-helix	trans	-64.9	-26.8	-177.3	27	-34.7	0	0	0	113	F112 S118	F112-P114 WeakPolarHBondContact O-CD 3.42Å; P114-S118 WeakPolarHBondContact O-CB 3.27Å; P114-S118 PolarHBondContact O-N 3.33Å
115	I	91.6	Very high	92.6	Very high	125 Å²	125	74.9 Å²	74.9	64%	0.641	38%	0.375	S	S	*	.	H	α-helix	trans	-74.8	-47.8	179.5	-59	175.5	0	0	0	109.2	D113 T119	D113-I115 PolarHBondContact O-N 2.92Å; D113-I115 WeakPolarHBondContact OD1-CA 3.35Å; D113-I115 WeakPolarHBondContact OD1-CB 3.38Å; D113-I115 PolarHBondContact OD1-N 3.48Å; I115-T119 VanDerWaalsContact O-CB 3.27Å; I115-T119 WeakPolarHBondContact O-CB 3.49Å; I115-T119 PolarHBondContact O-N 3.39Å; I115-T119 PolarHBondContact O-OG1 2.9Å
116	V	90.7	Very high	92.7	Very high	33 Å²	33	75.7 Å²	75.7	20%	0.2	39%	0.385	C	S	.	.	H	α-helix	trans	-63.1	-48.9	177.5	175.8	0	0	0	0	110.2	D109 L110 D113 S118 T119 A120	D109-V116 HydrophobicContact CB-CB 4.46Å; D109-V116 HydrophobicContact CB-CG1 4.05Å; L110-V116 HydrophobicContact CD2-CG1 4.3Å; D113-V116 HydrophobicContact CB-CB 3.99Å; D113-V116 HydrophobicContact CB-CG2 4.01Å; D113-V116 PolarHBondContact O-N 3.22Å; D113-V116 PolarHBondContact OD1-N 3.24Å; D113-V116 WeakPolarHBondContact OD2-CG2 3.19Å; V116-S118 PolarHBondContact O-N 2.86Å; V116-T119 PolarHBondContact O-N 3.15Å; V116-A120 VanDerWaalsContact O-CB 3.31Å; V116-A120 WeakPolarHBondContact O-CB 3.5Å; V116-A120 PolarHBondContact O-N 3.47Å
117	S	91.4	Very high	92.6	Very high	34 Å²	34	74.8 Å²	74.8	24%	0.238	38%	0.383	C	S	.	.	H	α-helix	trans	-57.3	-49.9	178.7	-166.3	0	0	0	0	112	L110 D113 T119 A120 L121	L110-S117 WeakPolarHBondContact O-CB 3.41Å; L110-S117 PolarHBondContact O-OG 3.32Å; D113-S117 VanDerWaalsContact O-CB 3.24Å; D113-S117 WeakPolarHBondContact O-CB 3.42Å; D113-S117 PolarHBondContact O-N 2.99Å; S117-T119 PolarHBondContact O-N 2.93Å; S117-A120 PolarHBondContact O-N 2.99Å; S117-L121 WeakPolarHBondContact O-CB 3.24Å; S117-L121 VanDerWaalsContact O-CG 3.28Å; S117-L121 WeakPolarHBondContact O-CG 3.39Å; S117-L121 PolarHBondContact O-N 3.29Å
118	S	94.4	Very high	92.5	Very high	50 Å²	50	75.4 Å²	75.4	35%	0.35	39%	0.393	S	S	.	.	H	α-helix	trans	-64.4	-39.3	178.7	-173.1	0	0	0	0	112.7	P114 V116 K122	P114-S118 WeakPolarHBondContact O-CB 3.27Å; P114-S118 PolarHBondContact O-N 3.33Å; V116-S118 PolarHBondContact O-N 2.86Å; S118-K122 WeakPolarHBondContact O-CB 3.46Å; S118-K122 VanDerWaalsContact O-CG 3.27Å; S118-K122 WeakPolarHBondContact O-CG 3.33Å; S118-K122 PolarHBondContact O-N 3.24Å; S118-K122 VanDerWaalsContact O-N 3.12Å
119	T	93.8	Very high	92.4	Very high	88 Å²	88	74.7 Å²	74.7	54%	0.54	41%	0.406	S	S	.	.	H	α-helix	trans	-68.8	-44.7	179.9	-56.3	0	0	0	0	111.3	I115 V116 S117 K122 A123	I115-T119 VanDerWaalsContact O-CB 3.27Å; I115-T119 WeakPolarHBondContact O-CB 3.49Å; I115-T119 PolarHBondContact O-N 3.39Å; I115-T119 PolarHBondContact O-OG1 2.9Å; V116-T119 PolarHBondContact O-N 3.15Å; S117-T119 PolarHBondContact O-N 2.93Å; T119-K122 PolarHBondContact O-N 2.67Å; T119-A123 WeakPolarHBondContact O-CB 3.19Å; T119-A123 PolarHBondContact O-N 2.87Å
120	A	93.1	Very high	92.2	Very high	4 Å²	4	78.1 Å²	78.1	3%	0.033	42%	0.418	C	S	.	.	H	α-helix	trans	-62.6	-47.3	177.5	0	0	0	0	0	111.6	D72 L110 V116 S117 K122 A123 I124	D72-A120 HydrophobicContact CB-CB 4.42Å; D72-A120 WeakPolarHBondContact OD2-CB 3.27Å; L110-A120 HydrophobicContact CD2-CB 3.48Å; L110-A120 VanDerWaalsContact CD2-CB 3.48Å; V116-A120 VanDerWaalsContact O-CB 3.31Å; V116-A120 WeakPolarHBondContact O-CB 3.5Å; V116-A120 PolarHBondContact O-N 3.47Å; S117-A120 PolarHBondContact O-N 2.99Å; A120-K122 PolarHBondContact O-N 2.85Å; A120-A123 PolarHBondContact O-N 3.27Å; A120-A123 VanDerWaalsContact O-N 3.13Å; A120-I124 VanDerWaalsContact O-CG1 3.28Å; A120-I124 WeakPolarHBondContact O-CG1 3.21Å; A120-I124 PolarHBondContact O-N 2.91Å
121	L	94	Very high	92	Very high	94 Å²	94	80.9 Å²	80.9	49%	0.492	43%	0.431	S	S	.	.	H	α-helix	trans	-61.6	-41.9	178.4	-71	173.8	0	0	0	112.5	I76 S117 A123 I124 E125	I76-L121 HydrophobicContact CD1-CD2 4.45Å; S117-L121 WeakPolarHBondContact O-CB 3.24Å; S117-L121 VanDerWaalsContact O-CG 3.28Å; S117-L121 WeakPolarHBondContact O-CG 3.39Å; S117-L121 PolarHBondContact O-N 3.29Å; L121-A123 VanDerWaalsContact C-N 3.32Å; L121-A123 PolarHBondContact O-N 3.03Å; L121-I124 PolarHBondContact O-N 3.22Å; L121-E125 WeakPolarHBondContact O-CB 3.23Å; L121-E125 PolarHBondContact O-N 3.23Å
122	K	94.8	Very high	92	Very high	127 Å²	127	79 Å²	79	55%	0.552	42%	0.42	S	S	*	.	H	α-helix	trans	-62.8	-38.5	174.2	-75.2	173.3	-177.9	172.2	0	112.2	S118 T119 A120 E125 Q126	S118-K122 WeakPolarHBondContact O-CB 3.46Å; S118-K122 VanDerWaalsContact O-CG 3.27Å; S118-K122 WeakPolarHBondContact O-CG 3.33Å; S118-K122 PolarHBondContact O-N 3.24Å; S118-K122 VanDerWaalsContact O-N 3.12Å; T119-K122 PolarHBondContact O-N 2.67Å; A120-K122 PolarHBondContact O-N 2.85Å; K122-E125 PolarHBondContact O-N 3.32Å; K122-Q126 WeakPolarHBondContact O-CG 3.37Å; K122-Q126 PolarHBondContact O-N 3.43Å
123	A	94.1	Very high	91.9	Very high	28 Å²	28	73.9 Å²	73.9	23%	0.231	40%	0.403	C	S	.	.	H	α-helix	trans	-69.8	-39	177.1	0	0	0	0	0	112	P69 T119 A120 L121 E125 Q126 L127	P69-A123 HydrophobicContact CB-CB 3.92Å; P69-A123 HydrophobicContact CG-CB 3.76Å; T119-A123 WeakPolarHBondContact O-CB 3.19Å; T119-A123 PolarHBondContact O-N 2.87Å; A120-A123 PolarHBondContact O-N 3.27Å; A120-A123 VanDerWaalsContact O-N 3.13Å; L121-A123 VanDerWaalsContact C-N 3.32Å; L121-A123 PolarHBondContact O-N 3.03Å; A123-E125 VanDerWaalsContact C-N 3.34Å; A123-Q126 PolarHBondContact O-N 3.01Å; A123-L127 PolarHBondContact O-N 3.02Å
124	I	94.1	Very high	91.6	Very high	17 Å²	17	72.8 Å²	72.8	9%	0.087	40%	0.396	C	S	.	.	H	α-helix	trans	-63.9	-38.6	173.6	-70.5	165.9	0	0	0	111.2	P69 D72 Y73 I76 A120 L121 Q126 L127 K132	P69-I124 WeakPolarHBondContact O-CG1 3.45Å; D72-I124 HydrophobicContact CB-CD1 3.85Å; D72-I124 HydrophobicContact CB-CG1 4.39Å; Y73-I124 HydrophobicContact CD2-CG2 3.73Å; I76-I124 HydrophobicContact CD1-CD1 3.76Å; A120-I124 VanDerWaalsContact O-CG1 3.28Å; A120-I124 WeakPolarHBondContact O-CG1 3.21Å; A120-I124 PolarHBondContact O-N 2.91Å; L121-I124 PolarHBondContact O-N 3.22Å; I124-Q126 PolarHBondContact O-N 3.42Å; I124-L127 WeakPolarHBondContact O-CB 3.48Å; I124-L127 PolarHBondContact O-N 2.88Å; I124-L127 VanDerWaalsContact O-N 3.15Å; I124-K132 WeakPolarHBondContact O-CE 3.35Å; I124-K132 PolarHBondContact O-NZ 2.89Å; I124-K132 VanDerWaalsContact O-NZ 3.07Å
125	E	94.1	Very high	91.5	Very high	148 Å²	148	68.9 Å²	68.9	69%	0.692	37%	0.369	S	S	*	.	H	α-helix	trans	-59.7	-38.5	177	-169.4	176.4	-173.3	0	0	111.3	L121 K122 A123 L127 K132	L121-E125 WeakPolarHBondContact O-CB 3.23Å; L121-E125 PolarHBondContact O-N 3.23Å; K122-E125 PolarHBondContact O-N 3.32Å; A123-E125 VanDerWaalsContact C-N 3.34Å; E125-L127 VanDerWaalsContact C-N 3.28Å; E125-L127 PolarHBondContact O-N 3.28Å; E125-K132 PolarHBondContact O-NZ 3.35Å
126	Q	93.8	Very high	91.4	Very high	162 Å²	162	63 Å²	63	76%	0.757	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-7	178.6	-66.9	175	9.2	0	0	114.7	K122 A123 I124	K122-Q126 WeakPolarHBondContact O-CG 3.37Å; K122-Q126 PolarHBondContact O-N 3.43Å; A123-Q126 PolarHBondContact O-N 3.01Å; I124-Q126 PolarHBondContact O-N 3.42Å
127	L	92.2	Very high	91.2	Very high	23 Å²	23	64.4 Å²	64.4	12%	0.12	34%	0.341	C	S	.	.	S	Bend	trans	-66.1	132.8	177.5	-74.5	174.1	0	0	0	111.4	P69 A123 I124 E125 M131 K132 L135	P69-L127 HydrophobicContact CB-CD1 4.13Å; P69-L127 HydrophobicContact CB-CD2 4.04Å; P69-L127 HydrophobicContact CB-CG 4.08Å; A123-L127 PolarHBondContact O-N 3.02Å; I124-L127 WeakPolarHBondContact O-CB 3.48Å; I124-L127 PolarHBondContact O-N 2.88Å; I124-L127 VanDerWaalsContact O-N 3.15Å; E125-L127 VanDerWaalsContact C-N 3.28Å; E125-L127 PolarHBondContact O-N 3.28Å; L127-M131 HydrophobicContact CD2-SD 3.66Å; L127-K132 HydrophobicContact CB-CG 4.17Å; L127-K132 WeakPolarHBondContact O-CE 3.49Å; L127-L135 HydrophobicContact CD1-CD1 4.38Å
128	P	92.6	Very high	91	Very high	60 Å²	60	64.2 Å²	64.2	39%	0.39	34%	0.336	S	S	.	.			trans	-56.9	145	174.5	-25.2	34.4	0	0	0	112.9	F130 M131 K132	P128-F130 VanDerWaalsContact C-N 3.33Å; P128-F130 HydrophobicContact CB-CD1 3.56Å; P128-F130 HydrophobicContact CB-CE1 3.38Å; P128-F130 HydrophobicContact CB-CZ 4.26Å; P128-F130 HydrophobicContact CG-CE1 3.94Å; P128-F130 PolarHBondContact O-N 3.14Å; P128-M131 HydrophobicContact CB-CB 4.44Å; P128-M131 WeakPolarHBondContact O-CB 3.22Å; P128-M131 PolarHBondContact O-N 3.42Å; P128-K132 PolarHBondContact O-N 2.84Å; P128-K132 VanDerWaalsContact O-N 3.09Å
129	S	89.6	Confident	90.6	Very high	100 Å²	100	62 Å²	62	70%	0.699	32%	0.32	S	S	*	.	H	α-helix	trans	-58	-41.5	-179.1	52.9	0	0	0	0	113.2	M131 K132 S133	S129-M131 PolarHBondContact O-N 3.22Å; S129-K132 PolarHBondContact O-N 3.5Å; S129-S133 PolarHBondContact O-N 2.66Å
130	F	87.4	Confident	90	Very high	130 Å²	130	58.9 Å²	58.9	57%	0.57	30%	0.301	S	S	*	.	H	α-helix	trans	-61	-34.6	177.3	81.3	-95	0	0	0	111.9	P128 Q134	P128-F130 VanDerWaalsContact C-N 3.33Å; P128-F130 HydrophobicContact CB-CD1 3.56Å; P128-F130 HydrophobicContact CB-CE1 3.38Å; P128-F130 HydrophobicContact CB-CZ 4.26Å; P128-F130 HydrophobicContact CG-CE1 3.94Å; P128-F130 PolarHBondContact O-N 3.14Å; F130-Q134 PolarHBondContact O-N 3.12Å; F130-Q134 VanDerWaalsContact O-N 3.08Å
131	M	88	Confident	89.5	Confident	69 Å²	69	60.8 Å²	60.8	34%	0.34	31%	0.309	S	S	.	.	H	α-helix	trans	-72.9	-42.2	178.3	-172.8	175.5	-74.3	0	0	110.5	L127 P128 S129 S133 Q134 L135	L127-M131 HydrophobicContact CD2-SD 3.66Å; P128-M131 HydrophobicContact CB-CB 4.44Å; P128-M131 WeakPolarHBondContact O-CB 3.22Å; P128-M131 PolarHBondContact O-N 3.42Å; S129-M131 PolarHBondContact O-N 3.22Å; M131-S133 VanDerWaalsContact C-N 3.33Å; M131-S133 PolarHBondContact O-N 3.23Å; M131-Q134 WeakPolarHBondContact O-CB 3.35Å; M131-Q134 PolarHBondContact O-N 3.04Å; M131-Q134 VanDerWaalsContact O-N 3.08Å; M131-L135 HydrophobicContact CG-CD1 4.33Å; M131-L135 VanDerWaalsContact O-CG 3.31Å; M131-L135 WeakPolarHBondContact O-CG 3.37Å; M131-L135 PolarHBondContact O-N 3.47Å
132	K	89.5	Confident	88.9	Confident	56 Å²	56	57.2 Å²	57.2	24%	0.243	29%	0.292	C	S	.	.	H	α-helix	trans	-57.6	-46.4	172.6	-67.3	-179.1	-178.6	175	0	111.4	Y73 I124 E125 L127 P128 S129 Q134 L135 D136	Y73-K132 HydrophobicContact CE2-CG 4.37Å; I124-K132 WeakPolarHBondContact O-CE 3.35Å; I124-K132 PolarHBondContact O-NZ 2.89Å; I124-K132 VanDerWaalsContact O-NZ 3.07Å; E125-K132 PolarHBondContact O-NZ 3.35Å; L127-K132 HydrophobicContact CB-CG 4.17Å; L127-K132 WeakPolarHBondContact O-CE 3.49Å; P128-K132 PolarHBondContact O-N 2.84Å; P128-K132 VanDerWaalsContact O-N 3.09Å; S129-K132 PolarHBondContact O-N 3.5Å; K132-Q134 PolarHBondContact O-N 2.9Å; K132-L135 PolarHBondContact O-N 2.98Å; K132-L135 VanDerWaalsContact O-N 3.13Å; K132-D136 WeakPolarHBondContact O-CB 3.45Å; K132-D136 VanDerWaalsContact O-CG 3.29Å; K132-D136 PolarHBondContact O-N 2.72Å
133	S	87.5	Confident	88.1	Confident	45 Å²	45	55.4 Å²	55.4	32%	0.315	30%	0.295	S	S	.	.	H	α-helix	trans	-58.2	-34.4	174.6	-179	0	0	0	0	112.8	S129 M131 G190	S129-S133 PolarHBondContact O-N 2.66Å; M131-S133 VanDerWaalsContact C-N 3.33Å; M131-S133 PolarHBondContact O-N 3.23Å; S133-G190 VanDerWaalsContact O-CA 3.29Å; S133-G190 WeakPolarHBondContact O-CA 3.33Å; S133-G190 WeakPolarHBondContact OG-CA 3.42Å
134	Q	85.4	Confident	87.5	Confident	36 Å²	36	59.8 Å²	59.8	17%	0.168	31%	0.311	C	S	.	.	H	α-helix	trans	-74.5	-39.9	176	-173.7	-169.8	-28.3	0	0	112	F130 M131 K132 D136 R137 H561	F130-Q134 PolarHBondContact O-N 3.12Å; F130-Q134 VanDerWaalsContact O-N 3.08Å; M131-Q134 WeakPolarHBondContact O-CB 3.35Å; M131-Q134 PolarHBondContact O-N 3.04Å; M131-Q134 VanDerWaalsContact O-N 3.08Å; K132-Q134 PolarHBondContact O-N 2.9Å; Q134-D136 VanDerWaalsContact C-N 3.32Å; Q134-R137 PolarHBondContact O-N 3.35Å; Q134-H561 HydrophobicContact CG-CB 4.24Å; Q134-H561 VanDerWaalsContact NE2-CA 3.28Å; Q134-H561 PolarHBondContact NE2-ND1 2.84Å; Q134-H561 PolarHBondContact OE1-CE1 3.11Å; Q134-H561 PolarHBondContact OE1-ND1 2.89Å
135	L	89.7	Confident	87.2	Confident	17 Å²	17	59 Å²	59	9%	0.089	31%	0.307	C	S	.	.	H	α-helix	trans	-66.2	-36.9	177	-64.2	171	0	0	0	111.1	Y73 L74 L127 M131 K132 R137 Q138 I139	Y73-L135 HydrophobicContact CD1-CB 3.63Å; Y73-L135 HydrophobicContact CD1-CD1 3.71Å; Y73-L135 HydrophobicContact CD1-CG 4.31Å; Y73-L135 HydrophobicContact CE1-CB 3.75Å; Y73-L135 HydrophobicContact CE1-CD1 4.42Å; Y73-L135 HydrophobicContact CG-CD1 4.17Å; L74-L135 HydrophobicContact CD1-CD2 3.8Å; L74-L135 HydrophobicContact CD2-CB 3.98Å; L74-L135 HydrophobicContact CD2-CD2 4.2Å; L74-L135 WeakPolarHBondContact CD2-O 3.37Å; L74-L135 HydrophobicContact CG-CB 4.36Å; L74-L135 HydrophobicContact CG-CD2 3.88Å; L127-L135 HydrophobicContact CD1-CD1 4.38Å; M131-L135 HydrophobicContact CG-CD1 4.33Å; M131-L135 VanDerWaalsContact O-CG 3.31Å; M131-L135 WeakPolarHBondContact O-CG 3.37Å; M131-L135 PolarHBondContact O-N 3.47Å; K132-L135 PolarHBondContact O-N 2.98Å; K132-L135 VanDerWaalsContact O-N 3.13Å; L135-R137 PolarHBondContact O-N 2.94Å; L135-R137 VanDerWaalsContact O-N 3.14Å; L135-Q138 WeakPolarHBondContact O-CB 3.39Å; L135-Q138 PolarHBondContact O-N 2.85Å; L135-I139 PolarHBondContact O-N 3.26Å
136	D	89.7	Confident	86.6	Confident	3 Å²	3	53.8 Å²	53.8	2%	0.016	28%	0.284	C	S	.	.	H	α-helix	trans	-50.9	-36.1	174.6	-82.7	4.3	0	0	0	113.3	Y73 K132 Q134 Q138 I139 Y188 T189 G190	Y73-D136 WeakPolarHBondContact CE1-OD1 3.47Å; Y73-D136 PolarHBondContact OH-OD1 2.8Å; K132-D136 WeakPolarHBondContact O-CB 3.45Å; K132-D136 VanDerWaalsContact O-CG 3.29Å; K132-D136 PolarHBondContact O-N 2.72Å; Q134-D136 VanDerWaalsContact C-N 3.32Å; D136-Q138 VanDerWaalsContact C-N 3.27Å; D136-Q138 PolarHBondContact O-N 2.89Å; D136-I139 PolarHBondContact O-N 3.4Å; D136-Y188 HydrophobicContact CB-CD1 4.27Å; D136-Y188 HydrophobicContact CB-CG 4.3Å; D136-T189 PolarHBondContact OD2-OG1 3.2Å; D136-T189 VanDerWaalsContact OD2-OG1 3.08Å; D136-G190 PolarHBondContact OD2-N 2.76Å
137	R	86.9	Confident	85.9	Confident	62 Å²	62	51 Å²	51	23%	0.234	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-17.5	179.8	-59.9	179.7	70.2	177.2	1.1	113.8	Q134 L135 G190 D192 D195	Q134-R137 PolarHBondContact O-N 3.35Å; L135-R137 PolarHBondContact O-N 2.94Å; L135-R137 VanDerWaalsContact O-N 3.14Å; R137-G190 VanDerWaalsContact CD-O 3.23Å; R137-G190 WeakPolarHBondContact CD-O 3.36Å; R137-G190 WeakPolarHBondContact CG-O 3.47Å; R137-D192 IonicContact CZ-OD1 2.74Å; R137-D192 IonicContact CZ-OD2 3.95Å; R137-D192 IonicContact NE-OD2 3.35Å; R137-D192 IonicContact NH1-OD2 2.78Å; R137-D192 PolarHBondContact NH1-OD2 3.29Å; R137-D192 IonicContact NH2-OD1 3.08Å; R137-D192 PolarHBondContact NH2-OD1 2.94Å; R137-D192 IonicContact NH2-OD2 3.5Å; R137-D192 PolarHBondContact NH2-OD2 3.01Å; R137-D195 WeakPolarHBondContact CG-OD2 3.47Å; R137-D195 IonicContact CZ-OD1 2.77Å; R137-D195 IonicContact CZ-OD2 2.6Å; R137-D195 IonicContact NE-OD1 2.81Å; R137-D195 PolarHBondContact NE-OD1 3.33Å; R137-D195 IonicContact NE-OD2 3.44Å; R137-D195 PolarHBondContact NE-OD2 2.87Å; R137-D195 IonicContact NH2-OD1 3.82Å; R137-D195 PolarHBondContact NH2-OD1 2.92Å; R137-D195 IonicContact NH2-OD2 3.4Å
138	Q	86	Confident	85.6	Confident	30 Å²	30	50.7 Å²	50.7	14%	0.14	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-11.5	178.2	-59.6	-178.9	51.3	0	0	112.2	L74 R93 L135 D136	L74-Q138 HydrophobicContact CD2-CB 3.9Å; R93-Q138 PolarHBondContact O-OE1 2.97Å; L135-Q138 WeakPolarHBondContact O-CB 3.39Å; L135-Q138 PolarHBondContact O-N 2.85Å; D136-Q138 VanDerWaalsContact C-N 3.27Å; D136-Q138 PolarHBondContact O-N 2.89Å
139	I	86.5	Confident	85.1	Confident	3 Å²	3	47.9 Å²	47.9	2%	0.015	25%	0.254	C	S	.	.	S	Bend	trans	-72.6	131.9	176.7	-58.9	168.8	0	0	0	108.9	Y73 L74 N77 M81 L135 D136 Y188 R191	Y73-I139 HydrophobicContact CE1-CD1 4.17Å; L74-I139 HydrophobicContact CD2-CG1 4.13Å; N77-I139 HydrophobicContact CB-CD1 3.56Å; N77-I139 HydrophobicContact CB-CG1 4.23Å; N77-I139 HydrophobicContact CB-CG2 4.48Å; M81-I139 HydrophobicContact CB-CG2 4.47Å; M81-I139 HydrophobicContact CG-CG2 3.78Å; L135-I139 PolarHBondContact O-N 3.26Å; D136-I139 PolarHBondContact O-N 3.4Å; I139-Y188 HydrophobicContact CB-CE2 4.3Å; I139-Y188 HydrophobicContact CD1-CD1 3.92Å; I139-Y188 HydrophobicContact CD1-CE1 3.51Å; I139-Y188 HydrophobicContact CD1-CE2 4.21Å; I139-Y188 HydrophobicContact CD1-CG 4.42Å; I139-Y188 HydrophobicContact CG2-CE2 3.78Å; I139-R191 PolarHBondContact O-NH2 3.49Å
140	P	82.4	Confident	84.6	Confident	22 Å²	22	44.5 Å²	44.5	14%	0.143	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-53.3	149	177.4	-27.9	36.2	0	0	0	113.5	S78 V82 V92 S142 R191	S78-P140 WeakPolarHBondContact OG-CD 3.28Å; V82-P140 HydrophobicContact CG2-CB 3.6Å; V82-P140 HydrophobicContact CG2-CG 3.78Å; V92-P140 HydrophobicContact CG2-CG 4.09Å; P140-S142 PolarHBondContact O-N 2.99Å; P140-R191 PolarHBondContact O-NH2 3.34Å; P140-R191 VanDerWaalsContact O-NH2 3.13Å
141	F	81.4	Confident	84.4	Confident	45 Å²	45	44.9 Å²	44.9	20%	0.197	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-64.2	133.7	174.2	-73.3	-109.5	0	0	0	110.2	E145 D146 I149 D195 L196 Q199	F141-E145 WeakPolarHBondContact CA-OE2 3.42Å; F141-E145 HydrophobicContact CD1-CB 4.16Å; F141-D146 WeakPolarHBondContact CB-OD1 3.43Å; F141-I149 HydrophobicContact CD1-CD1 3.57Å; F141-I149 HydrophobicContact CE1-CD1 3.44Å; F141-I149 VanDerWaalsContact CE1-CD1 3.44Å; F141-D195 HydrophobicContact CZ-CB 4.45Å; F141-L196 HydrophobicContact CE1-CD1 4.5Å; F141-Q199 HydrophobicContact CD1-CB 4.23Å; F141-Q199 HydrophobicContact CD1-CG 3.72Å; F141-Q199 HydrophobicContact CD2-CG 4.19Å; F141-Q199 HydrophobicContact CE1-CB 3.75Å; F141-Q199 HydrophobicContact CE1-CG 3.79Å; F141-Q199 HydrophobicContact CE2-CB 4.09Å; F141-Q199 HydrophobicContact CE2-CG 4.22Å; F141-Q199 HydrophobicContact CG-CG 3.98Å; F141-Q199 HydrophobicContact CZ-CB 3.68Å; F141-Q199 HydrophobicContact CZ-CG 4.04Å
142	S	82.3	Confident	84.2	Confident	18 Å²	18	41.9 Å²	41.9	13%	0.126	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-75.8	157.4	172	73.4	0	0	0	0	110.3	P140 Q144 E145 D146	P140-S142 PolarHBondContact O-N 2.99Å; S142-Q144 PolarHBondContact O-N 3.18Å; S142-Q144 VanDerWaalsContact O-N 3.14Å; S142-E145 PolarHBondContact N-OE2 3.04Å; S142-E145 PolarHBondContact O-N 2.9Å; S142-E145 VanDerWaalsContact O-N 3.14Å; S142-E145 VanDerWaalsContact OG-CG 3.24Å; S142-E145 WeakPolarHBondContact OG-CG 3.28Å; S142-E145 PolarHBondContact OG-N 3.31Å; S142-E145 PolarHBondContact OG-OE2 2.94Å; S142-D146 WeakPolarHBondContact O-CB 3.46Å; S142-D146 PolarHBondContact O-N 3.13Å
143	S	77.4	Confident	83.7	Confident	90 Å²	90	40.4 Å²	40.4	63%	0.629	22%	0.218	S	C	*	.	H	α-helix	trans	-58.9	-29.4	176.5	-50.8	0	0	0	0	112.8	N147	S143-N147 VanDerWaalsContact O-CB 3.32Å; S143-N147 WeakPolarHBondContact O-CB 3.22Å; S143-N147 PolarHBondContact O-N 3.14Å; S143-N147 PolarHBondContact O-ND2 3.4Å
144	Q	82	Confident	83.3	Confident	120 Å²	120	41 Å²	41	56%	0.561	22%	0.217	S	C	*	.	H	α-helix	trans	-71.9	-43.4	177.4	-170.1	174.9	-6	0	0	111.8	S142 N147 I148 V186	S142-Q144 PolarHBondContact O-N 3.18Å; S142-Q144 VanDerWaalsContact O-N 3.14Å; Q144-N147 PolarHBondContact O-N 2.94Å; Q144-I148 WeakPolarHBondContact O-CG1 3.38Å; Q144-I148 PolarHBondContact O-N 3.34Å; Q144-V186 HydrophobicContact CB-CG1 4.16Å; Q144-V186 HydrophobicContact CG-CG1 3.72Å
145	E	86.4	Confident	82.8	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-61.9	-47.1	174.3	-67.2	168.9	133	0	0	110.5	F141 S142 N147 I148 I149 V186 F187 R191	F141-E145 WeakPolarHBondContact CA-OE2 3.42Å; F141-E145 HydrophobicContact CD1-CB 4.16Å; S142-E145 PolarHBondContact N-OE2 3.04Å; S142-E145 PolarHBondContact O-N 2.9Å; S142-E145 VanDerWaalsContact O-N 3.14Å; S142-E145 VanDerWaalsContact OG-CG 3.24Å; S142-E145 WeakPolarHBondContact OG-CG 3.28Å; S142-E145 PolarHBondContact OG-N 3.31Å; S142-E145 PolarHBondContact OG-OE2 2.94Å; E145-N147 VanDerWaalsContact C-N 3.33Å; E145-N147 PolarHBondContact O-N 2.96Å; E145-I148 PolarHBondContact O-N 3.47Å; E145-I148 VanDerWaalsContact O-N 3.12Å; E145-I149 VanDerWaalsContact O-CG1 3.3Å; E145-I149 WeakPolarHBondContact O-CG1 3.42Å; E145-I149 PolarHBondContact O-N 3.46Å; E145-V186 HydrophobicContact CG-CG1 3.83Å; E145-V186 WeakPolarHBondContact CG-O 3Å; E145-F187 HydrophobicContact CB-CD1 4.06Å; E145-F187 HydrophobicContact CB-CE1 3.62Å; E145-F187 HydrophobicContact CB-CZ 4.3Å; E145-F187 HydrophobicContact CG-CD1 3.59Å; E145-F187 HydrophobicContact CG-CE1 3.66Å; E145-F187 HydrophobicContact CG-CG 4.27Å; E145-F187 HydrophobicContact CG-CZ 4.37Å; E145-F187 VanDerWaalsContact OE1-CA 3.31Å; E145-F187 WeakPolarHBondContact OE1-CA 3.5Å; E145-R191 VanDerWaalsContact CD-CZ 3.44Å; E145-R191 IonicContact OE1-CZ 3.11Å; E145-R191 IonicContact OE1-NE 3.79Å; E145-R191 IonicContact OE1-NH1 3.35Å; E145-R191 PolarHBondContact OE1-NH1 3.14Å; E145-R191 IonicContact OE1-NH2 2.65Å; E145-R191 PolarHBondContact OE1-NH2 3.43Å; E145-R191 IonicContact OE2-CZ 3.93Å; E145-R191 IonicContact OE2-NH1 3.23Å; E145-R191 PolarHBondContact OE2-NH1 3.3Å; E145-R191 IonicContact OE2-NH2 3.99Å; E145-R191 PolarHBondContact OE2-NH2 2.88Å
146	D	81.4	Confident	82.4	Confident	39 Å²	39	46.6 Å²	46.6	21%	0.209	26%	0.255	C	S	.	.	H	α-helix	trans	-58.8	-42.6	177.4	-79.1	-18.5	0	0	0	112	F141 S142 I148 I149 A150 Q199 F203	F141-D146 WeakPolarHBondContact CB-OD1 3.43Å; S142-D146 WeakPolarHBondContact O-CB 3.46Å; S142-D146 PolarHBondContact O-N 3.13Å; D146-I148 VanDerWaalsContact C-N 3.31Å; D146-I148 PolarHBondContact O-N 3.03Å; D146-I149 PolarHBondContact O-N 3.42Å; D146-A150 VanDerWaalsContact O-CB 3.24Å; D146-A150 WeakPolarHBondContact O-CB 3.31Å; D146-A150 PolarHBondContact O-N 2.84Å; D146-Q199 PolarHBondContact OD1-NE2 2.87Å; D146-F203 HydrophobicContact CB-CE2 4Å; D146-F203 HydrophobicContact CB-CZ 3.69Å; D146-F203 VanDerWaalsContact CG-CZ 3.48Å; D146-F203 WeakPolarHBondContact O-CE2 3.36Å; D146-F203 VanDerWaalsContact OD1-CZ 3.29Å; D146-F203 WeakPolarHBondContact OD1-CZ 3.4Å
147	N	79.4	Confident	81.7	Confident	102 Å²	102	47.6 Å²	47.6	55%	0.545	26%	0.261	S	S	.	.	H	α-helix	trans	-63.1	-35	176.7	-76.6	-27.4	0	0	0	113	S143 Q144 E145 Q151	S143-N147 VanDerWaalsContact O-CB 3.32Å; S143-N147 WeakPolarHBondContact O-CB 3.22Å; S143-N147 PolarHBondContact O-N 3.14Å; S143-N147 PolarHBondContact O-ND2 3.4Å; Q144-N147 PolarHBondContact O-N 2.94Å; E145-N147 VanDerWaalsContact C-N 3.33Å; E145-N147 PolarHBondContact O-N 2.96Å; N147-Q151 VanDerWaalsContact O-CG 3.26Å; N147-Q151 WeakPolarHBondContact O-CG 3.35Å; N147-Q151 PolarHBondContact O-NE2 2.86Å
148	I	86.4	Confident	81.1	Confident	18 Å²	18	46.1 Å²	46.1	9%	0.092	26%	0.256	C	S	.	.	H	α-helix	trans	-70.4	-45.2	176	-67.1	167.5	0	0	0	109.8	Q144 E145 D146 A150 Q151 I179 Y183 V186 F187	Q144-I148 WeakPolarHBondContact O-CG1 3.38Å; Q144-I148 PolarHBondContact O-N 3.34Å; E145-I148 PolarHBondContact O-N 3.47Å; E145-I148 VanDerWaalsContact O-N 3.12Å; D146-I148 VanDerWaalsContact C-N 3.31Å; D146-I148 PolarHBondContact O-N 3.03Å; I148-A150 PolarHBondContact O-N 3.13Å; I148-Q151 PolarHBondContact O-N 3.02Å; I148-I179 HydrophobicContact CG2-CG2 3.66Å; I148-Y183 HydrophobicContact CD1-CD1 4.21Å; I148-Y183 HydrophobicContact CD1-CD2 3.93Å; I148-Y183 HydrophobicContact CD1-CE2 4.27Å; I148-Y183 HydrophobicContact CD1-CG 3.87Å; I148-Y183 HydrophobicContact CG2-CD2 4.01Å; I148-Y183 HydrophobicContact CG2-CE2 3.93Å; I148-V186 HydrophobicContact CD1-CB 4.27Å; I148-V186 HydrophobicContact CD1-CG1 3.74Å; I148-V186 HydrophobicContact CD1-CG2 4.32Å; I148-F187 HydrophobicContact CB-CZ 4.35Å; I148-F187 HydrophobicContact CD1-CE2 4.2Å; I148-F187 HydrophobicContact CD1-CZ 4.41Å; I148-F187 HydrophobicContact CG2-CE2 4.39Å; I148-F187 HydrophobicContact CG2-CZ 4.19Å
149	I	82.4	Confident	80.3	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-66.6	-38.8	-178.9	-63.6	166.5	0	0	0	111.2	F141 E145 D146 Q151 I152 F187 L196 Q199 W200 F203	F141-I149 HydrophobicContact CD1-CD1 3.57Å; F141-I149 HydrophobicContact CE1-CD1 3.44Å; F141-I149 VanDerWaalsContact CE1-CD1 3.44Å; E145-I149 VanDerWaalsContact O-CG1 3.3Å; E145-I149 WeakPolarHBondContact O-CG1 3.42Å; E145-I149 PolarHBondContact O-N 3.46Å; D146-I149 PolarHBondContact O-N 3.42Å; I149-Q151 PolarHBondContact O-N 3.33Å; I149-I152 HydrophobicContact CG2-CD1 4.35Å; I149-I152 WeakPolarHBondContact O-CB 3.36Å; I149-I152 WeakPolarHBondContact O-CG1 3.43Å; I149-I152 PolarHBondContact O-N 3.46Å; I149-F187 HydrophobicContact CD1-CE1 4.13Å; I149-F187 HydrophobicContact CG1-CE1 4.38Å; I149-F187 HydrophobicContact CG1-CZ 4.39Å; I149-L196 HydrophobicContact CD1-CG 4.11Å; I149-L196 HydrophobicContact CG1-CG 4.32Å; I149-Q199 HydrophobicContact CD1-CB 4.01Å; I149-Q199 HydrophobicContact CD1-CG 3.76Å; I149-Q199 HydrophobicContact CG2-CB 4.46Å; I149-Q199 HydrophobicContact CG2-CG 4.33Å; I149-W200 HydrophobicContact CG2-CB 3.68Å; I149-W200 HydrophobicContact CG2-CG 4.46Å; I149-F203 HydrophobicContact CB-CD2 4.29Å; I149-F203 HydrophobicContact CB-CE2 4.1Å; I149-F203 HydrophobicContact CG2-CD2 3.85Å; I149-F203 HydrophobicContact CG2-CE2 4.07Å
150	A	78.2	Confident	79.2	Confident	29 Å²	29	55.9 Å²	55.9	24%	0.24	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-16.8	178.4	0	0	0	0	0	113.8	D146 I148 F203	D146-A150 VanDerWaalsContact O-CB 3.24Å; D146-A150 WeakPolarHBondContact O-CB 3.31Å; D146-A150 PolarHBondContact O-N 2.84Å; I148-A150 PolarHBondContact O-N 3.13Å; A150-F203 HydrophobicContact CB-CD2 4.02Å; A150-F203 HydrophobicContact CB-CE2 4.19Å
151	Q	83.4	Confident	78	Confident	139 Å²	139	57.4 Å²	57.4	65%	0.65	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-13.3	176.1	-72.8	171.6	30.1	0	0	113.6	N147 I148 I149 S153	N147-Q151 VanDerWaalsContact O-CG 3.26Å; N147-Q151 WeakPolarHBondContact O-CG 3.35Å; N147-Q151 PolarHBondContact O-NE2 2.86Å; I148-Q151 PolarHBondContact O-N 3.02Å; I149-Q151 PolarHBondContact O-N 3.33Å; Q151-S153 PolarHBondContact O-N 2.99Å
152	I	83.7	Confident	76.9	Confident	6 Å²	6	58.7 Å²	58.7	3%	0.031	35%	0.346	C	S	.	.			trans	-72.3	116.4	180	-54.1	170.3	0	0	0	108.4	I149 D156 V157 I175 F176 I179 W200 I209	I149-I152 HydrophobicContact CG2-CD1 4.35Å; I149-I152 WeakPolarHBondContact O-CB 3.36Å; I149-I152 WeakPolarHBondContact O-CG1 3.43Å; I149-I152 PolarHBondContact O-N 3.46Å; I152-D156 HydrophobicContact CG2-CB 4.02Å; I152-V157 HydrophobicContact CG2-CG2 3.62Å; I152-I175 HydrophobicContact CG2-CG1 4.25Å; I152-I175 HydrophobicContact CG2-CG2 4.1Å; I152-F176 HydrophobicContact CD1-CD1 3.82Å; I152-F176 HydrophobicContact CD1-CE1 3.44Å; I152-F176 VanDerWaalsContact CD1-CE1 3.44Å; I152-F176 HydrophobicContact CD1-CZ 4.4Å; I152-I179 HydrophobicContact CD1-CD1 3.22Å; I152-I179 HydrophobicContact CG1-CD1 3.46Å; I152-I179 VanDerWaalsContact CG1-CD1 3.46Å; I152-W200 PolarHBondContact O-NE1 3.22Å; I152-I209 VanDerWaalsContact O-CG2 3.22Å; I152-I209 WeakPolarHBondContact O-CG2 3.4Å
153	S	80.1	Confident	75.7	Confident	24 Å²	24	63.3 Å²	63.3	17%	0.168	36%	0.364	C	S	.	.			trans	-76.4	161	179.4	76.5	0	0	0	0	111.3	Q151 S155 D156 V157	Q151-S153 PolarHBondContact O-N 2.99Å; S153-S155 PolarHBondContact O-N 3.27Å; S153-D156 VanDerWaalsContact CB-OD2 3.31Å; S153-D156 WeakPolarHBondContact CB-OD2 3.47Å; S153-D156 PolarHBondContact N-OD2 3.12Å; S153-D156 PolarHBondContact O-N 3.43Å; S153-D156 VanDerWaalsContact O-N 3.15Å; S153-D156 PolarHBondContact OG-N 3.46Å; S153-D156 PolarHBondContact OG-OD1 3.25Å; S153-D156 PolarHBondContact OG-OD2 2.94Å; S153-V157 PolarHBondContact O-N 3.4Å
154	L	77.9	Confident	74.7	Confident	57 Å²	57	65.1 Å²	65.1	30%	0.298	36%	0.361	S	S	.	.	H	α-helix	trans	-59.3	-35.6	174.5	-177.7	67.1	0	0	0	112.2	D156 V157 Y158 F163 W200	L154-D156 VanDerWaalsContact C-N 3.3Å; L154-D156 PolarHBondContact O-N 3.32Å; L154-V157 PolarHBondContact O-N 3.23Å; L154-Y158 HydrophobicContact CD1-CD2 3.79Å; L154-Y158 HydrophobicContact CD1-CE2 4.25Å; L154-Y158 PolarHBondContact O-N 3.46Å; L154-F163 HydrophobicContact CD1-CE1 3.65Å; L154-F163 HydrophobicContact CD1-CZ 3.94Å; L154-F163 HydrophobicContact CD2-CE1 4.2Å; L154-F163 HydrophobicContact CD2-CE2 4.47Å; L154-F163 HydrophobicContact CD2-CZ 3.6Å; L154-F163 HydrophobicContact CG-CE1 4.47Å; L154-F163 HydrophobicContact CG-CZ 4.29Å; L154-W200 HydrophobicContact CD1-CH2 3.69Å; L154-W200 HydrophobicContact CD1-CZ2 4.04Å
155	S	75.2	Confident	73.3	Confident	88 Å²	88	65.2 Å²	65.2	62%	0.615	38%	0.375	S	S	*	.	H	α-helix	trans	-67.8	-28.8	178.2	-60.3	0	0	0	0	112.9	S153 V157 Y158 P159	S153-S155 PolarHBondContact O-N 3.27Å; S155-V157 VanDerWaalsContact C-N 3.32Å; S155-Y158 CarbonylContact O-C 3.58Å; S155-P159 WeakPolarHBondContact O-CA 3.34Å
156	D	80.5	Confident	71.9	Confident	83 Å²	83	67.1 Å²	67.1	44%	0.444	39%	0.386	S	S	.	.	H	α-helix	trans	-72.1	-29.4	176.5	-57.9	-42.5	0	0	0	111.8	I152 S153 L154 I175	I152-D156 HydrophobicContact CG2-CB 4.02Å; S153-D156 VanDerWaalsContact CB-OD2 3.31Å; S153-D156 WeakPolarHBondContact CB-OD2 3.47Å; S153-D156 PolarHBondContact N-OD2 3.12Å; S153-D156 PolarHBondContact O-N 3.43Å; S153-D156 VanDerWaalsContact O-N 3.15Å; S153-D156 PolarHBondContact OG-N 3.46Å; S153-D156 PolarHBondContact OG-OD1 3.25Å; S153-D156 PolarHBondContact OG-OD2 2.94Å; L154-D156 VanDerWaalsContact C-N 3.3Å; L154-D156 PolarHBondContact O-N 3.32Å; D156-I175 HydrophobicContact CB-CG1 4.2Å
157	V	75.6	Confident	70.6	Confident	24 Å²	24	70 Å²	70	15%	0.145	40%	0.402	C	S	.	.	H	α-helix	trans	-86.9	-40.9	179	-177	0	0	0	0	111.7	I152 S153 L154 S155 P159 I175 F176 Y197 W200	I152-V157 HydrophobicContact CG2-CG2 3.62Å; S153-V157 PolarHBondContact O-N 3.4Å; L154-V157 PolarHBondContact O-N 3.23Å; S155-V157 VanDerWaalsContact C-N 3.32Å; V157-P159 WeakPolarHBondContact O-CD 3.1Å; V157-I175 HydrophobicContact CG2-CG2 4.18Å; V157-F176 HydrophobicContact CG1-CE2 4.23Å; V157-F176 HydrophobicContact CG1-CZ 4.48Å; V157-F176 HydrophobicContact CG2-CE2 4.14Å; V157-F176 HydrophobicContact CG2-CZ 3.79Å; V157-Y197 HydrophobicContact CG1-CD2 4.33Å; V157-Y197 HydrophobicContact CG1-CE2 4Å; V157-W200 HydrophobicContact CB-CH2 4.02Å; V157-W200 HydrophobicContact CB-CZ2 4.04Å; V157-W200 HydrophobicContact CB-CZ3 4.36Å; V157-W200 HydrophobicContact CG1-CE3 4.34Å; V157-W200 HydrophobicContact CG1-CH2 4.09Å; V157-W200 HydrophobicContact CG1-CZ3 3.97Å; V157-W200 HydrophobicContact CG2-CD2 3.86Å; V157-W200 VanDerWaalsContact CG2-CE2 3.49Å; V157-W200 HydrophobicContact CG2-CE3 4.2Å; V157-W200 HydrophobicContact CG2-CH2 3.97Å; V157-W200 HydrophobicContact CG2-CZ2 3.57Å; V157-W200 HydrophobicContact CG2-CZ3 4.25Å
158	Y	74.3	Confident	69.6	Low	31 Å²	31	68.1 Å²	68.1	12%	0.122	39%	0.391	C	S	.	.			trans	-121.3	78.9	179.9	-61.4	-79.7	0	0	0	110.3	L154 S155 D160 G161 V162 F163 K164 V166 Y197 W200	L154-Y158 HydrophobicContact CD1-CD2 3.79Å; L154-Y158 HydrophobicContact CD1-CE2 4.25Å; L154-Y158 PolarHBondContact O-N 3.46Å; S155-Y158 CarbonylContact O-C 3.58Å; Y158-D160 PolarHBondContact O-N 2.95Å; Y158-G161 PolarHBondContact O-N 2.69Å; Y158-V162 WeakPolarHBondContact CD1-O 3.44Å; Y158-F163 HydrophobicContact CD2-CD1 4.36Å; Y158-F163 HydrophobicContact CE2-CD1 4.13Å; Y158-F163 HydrophobicContact CE2-CE1 4.47Å; Y158-K164 PolarHBondContact OH-O 2.92Å; Y158-V166 HydrophobicContact CE1-CG2 3.76Å; Y158-V166 WeakPolarHBondContact OH-CG2 3.36Å; Y158-Y197 PolarHBondContact OH-OH 3.33Å; Y158-W200 HydrophobicContact CD2-CH2 4.48Å; Y158-W200 HydrophobicContact CE2-CH2 4.06Å; Y158-W200 HydrophobicContact CE2-CZ3 4.17Å
159	P	68.5	Low	68.2	Low	108 Å²	108	74.5 Å²	74.5	70%	0.701	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-31.3	179.1	23.3	-33.3	0	0	0	112.4	S155 V157 G161	S155-P159 WeakPolarHBondContact O-CA 3.34Å; V157-P159 WeakPolarHBondContact O-CD 3.1Å; P159-G161 PolarHBondContact O-N 3.13Å
160	D	64.4	Low	67.2	Low	130 Å²	130	77.8 Å²	77.8	70%	0.695	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-6.7	178.3	-60.9	-14.1	0	0	0	113.1	Y158 V162	Y158-D160 PolarHBondContact O-N 2.95Å; D160-V162 HydrophobicContact CB-CG2 4.33Å; D160-V162 PolarHBondContact O-N 2.95Å; D160-V162 VanDerWaalsContact O-N 3.08Å
161	G	57.4	Low	66.4	Low	55 Å²	55	76.7 Å²	76.7	57%	0.567	43%	0.433	S	S	*	.			trans	66.8	2.5	-174.2	0	0	0	0	0	114.9	Y158 P159	Y158-G161 PolarHBondContact O-N 2.69Å; P159-G161 PolarHBondContact O-N 3.13Å
162	V	57.2	Low	65.2	Low	72 Å²	72	74.5 Å²	74.5	44%	0.436	43%	0.426	S	S	.	.			trans	-92.6	112.7	178.2	-169.3	0	0	0	0	109.5	Y158 D160 K164	Y158-V162 WeakPolarHBondContact CD1-O 3.44Å; D160-V162 HydrophobicContact CB-CG2 4.33Å; D160-V162 PolarHBondContact O-N 2.95Å; D160-V162 VanDerWaalsContact O-N 3.08Å; V162-K164 HydrophobicContact CB-CG 4.29Å; V162-K164 HydrophobicContact CG1-CD 4.25Å; V162-K164 HydrophobicContact CG1-CG 3.69Å; V162-K164 PolarHBondContact O-N 2.9Å
163	F	58.7	Low	64.2	Low	114 Å²	114	79.9 Å²	79.9	50%	0.5	46%	0.461	S	S	.	.			trans	-67.6	102.1	168.6	-68.3	-88.9	0	0	0	109.3	L154 Y158	L154-F163 HydrophobicContact CD1-CE1 3.65Å; L154-F163 HydrophobicContact CD1-CZ 3.94Å; L154-F163 HydrophobicContact CD2-CE1 4.2Å; L154-F163 HydrophobicContact CD2-CE2 4.47Å; L154-F163 HydrophobicContact CD2-CZ 3.6Å; L154-F163 HydrophobicContact CG-CE1 4.47Å; L154-F163 HydrophobicContact CG-CZ 4.29Å; Y158-F163 HydrophobicContact CD2-CD1 4.36Å; Y158-F163 HydrophobicContact CE2-CD1 4.13Å; Y158-F163 HydrophobicContact CE2-CE1 4.47Å
164	K	55.7	Low	64.2	Low	129 Å²	129	80.2 Å²	80.2	56%	0.561	46%	0.463	S	S	*	.			trans	-112.5	149.1	173.1	-61.5	-179.4	-175	166.8	0	108.5	Y158 V162 V166	Y158-K164 PolarHBondContact OH-O 2.92Å; V162-K164 HydrophobicContact CB-CG 4.29Å; V162-K164 HydrophobicContact CG1-CD 4.25Å; V162-K164 HydrophobicContact CG1-CG 3.69Å; V162-K164 PolarHBondContact O-N 2.9Å; K164-V166 PolarHBondContact O-N 2.9Å
165	S	52.9	Low	64.5	Low	122 Å²	122	79.3 Å²	79.3	85%	0.853	46%	0.459	S	S	*	.			trans	-59.1	109.1	164.5	55.9	0	0	0	0	108	D167	S165-D167 PolarHBondContact O-N 3.32Å
166	V	56.9	Low	65.1	Low	39 Å²	39	75.2 Å²	75.2	24%	0.236	43%	0.43	C	S	.	.			trans	-73.2	113.9	-179	-176.2	0	0	0	0	108	Y158 K164 S170 L171 Y197	Y158-V166 HydrophobicContact CE1-CG2 3.76Å; Y158-V166 WeakPolarHBondContact OH-CG2 3.36Å; K164-V166 PolarHBondContact O-N 2.9Å; V166-S170 WeakPolarHBondContact CG1-OG 3.47Å; V166-L171 HydrophobicContact CG1-CD1 4.02Å; V166-L171 HydrophobicContact CG1-CD2 3.87Å; V166-L171 HydrophobicContact CG1-CG 3.53Å; V166-Y197 HydrophobicContact CB-CE1 4.04Å; V166-Y197 HydrophobicContact CB-CE2 4.39Å; V166-Y197 HydrophobicContact CG2-CE1 4.46Å; V166-Y197 HydrophobicContact CG2-CE2 4.03Å; V166-Y197 WeakPolarHBondContact CG2-OH 3.37Å
167	D	54.9	Low	65.4	Low	101 Å²	101	72.8 Å²	72.8	54%	0.54	42%	0.418	S	S	.	.			trans	-74.9	150	172.7	-166.3	5.3	0	0	0	109.5	S165 H169 S170	S165-D167 PolarHBondContact O-N 3.32Å; D167-H169 PolarHBondContact O-N 3.29Å; D167-H169 VanDerWaalsContact O-N 3.1Å; D167-H169 IonicContact OD2-CD2 2.76Å; D167-S170 PolarHBondContact N-OG 2.86Å; D167-S170 VanDerWaalsContact N-OG 3.15Å; D167-S170 WeakPolarHBondContact O-CB 3.44Å; D167-S170 PolarHBondContact O-N 3.18Å; D167-S170 PolarHBondContact O-OG 3.41Å
168	I	57.8	Low	66	Low	61 Å²	61	76.5 Å²	76.5	31%	0.313	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-54.1	-38.4	-175.6	-61.4	175.6	0	0	0	110.6	S170 L171 L194	I168-S170 VanDerWaalsContact C-N 3.27Å; I168-S170 PolarHBondContact O-N 3.33Å; I168-L171 PolarHBondContact O-N 3.17Å; I168-L194 HydrophobicContact CD1-CD2 4.08Å; I168-L194 HydrophobicContact CG1-CD1 4.37Å; I168-L194 HydrophobicContact CG1-CD2 4.07Å
169	H	55.6	Low	66.7	Low	152 Å²	152	75.7 Å²	75.7	70%	0.704	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-69	-21.1	179.3	-58.4	-55.9	0	0	0	114.2	D167	D167-H169 PolarHBondContact O-N 3.29Å; D167-H169 VanDerWaalsContact O-N 3.1Å; D167-H169 IonicContact OD2-CD2 2.76Å
170	S	61.4	Low	67.7	Low	70 Å²	70	72.1 Å²	72.1	49%	0.49	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-85.8	-9.3	178	64.5	0	0	0	0	113.6	V166 D167 I168 N172	V166-S170 WeakPolarHBondContact CG1-OG 3.47Å; D167-S170 PolarHBondContact N-OG 2.86Å; D167-S170 VanDerWaalsContact N-OG 3.15Å; D167-S170 WeakPolarHBondContact O-CB 3.44Å; D167-S170 PolarHBondContact O-N 3.18Å; D167-S170 PolarHBondContact O-OG 3.41Å; I168-S170 VanDerWaalsContact C-N 3.27Å; I168-S170 PolarHBondContact O-N 3.33Å; S170-N172 VanDerWaalsContact C-N 3.34Å
171	L	61.6	Low	68.9	Low	6 Å²	6	75 Å²	75	3%	0.031	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-83.2	-9.4	176.4	-78	157.4	0	0	0	113.4	V166 I168 P173 S174 F176 T177 E193 L194 Y197	V166-L171 HydrophobicContact CG1-CD1 4.02Å; V166-L171 HydrophobicContact CG1-CD2 3.87Å; V166-L171 HydrophobicContact CG1-CG 3.53Å; I168-L171 PolarHBondContact O-N 3.17Å; L171-P173 CarbonylContact O-C 3.41Å; L171-S174 WeakPolarHBondContact O-CB 3.14Å; L171-S174 PolarHBondContact O-N 3.45Å; L171-S174 PolarHBondContact O-OG 2.79Å; L171-F176 HydrophobicContact CD2-CD2 3.65Å; L171-F176 HydrophobicContact CD2-CE2 4Å; L171-T177 PolarHBondContact O-OG1 3.37Å; L171-E193 HydrophobicContact CB-CB 4.17Å; L171-L194 HydrophobicContact CD1-CB 4.36Å; L171-L194 HydrophobicContact CD1-CD1 3.59Å; L171-Y197 HydrophobicContact CD1-CD1 3.99Å; L171-Y197 HydrophobicContact CD1-CG 4.19Å; L171-Y197 HydrophobicContact CD2-CD1 4.27Å; L171-Y197 HydrophobicContact CD2-CD2 3.98Å; L171-Y197 HydrophobicContact CD2-CG 3.7Å
172	N	58.3	Low	70.5	Confident	93 Å²	93	78.3 Å²	78.3	50%	0.497	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.4	108.6	178.8	-161.2	-24.6	0	0	0	110.5	S170 E193	S170-N172 VanDerWaalsContact C-N 3.34Å; N172-E193 PolarHBondContact ND2-OE1 3.46Å
173	P	63.8	Low	72	Confident	119 Å²	119	78.5 Å²	78.5	77%	0.773	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	cis	-83.9	135.2	3.5	32.4	-32.9	0	0	0	113.2	L171	L171-P173 CarbonylContact O-C 3.41Å
174	S	79.9	Confident	73.4	Confident	30 Å²	30	77.3 Å²	77.3	21%	0.21	40%	0.403	C	S	.	.	S	Bend	trans	-134.2	177.2	168.7	69.6	0	0	0	0	111.8	L171 F176 T177 E178	L171-S174 WeakPolarHBondContact O-CB 3.14Å; L171-S174 PolarHBondContact O-N 3.45Å; L171-S174 PolarHBondContact O-OG 2.79Å; S174-F176 PolarHBondContact O-N 2.86Å; S174-F176 VanDerWaalsContact O-N 3.12Å; S174-F176 WeakPolarHBondContact OG-CB 3.3Å; S174-F176 WeakPolarHBondContact OG-CD2 3.27Å; S174-F176 PolarHBondContact OG-N 3.07Å; S174-T177 PolarHBondContact N-OG1 3.46Å; S174-T177 WeakPolarHBondContact O-CB 3.19Å; S174-T177 PolarHBondContact O-N 3.14Å; S174-E178 PolarHBondContact O-N 3.15Å
175	I	83.8	Confident	74.9	Confident	39 Å²	39	77.6 Å²	77.6	20%	0.2	42%	0.416	C	S	.	.	H	α-helix	trans	-52.3	-30.8	170.1	-173.8	60	0	0	0	112.1	I152 D156 V157 E178 I179	I152-I175 HydrophobicContact CG2-CG1 4.25Å; I152-I175 HydrophobicContact CG2-CG2 4.1Å; D156-I175 HydrophobicContact CB-CG1 4.2Å; V157-I175 HydrophobicContact CG2-CG2 4.18Å; I175-E178 PolarHBondContact O-N 3.29Å; I175-I179 HydrophobicContact CG1-CD1 4.09Å; I175-I179 VanDerWaalsContact O-CG1 3.29Å; I175-I179 WeakPolarHBondContact O-CG1 3.22Å; I175-I179 PolarHBondContact O-N 3.47Å
176	F	87.9	Confident	76.6	Confident	1 Å²	1	72.8 Å²	72.8	0%	0.004	38%	0.382	C	S	.	.	H	α-helix	trans	-70.5	-38.6	177.7	-55	-70.3	0	0	0	112.1	I152 V157 L171 S174 E178 I179 L180 E193 L196 Y197 W200	I152-F176 HydrophobicContact CD1-CD1 3.82Å; I152-F176 HydrophobicContact CD1-CE1 3.44Å; I152-F176 VanDerWaalsContact CD1-CE1 3.44Å; I152-F176 HydrophobicContact CD1-CZ 4.4Å; V157-F176 HydrophobicContact CG1-CE2 4.23Å; V157-F176 HydrophobicContact CG1-CZ 4.48Å; V157-F176 HydrophobicContact CG2-CE2 4.14Å; V157-F176 HydrophobicContact CG2-CZ 3.79Å; L171-F176 HydrophobicContact CD2-CD2 3.65Å; L171-F176 HydrophobicContact CD2-CE2 4Å; S174-F176 PolarHBondContact O-N 2.86Å; S174-F176 VanDerWaalsContact O-N 3.12Å; S174-F176 WeakPolarHBondContact OG-CB 3.3Å; S174-F176 WeakPolarHBondContact OG-CD2 3.27Å; S174-F176 PolarHBondContact OG-N 3.07Å; F176-E178 VanDerWaalsContact C-N 3.28Å; F176-E178 PolarHBondContact O-N 3.35Å; F176-I179 PolarHBondContact O-N 3.07Å; F176-L180 WeakPolarHBondContact O-CG 3.37Å; F176-L180 PolarHBondContact O-N 2.89Å; F176-E193 HydrophobicContact CB-CB 3.92Å; F176-E193 HydrophobicContact CB-CG 4.17Å; F176-L196 HydrophobicContact CB-CB 4.17Å; F176-L196 HydrophobicContact CB-CD2 4.48Å; F176-L196 HydrophobicContact CD1-CB 3.62Å; F176-L196 HydrophobicContact CD1-CD2 4.5Å; F176-L196 HydrophobicContact CE1-CB 4.4Å; F176-L196 HydrophobicContact CG-CB 4.19Å; F176-Y197 HydrophobicContact CD2-CD2 4.36Å; F176-Y197 AromaticContact CE2-CD2 3.46Å; F176-Y197 HydrophobicContact CE2-CD2 3.46Å; F176-Y197 VanDerWaalsContact CE2-CD2 3.46Å; F176-Y197 HydrophobicContact CE2-CG 4.04Å; F176-Y197 AromaticContact CZ-CD2 3.73Å; F176-Y197 HydrophobicContact CZ-CD2 3.73Å; F176-Y197 HydrophobicContact CZ-CG 4.36Å; F176-W200 HydrophobicContact CE1-CB 3.68Å; F176-W200 AromaticContact CE1-CG 3.97Å; F176-W200 HydrophobicContact CE1-CG 3.97Å; F176-W200 HydrophobicContact CZ-CB 3.86Å; F176-W200 HydrophobicContact CZ-CD2 4.12Å; F176-W200 HydrophobicContact CZ-CE3 4.41Å; F176-W200 AromaticContact CZ-CG 3.86Å; F176-W200 HydrophobicContact CZ-CG 3.86Å
177	T	87.4	Confident	78.1	Confident	33 Å²	33	71.5 Å²	71.5	20%	0.202	37%	0.373	C	S	.	.	H	α-helix	trans	-59.8	-42.2	171.2	-50.8	0	0	0	0	110.4	L171 S174 R181 E193	L171-T177 PolarHBondContact O-OG1 3.37Å; S174-T177 PolarHBondContact N-OG1 3.46Å; S174-T177 WeakPolarHBondContact O-CB 3.19Å; S174-T177 PolarHBondContact O-N 3.14Å; T177-R181 PolarHBondContact O-N 2.98Å; T177-R181 VanDerWaalsContact O-N 3.1Å; T177-E193 WeakPolarHBondContact CG2-OE1 3.47Å; T177-E193 WeakPolarHBondContact OG1-CG 3.39Å; T177-E193 PolarHBondContact OG1-OE1 2.91Å
178	E	87.8	Confident	79.6	Confident	101 Å²	101	68.5 Å²	68.5	47%	0.472	35%	0.354	S	S	.	.	H	α-helix	trans	-64.5	-41.9	178.5	-170.2	-176.8	165.2	0	0	111.9	S174 I175 F176 R181 K182	S174-E178 PolarHBondContact O-N 3.15Å; I175-E178 PolarHBondContact O-N 3.29Å; F176-E178 VanDerWaalsContact C-N 3.28Å; F176-E178 PolarHBondContact O-N 3.35Å; E178-R181 PolarHBondContact O-N 3.09Å; E178-K182 VanDerWaalsContact O-CB 3.25Å; E178-K182 WeakPolarHBondContact O-CB 3.28Å; E178-K182 PolarHBondContact O-N 3.05Å
179	I	89.5	Confident	80.9	Confident	14 Å²	14	71.8 Å²	71.8	7%	0.072	38%	0.377	C	S	.	.	H	α-helix	trans	-63.9	-44.8	179	-74.5	169.8	0	0	0	111.6	I148 I152 I175 F176 R181 K182 Y183 F187 L196	I148-I179 HydrophobicContact CG2-CG2 3.66Å; I152-I179 HydrophobicContact CD1-CD1 3.22Å; I152-I179 HydrophobicContact CG1-CD1 3.46Å; I152-I179 VanDerWaalsContact CG1-CD1 3.46Å; I175-I179 HydrophobicContact CG1-CD1 4.09Å; I175-I179 VanDerWaalsContact O-CG1 3.29Å; I175-I179 WeakPolarHBondContact O-CG1 3.22Å; I175-I179 PolarHBondContact O-N 3.47Å; F176-I179 PolarHBondContact O-N 3.07Å; I179-R181 VanDerWaalsContact C-N 3.28Å; I179-R181 PolarHBondContact O-N 3.37Å; I179-K182 PolarHBondContact O-N 3.45Å; I179-Y183 HydrophobicContact CG2-CD2 4.23Å; I179-Y183 PolarHBondContact O-N 2.83Å; I179-F187 HydrophobicContact CG2-CE2 3.54Å; I179-F187 HydrophobicContact CG2-CZ 3.77Å; I179-L196 HydrophobicContact CB-CD2 4.27Å; I179-L196 HydrophobicContact CG2-CD2 3.74Å
180	L	89.4	Confident	82.3	Confident	33 Å²	33	64.9 Å²	64.9	17%	0.173	35%	0.347	C	S	.	.	H	α-helix	trans	-60.3	-40	175.5	-71.9	172.2	0	0	0	111.4	F176 F187 R191 E193 L196	F176-L180 WeakPolarHBondContact O-CG 3.37Å; F176-L180 PolarHBondContact O-N 2.89Å; L180-F187 HydrophobicContact CD2-CB 3.94Å; L180-F187 HydrophobicContact CD2-CD1 4.42Å; L180-F187 HydrophobicContact CD2-CD2 4.13Å; L180-F187 HydrophobicContact CD2-CG 3.91Å; L180-R191 HydrophobicContact CD2-CB 4.47Å; L180-E193 HydrophobicContact CD1-CG 4.18Å; L180-L196 HydrophobicContact CD2-CD1 3.83Å; L180-L196 HydrophobicContact CD2-CD2 3.89Å; L180-L196 HydrophobicContact CG-CD1 4.41Å; L180-L196 HydrophobicContact CG-CD2 3.85Å
181	R	89.4	Confident	83.5	Confident	192 Å²	192	62.2 Å²	62.2	73%	0.725	33%	0.327	S	S	*	.	H	α-helix	trans	-69.4	-35.4	176.2	-164.7	-172.7	72.3	81.6	-0.9	112.9	T177 E178 I179	T177-R181 PolarHBondContact O-N 2.98Å; T177-R181 VanDerWaalsContact O-N 3.1Å; E178-R181 PolarHBondContact O-N 3.09Å; I179-R181 VanDerWaalsContact C-N 3.28Å; I179-R181 PolarHBondContact O-N 3.37Å
182	K	90.9	Very high	84.7	Confident	124 Å²	124	64 Å²	64	54%	0.539	34%	0.336	S	S	.	.	H	α-helix	trans	-77.4	-32.9	-176.3	-174.2	173.4	179.3	176.5	0	112.6	E178 I179 P184	E178-K182 VanDerWaalsContact O-CB 3.25Å; E178-K182 WeakPolarHBondContact O-CB 3.28Å; E178-K182 PolarHBondContact O-N 3.05Å; I179-K182 PolarHBondContact O-N 3.45Å; K182-P184 WeakPolarHBondContact O-CD 3.14Å
183	Y	88.9	Confident	86	Confident	75 Å²	75	61.3 Å²	61.3	29%	0.294	32%	0.32	S	S	.	.			trans	-124.7	57.7	-176.2	-56.5	-73.6	0	0	0	112.9	I148 I179 T185 V186 F187	I148-Y183 HydrophobicContact CD1-CD1 4.21Å; I148-Y183 HydrophobicContact CD1-CD2 3.93Å; I148-Y183 HydrophobicContact CD1-CE2 4.27Å; I148-Y183 HydrophobicContact CD1-CG 3.87Å; I148-Y183 HydrophobicContact CG2-CD2 4.01Å; I148-Y183 HydrophobicContact CG2-CE2 3.93Å; I179-Y183 HydrophobicContact CG2-CD2 4.23Å; I179-Y183 PolarHBondContact O-N 2.83Å; Y183-T185 PolarHBondContact O-N 3.15Å; Y183-T185 VanDerWaalsContact O-N 3.14Å; Y183-V186 HydrophobicContact CD1-CG2 4.44Å; Y183-V186 PolarHBondContact O-N 2.83Å; Y183-V186 VanDerWaalsContact O-N 3.07Å; Y183-F187 PolarHBondContact O-N 3.14Å
184	P	88.1	Confident	86.9	Confident	89 Å²	89	56.1 Å²	56.1	58%	0.578	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-20.6	-173.7	28.6	-36.5	0	0	0	113.8	K182	K182-P184 WeakPolarHBondContact O-CD 3.14Å
185	T	87	Confident	87.1	Confident	136 Å²	136	54.9 Å²	54.9	83%	0.834	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-9.2	178.6	61.2	0	0	0	0	113.4	Y183	Y183-T185 PolarHBondContact O-N 3.15Å; Y183-T185 VanDerWaalsContact O-N 3.14Å
186	V	87.6	Confident	87.3	Confident	21 Å²	21	53 Å²	53	13%	0.127	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-39.5	-177.5	-179	0	0	0	0	110.6	Q144 E145 I148 Y183	Q144-V186 HydrophobicContact CB-CG1 4.16Å; Q144-V186 HydrophobicContact CG-CG1 3.72Å; E145-V186 HydrophobicContact CG-CG1 3.83Å; E145-V186 WeakPolarHBondContact CG-O 3Å; I148-V186 HydrophobicContact CD1-CB 4.27Å; I148-V186 HydrophobicContact CD1-CG1 3.74Å; I148-V186 HydrophobicContact CD1-CG2 4.32Å; Y183-V186 HydrophobicContact CD1-CG2 4.44Å; Y183-V186 PolarHBondContact O-N 2.83Å; Y183-V186 VanDerWaalsContact O-N 3.07Å
187	F	88.9	Confident	87	Confident	11 Å²	11	54.3 Å²	54.3	5%	0.048	27%	0.273	C	S	.	.	S	Bend	trans	-91.7	143.4	178.8	-63	-82.7	0	0	0	111.6	E145 I148 I149 I179 L180 Y183 L196	E145-F187 HydrophobicContact CB-CD1 4.06Å; E145-F187 HydrophobicContact CB-CE1 3.62Å; E145-F187 HydrophobicContact CB-CZ 4.3Å; E145-F187 HydrophobicContact CG-CD1 3.59Å; E145-F187 HydrophobicContact CG-CE1 3.66Å; E145-F187 HydrophobicContact CG-CG 4.27Å; E145-F187 HydrophobicContact CG-CZ 4.37Å; E145-F187 VanDerWaalsContact OE1-CA 3.31Å; E145-F187 WeakPolarHBondContact OE1-CA 3.5Å; I148-F187 HydrophobicContact CB-CZ 4.35Å; I148-F187 HydrophobicContact CD1-CE2 4.2Å; I148-F187 HydrophobicContact CD1-CZ 4.41Å; I148-F187 HydrophobicContact CG2-CE2 4.39Å; I148-F187 HydrophobicContact CG2-CZ 4.19Å; I149-F187 HydrophobicContact CD1-CE1 4.13Å; I149-F187 HydrophobicContact CG1-CE1 4.38Å; I149-F187 HydrophobicContact CG1-CZ 4.39Å; I179-F187 HydrophobicContact CG2-CE2 3.54Å; I179-F187 HydrophobicContact CG2-CZ 3.77Å; L180-F187 HydrophobicContact CD2-CB 3.94Å; L180-F187 HydrophobicContact CD2-CD1 4.42Å; L180-F187 HydrophobicContact CD2-CD2 4.13Å; L180-F187 HydrophobicContact CD2-CG 3.91Å; Y183-F187 PolarHBondContact O-N 3.14Å; F187-L196 HydrophobicContact CD1-CD1 3.99Å; F187-L196 HydrophobicContact CD1-CG 4.49Å; F187-L196 HydrophobicContact CE1-CD1 4Å; F187-L196 HydrophobicContact CE1-CD2 4.04Å; F187-L196 HydrophobicContact CE1-CG 4.01Å; F187-L196 HydrophobicContact CE2-CD2 4.47Å; F187-L196 HydrophobicContact CZ-CD2 4.01Å; F187-L196 HydrophobicContact CZ-CG 4.42Å
188	Y	87.3	Confident	86.5	Confident	39 Å²	39	55.8 Å²	55.8	15%	0.153	28%	0.275	C	S	.	.			trans	-59.6	143.4	169	-78.6	-90.3	0	0	0	111.1	M81 D136 I139 G190 R191	M81-Y188 HydrophobicContact CE-CE2 4.44Å; M81-Y188 WeakPolarHBondContact CE-OH 3.39Å; M81-Y188 HydrophobicContact CG-CE2 4.03Å; M81-Y188 VanDerWaalsContact CG-OH 3.3Å; M81-Y188 WeakPolarHBondContact CG-OH 3.4Å; M81-Y188 HydrophobicContact SD-CE2 3.93Å; D136-Y188 HydrophobicContact CB-CD1 4.27Å; D136-Y188 HydrophobicContact CB-CG 4.3Å; I139-Y188 HydrophobicContact CB-CE2 4.3Å; I139-Y188 HydrophobicContact CD1-CD1 3.92Å; I139-Y188 HydrophobicContact CD1-CE1 3.51Å; I139-Y188 HydrophobicContact CD1-CE2 4.21Å; I139-Y188 HydrophobicContact CD1-CG 4.42Å; I139-Y188 HydrophobicContact CG2-CE2 3.78Å; Y188-G190 PolarHBondContact O-N 3.06Å; Y188-R191 PolarHBondContact O-N 3.03Å
189	T	84.4	Confident	86	Confident	129 Å²	129	51.9 Å²	51.9	79%	0.791	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-25.7	-174.5	50.8	0	0	0	0	114.1	D136	D136-T189 PolarHBondContact OD2-OG1 3.2Å; D136-T189 VanDerWaalsContact OD2-OG1 3.08Å
190	G	84.3	Confident	85.6	Confident	8 Å²	8	51.5 Å²	51.5	8%	0.082	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-8.5	178	0	0	0	0	0	116.4	S133 D136 R137 Y188	S133-G190 VanDerWaalsContact O-CA 3.29Å; S133-G190 WeakPolarHBondContact O-CA 3.33Å; S133-G190 WeakPolarHBondContact OG-CA 3.42Å; D136-G190 PolarHBondContact OD2-N 2.76Å; R137-G190 VanDerWaalsContact CD-O 3.23Å; R137-G190 WeakPolarHBondContact CD-O 3.36Å; R137-G190 WeakPolarHBondContact CG-O 3.47Å; Y188-G190 PolarHBondContact O-N 3.06Å
191	R	88.4	Confident	84.7	Confident	14 Å²	14	51.2 Å²	51.2	5%	0.053	26%	0.255	C	S	.	.			trans	-74.4	136	-177.9	-67.8	-167.5	178	178.5	13.9	111.8	I139 P140 E145 L180 Y188 D195 L196	I139-R191 PolarHBondContact O-NH2 3.49Å; P140-R191 PolarHBondContact O-NH2 3.34Å; P140-R191 VanDerWaalsContact O-NH2 3.13Å; E145-R191 VanDerWaalsContact CD-CZ 3.44Å; E145-R191 IonicContact OE1-CZ 3.11Å; E145-R191 IonicContact OE1-NE 3.79Å; E145-R191 IonicContact OE1-NH1 3.35Å; E145-R191 PolarHBondContact OE1-NH1 3.14Å; E145-R191 IonicContact OE1-NH2 2.65Å; E145-R191 PolarHBondContact OE1-NH2 3.43Å; E145-R191 IonicContact OE2-CZ 3.93Å; E145-R191 IonicContact OE2-NH1 3.23Å; E145-R191 PolarHBondContact OE2-NH1 3.3Å; E145-R191 IonicContact OE2-NH2 3.99Å; E145-R191 PolarHBondContact OE2-NH2 2.88Å; L180-R191 HydrophobicContact CD2-CB 4.47Å; Y188-R191 PolarHBondContact O-N 3.03Å; R191-D195 WeakPolarHBondContact CA-OD2 3.49Å; R191-L196 HydrophobicContact CB-CD1 4.33Å
192	D	85.9	Confident	83.6	Confident	44 Å²	44	49.5 Å²	49.5	24%	0.235	25%	0.248	C	C	.	.			trans	-111.3	174.1	176.4	68.7	16.6	0	0	0	112.6	R137 L194 D195 L196	R137-D192 IonicContact CZ-OD1 2.74Å; R137-D192 IonicContact CZ-OD2 3.95Å; R137-D192 IonicContact NE-OD2 3.35Å; R137-D192 IonicContact NH1-OD2 2.78Å; R137-D192 PolarHBondContact NH1-OD2 3.29Å; R137-D192 IonicContact NH2-OD1 3.08Å; R137-D192 PolarHBondContact NH2-OD1 2.94Å; R137-D192 IonicContact NH2-OD2 3.5Å; R137-D192 PolarHBondContact NH2-OD2 3.01Å; D192-L194 PolarHBondContact O-N 3.47Å; D192-L194 WeakPolarHBondContact OD1-CB 3.25Å; D192-L194 PolarHBondContact OD1-N 2.92Å; D192-L194 VanDerWaalsContact OD1-N 3.16Å; D192-D195 PolarHBondContact N-OD2 2.82Å; D192-D195 VanDerWaalsContact N-OD2 3.09Å; D192-D195 WeakPolarHBondContact O-CB 3.41Å; D192-D195 PolarHBondContact O-N 2.95Å; D192-D195 VanDerWaalsContact O-N 3.17Å; D192-D195 PolarHBondContact OD1-N 3.45Å; D192-L196 PolarHBondContact O-N 3.49Å
193	E	86.3	Confident	82.3	Confident	35 Å²	35	44.8 Å²	44.8	16%	0.164	23%	0.228	C	C	.	.	H	α-helix	trans	-59.4	-32.4	-179.3	-65.2	88	170.7	0	0	112.7	L171 N172 F176 T177 L180 L196 Y197	L171-E193 HydrophobicContact CB-CB 4.17Å; N172-E193 PolarHBondContact ND2-OE1 3.46Å; F176-E193 HydrophobicContact CB-CB 3.92Å; F176-E193 HydrophobicContact CB-CG 4.17Å; T177-E193 WeakPolarHBondContact CG2-OE1 3.47Å; T177-E193 WeakPolarHBondContact OG1-CG 3.39Å; T177-E193 PolarHBondContact OG1-OE1 2.91Å; L180-E193 HydrophobicContact CD1-CG 4.18Å; E193-L196 PolarHBondContact O-N 2.8Å; E193-Y197 WeakPolarHBondContact O-CB 3.42Å; E193-Y197 PolarHBondContact O-N 3.48Å
194	L	81.3	Confident	81.2	Confident	11 Å²	11	42.8 Å²	42.8	6%	0.058	23%	0.225	C	C	.	.	H	α-helix	trans	-70.2	-37.4	-179.8	-176.6	67.7	0	0	0	111.1	I168 L171 D192 L196 Y197 R198 G505	I168-L194 HydrophobicContact CD1-CD2 4.08Å; I168-L194 HydrophobicContact CG1-CD1 4.37Å; I168-L194 HydrophobicContact CG1-CD2 4.07Å; L171-L194 HydrophobicContact CD1-CB 4.36Å; L171-L194 HydrophobicContact CD1-CD1 3.59Å; D192-L194 PolarHBondContact O-N 3.47Å; D192-L194 WeakPolarHBondContact OD1-CB 3.25Å; D192-L194 PolarHBondContact OD1-N 2.92Å; D192-L194 VanDerWaalsContact OD1-N 3.16Å; L194-L196 VanDerWaalsContact C-N 3.33Å; L194-Y197 HydrophobicContact CD1-CD1 4.38Å; L194-Y197 PolarHBondContact O-N 3.49Å; L194-R198 HydrophobicContact CD1-CG 4.4Å; L194-R198 HydrophobicContact CG-CG 4.49Å; L194-R198 WeakPolarHBondContact O-CB 3.49Å; L194-R198 WeakPolarHBondContact O-CG 3.31Å; L194-R198 PolarHBondContact O-N 3.39Å; L194-G505 WeakPolarHBondContact CD2-O 3.38Å
195	D	84	Confident	79.8	Confident	4 Å²	4	44.2 Å²	44.2	2%	0.021	23%	0.227	C	C	.	.	H	α-helix	trans	-59.4	-46.4	174.5	-57.3	-22.3	0	0	0	110.6	R137 F141 R191 D192 Q199 R476	R137-D195 WeakPolarHBondContact CG-OD2 3.47Å; R137-D195 IonicContact CZ-OD1 2.77Å; R137-D195 IonicContact CZ-OD2 2.6Å; R137-D195 IonicContact NE-OD1 2.81Å; R137-D195 PolarHBondContact NE-OD1 3.33Å; R137-D195 IonicContact NE-OD2 3.44Å; R137-D195 PolarHBondContact NE-OD2 2.87Å; R137-D195 IonicContact NH2-OD1 3.82Å; R137-D195 PolarHBondContact NH2-OD1 2.92Å; R137-D195 IonicContact NH2-OD2 3.4Å; F141-D195 HydrophobicContact CZ-CB 4.45Å; R191-D195 WeakPolarHBondContact CA-OD2 3.49Å; D192-D195 PolarHBondContact N-OD2 2.82Å; D192-D195 VanDerWaalsContact N-OD2 3.09Å; D192-D195 WeakPolarHBondContact O-CB 3.41Å; D192-D195 PolarHBondContact O-N 2.95Å; D192-D195 VanDerWaalsContact O-N 3.17Å; D192-D195 PolarHBondContact OD1-N 3.45Å; D195-Q199 PolarHBondContact O-N 3.39Å; D195-Q199 VanDerWaalsContact O-N 3.12Å; D195-R476 VanDerWaalsContact CG-NH2 3.32Å; D195-R476 IonicContact OD1-CZ 2.79Å; D195-R476 IonicContact OD1-NH1 3.52Å; D195-R476 PolarHBondContact OD1-NH1 3.08Å; D195-R476 IonicContact OD1-NH2 3.9Å; D195-R476 PolarHBondContact OD1-NH2 3.39Å; D195-R476 IonicContact OD2-NH2 3.12Å
196	L	88.1	Confident	78.3	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-69	-43.8	177.7	-86.1	62.8	0	0	0	112.3	F141 I149 F176 I179 L180 F187 R191 D192 E193 L194 R198 Q199 W200	F141-L196 HydrophobicContact CE1-CD1 4.5Å; I149-L196 HydrophobicContact CD1-CG 4.11Å; I149-L196 HydrophobicContact CG1-CG 4.32Å; F176-L196 HydrophobicContact CB-CB 4.17Å; F176-L196 HydrophobicContact CB-CD2 4.48Å; F176-L196 HydrophobicContact CD1-CB 3.62Å; F176-L196 HydrophobicContact CD1-CD2 4.5Å; F176-L196 HydrophobicContact CE1-CB 4.4Å; F176-L196 HydrophobicContact CG-CB 4.19Å; I179-L196 HydrophobicContact CB-CD2 4.27Å; I179-L196 HydrophobicContact CG2-CD2 3.74Å; L180-L196 HydrophobicContact CD2-CD1 3.83Å; L180-L196 HydrophobicContact CD2-CD2 3.89Å; L180-L196 HydrophobicContact CG-CD1 4.41Å; L180-L196 HydrophobicContact CG-CD2 3.85Å; F187-L196 HydrophobicContact CD1-CD1 3.99Å; F187-L196 HydrophobicContact CD1-CG 4.49Å; F187-L196 HydrophobicContact CE1-CD1 4Å; F187-L196 HydrophobicContact CE1-CD2 4.04Å; F187-L196 HydrophobicContact CE1-CG 4.01Å; F187-L196 HydrophobicContact CE2-CD2 4.47Å; F187-L196 HydrophobicContact CZ-CD2 4.01Å; F187-L196 HydrophobicContact CZ-CG 4.42Å; R191-L196 HydrophobicContact CB-CD1 4.33Å; D192-L196 PolarHBondContact O-N 3.49Å; E193-L196 PolarHBondContact O-N 2.8Å; L194-L196 VanDerWaalsContact C-N 3.33Å; L196-R198 VanDerWaalsContact C-N 3.3Å; L196-R198 PolarHBondContact O-N 3.36Å; L196-Q199 PolarHBondContact O-N 3.43Å; L196-W200 WeakPolarHBondContact O-CB 3.43Å; L196-W200 PolarHBondContact O-N 2.88Å
197	Y	82.9	Confident	76.8	Confident	28 Å²	28	42.8 Å²	42.8	11%	0.11	21%	0.212	C	C	.	.	H	α-helix	trans	-59.5	-41.5	177	172.3	-111	0	0	0	111.7	V157 Y158 V166 L171 F176 E193 L194 W200 C201	V157-Y197 HydrophobicContact CG1-CD2 4.33Å; V157-Y197 HydrophobicContact CG1-CE2 4Å; Y158-Y197 PolarHBondContact OH-OH 3.33Å; V166-Y197 HydrophobicContact CB-CE1 4.04Å; V166-Y197 HydrophobicContact CB-CE2 4.39Å; V166-Y197 HydrophobicContact CG2-CE1 4.46Å; V166-Y197 HydrophobicContact CG2-CE2 4.03Å; V166-Y197 WeakPolarHBondContact CG2-OH 3.37Å; L171-Y197 HydrophobicContact CD1-CD1 3.99Å; L171-Y197 HydrophobicContact CD1-CG 4.19Å; L171-Y197 HydrophobicContact CD2-CD1 4.27Å; L171-Y197 HydrophobicContact CD2-CD2 3.98Å; L171-Y197 HydrophobicContact CD2-CG 3.7Å; F176-Y197 HydrophobicContact CD2-CD2 4.36Å; F176-Y197 AromaticContact CE2-CD2 3.46Å; F176-Y197 HydrophobicContact CE2-CD2 3.46Å; F176-Y197 VanDerWaalsContact CE2-CD2 3.46Å; F176-Y197 HydrophobicContact CE2-CG 4.04Å; F176-Y197 AromaticContact CZ-CD2 3.73Å; F176-Y197 HydrophobicContact CZ-CD2 3.73Å; F176-Y197 HydrophobicContact CZ-CG 4.36Å; E193-Y197 WeakPolarHBondContact O-CB 3.42Å; E193-Y197 PolarHBondContact O-N 3.48Å; L194-Y197 HydrophobicContact CD1-CD1 4.38Å; L194-Y197 PolarHBondContact O-N 3.49Å; Y197-W200 HydrophobicContact CD2-CE3 4.12Å; Y197-W200 HydrophobicContact CE2-CE3 4.06Å; Y197-W200 HydrophobicContact CE2-CZ3 4.16Å; Y197-W200 CarbonylContact O-C 3.51Å; Y197-W200 WeakPolarHBondContact O-CB 3.48Å; Y197-W200 PolarHBondContact O-N 2.96Å; Y197-C201 VanDerWaalsContact CE2-SG 3.57Å; Y197-C201 PolarHBondContact O-N 3.46Å; Y197-C201 PolarHBondContact O-SG 2.96Å
198	R	75.4	Confident	75.2	Confident	63 Å²	63	44.8 Å²	44.8	24%	0.238	23%	0.226	C	C	.	.	H	α-helix	trans	-65.9	-43	177.1	-73.6	173.6	-178.7	-118.6	-12.9	111.9	L194 L196 W200 C201 R202 R476 M503 E504	L194-R198 HydrophobicContact CD1-CG 4.4Å; L194-R198 HydrophobicContact CG-CG 4.49Å; L194-R198 WeakPolarHBondContact O-CB 3.49Å; L194-R198 WeakPolarHBondContact O-CG 3.31Å; L194-R198 PolarHBondContact O-N 3.39Å; L196-R198 VanDerWaalsContact C-N 3.3Å; L196-R198 PolarHBondContact O-N 3.36Å; R198-W200 VanDerWaalsContact C-N 3.29Å; R198-W200 PolarHBondContact O-N 3.5Å; R198-C201 WeakPolarHBondContact O-CB 3.46Å; R198-C201 PolarHBondContact O-N 2.98Å; R198-R202 WeakPolarHBondContact O-CB 3.24Å; R198-R202 PolarHBondContact O-N 2.84Å; R198-R476 VanDerWaalsContact NH1-CD 3.26Å; R198-M503 PolarHBondContact NH1-O 3.4Å; R198-M503 VanDerWaalsContact NH1-O 3.1Å; R198-M503 PolarHBondContact NH2-O 3.47Å; R198-M503 VanDerWaalsContact NH2-O 3.15Å; R198-E504 PolarHBondContact NH1-O 3.47Å
199	Q	77.6	Confident	73.9	Confident	20 Å²	20	44 Å²	44	9%	0.093	22%	0.224	C	C	.	.	H	α-helix	trans	-63.7	-39.2	175.2	-174	68.2	-7	0	0	111.1	F141 D146 I149 D195 L196 R202 F203	F141-Q199 HydrophobicContact CD1-CB 4.23Å; F141-Q199 HydrophobicContact CD1-CG 3.72Å; F141-Q199 HydrophobicContact CD2-CG 4.19Å; F141-Q199 HydrophobicContact CE1-CB 3.75Å; F141-Q199 HydrophobicContact CE1-CG 3.79Å; F141-Q199 HydrophobicContact CE2-CB 4.09Å; F141-Q199 HydrophobicContact CE2-CG 4.22Å; F141-Q199 HydrophobicContact CG-CG 3.98Å; F141-Q199 HydrophobicContact CZ-CB 3.68Å; F141-Q199 HydrophobicContact CZ-CG 4.04Å; D146-Q199 PolarHBondContact OD1-NE2 2.87Å; I149-Q199 HydrophobicContact CD1-CB 4.01Å; I149-Q199 HydrophobicContact CD1-CG 3.76Å; I149-Q199 HydrophobicContact CG2-CB 4.46Å; I149-Q199 HydrophobicContact CG2-CG 4.33Å; D195-Q199 PolarHBondContact O-N 3.39Å; D195-Q199 VanDerWaalsContact O-N 3.12Å; L196-Q199 PolarHBondContact O-N 3.43Å; Q199-R202 VanDerWaalsContact O-CB 3.24Å; Q199-R202 WeakPolarHBondContact O-CB 3.39Å; Q199-R202 PolarHBondContact O-N 2.96Å; Q199-F203 HydrophobicContact CG-CE2 4.2Å; Q199-F203 HydrophobicContact CG-CZ 4.25Å; Q199-F203 PolarHBondContact O-N 3.39Å
200	W	82.1	Confident	72.3	Confident	5 Å²	5	44.4 Å²	44.4	2%	0.019	22%	0.22	C	C	.	.	H	α-helix	trans	-62.4	-46.2	172.5	178.7	86.2	0	0	0	112.2	I149 I152 L154 V157 Y158 F176 L196 Y197 R198 R202 F203 S204 I209	I149-W200 HydrophobicContact CG2-CB 3.68Å; I149-W200 HydrophobicContact CG2-CG 4.46Å; I152-W200 PolarHBondContact O-NE1 3.22Å; L154-W200 HydrophobicContact CD1-CH2 3.69Å; L154-W200 HydrophobicContact CD1-CZ2 4.04Å; V157-W200 HydrophobicContact CB-CH2 4.02Å; V157-W200 HydrophobicContact CB-CZ2 4.04Å; V157-W200 HydrophobicContact CB-CZ3 4.36Å; V157-W200 HydrophobicContact CG1-CE3 4.34Å; V157-W200 HydrophobicContact CG1-CH2 4.09Å; V157-W200 HydrophobicContact CG1-CZ3 3.97Å; V157-W200 HydrophobicContact CG2-CD2 3.86Å; V157-W200 VanDerWaalsContact CG2-CE2 3.49Å; V157-W200 HydrophobicContact CG2-CE3 4.2Å; V157-W200 HydrophobicContact CG2-CH2 3.97Å; V157-W200 HydrophobicContact CG2-CZ2 3.57Å; V157-W200 HydrophobicContact CG2-CZ3 4.25Å; Y158-W200 HydrophobicContact CD2-CH2 4.48Å; Y158-W200 HydrophobicContact CE2-CH2 4.06Å; Y158-W200 HydrophobicContact CE2-CZ3 4.17Å; F176-W200 HydrophobicContact CE1-CB 3.68Å; F176-W200 AromaticContact CE1-CG 3.97Å; F176-W200 HydrophobicContact CE1-CG 3.97Å; F176-W200 HydrophobicContact CZ-CB 3.86Å; F176-W200 HydrophobicContact CZ-CD2 4.12Å; F176-W200 HydrophobicContact CZ-CE3 4.41Å; F176-W200 AromaticContact CZ-CG 3.86Å; F176-W200 HydrophobicContact CZ-CG 3.86Å; L196-W200 WeakPolarHBondContact O-CB 3.43Å; L196-W200 PolarHBondContact O-N 2.88Å; Y197-W200 HydrophobicContact CD2-CE3 4.12Å; Y197-W200 HydrophobicContact CE2-CE3 4.06Å; Y197-W200 HydrophobicContact CE2-CZ3 4.16Å; Y197-W200 CarbonylContact O-C 3.51Å; Y197-W200 WeakPolarHBondContact O-CB 3.48Å; Y197-W200 PolarHBondContact O-N 2.96Å; R198-W200 VanDerWaalsContact C-N 3.29Å; R198-W200 PolarHBondContact O-N 3.5Å; W200-R202 PolarHBondContact O-N 3.33Å; W200-F203 CarbonylContact O-C 3.58Å; W200-F203 PolarHBondContact O-N 2.92Å; W200-S204 WeakPolarHBondContact O-CB 3.38Å; W200-S204 PolarHBondContact O-N 3.23Å; W200-I209 HydrophobicContact CD2-CD1 4.17Å; W200-I209 HydrophobicContact CG-CD1 4.17Å; W200-I209 HydrophobicContact CZ2-CD1 3.98Å
201	C	70.5	Confident	70.6	Confident	27 Å²	27	49.3 Å²	49.3	18%	0.182	25%	0.249	C	C	.	.	H	α-helix	trans	-57.5	-39.8	173.5	-73.6	0	0	0	0	110.8	Y197 R198 F203 S204 N205	Y197-C201 VanDerWaalsContact CE2-SG 3.57Å; Y197-C201 PolarHBondContact O-N 3.46Å; Y197-C201 PolarHBondContact O-SG 2.96Å; R198-C201 WeakPolarHBondContact O-CB 3.46Å; R198-C201 PolarHBondContact O-N 2.98Å; C201-F203 PolarHBondContact O-N 3.11Å; C201-S204 PolarHBondContact O-N 3.3Å; C201-N205 VanDerWaalsContact O-CB 3.25Å; C201-N205 WeakPolarHBondContact O-CB 3.44Å; C201-N205 PolarHBondContact O-N 3.29Å; C201-N205 PolarHBondContact O-ND2 3.08Å; C201-N205 PolarHBondContact O-OD1 3.19Å
202	R	64.8	Low	68.3	Low	157 Å²	157	56.3 Å²	56.3	59%	0.592	28%	0.279	S	S	*	.	H	α-helix	trans	-60.4	-45.3	175.3	-145	176.7	178	-179.6	0.3	111	R198 Q199 W200 C206	R198-R202 WeakPolarHBondContact O-CB 3.24Å; R198-R202 PolarHBondContact O-N 2.84Å; Q199-R202 VanDerWaalsContact O-CB 3.24Å; Q199-R202 WeakPolarHBondContact O-CB 3.39Å; Q199-R202 PolarHBondContact O-N 2.96Å; W200-R202 PolarHBondContact O-N 3.33Å; R202-C206 VanDerWaalsContact O-CB 3.31Å; R202-C206 WeakPolarHBondContact O-CB 3.49Å; R202-C206 PolarHBondContact O-N 3.06Å; R202-C206 PolarHBondContact O-SG 3.03Å
203	F	65.2	Low	65.9	Low	24 Å²	24	61 Å²	61	11%	0.105	31%	0.305	C	S	.	.	H	α-helix	trans	-68.2	-38.8	174.5	-68.4	-18.9	0	0	0	113.9	D146 I149 A150 Q199 W200 C201 C206 H207 C208 I209	D146-F203 HydrophobicContact CB-CE2 4Å; D146-F203 HydrophobicContact CB-CZ 3.69Å; D146-F203 VanDerWaalsContact CG-CZ 3.48Å; D146-F203 WeakPolarHBondContact O-CE2 3.36Å; D146-F203 VanDerWaalsContact OD1-CZ 3.29Å; D146-F203 WeakPolarHBondContact OD1-CZ 3.4Å; I149-F203 HydrophobicContact CB-CD2 4.29Å; I149-F203 HydrophobicContact CB-CE2 4.1Å; I149-F203 HydrophobicContact CG2-CD2 3.85Å; I149-F203 HydrophobicContact CG2-CE2 4.07Å; A150-F203 HydrophobicContact CB-CD2 4.02Å; A150-F203 HydrophobicContact CB-CE2 4.19Å; Q199-F203 HydrophobicContact CG-CE2 4.2Å; Q199-F203 HydrophobicContact CG-CZ 4.25Å; Q199-F203 PolarHBondContact O-N 3.39Å; W200-F203 CarbonylContact O-C 3.58Å; W200-F203 PolarHBondContact O-N 2.92Å; C201-F203 PolarHBondContact O-N 3.11Å; F203-C206 CarbonylContact O-C 3.5Å; F203-C206 PolarHBondContact O-N 3.09Å; F203-H207 PolarHBondContact O-N 2.93Å; F203-C208 HydrophobicContact CB-CB 4.1Å; F203-C208 HydrophobicContact CD1-CB 4.35Å; F203-C208 HydrophobicContact CG-CB 4.38Å; F203-C208 PolarHBondContact O-N 3.31Å; F203-I209 HydrophobicContact CB-CD1 4.15Å; F203-I209 HydrophobicContact CB-CG1 3.84Å
204	S	64.2	Low	63.2	Low	33 Å²	33	63.4 Å²	63.4	23%	0.231	34%	0.338	C	S	.	.	H	α-helix	trans	-61.2	-49.6	176	-177.6	0	0	0	0	110.6	W200 C201 C206 H207	W200-S204 WeakPolarHBondContact O-CB 3.38Å; W200-S204 PolarHBondContact O-N 3.23Å; C201-S204 PolarHBondContact O-N 3.3Å; S204-C206 VanDerWaalsContact C-N 3.26Å; S204-C206 PolarHBondContact O-N 3.08Å; S204-H207 PolarHBondContact O-N 3Å
205	N	60.3	Low	60.8	Low	119 Å²	119	68.7 Å²	68.7	64%	0.636	37%	0.371	S	S	*	.	H	α-helix	trans	-67.1	-27.7	178.5	-66.2	-9.4	0	0	0	112.2	C201 H207	C201-N205 VanDerWaalsContact O-CB 3.25Å; C201-N205 WeakPolarHBondContact O-CB 3.44Å; C201-N205 PolarHBondContact O-N 3.29Å; C201-N205 PolarHBondContact O-ND2 3.08Å; C201-N205 PolarHBondContact O-OD1 3.19Å; N205-H207 VanDerWaalsContact C-N 3.31Å
206	C	53.7	Low	58.3	Low	18 Å²	18	77.6 Å²	77.6	12%	0.122	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-0	173.1	-63.7	0	0	0	0	113.5	R202 F203 S204 C208 R444	R202-C206 VanDerWaalsContact O-CB 3.31Å; R202-C206 WeakPolarHBondContact O-CB 3.49Å; R202-C206 PolarHBondContact O-N 3.06Å; R202-C206 PolarHBondContact O-SG 3.03Å; F203-C206 CarbonylContact O-C 3.5Å; F203-C206 PolarHBondContact O-N 3.09Å; S204-C206 VanDerWaalsContact C-N 3.26Å; S204-C206 PolarHBondContact O-N 3.08Å; C206-C208 VanDerWaalsContact CB-SG 3.57Å; C206-C208 PolarHBondContact O-N 2.96Å; C206-R444 PolarHBondContact SG-NE 3.02Å
207	H	56.4	Low	55.7	Low	110 Å²	110	85.1 Å²	85.1	51%	0.509	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	32.3	-172.8	-56.7	-65.9	0	0	0	114.2	F203 S204 N205 I209 M451	F203-H207 PolarHBondContact O-N 2.93Å; S204-H207 PolarHBondContact O-N 3Å; N205-H207 VanDerWaalsContact C-N 3.31Å; H207-I209 VanDerWaalsContact C-N 3.28Å; H207-M451 PolarHBondContact NE2-SD 3.48Å
208	C	56.2	Low	53.2	Low	53 Å²	53	93 Å²	93	36%	0.358	48%	0.483	S	S	.	.			trans	-82.3	-7.7	175.9	-60.2	0	0	0	0	112.9	F203 C206	F203-C208 HydrophobicContact CB-CB 4.1Å; F203-C208 HydrophobicContact CD1-CB 4.35Å; F203-C208 HydrophobicContact CG-CB 4.38Å; F203-C208 PolarHBondContact O-N 3.31Å; C206-C208 VanDerWaalsContact CB-SG 3.57Å; C206-C208 PolarHBondContact O-N 2.96Å
209	I	60	Low	51.1	Low	22 Å²	22	95.3 Å²	95.3	11%	0.113	51%	0.509	C	S	.	.	S	Bend	trans	-91.4	116.3	179.2	-57.4	176.3	0	0	0	108.5	I152 W200 F203 H207 V211	I152-I209 VanDerWaalsContact O-CG2 3.22Å; I152-I209 WeakPolarHBondContact O-CG2 3.4Å; W200-I209 HydrophobicContact CD2-CD1 4.17Å; W200-I209 HydrophobicContact CG-CD1 4.17Å; W200-I209 HydrophobicContact CZ2-CD1 3.98Å; F203-I209 HydrophobicContact CB-CD1 4.15Å; F203-I209 HydrophobicContact CB-CG1 3.84Å; H207-I209 VanDerWaalsContact C-N 3.28Å; I209-V211 PolarHBondContact O-N 3.44Å
210	I	50.7	Low	48.9	Very low	138 Å²	138	100.4 Å²	100.4	71%	0.708	54%	0.536	S	S	*	.			trans	-73.8	111.9	178.1	-58	174	0	0	0	107.9	K212	I210-K212 PolarHBondContact O-N 2.85Å
211	V	48.6	Very low	46.4	Very low	111 Å²	111	104.8 Å²	104.8	67%	0.673	57%	0.565	S	S	*	*			trans	-63.6	99.2	170.4	-177.4	0	0	0	0	107.9	I209 D213	I209-V211 PolarHBondContact O-N 3.44Å; V211-D213 PolarHBondContact O-N 3.13Å
212	K	40.6	Very low	44.3	Very low	161 Å²	161	109.5 Å²	109.5	70%	0.7	59%	0.588	S	S	*	*			trans	-75	121.7	165.1	-70.8	-179.4	178.6	173.8	0	106.9	I210	I210-K212 PolarHBondContact O-N 2.85Å
213	D	34.8	Very low	42.5	Very low	143 Å²	143	112.4 Å²	112.4	77%	0.765	60%	0.601	S	S	*	*	S	Bend	trans	76.6	93.8	171.8	-53.6	-31.9	0	0	0	118.6	V211 V215	V211-D213 PolarHBondContact O-N 3.13Å; D213-V215 VanDerWaalsContact C-N 3.34Å; D213-V215 PolarHBondContact O-N 3.27Å
214	G	29.5	Very low	40.7	Very low	84 Å²	84	117.7 Å²	117.7	87%	0.866	63%	0.63	S	S	*	*				66.9	-3.9	119.1	0	0	0	0	0	122	K216	G214-K216 PolarHBondContact O-N 2.57Å
215	V	31.7	Very low	39.1	Very low	123 Å²	123	120.8 Å²	120.8	75%	0.745	66%	0.658	S	S	*	*			trans	-90.4	110.7	180	-173.7	0	0	0	0	110.6	D213 L217	D213-V215 VanDerWaalsContact C-N 3.34Å; D213-V215 PolarHBondContact O-N 3.27Å; V215-L217 PolarHBondContact O-N 2.8Å; V215-L217 VanDerWaalsContact O-N 3.1Å
216	K	30	Very low	37.5	Very low	190 Å²	190	120.7 Å²	120.7	83%	0.826	67%	0.667	S	S	*	*			trans	-52.3	116.4	166.6	-73.5	-178.3	176.3	-176.5	0	108.9	G214 K218	G214-K216 PolarHBondContact O-N 2.57Å; K216-K218 PolarHBondContact O-N 3.43Å
217	L	33.6	Very low	36.4	Very low	159 Å²	159	127.8 Å²	127.8	83%	0.832	70%	0.702	S	S	*	*			trans	-51.1	104.1	168.3	-80	151	0	0	0	108.8	V215	V215-L217 PolarHBondContact O-N 2.8Å; V215-L217 VanDerWaalsContact O-N 3.1Å
218	K	31.2	Very low	34.9	Very low	193 Å²	193	127.6 Å²	127.6	84%	0.839	71%	0.714	S	S	*	*			trans	-80.2	123.1	164.9	-76.1	-176.5	177.8	178.6	0	106.7	K216	K216-K218 PolarHBondContact O-N 3.43Å
219	S	31	Very low	33.8	Very low	111 Å²	111	131.5 Å²	131.5	78%	0.776	74%	0.736	S	S	*	*			trans	-28.4	130.3	173.9	52.1	0	0	0	0	114.7
220	I	32.5	Very low	32.3	Very low	127 Å²	127	135.9 Å²	135.9	65%	0.651	77%	0.768	S	S	*	*			trans	-59	138.6	166	-61.5	166.7	0	0	0	108.5	N222	I220-N222 PolarHBondContact O-N 3.39Å
221	P	28	Very low	31.7	Very low	97 Å²	97	134 Å²	134	63%	0.63	77%	0.767	S	S	*	*			trans	-71.4	121.3	176	-3.3	19	0	0	0	109.9	Y223	P221-Y223 PolarHBondContact O-N 3.19Å; P221-Y223 VanDerWaalsContact O-N 3.14Å
222	N	28.2	Very low	30.9	Very low	127 Å²	127	136 Å²	136	68%	0.679	77%	0.774	S	S	*	*			trans	-61.2	110	170.1	-82.5	-15	0	0	0	110.1	I220 N224	I220-N222 PolarHBondContact O-N 3.39Å; N222-N224 PolarHBondContact O-N 3.12Å; N222-N224 VanDerWaalsContact O-N 3.12Å
223	Y	26.8	Very low	30.8	Very low	218 Å²	218	135.3 Å²	135.3	86%	0.855	78%	0.783	S	S	*	*			trans	-82.2	70.1	163.7	-84.2	-86	0	0	0	109.5	P221	P221-Y223 PolarHBondContact O-N 3.19Å; P221-Y223 VanDerWaalsContact O-N 3.14Å
224	N	27.3	Very low	30.6	Very low	135 Å²	135	137.5 Å²	137.5	72%	0.722	79%	0.786	S	S	*	*			trans	-141.9	100.6	165.3	-81	-24	0	0	0	107	N222	N222-N224 PolarHBondContact O-N 3.12Å; N222-N224 VanDerWaalsContact O-N 3.12Å
225	A	29.7	Very low	30.8	Very low	98 Å²	98	139.2 Å²	139.2	81%	0.81	78%	0.78	S	S	*	*			trans	159.4	93.1	146.8	0	0	0	0	0	111.3
226	S	26.7	Very low	30.8	Very low	117 Å²	117	139.6 Å²	139.6	82%	0.818	78%	0.782	S	S	*	*			trans	-92.8	85.8	140.7	55	0	0	0	0	107.3
227	L	30.4	Very low	30.8	Very low	166 Å²	166	133.8 Å²	133.8	87%	0.869	78%	0.776	S	S	*	*			trans	-169.5	114.9	147.4	-127	68.4	0	0	0	110.1
228	S	25.6	Very low	30.8	Very low	107 Å²	107	133.3 Å²	133.3	75%	0.748	78%	0.78	S	S	*	*			trans	-78	134.7	178.5	47	0	0	0	0	112.7
229	T	33.3	Very low	30.7	Very low	135 Å²	135	128.9 Å²	128.9	83%	0.828	77%	0.774	S	S	*	*			trans	-179.4	105	140.3	43.4	0	0	0	0	107.9
230	S	28.6	Very low	30.8	Very low	114 Å²	114	129.7 Å²	129.7	80%	0.797	77%	0.774	S	S	*	*				50.1	123.1	100.6	176.7	0	0	0	0	113.1
231	S	38.2	Very low	30.7	Very low	97 Å²	97	129.5 Å²	129.5	68%	0.678	78%	0.779	S	S	*	*			cis	-170.3	147.7	27	40.6	0	0	0	0	110.8
232	D	32.1	Very low	30.6	Very low	154 Å²	154	129.2 Å²	129.2	82%	0.824	79%	0.785	S	S	*	*			trans	36.2	125.4	145.5	-62.7	-41.8	0	0	0	122.2
233	V	37.1	Very low	30.8	Very low	146 Å²	146	131.3 Å²	131.3	89%	0.885	79%	0.794	S	S	*	*				-166.5	126.2	118.9	163.4	0	0	0	0	110.4
234	K	30.8	Very low	30.8	Very low	189 Å²	189	129.9 Å²	129.9	82%	0.822	79%	0.792	S	S	*	*			trans	-71.3	157.6	168.2	-83.9	169.4	170.9	170.2	0	111.4
235	T	33.6	Very low	31	Very low	121 Å²	121	131 Å²	131	74%	0.742	80%	0.798	S	S	*	*				166.1	116	117.2	-69.5	0	0	0	0	112.7
236	T	32.1	Very low	30.8	Very low	130 Å²	130	136.4 Å²	136.4	80%	0.798	80%	0.797	S	S	*	*			trans	40.1	128.1	146.1	66.2	0	0	0	0	119.8
237	G	29.5	Very low	30.8	Very low	68 Å²	68	136.3 Å²	136.3	70%	0.701	79%	0.788	S	S	*	*			cis	112.4	121.9	37.7	0	0	0	0	0	108.8
238	T	34	Very low	30.6	Very low	149 Å²	149	133.5 Å²	133.5	91%	0.914	78%	0.782	S	S	*	*			trans	-174.8	126.2	146.2	-70.7	0	0	0	0	110.3
239	S	28.4	Very low	30.7	Very low	100 Å²	100	136.2 Å²	136.2	70%	0.699	79%	0.786	S	S	*	*			trans	-76.9	159.3	174.4	168.7	0	0	0	0	111.5
240	V	33.1	Very low	30.3	Very low	129 Å²	129	134.2 Å²	134.2	78%	0.782	78%	0.778	S	S	*	*			trans	-171.7	109.6	132.8	158.8	0	0	0	0	111.7
241	T	31.8	Very low	30.1	Very low	123 Å²	123	136.5 Å²	136.5	76%	0.755	78%	0.78	S	S	*	*			trans	51.2	126.8	142.7	57.3	0	0	0	0	124.8
242	A	25.2	Very low	29.5	Very low	91 Å²	91	139.6 Å²	139.6	75%	0.752	79%	0.789	S	S	*	*			trans	-80.7	150.9	161.6	0	0	0	0	0	113.3
243	I	31.5	Very low	29.2	Very low	170 Å²	170	141.4 Å²	141.4	87%	0.872	79%	0.789	S	S	*	*			trans	-121.4	122.9	160.3	-63.4	176	0	0	0	108.1
244	K	28.4	Very low	28.6	Very low	189 Å²	189	141.3 Å²	141.3	82%	0.822	78%	0.784	S	S	*	*			trans	-104.6	135.8	168.2	-72.3	178.4	175	178.7	0	108.3
245	N	30.2	Very low	28.4	Very low	158 Å²	158	138 Å²	138	85%	0.845	78%	0.779	S	S	*	*			trans	-173	113	146	-99.7	-18.9	0	0	0	107.9
246	R	26.5	Very low	27.9	Very low	211 Å²	211	139.4 Å²	139.4	80%	0.796	78%	0.782	S	S	*	*				76.2	123.5	71.1	-119.6	-162.2	155	153.1	1.5	114.9
247	D	26.5	Very low	27.7	Very low	115 Å²	115	142.5 Å²	142.5	62%	0.615	78%	0.781	S	S	*	*			trans	83.5	108	149	-55	-28.7	0	0	0	121.2
248	S	25.3	Very low	27.5	Very low	107 Å²	107	144.4 Å²	144.4	75%	0.748	78%	0.783	S	S	*	*				59.9	97	118.6	-45.5	0	0	0	0	119.9
249	I	28.4	Very low	27.2	Very low	164 Å²	164	144 Å²	144	84%	0.841	78%	0.775	S	S	*	*			trans	-143.4	108.5	149.9	-64	-170.5	0	0	0	111.3
250	S	24	Very low	27.1	Very low	94 Å²	94	144.9 Å²	144.9	66%	0.657	78%	0.781	S	S	*	*			trans	-56	142.6	149.6	50.1	0	0	0	0	112.3
251	L	26	Very low	26.8	Very low	161 Å²	161	145.7 Å²	145.7	84%	0.843	78%	0.78	S	S	*	*			trans	141.6	120.4	137.5	-77.6	158.5	0	0	0	112.7	K253	L251-K253 PolarHBondContact O-N 3.27Å
252	L	25.4	Very low	26.6	Very low	163 Å²	163	144.2 Å²	144.2	85%	0.853	78%	0.78	S	S	*	*			trans	-36.5	126.4	150.1	-80	140.9	0	0	0	111.3
253	K	25.2	Very low	26.7	Very low	192 Å²	192	147.4 Å²	147.4	84%	0.835	78%	0.784	S	S	*	*			trans	-177.1	134.1	133.2	-102.1	162.1	-175.2	-177.5	0	112.3	L251	L251-K253 PolarHBondContact O-N 3.27Å
254	N	24.3	Very low	26.5	Very low	144 Å²	144	143.2 Å²	143.2	77%	0.77	78%	0.782	S	S	*	*			trans	65.6	95.8	149.7	-67.6	-3.9	0	0	0	118.6
255	V	27.6	Very low	26.5	Very low	119 Å²	119	138 Å²	138	72%	0.721	78%	0.783	S	S	*	*			trans	-126.6	94.9	144.9	-177.5	0	0	0	0	108.4	Y257	V255-Y257 HydrophobicContact CG1-CD2 3.23Å; V255-Y257 HydrophobicContact CG1-CE2 3.36Å; V255-Y257 HydrophobicContact CG1-CG 4.36Å
256	N	23.5	Very low	26.7	Very low	150 Å²	150	134.7 Å²	134.7	80%	0.802	77%	0.765	S	S	*	*			trans	-76.3	113	159.3	-87.4	-17.7	0	0	0	107.6
257	Y	27.9	Very low	27.2	Very low	196 Å²	196	131.2 Å²	131.2	77%	0.769	77%	0.77	S	S	*	*			trans	-121.3	85.1	153.7	-80	-71.1	0	0	0	108.2	V255 N259	V255-Y257 HydrophobicContact CG1-CD2 3.23Å; V255-Y257 HydrophobicContact CG1-CE2 3.36Å; V255-Y257 HydrophobicContact CG1-CG 4.36Å; Y257-N259 VanDerWaalsContact C-N 3.27Å; Y257-N259 PolarHBondContact O-N 2.95Å; Y257-N259 VanDerWaalsContact O-N 3.08Å
258	S	24.6	Very low	28.2	Very low	108 Å²	108	131.8 Å²	131.8	76%	0.755	77%	0.768	S	S	*	*			trans	-60.4	95.7	146.8	47	0	0	0	0	107.5
259	N	27.9	Very low	29.2	Very low	140 Å²	140	131.1 Å²	131.1	75%	0.749	76%	0.764	S	S	*	*			trans	-156.5	120	156.4	-95.8	-20.4	0	0	0	109	Y257 I261	Y257-N259 VanDerWaalsContact C-N 3.27Å; Y257-N259 PolarHBondContact O-N 2.95Å; Y257-N259 VanDerWaalsContact O-N 3.08Å; N259-I261 PolarHBondContact O-N 3.48Å
260	S	25.2	Very low	30.3	Very low	118 Å²	118	125.2 Å²	125.2	83%	0.825	73%	0.732	S	S	*	*			trans	-44.4	116.4	175.5	-177.5	0	0	0	0	112.2
261	I	28.3	Very low	31.8	Very low	147 Å²	147	123.2 Å²	123.2	75%	0.754	72%	0.718	S	S	*	*			trans	-111.8	94.3	159.2	-60.6	177.1	0	0	0	105.9	N259 L263	N259-I261 PolarHBondContact O-N 3.48Å; I261-L263 HydrophobicContact CG2-CD1 4.3Å; I261-L263 HydrophobicContact CG2-CG 4.08Å; I261-L263 PolarHBondContact O-N 3.19Å; I261-L263 VanDerWaalsContact O-N 3.11Å
262	A	26.8	Very low	33.3	Very low	92 Å²	92	119.7 Å²	119.7	76%	0.76	70%	0.7	S	S	*	*			trans	-66	102.5	167.1	0	0	0	0	0	108.9
263	L	27.9	Very low	35.2	Very low	158 Å²	158	116.2 Å²	116.2	83%	0.827	69%	0.686	S	S	*	*			trans	-109	99	157.3	-73.1	167.8	0	0	0	106.2	I261	I261-L263 HydrophobicContact CG2-CD1 4.3Å; I261-L263 HydrophobicContact CG2-CG 4.08Å; I261-L263 PolarHBondContact O-N 3.19Å; I261-L263 VanDerWaalsContact O-N 3.11Å
264	G	27.7	Very low	37	Very low	81 Å²	81	111.3 Å²	111.3	84%	0.835	67%	0.666	S	S	*	*			trans	-57.2	159.4	173	0	0	0	0	0	111.9
265	G	27.7	Very low	39.1	Very low	81 Å²	81	104.7 Å²	104.7	84%	0.835	63%	0.631	S	S	*	*			cis	141.7	104.3	12.9	0	0	0	0	0	107.3
266	D	33.4	Very low	41.2	Very low	87 Å²	87	101.3 Å²	101.3	47%	0.465	61%	0.608	S	S	.	*			trans	-156.4	127.2	164.8	175.2	2.6	0	0	0	108.1	Q268 S269	D266-Q268 PolarHBondContact O-N 3.03Å; D266-Q268 PolarHBondContact OD1-N 2.74Å; D266-S269 WeakPolarHBondContact O-CB 3.32Å; D266-S269 PolarHBondContact O-N 3.2Å; D266-S269 VanDerWaalsContact O-N 3.14Å
267	P	38.3	Very low	43.7	Very low	139 Å²	139	98.1 Å²	98.1	90%	0.903	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57	-2.9	172.2	22.1	-32.3	0	0	0	116
268	Q	46.2	Very low	45.8	Very low	126 Å²	126	91.3 Å²	91.3	59%	0.589	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	13.6	172.7	-78.1	147.3	25.5	0	0	115.6	D266 F270	D266-Q268 PolarHBondContact O-N 3.03Å; D266-Q268 PolarHBondContact OD1-N 2.74Å; Q268-F270 VanDerWaalsContact C-N 3.34Å; Q268-F270 PolarHBondContact O-N 2.73Å
269	S	46.8	Very low	48.2	Very low	93 Å²	93	89 Å²	89	65%	0.65	54%	0.543	S	S	*	.			trans	-74	74.8	-179.3	174.7	0	0	0	0	113.9	D266	D266-S269 WeakPolarHBondContact O-CB 3.32Å; D266-S269 PolarHBondContact O-N 3.2Å; D266-S269 VanDerWaalsContact O-N 3.14Å
270	F	50.9	Low	50.8	Low	40 Å²	40	82.7 Å²	82.7	18%	0.175	51%	0.51	C	S	.	.			trans	-71.2	134.5	166.9	-104.3	-103.5	0	0	0	111.3	Q268 E274 L275 E278 R428	Q268-F270 VanDerWaalsContact C-N 3.34Å; Q268-F270 PolarHBondContact O-N 2.73Å; F270-E274 HydrophobicContact CD1-CB 3.81Å; F270-E274 HydrophobicContact CD1-CG 3.59Å; F270-E274 WeakPolarHBondContact CD1-OE2 3.48Å; F270-E274 HydrophobicContact CE1-CB 4.13Å; F270-E274 HydrophobicContact CE1-CG 3.43Å; F270-E274 VanDerWaalsContact CE1-CG 3.43Å; F270-E274 WeakPolarHBondContact CE1-OE1 3.25Å; F270-E274 HydrophobicContact CZ-CG 4.32Å; F270-E274 WeakPolarHBondContact CZ-OE1 3.14Å; F270-L275 HydrophobicContact CB-CD1 4.33Å; F270-L275 HydrophobicContact CB-CG 4.39Å; F270-L275 HydrophobicContact CD1-CD2 4.19Å; F270-L275 HydrophobicContact CD1-CG 3.81Å; F270-L275 HydrophobicContact CG-CG 4.43Å; F270-E278 WeakPolarHBondContact CE1-OE2 3.45Å; F270-R428 PolarHBondContact O-NH1 3.13Å; F270-R428 VanDerWaalsContact O-NH1 3.13Å; F270-R428 PolarHBondContact O-NH2 3.48Å
271	S	56.1	Low	53.6	Low	53 Å²	53	79.3 Å²	79.3	37%	0.371	48%	0.484	S	S	.	.			trans	-80.2	148.9	170.7	73.3	0	0	0	0	110.9	T273 E274 L275	S271-T273 PolarHBondContact O-N 2.92Å; S271-T273 PolarHBondContact OG-OG1 3.14Å; S271-E274 WeakPolarHBondContact O-CB 3.43Å; S271-E274 PolarHBondContact O-N 3.14Å; S271-E274 WeakPolarHBondContact OG-CB 3.29Å; S271-E274 PolarHBondContact OG-N 3.02Å; S271-L275 PolarHBondContact O-N 2.99Å
272	D	57.6	Low	56	Low	86 Å²	86	74.5 Å²	74.5	46%	0.46	46%	0.462	S	S	.	.	H	α-helix	trans	-58.6	-32.8	-179.6	-61.9	-4.1	0	0	0	111.4	E274 L276 H425 R428	D272-E274 PolarHBondContact O-N 3.41Å; D272-L276 WeakPolarHBondContact O-CD1 3.44Å; D272-L276 WeakPolarHBondContact O-CG 3.34Å; D272-L276 PolarHBondContact O-N 3.21Å; D272-H425 IonicContact OD1-CD2 2.69Å; D272-H425 PolarHBondContact OD1-CD2 3.28Å; D272-H425 IonicContact OD1-NE2 3.25Å; D272-H425 PolarHBondContact OD1-NE2 3.05Å; D272-R428 IonicContact OD1-CZ 3.2Å; D272-R428 IonicContact OD1-NH2 3.03Å; D272-R428 PolarHBondContact OD1-NH2 3.23Å
273	T	65.5	Low	58.6	Low	91 Å²	91	74.7 Å²	74.7	56%	0.558	45%	0.45	S	S	*	.	H	α-helix	trans	-63.9	-36.3	174.1	34.5	0	0	0	0	113.9	S271 L277	S271-T273 PolarHBondContact O-N 2.92Å; S271-T273 PolarHBondContact OG-OG1 3.14Å; T273-L277 WeakPolarHBondContact O-CB 3.08Å; T273-L277 PolarHBondContact O-N 3.07Å
274	E	63.2	Low	61.3	Low	89 Å²	89	67.4 Å²	67.4	42%	0.416	41%	0.413	S	S	.	.	H	α-helix	trans	-72.7	-41.1	-176.8	-169.5	-177	-177.9	0	0	111.3	F270 S271 D272 L277 E278	F270-E274 HydrophobicContact CD1-CB 3.81Å; F270-E274 HydrophobicContact CD1-CG 3.59Å; F270-E274 WeakPolarHBondContact CD1-OE2 3.48Å; F270-E274 HydrophobicContact CE1-CB 4.13Å; F270-E274 HydrophobicContact CE1-CG 3.43Å; F270-E274 VanDerWaalsContact CE1-CG 3.43Å; F270-E274 WeakPolarHBondContact CE1-OE1 3.25Å; F270-E274 HydrophobicContact CZ-CG 4.32Å; F270-E274 WeakPolarHBondContact CZ-OE1 3.14Å; S271-E274 WeakPolarHBondContact O-CB 3.43Å; S271-E274 PolarHBondContact O-N 3.14Å; S271-E274 WeakPolarHBondContact OG-CB 3.29Å; S271-E274 PolarHBondContact OG-N 3.02Å; D272-E274 PolarHBondContact O-N 3.41Å; E274-L277 WeakPolarHBondContact O-CB 3.45Å; E274-L277 PolarHBondContact O-N 3.44Å; E274-E278 WeakPolarHBondContact O-CB 3.34Å; E274-E278 PolarHBondContact O-N 3.35Å
275	L	67.9	Low	64.1	Low	5 Å²	5	67.3 Å²	67.3	3%	0.026	40%	0.395	C	S	.	.	H	α-helix	trans	-63.7	-43.1	173.9	-81	161.8	0	0	0	112.4	F270 S271 L277 E278 E279 R421 L422 H425	F270-L275 HydrophobicContact CB-CD1 4.33Å; F270-L275 HydrophobicContact CB-CG 4.39Å; F270-L275 HydrophobicContact CD1-CD2 4.19Å; F270-L275 HydrophobicContact CD1-CG 3.81Å; F270-L275 HydrophobicContact CG-CG 4.43Å; S271-L275 PolarHBondContact O-N 2.99Å; L275-L277 VanDerWaalsContact C-N 3.26Å; L275-L277 PolarHBondContact O-N 3.39Å; L275-E278 PolarHBondContact O-N 3.25Å; L275-E279 VanDerWaalsContact O-CB 3.3Å; L275-E279 WeakPolarHBondContact O-CB 3.42Å; L275-E279 PolarHBondContact O-N 3.1Å; L275-R421 HydrophobicContact CD2-CB 4.05Å; L275-L422 HydrophobicContact CD2-CD2 4.31Å; L275-L422 HydrophobicContact CD2-CG 4.48Å; L275-H425 HydrophobicContact CD1-CB 3.34Å; L275-H425 WeakPolarHBondContact CD1-CD2 3.47Å; L275-H425 VanDerWaalsContact CD1-CG 3.41Å
276	L	71.4	Confident	66.8	Low	48 Å²	48	72 Å²	72	25%	0.251	39%	0.393	S	S	.	.	H	α-helix	trans	-63.9	-36	177.2	-68.9	171.6	0	0	0	111.4	D272 T280 Y310 F313	D272-L276 WeakPolarHBondContact O-CD1 3.44Å; D272-L276 WeakPolarHBondContact O-CG 3.34Å; D272-L276 PolarHBondContact O-N 3.21Å; L276-T280 VanDerWaalsContact O-CB 3.26Å; L276-T280 WeakPolarHBondContact O-CB 3.08Å; L276-T280 PolarHBondContact O-N 2.66Å; L276-T280 VanDerWaalsContact O-N 3.08Å; L276-T280 PolarHBondContact O-OG1 3.16Å; L276-Y310 HydrophobicContact CB-CE2 4.03Å; L276-Y310 HydrophobicContact CD1-CD2 4.08Å; L276-Y310 HydrophobicContact CD1-CE2 3.75Å; L276-Y310 HydrophobicContact CD2-CE2 3.61Å; L276-Y310 HydrophobicContact CG-CE2 3.98Å; L276-F313 HydrophobicContact CB-CE1 4.12Å
277	L	76.8	Confident	69.3	Low	82 Å²	82	69.2 Å²	69.2	43%	0.429	38%	0.382	S	S	.	.	H	α-helix	trans	-65.8	-51	173.7	-167.8	138.4	0	0	0	110.7	T273 E274 L275 E279 T280 V281 F313	T273-L277 WeakPolarHBondContact O-CB 3.08Å; T273-L277 PolarHBondContact O-N 3.07Å; E274-L277 WeakPolarHBondContact O-CB 3.45Å; E274-L277 PolarHBondContact O-N 3.44Å; L275-L277 VanDerWaalsContact C-N 3.26Å; L275-L277 PolarHBondContact O-N 3.39Å; L277-E279 PolarHBondContact O-N 3.48Å; L277-T280 PolarHBondContact O-N 2.87Å; L277-V281 HydrophobicContact CD2-CG2 4.12Å; L277-V281 HydrophobicContact CG-CG2 4.48Å; L277-V281 WeakPolarHBondContact O-CB 3.4Å; L277-V281 VanDerWaalsContact O-CG2 3.23Å; L277-V281 WeakPolarHBondContact O-CG2 3.49Å; L277-V281 PolarHBondContact O-N 3.11Å; L277-F313 HydrophobicContact CB-CZ 4Å; L277-F313 HydrophobicContact CD1-CZ 4.17Å; L277-F313 HydrophobicContact CG-CZ 4.42Å
278	E	71.9	Confident	71.5	Confident	54 Å²	54	63.5 Å²	63.5	25%	0.252	35%	0.349	S	S	.	.	H	α-helix	trans	-61	-45.1	-179.2	-164	176.8	-174.7	0	0	111.8	F270 E274 L275 V281 T282 L418 R421	F270-E278 WeakPolarHBondContact CE1-OE2 3.45Å; E274-E278 WeakPolarHBondContact O-CB 3.34Å; E274-E278 PolarHBondContact O-N 3.35Å; L275-E278 PolarHBondContact O-N 3.25Å; E278-V281 PolarHBondContact O-N 3.01Å; E278-T282 WeakPolarHBondContact O-CB 3.42Å; E278-T282 PolarHBondContact O-N 2.66Å; E278-T282 PolarHBondContact O-OG1 2.91Å; E278-L418 HydrophobicContact CB-CD1 4.24Å; E278-L418 VanDerWaalsContact CD-CD1 3.47Å; E278-L418 HydrophobicContact CG-CD1 3.7Å; E278-R421 IonicContact OE1-NH1 3.99Å; E278-R421 IonicContact OE2-NH1 3.36Å
279	E	75.3	Confident	73.5	Confident	59 Å²	59	59.4 Å²	59.4	28%	0.276	33%	0.331	S	S	.	.	H	α-helix	trans	-60.5	-47.2	175	178.7	176	-163.8	0	0	111.7	L275 L277 V281 T282 N283	L275-E279 VanDerWaalsContact O-CB 3.3Å; L275-E279 WeakPolarHBondContact O-CB 3.42Å; L275-E279 PolarHBondContact O-N 3.1Å; L277-E279 PolarHBondContact O-N 3.48Å; E279-V281 PolarHBondContact O-N 2.83Å; E279-T282 PolarHBondContact O-N 3.4Å; E279-N283 WeakPolarHBondContact O-CB 3.16Å; E279-N283 VanDerWaalsContact O-CG 3.28Å; E279-N283 PolarHBondContact O-N 3.3Å; E279-N283 PolarHBondContact O-ND2 3.23Å; E279-N283 VanDerWaalsContact O-ND2 3.15Å
280	T	81.9	Confident	75.3	Confident	8 Å²	8	60 Å²	60	5%	0.049	33%	0.332	C	S	.	.	H	α-helix	trans	-66.3	-40.1	-178.6	-55.4	0	0	0	0	111.2	L276 L277 A284 Q314 V317 T318	L276-T280 VanDerWaalsContact O-CB 3.26Å; L276-T280 WeakPolarHBondContact O-CB 3.08Å; L276-T280 PolarHBondContact O-N 2.66Å; L276-T280 VanDerWaalsContact O-N 3.08Å; L276-T280 PolarHBondContact O-OG1 3.16Å; L277-T280 PolarHBondContact O-N 2.87Å; T280-A284 VanDerWaalsContact O-CB 3.31Å; T280-A284 WeakPolarHBondContact O-CB 3.41Å; T280-A284 PolarHBondContact O-N 3.29Å; T280-Q314 HydrophobicContact CG2-CB 4.36Å; T280-Q314 HydrophobicContact CG2-CG 4.42Å; T280-V317 HydrophobicContact CG2-CB 3.87Å; T280-V317 HydrophobicContact CG2-CG1 3.68Å; T280-T318 HydrophobicContact CG2-CG2 3.78Å
281	V	83.3	Confident	77	Confident	46 Å²	46	64 Å²	64	28%	0.279	35%	0.349	S	S	.	.	H	α-helix	trans	-64.5	-50.1	176.4	170.8	0	0	0	0	110.7	L277 E278 E279 N283 A284 V285 V317 V321	L277-V281 HydrophobicContact CD2-CG2 4.12Å; L277-V281 HydrophobicContact CG-CG2 4.48Å; L277-V281 WeakPolarHBondContact O-CB 3.4Å; L277-V281 VanDerWaalsContact O-CG2 3.23Å; L277-V281 WeakPolarHBondContact O-CG2 3.49Å; L277-V281 PolarHBondContact O-N 3.11Å; E278-V281 PolarHBondContact O-N 3.01Å; E279-V281 PolarHBondContact O-N 2.83Å; V281-N283 VanDerWaalsContact C-N 3.32Å; V281-N283 PolarHBondContact O-N 3.29Å; V281-A284 PolarHBondContact O-N 3.42Å; V281-A284 VanDerWaalsContact O-N 3.14Å; V281-V285 HydrophobicContact CG1-CG2 4.12Å; V281-V285 WeakPolarHBondContact O-CB 3.41Å; V281-V285 WeakPolarHBondContact O-CG2 3.5Å; V281-V285 PolarHBondContact O-N 3.26Å; V281-V317 HydrophobicContact CG2-CG1 3.61Å; V281-V321 HydrophobicContact CB-CG2 4.31Å; V281-V321 HydrophobicContact CG1-CG2 4.15Å; V281-V321 HydrophobicContact CG2-CG2 3.92Å
282	T	78.4	Confident	78.5	Confident	47 Å²	47	62.1 Å²	62.1	29%	0.288	34%	0.335	S	S	.	.	H	α-helix	trans	-58.5	-44.6	-179.6	-59.9	0	0	0	0	111.4	E278 E279 A284 V285 F286 L418	E278-T282 WeakPolarHBondContact O-CB 3.42Å; E278-T282 PolarHBondContact O-N 2.66Å; E278-T282 PolarHBondContact O-OG1 2.91Å; E279-T282 PolarHBondContact O-N 3.4Å; T282-A284 PolarHBondContact O-N 2.88Å; T282-V285 PolarHBondContact O-N 3.32Å; T282-F286 VanDerWaalsContact O-CB 3.23Å; T282-F286 WeakPolarHBondContact O-CB 3.43Å; T282-F286 PolarHBondContact O-N 3.5Å; T282-L418 HydrophobicContact CG2-CD2 3.99Å
283	N	82.4	Confident	80	Confident	96 Å²	96	61.1 Å²	61.1	51%	0.513	33%	0.332	S	S	.	.	H	α-helix	trans	-64.1	-40.8	176.8	-73.4	-30.6	0	0	0	112.6	E279 V281 A287	E279-N283 WeakPolarHBondContact O-CB 3.16Å; E279-N283 VanDerWaalsContact O-CG 3.28Å; E279-N283 PolarHBondContact O-N 3.3Å; E279-N283 PolarHBondContact O-ND2 3.23Å; E279-N283 VanDerWaalsContact O-ND2 3.15Å; V281-N283 VanDerWaalsContact C-N 3.32Å; V281-N283 PolarHBondContact O-N 3.29Å; N283-A287 WeakPolarHBondContact O-CB 3.27Å; N283-A287 PolarHBondContact O-N 2.89Å
284	A	85.5	Confident	81.1	Confident	5 Å²	5	61.3 Å²	61.3	4%	0.041	33%	0.327	C	S	.	.	H	α-helix	trans	-67.9	-44.7	178.5	0	0	0	0	0	112	T280 V281 T282 A287 G288 L292 T318 V321	T280-A284 VanDerWaalsContact O-CB 3.31Å; T280-A284 WeakPolarHBondContact O-CB 3.41Å; T280-A284 PolarHBondContact O-N 3.29Å; V281-A284 PolarHBondContact O-N 3.42Å; V281-A284 VanDerWaalsContact O-N 3.14Å; T282-A284 PolarHBondContact O-N 2.88Å; A284-A287 PolarHBondContact O-N 3.09Å; A284-G288 PolarHBondContact O-N 3.21Å; A284-L292 HydrophobicContact CB-CD1 4.48Å; A284-L292 WeakPolarHBondContact O-CD1 3.46Å; A284-T318 HydrophobicContact CB-CG2 4.19Å; A284-V321 HydrophobicContact CB-CB 4.01Å; A284-V321 HydrophobicContact CB-CG1 3.73Å; A284-V321 HydrophobicContact CB-CG2 4.24Å
285	V	85.1	Confident	82.1	Confident	78 Å²	78	61.9 Å²	61.9	47%	0.473	34%	0.338	S	S	.	.	H	α-helix	trans	-61.9	-45.1	175.8	173.3	0	0	0	0	110.4	V281 T282 A287 G288 V321	V281-V285 HydrophobicContact CG1-CG2 4.12Å; V281-V285 WeakPolarHBondContact O-CB 3.41Å; V281-V285 WeakPolarHBondContact O-CG2 3.5Å; V281-V285 PolarHBondContact O-N 3.26Å; T282-V285 PolarHBondContact O-N 3.32Å; V285-A287 VanDerWaalsContact C-N 3.31Å; V285-A287 PolarHBondContact O-N 3.47Å; V285-G288 PolarHBondContact O-N 3.09Å; V285-G288 VanDerWaalsContact O-N 3.12Å; V285-V321 HydrophobicContact CG2-CG1 3.79Å
286	F	83.9	Confident	82.8	Confident	180 Å²	180	64.7 Å²	64.7	79%	0.789	36%	0.358	S	S	*	.	H	α-helix	trans	-63.6	-34.5	177.7	-172.7	-94.8	0	0	0	113	T282 G288	T282-F286 VanDerWaalsContact O-CB 3.23Å; T282-F286 WeakPolarHBondContact O-CB 3.43Å; T282-F286 PolarHBondContact O-N 3.5Å; F286-G288 VanDerWaalsContact C-N 3.28Å; F286-G288 PolarHBondContact O-N 3.39Å
287	A	85.9	Confident	83.5	Confident	28 Å²	28	64.2 Å²	64.2	23%	0.231	36%	0.359	C	S	.	.	H	α-helix	trans	-65	-33.5	174.8	0	0	0	0	0	112.3	N283 A284 V285 K291 L292	N283-A287 WeakPolarHBondContact O-CB 3.27Å; N283-A287 PolarHBondContact O-N 2.89Å; A284-A287 PolarHBondContact O-N 3.09Å; V285-A287 VanDerWaalsContact C-N 3.31Å; V285-A287 PolarHBondContact O-N 3.47Å; A287-K291 HydrophobicContact CB-CB 4.13Å; A287-K291 HydrophobicContact CB-CD 4.33Å; A287-K291 WeakPolarHBondContact O-CB 3.44Å; A287-K291 WeakPolarHBondContact O-CD 3.34Å; A287-K291 WeakPolarHBondContact O-CG 3.46Å; A287-L292 HydrophobicContact CB-CD2 4.39Å; A287-L292 HydrophobicContact CB-CG 4.35Å
288	G	85.8	Confident	84	Confident	20 Å²	20	62.3 Å²	62.3	21%	0.206	35%	0.351	C	S	.	.	H	α-helix	trans	70.8	170.1	179.5	0	0	0	0	0	114.2	A284 V285 F286 P290 K291 L292	A284-G288 PolarHBondContact O-N 3.21Å; V285-G288 PolarHBondContact O-N 3.09Å; V285-G288 VanDerWaalsContact O-N 3.12Å; F286-G288 VanDerWaalsContact C-N 3.28Å; F286-G288 PolarHBondContact O-N 3.39Å; G288-P290 VanDerWaalsContact C-CD 3.47Å; G288-K291 PolarHBondContact O-N 3.49Å; G288-L292 WeakPolarHBondContact O-CG 3.37Å; G288-L292 PolarHBondContact O-N 2.84Å; G288-L292 VanDerWaalsContact O-N 3.14Å
289	I	87.4	Confident	84.7	Confident	40 Å²	40	63.3 Å²	63.3	21%	0.205	36%	0.364	C	S	.	.	H	α-helix	trans	-54.6	-44.9	-177.7	-59.1	173.7	0	0	0	112.7	K291 L292 T293 L325 L326 Y329	I289-K291 PolarHBondContact O-N 2.78Å; I289-L292 PolarHBondContact O-N 3Å; I289-T293 HydrophobicContact CG2-CG2 3.9Å; I289-T293 WeakPolarHBondContact O-CB 3.21Å; I289-T293 WeakPolarHBondContact O-CG2 3.23Å; I289-T293 PolarHBondContact O-N 3.22Å; I289-T293 PolarHBondContact O-OG1 3.2Å; I289-L325 HydrophobicContact CD1-CB 4.07Å; I289-L325 HydrophobicContact CG1-CB 3.79Å; I289-L325 HydrophobicContact CG1-CD1 4.39Å; I289-L326 HydrophobicContact CD1-CD2 4.47Å; I289-L326 HydrophobicContact CG2-CD2 3.95Å; I289-Y329 HydrophobicContact CD1-CD2 4.23Å; I289-Y329 HydrophobicContact CD1-CG 4.13Å
290	P	85.8	Confident	85.2	Confident	104 Å²	104	69.6 Å²	69.6	68%	0.675	39%	0.385	S	S	*	.	H	α-helix	trans	-60.9	-41.5	-175.7	-25	35.3	0	0	0	113.8	G288 T293 E294	G288-P290 VanDerWaalsContact C-CD 3.47Å; P290-T293 PolarHBondContact O-OG1 3.35Å; P290-E294 PolarHBondContact O-N 3.03Å
291	K	85.7	Confident	85.6	Confident	124 Å²	124	70 Å²	70	54%	0.539	39%	0.385	S	S	.	.	H	α-helix	trans	-76.2	-36.5	178.9	-67.9	-173.6	177.2	177	0	112.2	A287 G288 I289 T293 E294 S297	A287-K291 HydrophobicContact CB-CB 4.13Å; A287-K291 HydrophobicContact CB-CD 4.33Å; A287-K291 WeakPolarHBondContact O-CB 3.44Å; A287-K291 WeakPolarHBondContact O-CD 3.34Å; A287-K291 WeakPolarHBondContact O-CG 3.46Å; G288-K291 PolarHBondContact O-N 3.49Å; I289-K291 PolarHBondContact O-N 2.78Å; K291-T293 VanDerWaalsContact C-N 3.27Å; K291-T293 PolarHBondContact O-N 3.32Å; K291-E294 WeakPolarHBondContact O-CB 3.03Å; K291-E294 PolarHBondContact O-N 2.97Å; K291-S297 WeakPolarHBondContact O-CB 3.39Å; K291-S297 PolarHBondContact O-OG 2.85Å
292	L	88	Confident	85.8	Confident	15 Å²	15	73.7 Å²	73.7	8%	0.079	40%	0.399	C	S	.	.	H	α-helix	trans	-70.2	-25.6	177.4	-68.3	176.8	0	0	0	112.1	A284 A287 G288 I289 R301 L322 L325	A284-L292 HydrophobicContact CB-CD1 4.48Å; A284-L292 WeakPolarHBondContact O-CD1 3.46Å; A287-L292 HydrophobicContact CB-CD2 4.39Å; A287-L292 HydrophobicContact CB-CG 4.35Å; G288-L292 WeakPolarHBondContact O-CG 3.37Å; G288-L292 PolarHBondContact O-N 2.84Å; G288-L292 VanDerWaalsContact O-N 3.14Å; I289-L292 PolarHBondContact O-N 3Å; L292-R301 PolarHBondContact O-NH2 3.08Å; L292-L322 HydrophobicContact CB-CD1 3.88Å; L292-L322 HydrophobicContact CB-CD2 4.5Å; L292-L322 HydrophobicContact CD1-CB 4.33Å; L292-L322 HydrophobicContact CD1-CD1 4.29Å; L292-L325 HydrophobicContact CD1-CD1 4.09Å
293	T	89.3	Confident	86.1	Confident	64 Å²	64	78.1 Å²	78.1	39%	0.393	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-2.3	178.4	54.2	0	0	0	0	113.8	I289 P290 K291 L322	I289-T293 HydrophobicContact CG2-CG2 3.9Å; I289-T293 WeakPolarHBondContact O-CB 3.21Å; I289-T293 WeakPolarHBondContact O-CG2 3.23Å; I289-T293 PolarHBondContact O-N 3.22Å; I289-T293 PolarHBondContact O-OG1 3.2Å; P290-T293 PolarHBondContact O-OG1 3.35Å; K291-T293 VanDerWaalsContact C-N 3.27Å; K291-T293 PolarHBondContact O-N 3.32Å; T293-L322 HydrophobicContact CG2-CD1 3.92Å; T293-L322 HydrophobicContact CG2-CD2 4.43Å
294	E	88	Confident	86.3	Confident	96 Å²	96	75 Å²	75	45%	0.449	40%	0.399	S	S	.	.	S	Bend	trans	-58	136.7	175.2	-165.6	-170.2	145.7	0	0	110.8	P290 K291 S296 S297 V298	P290-E294 PolarHBondContact O-N 3.03Å; K291-E294 WeakPolarHBondContact O-CB 3.03Å; K291-E294 PolarHBondContact O-N 2.97Å; E294-S296 WeakPolarHBondContact CG-OG 3.29Å; E294-S296 PolarHBondContact O-N 3.04Å; E294-S296 VanDerWaalsContact O-N 3.08Å; E294-S296 PolarHBondContact OE1-OG 2.59Å; E294-S297 WeakPolarHBondContact O-CB 3.29Å; E294-S297 PolarHBondContact O-N 3.38Å; E294-V298 WeakPolarHBondContact O-CG2 3.46Å; E294-V298 PolarHBondContact O-N 3.22Å
295	P	85.4	Confident	86.2	Confident	101 Å²	101	77.7 Å²	77.7	66%	0.656	41%	0.413	S	S	*	.	H	α-helix	trans	-53	-34.9	-177.3	-29.6	35.1	0	0	0	114.5	S299	P295-S299 WeakPolarHBondContact O-CB 3.31Å; P295-S299 PolarHBondContact O-N 3.21Å; P295-S299 PolarHBondContact O-OG 3.27Å
296	S	82.7	Confident	85.8	Confident	64 Å²	64	81.1 Å²	81.1	45%	0.448	43%	0.429	S	S	.	.	H	α-helix	trans	-66.2	-47.3	176.5	62.5	0	0	0	0	111.7	E294 S299 R300	E294-S296 WeakPolarHBondContact CG-OG 3.29Å; E294-S296 PolarHBondContact O-N 3.04Å; E294-S296 VanDerWaalsContact O-N 3.08Å; E294-S296 PolarHBondContact OE1-OG 2.59Å; S296-S299 PolarHBondContact O-N 3.44Å; S296-R300 WeakPolarHBondContact O-CB 3.45Å; S296-R300 PolarHBondContact O-N 2.84Å
297	S	85.2	Confident	85.5	Confident	38 Å²	38	75.9 Å²	75.9	27%	0.266	41%	0.406	S	S	.	.	H	α-helix	trans	-63.2	-42.1	176.2	-64.9	0	0	0	0	112.3	K291 E294 R301	K291-S297 WeakPolarHBondContact O-CB 3.39Å; K291-S297 PolarHBondContact O-OG 2.85Å; E294-S297 WeakPolarHBondContact O-CB 3.29Å; E294-S297 PolarHBondContact O-N 3.38Å; S297-R301 WeakPolarHBondContact O-CB 3.49Å; S297-R301 PolarHBondContact O-N 2.89Å
298	V	88.1	Confident	85	Confident	42 Å²	42	82.1 Å²	82.1	26%	0.255	44%	0.442	S	S	.	.	H	α-helix	trans	-64.1	-48.7	176.7	174	0	0	0	0	110.6	E294 R300 R301 Q302	E294-V298 WeakPolarHBondContact O-CG2 3.46Å; E294-V298 PolarHBondContact O-N 3.22Å; V298-R300 VanDerWaalsContact C-N 3.33Å; V298-R300 PolarHBondContact O-N 2.97Å; V298-R301 PolarHBondContact O-N 3.1Å; V298-Q302 HydrophobicContact CG1-CG 4.39Å; V298-Q302 WeakPolarHBondContact O-CG 3.41Å; V298-Q302 PolarHBondContact O-N 3.08Å
299	S	86.5	Confident	84.6	Confident	75 Å²	75	83.4 Å²	83.4	52%	0.524	45%	0.448	S	S	.	.	H	α-helix	trans	-60.2	-43.4	179.4	-58.2	0	0	0	0	111.6	P295 S296 H303	P295-S299 WeakPolarHBondContact O-CB 3.31Å; P295-S299 PolarHBondContact O-N 3.21Å; P295-S299 PolarHBondContact O-OG 3.27Å; S296-S299 PolarHBondContact O-N 3.44Å; S299-H303 PolarHBondContact O-N 3.4Å
300	R	84.6	Confident	84.1	Confident	190 Å²	190	85.8 Å²	85.8	72%	0.717	46%	0.455	S	S	*	.	H	α-helix	trans	-61.5	-47.4	175.1	-177.6	-176.3	-74.2	-129.8	0.4	111.5	S296 V298 Q302 H303 M304	S296-R300 WeakPolarHBondContact O-CB 3.45Å; S296-R300 PolarHBondContact O-N 2.84Å; V298-R300 VanDerWaalsContact C-N 3.33Å; V298-R300 PolarHBondContact O-N 2.97Å; R300-Q302 PolarHBondContact O-N 3.04Å; R300-H303 WeakPolarHBondContact O-CB 3.26Å; R300-H303 PolarHBondContact O-N 2.93Å; R300-M304 HydrophobicContact CG-SD 4Å; R300-M304 WeakPolarHBondContact O-CG 3.3Å; R300-M304 PolarHBondContact O-N 3.36Å
301	R	90.2	Very high	83.9	Confident	16 Å²	16	85.5 Å²	85.5	6%	0.06	44%	0.444	C	S	.	.	H	α-helix	trans	-64.5	-40.5	-179.2	-163.1	-171.1	-47.1	116.7	14.9	112.2	L292 S297 V298 H303 M304 L305 Q319	L292-R301 PolarHBondContact O-NH2 3.08Å; S297-R301 WeakPolarHBondContact O-CB 3.49Å; S297-R301 PolarHBondContact O-N 2.89Å; V298-R301 PolarHBondContact O-N 3.1Å; R301-H303 VanDerWaalsContact C-N 3.25Å; R301-H303 PolarHBondContact O-N 3.08Å; R301-M304 WeakPolarHBondContact O-CB 3.46Å; R301-M304 PolarHBondContact O-N 3.14Å; R301-L305 HydrophobicContact CG-CD1 4.43Å; R301-L305 HydrophobicContact CG-CG 4.44Å; R301-L305 WeakPolarHBondContact O-CG 3.24Å; R301-L305 PolarHBondContact O-N 3.3Å; R301-Q319 VanDerWaalsContact NH1-OE1 3.14Å
302	Q	87.5	Confident	83.7	Confident	124 Å²	124	79.9 Å²	79.9	58%	0.579	42%	0.421	S	S	*	.	H	α-helix	trans	-59.1	-37.8	175.6	-76.1	178.8	-10.4	0	0	112.2	V298 R300 M304	V298-Q302 HydrophobicContact CG1-CG 4.39Å; V298-Q302 WeakPolarHBondContact O-CG 3.41Å; V298-Q302 PolarHBondContact O-N 3.08Å; R300-Q302 PolarHBondContact O-N 3.04Å; Q302-M304 VanDerWaalsContact C-N 3.31Å; Q302-M304 PolarHBondContact O-N 3.28Å
303	H	84.6	Confident	83.4	Confident	140 Å²	140	82.4 Å²	82.4	65%	0.648	43%	0.432	S	S	*	.	H	α-helix	trans	-68.7	-30.4	174.7	-169.4	70.7	0	0	0	112.9	S299 R300 R301	S299-H303 PolarHBondContact O-N 3.4Å; R300-H303 WeakPolarHBondContact O-CB 3.26Å; R300-H303 PolarHBondContact O-N 2.93Å; R301-H303 VanDerWaalsContact C-N 3.25Å; R301-H303 PolarHBondContact O-N 3.08Å
304	M	86.9	Confident	83.2	Confident	31 Å²	31	81.6 Å²	81.6	15%	0.153	42%	0.424	C	S	.	.	H	α-helix	trans	-76.5	-40.7	179.9	-68.8	169.4	70.3	0	0	112.7	R300 R301 Q302 N306 Q307 H311 G312 Q314	R300-M304 HydrophobicContact CG-SD 4Å; R300-M304 WeakPolarHBondContact O-CG 3.3Å; R300-M304 PolarHBondContact O-N 3.36Å; R301-M304 WeakPolarHBondContact O-CB 3.46Å; R301-M304 PolarHBondContact O-N 3.14Å; Q302-M304 VanDerWaalsContact C-N 3.31Å; Q302-M304 PolarHBondContact O-N 3.28Å; M304-N306 PolarHBondContact O-N 3.49Å; M304-Q307 WeakPolarHBondContact O-CB 3.15Å; M304-Q307 PolarHBondContact O-N 2.97Å; M304-H311 HydrophobicContact CE-CB 4.1Å; M304-H311 WeakPolarHBondContact CE-O 3.39Å; M304-H311 HydrophobicContact CG-CB 4.44Å; M304-G312 WeakPolarHBondContact O-CA 3.29Å; M304-Q314 HydrophobicContact CE-CB 3.64Å
305	L	83.9	Confident	83.1	Confident	61 Å²	61	77 Å²	77	32%	0.319	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-17.2	-170.9	-78.5	166.4	0	0	0	115.9	R301 L316 Q319	R301-L305 HydrophobicContact CG-CD1 4.43Å; R301-L305 HydrophobicContact CG-CG 4.44Å; R301-L305 WeakPolarHBondContact O-CG 3.24Å; R301-L305 PolarHBondContact O-N 3.3Å; L305-L316 HydrophobicContact CD2-CB 4.38Å; L305-L316 HydrophobicContact CD2-CD1 4.32Å; L305-Q319 HydrophobicContact CD1-CG 4.41Å; L305-Q319 HydrophobicContact CD2-CB 4.03Å; L305-Q319 HydrophobicContact CD2-CG 4.42Å
306	N	76.6	Confident	83.2	Confident	151 Å²	151	77.1 Å²	77.1	81%	0.807	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	7.4	179.8	-65.4	-25	0	0	0	114	M304	M304-N306 PolarHBondContact O-N 3.49Å
307	Q	77.4	Confident	83.5	Confident	69 Å²	69	74.8 Å²	74.8	32%	0.322	38%	0.38	S	S	.	.			trans	-91.6	142.8	178.8	-57.5	-167.4	-5	0	0	111	M304 S309 G312	M304-Q307 WeakPolarHBondContact O-CB 3.15Å; M304-Q307 PolarHBondContact O-N 2.97Å; Q307-S309 WeakPolarHBondContact CB-OG 3.15Å; Q307-S309 PolarHBondContact OE1-OG 3.26Å; Q307-G312 WeakPolarHBondContact O-CA 3.4Å
308	T	76.1	Confident	83.8	Confident	159 Å²	159	74.2 Å²	74.2	98%	0.975	38%	0.375	S	S	*	.	S	Bend	trans	-86.4	0.7	169.7	54.2	0	0	0	0	112.6
309	S	77.4	Confident	83.8	Confident	47 Å²	47	74.5 Å²	74.5	33%	0.329	37%	0.373	S	S	.	.	S	Bend	trans	-80.1	173	179.5	71.8	0	0	0	0	111.6	Q307 H311 G312 F313	Q307-S309 WeakPolarHBondContact CB-OG 3.15Å; Q307-S309 PolarHBondContact OE1-OG 3.26Å; S309-H311 PolarHBondContact O-N 3.23Å; S309-H311 VanDerWaalsContact O-N 3.15Å; S309-H311 PolarHBondContact OG-N 3.4Å; S309-G312 PolarHBondContact O-N 3.37Å; S309-F313 PolarHBondContact O-N 2.8Å
310	Y	76.3	Confident	84	Confident	91 Å²	91	74.4 Å²	74.4	36%	0.357	37%	0.369	S	S	.	.	H	α-helix	trans	-51.3	-33.6	168.7	172.5	-111.6	0	0	0	113	L276 G312 F313 Q314	L276-Y310 HydrophobicContact CB-CE2 4.03Å; L276-Y310 HydrophobicContact CD1-CD2 4.08Å; L276-Y310 HydrophobicContact CD1-CE2 3.75Å; L276-Y310 HydrophobicContact CD2-CE2 3.61Å; L276-Y310 HydrophobicContact CG-CE2 3.98Å; Y310-G312 VanDerWaalsContact C-N 3.33Å; Y310-G312 PolarHBondContact O-N 3.41Å; Y310-F313 HydrophobicContact CD2-CD1 4.25Å; Y310-F313 HydrophobicContact CE2-CD1 4.19Å; Y310-F313 WeakPolarHBondContact O-CB 3.41Å; Y310-F313 PolarHBondContact O-N 3.3Å; Y310-Q314 HydrophobicContact CD1-CG 4.29Å; Y310-Q314 HydrophobicContact CD2-CG 4.42Å; Y310-Q314 HydrophobicContact CE1-CG 3.79Å; Y310-Q314 VanDerWaalsContact CE1-NE2 3.27Å; Y310-Q314 HydrophobicContact CE2-CG 3.9Å; Y310-Q314 VanDerWaalsContact CZ-CD 3.42Å; Y310-Q314 VanDerWaalsContact CZ-NE2 3.33Å; Y310-Q314 WeakPolarHBondContact O-CG 3.42Å; Y310-Q314 PolarHBondContact O-N 2.83Å; Y310-Q314 PolarHBondContact OH-NE2 3.41Å
311	H	80.6	Confident	84.2	Confident	98 Å²	98	66.1 Å²	66.1	45%	0.454	34%	0.34	S	S	.	.	H	α-helix	trans	-66.2	-35.9	175.9	-62.2	-50.6	0	0	0	112.3	M304 S309 Q314 G315	M304-H311 HydrophobicContact CE-CB 4.1Å; M304-H311 WeakPolarHBondContact CE-O 3.39Å; M304-H311 HydrophobicContact CG-CB 4.44Å; S309-H311 PolarHBondContact O-N 3.23Å; S309-H311 VanDerWaalsContact O-N 3.15Å; S309-H311 PolarHBondContact OG-N 3.4Å; H311-Q314 PolarHBondContact ND1-OE1 3.18Å; H311-Q314 PolarHBondContact O-N 3.42Å; H311-G315 PolarHBondContact O-N 2.93Å
312	G	81.7	Confident	84.2	Confident	6 Å²	6	65.9 Å²	65.9	6%	0.062	34%	0.34	C	S	.	.	H	α-helix	trans	-66.4	-39.7	173.6	0	0	0	0	0	113	M304 Q307 S309 Y310 G315 L316	M304-G312 WeakPolarHBondContact O-CA 3.29Å; Q307-G312 WeakPolarHBondContact O-CA 3.4Å; S309-G312 PolarHBondContact O-N 3.37Å; Y310-G312 VanDerWaalsContact C-N 3.33Å; Y310-G312 PolarHBondContact O-N 3.41Å; G312-G315 PolarHBondContact O-N 3.31Å; G312-L316 WeakPolarHBondContact O-CB 3.33Å; G312-L316 PolarHBondContact O-N 2.65Å
313	F	82.6	Confident	84.3	Confident	67 Å²	67	65.1 Å²	65.1	29%	0.294	34%	0.336	S	S	.	.	H	α-helix	trans	-58	-49	170	172.6	-96.1	0	0	0	111.9	L276 L277 S309 Y310 G315 L316 V317	L276-F313 HydrophobicContact CB-CE1 4.12Å; L277-F313 HydrophobicContact CB-CZ 4Å; L277-F313 HydrophobicContact CD1-CZ 4.17Å; L277-F313 HydrophobicContact CG-CZ 4.42Å; S309-F313 PolarHBondContact O-N 2.8Å; Y310-F313 HydrophobicContact CD2-CD1 4.25Å; Y310-F313 HydrophobicContact CE2-CD1 4.19Å; Y310-F313 WeakPolarHBondContact O-CB 3.41Å; Y310-F313 PolarHBondContact O-N 3.3Å; F313-G315 VanDerWaalsContact C-N 3.31Å; F313-G315 PolarHBondContact O-N 2.89Å; F313-L316 PolarHBondContact O-N 3.3Å; F313-V317 HydrophobicContact CD1-CG2 4.34Å; F313-V317 HydrophobicContact CD2-CG2 4.32Å; F313-V317 HydrophobicContact CE1-CG2 3.93Å; F313-V317 HydrophobicContact CE2-CG2 3.92Å; F313-V317 HydrophobicContact CZ-CG2 3.72Å; F313-V317 WeakPolarHBondContact O-CG2 3.31Å; F313-V317 PolarHBondContact O-N 3.3Å
314	Q	85.2	Confident	84.4	Confident	47 Å²	47	62.5 Å²	62.5	22%	0.22	33%	0.33	C	S	.	.	H	α-helix	trans	-59.9	-41.5	176	-71.7	-177.7	-52.6	0	0	112.2	T280 M304 Y310 H311 L316 V317 T318	T280-Q314 HydrophobicContact CG2-CB 4.36Å; T280-Q314 HydrophobicContact CG2-CG 4.42Å; M304-Q314 HydrophobicContact CE-CB 3.64Å; Y310-Q314 HydrophobicContact CD1-CG 4.29Å; Y310-Q314 HydrophobicContact CD2-CG 4.42Å; Y310-Q314 HydrophobicContact CE1-CG 3.79Å; Y310-Q314 VanDerWaalsContact CE1-NE2 3.27Å; Y310-Q314 HydrophobicContact CE2-CG 3.9Å; Y310-Q314 VanDerWaalsContact CZ-CD 3.42Å; Y310-Q314 VanDerWaalsContact CZ-NE2 3.33Å; Y310-Q314 WeakPolarHBondContact O-CG 3.42Å; Y310-Q314 PolarHBondContact O-N 2.83Å; Y310-Q314 PolarHBondContact OH-NE2 3.41Å; H311-Q314 PolarHBondContact ND1-OE1 3.18Å; H311-Q314 PolarHBondContact O-N 3.42Å; Q314-L316 VanDerWaalsContact C-N 3.35Å; Q314-L316 PolarHBondContact O-N 2.77Å; Q314-V317 PolarHBondContact O-N 3.3Å; Q314-T318 WeakPolarHBondContact O-CB 3.32Å; Q314-T318 VanDerWaalsContact O-CG2 3.24Å; Q314-T318 WeakPolarHBondContact O-CG2 3.26Å; Q314-T318 PolarHBondContact O-N 3.22Å; Q314-T318 PolarHBondContact O-OG1 3.27Å
315	G	86.1	Confident	84.5	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-60.3	-44.4	176.8	0	0	0	0	0	111.8	H311 G312 F313 T318 Q319	H311-G315 PolarHBondContact O-N 2.93Å; G312-G315 PolarHBondContact O-N 3.31Å; F313-G315 VanDerWaalsContact C-N 3.31Å; F313-G315 PolarHBondContact O-N 2.89Å; G315-T318 PolarHBondContact O-OG1 2.95Å; G315-Q319 VanDerWaalsContact O-CB 3.3Å; G315-Q319 WeakPolarHBondContact O-CB 3.4Å; G315-Q319 PolarHBondContact O-N 3.45Å
316	L	87.6	Confident	84.7	Confident	103 Å²	103	63.2 Å²	63.2	54%	0.539	33%	0.334	S	S	.	.	H	α-helix	trans	-65.2	-48.1	177.5	-172.8	66.6	0	0	0	111.7	L305 G312 F313 Q314 T318 Q319 T320	L305-L316 HydrophobicContact CD2-CB 4.38Å; L305-L316 HydrophobicContact CD2-CD1 4.32Å; G312-L316 WeakPolarHBondContact O-CB 3.33Å; G312-L316 PolarHBondContact O-N 2.65Å; F313-L316 PolarHBondContact O-N 3.3Å; Q314-L316 VanDerWaalsContact C-N 3.35Å; Q314-L316 PolarHBondContact O-N 2.77Å; L316-T318 PolarHBondContact O-N 3.04Å; L316-Q319 PolarHBondContact O-N 2.85Å; L316-T320 PolarHBondContact O-N 2.99Å; L316-T320 PolarHBondContact O-OG1 2.89Å
317	V	88.5	Confident	85.1	Confident	15 Å²	15	63.4 Å²	63.4	9%	0.091	33%	0.328	C	S	.	.	H	α-helix	trans	-61.2	-47.1	179	174.5	0	0	0	0	111.1	T280 V281 F313 Q314 Q319 T320 V321	T280-V317 HydrophobicContact CG2-CB 3.87Å; T280-V317 HydrophobicContact CG2-CG1 3.68Å; V281-V317 HydrophobicContact CG2-CG1 3.61Å; F313-V317 HydrophobicContact CD1-CG2 4.34Å; F313-V317 HydrophobicContact CD2-CG2 4.32Å; F313-V317 HydrophobicContact CE1-CG2 3.93Å; F313-V317 HydrophobicContact CE2-CG2 3.92Å; F313-V317 HydrophobicContact CZ-CG2 3.72Å; F313-V317 WeakPolarHBondContact O-CG2 3.31Å; F313-V317 PolarHBondContact O-N 3.3Å; Q314-V317 PolarHBondContact O-N 3.3Å; V317-Q319 VanDerWaalsContact C-N 3.31Å; V317-Q319 PolarHBondContact O-N 3.38Å; V317-T320 PolarHBondContact O-N 3.44Å; V317-V321 WeakPolarHBondContact O-CG2 3.19Å; V317-V321 PolarHBondContact O-N 3.31Å
318	T	90.4	Very high	85.4	Confident	26 Å²	26	65.3 Å²	65.3	16%	0.16	34%	0.337	C	S	.	.	H	α-helix	trans	-63.9	-34.3	178.1	54.6	0	0	0	0	112.8	T280 A284 Q314 G315 L316 L322	T280-T318 HydrophobicContact CG2-CG2 3.78Å; A284-T318 HydrophobicContact CB-CG2 4.19Å; Q314-T318 WeakPolarHBondContact O-CB 3.32Å; Q314-T318 VanDerWaalsContact O-CG2 3.24Å; Q314-T318 WeakPolarHBondContact O-CG2 3.26Å; Q314-T318 PolarHBondContact O-N 3.22Å; Q314-T318 PolarHBondContact O-OG1 3.27Å; G315-T318 PolarHBondContact O-OG1 2.95Å; L316-T318 PolarHBondContact O-N 3.04Å; T318-L322 PolarHBondContact O-N 3.22Å; T318-L322 VanDerWaalsContact O-N 3.08Å
319	Q	89.5	Confident	85.6	Confident	49 Å²	49	64.3 Å²	64.3	23%	0.229	32%	0.316	C	S	.	.	H	α-helix	trans	-66.3	-46.6	174.8	-178.8	60.9	25.2	0	0	111.1	R301 L305 G315 L316 V317 V321 L322 E323	R301-Q319 VanDerWaalsContact NH1-OE1 3.14Å; L305-Q319 HydrophobicContact CD1-CG 4.41Å; L305-Q319 HydrophobicContact CD2-CB 4.03Å; L305-Q319 HydrophobicContact CD2-CG 4.42Å; G315-Q319 VanDerWaalsContact O-CB 3.3Å; G315-Q319 WeakPolarHBondContact O-CB 3.4Å; G315-Q319 PolarHBondContact O-N 3.45Å; L316-Q319 PolarHBondContact O-N 2.85Å; V317-Q319 VanDerWaalsContact C-N 3.31Å; V317-Q319 PolarHBondContact O-N 3.38Å; Q319-V321 VanDerWaalsContact C-N 3.35Å; Q319-V321 PolarHBondContact O-N 3.45Å; Q319-L322 PolarHBondContact O-N 2.89Å; Q319-E323 PolarHBondContact NE2-OE1 2.65Å; Q319-E323 WeakPolarHBondContact O-CG 3.42Å; Q319-E323 PolarHBondContact O-N 3.01Å
320	T	89.8	Confident	85.6	Confident	72 Å²	72	65 Å²	65	44%	0.442	32%	0.321	S	S	.	.	H	α-helix	trans	-60.1	-43.7	176.4	-54.7	0	0	0	0	111.6	L316 V317 L322 E323 V324	L316-T320 PolarHBondContact O-N 2.99Å; L316-T320 PolarHBondContact O-OG1 2.89Å; V317-T320 PolarHBondContact O-N 3.44Å; T320-L322 VanDerWaalsContact C-N 3.34Å; T320-L322 PolarHBondContact O-N 3.25Å; T320-E323 PolarHBondContact O-N 3.01Å; T320-V324 WeakPolarHBondContact O-CG2 3.49Å; T320-V324 PolarHBondContact O-N 3.35Å; T320-V324 VanDerWaalsContact O-N 3.08Å
321	V	89.2	Confident	85.5	Confident	16 Å²	16	63.9 Å²	63.9	10%	0.097	33%	0.326	C	S	.	.	H	α-helix	trans	-60.8	-43.6	176.3	172.5	0	0	0	0	111.1	V281 A284 V285 V317 Q319 E323 V324 L325	V281-V321 HydrophobicContact CB-CG2 4.31Å; V281-V321 HydrophobicContact CG1-CG2 4.15Å; V281-V321 HydrophobicContact CG2-CG2 3.92Å; A284-V321 HydrophobicContact CB-CB 4.01Å; A284-V321 HydrophobicContact CB-CG1 3.73Å; A284-V321 HydrophobicContact CB-CG2 4.24Å; V285-V321 HydrophobicContact CG2-CG1 3.79Å; V317-V321 WeakPolarHBondContact O-CG2 3.19Å; V317-V321 PolarHBondContact O-N 3.31Å; Q319-V321 VanDerWaalsContact C-N 3.35Å; Q319-V321 PolarHBondContact O-N 3.45Å; V321-E323 PolarHBondContact O-N 3.12Å; V321-V324 PolarHBondContact O-N 3.17Å; V321-L325 HydrophobicContact CG1-CD1 3.88Å; V321-L325 HydrophobicContact CG1-CG 4.28Å; V321-L325 VanDerWaalsContact O-CG 3.29Å; V321-L325 WeakPolarHBondContact O-CG 3.18Å; V321-L325 PolarHBondContact O-N 3.24Å
322	L	90.5	Very high	84.6	Confident	11 Å²	11	65 Å²	65	6%	0.058	33%	0.332	C	S	.	.	H	α-helix	trans	-61.9	-43.3	177.5	177.8	61.1	0	0	0	112.3	L292 T293 T318 Q319 T320 V324 L325 L326	L292-L322 HydrophobicContact CB-CD1 3.88Å; L292-L322 HydrophobicContact CB-CD2 4.5Å; L292-L322 HydrophobicContact CD1-CB 4.33Å; L292-L322 HydrophobicContact CD1-CD1 4.29Å; T293-L322 HydrophobicContact CG2-CD1 3.92Å; T293-L322 HydrophobicContact CG2-CD2 4.43Å; T318-L322 PolarHBondContact O-N 3.22Å; T318-L322 VanDerWaalsContact O-N 3.08Å; Q319-L322 PolarHBondContact O-N 2.89Å; T320-L322 VanDerWaalsContact C-N 3.34Å; T320-L322 PolarHBondContact O-N 3.25Å; L322-V324 VanDerWaalsContact C-N 3.33Å; L322-V324 PolarHBondContact O-N 3.3Å; L322-L325 PolarHBondContact O-N 2.86Å; L322-L326 HydrophobicContact CD1-CD1 4.04Å; L322-L326 HydrophobicContact CD1-CG 4.04Å; L322-L326 HydrophobicContact CG-CD1 3.96Å; L322-L326 HydrophobicContact CG-CG 4.39Å; L322-L326 WeakPolarHBondContact O-CB 3.36Å; L322-L326 WeakPolarHBondContact O-CG 3.4Å; L322-L326 PolarHBondContact O-N 3.34Å
323	E	89	Confident	83.6	Confident	109 Å²	109	69.3 Å²	69.3	51%	0.509	35%	0.353	S	S	.	.	H	α-helix	trans	-61.8	-41	178.2	-74.1	172.8	-166.8	0	0	112.1	Q319 T320 V321 K327	Q319-E323 PolarHBondContact NE2-OE1 2.65Å; Q319-E323 WeakPolarHBondContact O-CG 3.42Å; Q319-E323 PolarHBondContact O-N 3.01Å; T320-E323 PolarHBondContact O-N 3.01Å; V321-E323 PolarHBondContact O-N 3.12Å; E323-K327 WeakPolarHBondContact O-CB 3.35Å; E323-K327 PolarHBondContact O-N 3.09Å
324	V	87.8	Confident	82.3	Confident	85 Å²	85	72.1 Å²	72.1	52%	0.515	37%	0.371	S	S	.	.	H	α-helix	trans	-64.7	-47.5	175.1	174.4	0	0	0	0	110.9	T320 V321 L322 L326 K327 E328	T320-V324 WeakPolarHBondContact O-CG2 3.49Å; T320-V324 PolarHBondContact O-N 3.35Å; T320-V324 VanDerWaalsContact O-N 3.08Å; V321-V324 PolarHBondContact O-N 3.17Å; L322-V324 VanDerWaalsContact C-N 3.33Å; L322-V324 PolarHBondContact O-N 3.3Å; V324-L326 PolarHBondContact O-N 3.17Å; V324-K327 PolarHBondContact O-N 2.86Å; V324-E328 PolarHBondContact O-N 3.16Å
325	L	88.1	Confident	80.5	Confident	34 Å²	34	79.3 Å²	79.3	18%	0.178	40%	0.397	C	S	.	.	H	α-helix	trans	-61.4	-40.8	178.7	-70.8	173.4	0	0	0	112.4	I289 L292 V321 L322 E328 Y329	I289-L325 HydrophobicContact CD1-CB 4.07Å; I289-L325 HydrophobicContact CG1-CB 3.79Å; I289-L325 HydrophobicContact CG1-CD1 4.39Å; L292-L325 HydrophobicContact CD1-CD1 4.09Å; V321-L325 HydrophobicContact CG1-CD1 3.88Å; V321-L325 HydrophobicContact CG1-CG 4.28Å; V321-L325 VanDerWaalsContact O-CG 3.29Å; V321-L325 WeakPolarHBondContact O-CG 3.18Å; V321-L325 PolarHBondContact O-N 3.24Å; L322-L325 PolarHBondContact O-N 2.86Å; L325-E328 PolarHBondContact O-N 3.23Å; L325-Y329 WeakPolarHBondContact O-CB 3.42Å; L325-Y329 PolarHBondContact O-N 3.43Å
326	L	87.9	Confident	78.6	Confident	72 Å²	72	84.1 Å²	84.1	38%	0.377	43%	0.431	S	S	.	.	H	α-helix	trans	-67.1	-37.6	176.5	-73.9	172.2	0	0	0	112.3	I289 L322 V324 S330	I289-L326 HydrophobicContact CD1-CD2 4.47Å; I289-L326 HydrophobicContact CG2-CD2 3.95Å; L322-L326 HydrophobicContact CD1-CD1 4.04Å; L322-L326 HydrophobicContact CD1-CG 4.04Å; L322-L326 HydrophobicContact CG-CD1 3.96Å; L322-L326 HydrophobicContact CG-CG 4.39Å; L322-L326 WeakPolarHBondContact O-CB 3.36Å; L322-L326 WeakPolarHBondContact O-CG 3.4Å; L322-L326 PolarHBondContact O-N 3.34Å; V324-L326 PolarHBondContact O-N 3.17Å; L326-S330 WeakPolarHBondContact O-CB 3.38Å; L326-S330 PolarHBondContact O-N 3.46Å; L326-S330 PolarHBondContact O-OG 2.93Å
327	K	86.1	Confident	76.5	Confident	155 Å²	155	84.9 Å²	84.9	67%	0.674	44%	0.44	S	S	*	.	H	α-helix	trans	-65.3	-40.9	175.4	-173.7	179.1	179.8	-178.3	0	111.4	E323 V324 S330 S331	E323-K327 WeakPolarHBondContact O-CB 3.35Å; E323-K327 PolarHBondContact O-N 3.09Å; V324-K327 PolarHBondContact O-N 2.86Å; K327-S330 PolarHBondContact O-N 3.27Å; K327-S331 WeakPolarHBondContact O-CB 3.5Å; K327-S331 PolarHBondContact O-N 2.78Å; K327-S331 PolarHBondContact O-OG 2.74Å
328	E	82.6	Confident	74.1	Confident	110 Å²	110	89.4 Å²	89.4	51%	0.514	47%	0.467	S	S	.	.	H	α-helix	trans	-67.8	-43.5	177.3	-165.4	168.7	-171.2	0	0	111.6	V324 L325 S330 S331 Q332	V324-E328 PolarHBondContact O-N 3.16Å; L325-E328 PolarHBondContact O-N 3.23Å; E328-S330 VanDerWaalsContact C-N 3.33Å; E328-S330 PolarHBondContact O-N 3.44Å; E328-S331 PolarHBondContact O-N 3.35Å; E328-S331 VanDerWaalsContact O-N 3.15Å; E328-Q332 WeakPolarHBondContact O-CG 3.31Å; E328-Q332 PolarHBondContact O-N 2.6Å
329	Y	81	Confident	71.5	Confident	137 Å²	137	96.8 Å²	96.8	54%	0.537	50%	0.499	S	S	.	.	H	α-helix	trans	-59.8	-41.7	174.6	-167.7	-99.7	0	0	0	112.5	I289 L325 S331 Q332 L333	I289-Y329 HydrophobicContact CD1-CD2 4.23Å; I289-Y329 HydrophobicContact CD1-CG 4.13Å; L325-Y329 WeakPolarHBondContact O-CB 3.42Å; L325-Y329 PolarHBondContact O-N 3.43Å; Y329-S331 VanDerWaalsContact C-N 3.34Å; Y329-S331 PolarHBondContact O-N 3.2Å; Y329-Q332 PolarHBondContact O-N 2.89Å; Y329-L333 HydrophobicContact CD1-CD1 3.93Å; Y329-L333 HydrophobicContact CE1-CD1 3.65Å; Y329-L333 PolarHBondContact O-N 2.63Å
330	S	77.9	Confident	69.2	Low	63 Å²	63	99.8 Å²	99.8	44%	0.441	52%	0.523	S	S	.	.	H	α-helix	trans	-67.9	-33.3	176.7	-56	0	0	0	0	112.7	L326 K327 E328 L333 N334	L326-S330 WeakPolarHBondContact O-CB 3.38Å; L326-S330 PolarHBondContact O-N 3.46Å; L326-S330 PolarHBondContact O-OG 2.93Å; K327-S330 PolarHBondContact O-N 3.27Å; E328-S330 VanDerWaalsContact C-N 3.33Å; E328-S330 PolarHBondContact O-N 3.44Å; S330-L333 PolarHBondContact O-N 2.79Å; S330-N334 PolarHBondContact O-N 3.22Å
331	S	72.9	Confident	66.5	Low	66 Å²	66	101.7 Å²	101.7	46%	0.462	54%	0.539	S	S	.	.	H	α-helix	trans	-70.7	-36	178	-56.9	0	0	0	0	111.8	K327 E328 Y329 N334 Y335	K327-S331 WeakPolarHBondContact O-CB 3.5Å; K327-S331 PolarHBondContact O-N 2.78Å; K327-S331 PolarHBondContact O-OG 2.74Å; E328-S331 PolarHBondContact O-N 3.35Å; E328-S331 VanDerWaalsContact O-N 3.15Å; Y329-S331 VanDerWaalsContact C-N 3.34Å; Y329-S331 PolarHBondContact O-N 3.2Å; S331-N334 PolarHBondContact O-N 3.12Å; S331-Y335 PolarHBondContact O-N 3.45Å; S331-Y335 VanDerWaalsContact O-N 3.15Å
332	Q	62.9	Low	64.1	Low	121 Å²	121	106.4 Å²	106.4	57%	0.565	57%	0.573	S	S	*	*	H	α-helix	trans	-68.4	-35.2	175.4	-68.7	-179.5	12.2	0	0	112.5	E328 Y329 S336	E328-Q332 WeakPolarHBondContact O-CG 3.31Å; E328-Q332 PolarHBondContact O-N 2.6Å; Y329-Q332 PolarHBondContact O-N 2.89Å; Q332-S336 PolarHBondContact O-OG 2.81Å
333	L	59.4	Low	61.7	Low	98 Å²	98	114.8 Å²	114.8	51%	0.513	61%	0.612	S	S	.	*	H	α-helix	trans	-67.9	-37.6	173.8	-78	163.9	0	0	0	112.5	Y329 S330 S336	Y329-L333 HydrophobicContact CD1-CD1 3.93Å; Y329-L333 HydrophobicContact CE1-CD1 3.65Å; Y329-L333 PolarHBondContact O-N 2.63Å; S330-L333 PolarHBondContact O-N 2.79Å; L333-S336 PolarHBondContact O-N 3.41Å
334	N	55.2	Low	59.4	Low	125 Å²	125	117.6 Å²	117.6	67%	0.668	62%	0.624	S	S	*	*	H	α-helix	trans	-78.2	-20.9	179.9	-80.6	-16.1	0	0	0	114.5	S330 S331 S336	S330-N334 PolarHBondContact O-N 3.22Å; S331-N334 PolarHBondContact O-N 3.12Å; N334-S336 VanDerWaalsContact C-N 3.27Å
335	Y	48.9	Very low	57.2	Low	198 Å²	198	122.1 Å²	122.1	78%	0.776	64%	0.64	S	S	*	*	H	α-helix	trans	-77.3	-14.6	173.6	-125.6	-91.7	0	0	0	113.2	S331 V337	S331-Y335 PolarHBondContact O-N 3.45Å; S331-Y335 VanDerWaalsContact O-N 3.15Å; Y335-V337 VanDerWaalsContact C-N 3.34Å; Y335-V337 PolarHBondContact O-N 3.26Å
336	S	44.7	Very low	54.9	Low	101 Å²	101	125.3 Å²	125.3	71%	0.706	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	-1.2	-176.3	-54.3	0	0	0	0	113.8	Q332 L333 N334	Q332-S336 PolarHBondContact O-OG 2.81Å; L333-S336 PolarHBondContact O-N 3.41Å; N334-S336 VanDerWaalsContact C-N 3.27Å
337	V	45.1	Very low	52.6	Low	119 Å²	119	127.5 Å²	127.5	72%	0.721	69%	0.686	S	S	*	*	S	Bend	trans	-119	3.6	-171.2	-177	0	0	0	0	113.5	Y335	Y335-V337 VanDerWaalsContact C-N 3.34Å; Y335-V337 PolarHBondContact O-N 3.26Å
338	V	38.1	Very low	50.4	Low	110 Å²	110	125.6 Å²	125.6	67%	0.667	69%	0.69	S	S	*	*			trans	-129.6	81.9	178.8	-169.5	0	0	0	0	111.4
339	H	36	Very low	48.4	Very low	181 Å²	181	127.3 Å²	127.3	84%	0.838	71%	0.708	S	S	*	*			trans	-134.7	96	158.4	-100.7	-73.9	0	0	0	108.9
340	P	40.4	Very low	46.4	Very low	112 Å²	112	125 Å²	125	73%	0.727	72%	0.717	S	S	*	*			trans	-86.4	116.6	161.7	5.5	13.6	0	0	0	108.5
341	S	33.1	Very low	44.7	Very low	112 Å²	112	126.6 Å²	126.6	78%	0.783	73%	0.734	S	S	*	*			trans	-49.2	131.1	161.6	49.7	0	0	0	0	112.4
342	S	38.5	Very low	43.2	Very low	116 Å²	116	128 Å²	128	81%	0.811	75%	0.75	S	S	*	*				172.8	126.1	128.3	52.5	0	0	0	0	111.3
343	H	40.4	Very low	42.2	Very low	186 Å²	186	127 Å²	127	86%	0.861	76%	0.757	S	S	*	*			trans	-58.2	146.6	172.8	-83.2	-84.6	0	0	0	113.2
344	H	40.8	Very low	41.3	Very low	168 Å²	168	127.2 Å²	127.2	78%	0.778	77%	0.766	S	S	*	*			trans	-30	132.8	163.4	-68.3	-87.2	0	0	0	114.9
345	H	41.1	Very low	40.7	Very low	180 Å²	180	126.4 Å²	126.4	83%	0.833	77%	0.77	S	S	*	*				-172.6	125.8	113.8	-94.1	-64.4	0	0	0	111.5
346	S	40	Very low	40.5	Very low	101 Å²	101	122.7 Å²	122.7	71%	0.706	77%	0.773	S	S	*	*			trans	83.5	107.2	146.4	-44.8	0	0	0	0	121
347	S	38.8	Very low	40.7	Very low	119 Å²	119	123.3 Å²	123.3	83%	0.832	78%	0.775	S	S	*	*			trans	90.4	126.2	133.9	-53.9	0	0	0	0	119.9
348	P	40.9	Very low	40.4	Very low	115 Å²	115	123.8 Å²	123.8	75%	0.747	78%	0.778	S	S	*	*			trans	-107.4	147.3	-176.3	38.4	-28.9	0	0	0	112.9
349	T	40.2	Very low	40.4	Very low	145 Å²	145	124.5 Å²	124.5	89%	0.89	78%	0.783	S	S	*	*			trans	-167.7	134.1	137.9	-8.1	0	0	0	0	114.3
350	A	40.2	Very low	40.5	Very low	89 Å²	89	121.1 Å²	121.1	74%	0.736	78%	0.775	S	S	*	*			trans	75.4	106.4	139.1	0	0	0	0	0	122.2
351	A	41.2	Very low	40.4	Very low	96 Å²	96	121.5 Å²	121.5	79%	0.793	78%	0.776	S	S	*	*				94.2	125.1	111.1	0	0	0	0	0	121.8
352	A	40.6	Very low	40.7	Very low	96 Å²	96	121.9 Å²	121.9	79%	0.793	77%	0.773	S	S	*	*			trans	69.5	143	141.5	0	0	0	0	0	117.5
353	S	42.3	Very low	40.8	Very low	101 Å²	101	121.8 Å²	121.8	71%	0.706	77%	0.772	S	S	*	*			cis	-179.9	149	-2.8	39.3	0	0	0	0	106.9
354	S	41.3	Very low	40.6	Very low	102 Å²	102	118.2 Å²	118.2	71%	0.713	77%	0.769	S	S	*	*			trans	74.8	134	141.7	63.9	0	0	0	0	123.8
355	S	42	Very low	40.6	Very low	107 Å²	107	117.4 Å²	117.4	75%	0.748	78%	0.776	S	S	*	*			trans	96	92.4	137.2	66.4	0	0	0	0	121.1
356	S	44.3	Very low	40.3	Very low	121 Å²	121	120.9 Å²	120.9	85%	0.846	78%	0.781	S	S	*	*				50.2	152.7	112.2	-50.4	0	0	0	0	124.3
357	P	48.7	Very low	40.3	Very low	113 Å²	113	119.3 Å²	119.3	73%	0.734	78%	0.781	S	S	*	*			trans	-119.2	171.4	-153	41.3	-27.1	0	0	0	114.9
358	T	39.1	Very low	40.2	Very low	130 Å²	130	119.5 Å²	119.5	80%	0.798	78%	0.778	S	S	*	*			trans	-171.5	153.3	146.1	-5.4	0	0	0	0	115.7
359	T	39.2	Very low	39.9	Very low	125 Å²	125	120.1 Å²	120.1	77%	0.767	78%	0.779	S	S	*	*			trans	78.1	149.3	148.9	60.1	0	0	0	0	120.4
360	T	37	Very low	39.8	Very low	110 Å²	110	117.7 Å²	117.7	68%	0.675	77%	0.774	S	S	*	*			cis	-175.3	172.4	-29	-48.6	0	0	0	0	104.2
361	T	38	Very low	39.6	Very low	120 Å²	120	118.6 Å²	118.6	74%	0.736	78%	0.781	S	S	*	*			trans	74.9	142.9	152.6	32.3	0	0	0	0	118
362	T	40.2	Very low	39.2	Very low	120 Å²	120	117.2 Å²	117.2	74%	0.736	78%	0.777	S	S	*	*			cis	-177.4	166.2	-12.2	17.6	0	0	0	0	107.8
363	S	40.9	Very low	39	Very low	113 Å²	113	121.4 Å²	121.4	79%	0.79	78%	0.784	S	S	*	*			trans	89.6	103.7	146.5	68	0	0	0	0	122.9
364	S	36.2	Very low	38.5	Very low	112 Å²	112	124.5 Å²	124.5	78%	0.783	79%	0.788	S	S	*	*			trans	-1	136.3	130.8	-156.9	0	0	0	0	121.3
365	T	40.5	Very low	38.2	Very low	151 Å²	151	128.2 Å²	128.2	93%	0.926	80%	0.799	S	S	*	*				-168.9	160.8	127.2	3.5	0	0	0	0	114.4
366	R	35.6	Very low	37.8	Very low	253 Å²	253	131.5 Å²	131.5	96%	0.955	80%	0.799	S	S	*	*			trans	-96.8	160.4	-160.9	-120.6	174	169.7	173.1	-4.7	114.2
367	G	38.5	Very low	37.4	Very low	68 Å²	68	131.1 Å²	131.1	70%	0.701	80%	0.797	S	S	*	*			trans	100.4	154.3	146.9	0	0	0	0	0	116.5
368	T	37.9	Very low	36.7	Very low	123 Å²	123	130.6 Å²	130.6	76%	0.755	80%	0.796	S	S	*	*			cis	-173.1	139.8	-4.2	-50.8	0	0	0	0	106.4
369	T	34.8	Very low	36.8	Very low	128 Å²	128	132.9 Å²	132.9	79%	0.785	80%	0.802	S	S	*	*			trans	48.7	133.4	150.3	60.9	0	0	0	0	123.6
370	A	36.7	Very low	36.6	Very low	94 Å²	94	131.5 Å²	131.5	78%	0.777	80%	0.797	S	S	*	*				141.3	123.2	107.3	0	0	0	0	0	115.9
371	A	36.9	Very low	36.7	Very low	108 Å²	108	135.1 Å²	135.1	89%	0.893	81%	0.806	S	S	*	*			trans	49.2	131.7	136.6	0	0	0	0	0	123.2
372	G	32.9	Very low	36.6	Very low	67 Å²	67	134.7 Å²	134.7	69%	0.691	80%	0.799	S	S	*	*				136.6	119.3	122.2	0	0	0	0	0	119.1
373	L	36.6	Very low	36.6	Very low	183 Å²	183	136.7 Å²	136.7	96%	0.958	80%	0.8	S	S	*	*			trans	104.4	126	134.6	-57.5	172.1	0	0	0	120.7
374	E	31.7	Very low	36.3	Very low	167 Å²	167	135.1 Å²	135.1	78%	0.78	79%	0.789	S	S	*	*			trans	-65.8	168.7	173.7	-61.7	-176.2	112.3	0	0	114.2
375	L	34.5	Very low	36.4	Very low	179 Å²	179	138.5 Å²	138.5	94%	0.937	79%	0.792	S	S	*	*				-167.3	139.9	126.6	-99.5	156.5	0	0	0	112.8
376	K	32.6	Very low	35.9	Very low	176 Å²	176	136.6 Å²	136.6	77%	0.765	79%	0.785	S	S	*	*			trans	-99.1	156.3	-180	-93.2	167.4	170.4	166.3	0	112.4
377	S	37.5	Very low	36.1	Very low	113 Å²	113	130 Å²	130	79%	0.79	78%	0.775	S	S	*	*			trans	172.1	126	139.2	43.6	0	0	0	0	107.3
378	S	34.2	Very low	35.6	Very low	103 Å²	103	133.8 Å²	133.8	72%	0.72	78%	0.778	S	S	*	*			cis	73.1	110.6	40.7	-48.8	0	0	0	0	114.3
379	I	40	Very low	35.4	Very low	178 Å²	178	134.5 Å²	134.5	91%	0.913	78%	0.775	S	S	*	*			trans	-173.4	145.2	134.4	-88.7	148.9	0	0	0	110.2
380	S	34.9	Very low	35.4	Very low	96 Å²	96	135.8 Å²	135.8	67%	0.671	77%	0.772	S	S	*	*			trans	-115.6	156.8	-161.4	50.2	0	0	0	0	114.2
381	H	38.7	Very low	35.1	Very low	185 Å²	185	138.1 Å²	138.1	86%	0.856	77%	0.767	S	S	*	*			trans	161.6	161.8	138.4	-113.5	46.4	0	0	0	110.5
382	D	37.3	Very low	35	Very low	111 Å²	111	139.2 Å²	139.2	59%	0.594	76%	0.763	S	S	*	*				-167.1	153.8	-55.3	-166.5	12.8	0	0	0	105.9
383	Q	38.8	Very low	34.8	Very low	162 Å²	162	140.7 Å²	140.7	76%	0.757	76%	0.762	S	S	*	*			trans	62.6	148.8	161.1	-71.1	167.6	48.8	0	0	120.1
384	S	35.1	Very low	34.7	Very low	81 Å²	81	138.6 Å²	138.6	57%	0.566	75%	0.752	S	S	*	*			cis	179	165.6	-13.9	52.2	0	0	0	0	107.6
385	H	38.7	Very low	34.7	Very low	182 Å²	182	139.8 Å²	139.8	84%	0.843	76%	0.755	S	S	*	*			trans	93.9	105.5	164.1	-61.1	-71.7	0	0	0	121.3
386	S	30.8	Very low	34.6	Very low	111 Å²	111	135.3 Å²	135.3	78%	0.776	74%	0.738	S	S	*	*			trans	-69.6	-179.1	150.4	-19.4	0	0	0	0	111.5
387	P	38.1	Very low	34.8	Very low	115 Å²	115	134.6 Å²	134.6	75%	0.747	74%	0.737	S	S	*	*			cis	-141.8	-177.1	-0.4	36.8	-14.5	0	0	0	115.9
388	L	29.8	Very low	34.6	Very low	147 Å²	147	135.5 Å²	135.5	77%	0.77	73%	0.733	S	S	*	*			trans	96	118.6	135.9	-154.7	68.1	0	0	0	121.2
389	M	33.6	Very low	34.4	Very low	139 Å²	139	137.8 Å²	137.8	69%	0.685	74%	0.736	S	S	*	*			trans	71.8	126.6	145	-70.8	-88.8	125.7	0	0	122
390	Q	33.8	Very low	34.1	Very low	155 Å²	155	133.6 Å²	133.6	72%	0.724	72%	0.722	S	S	*	*			trans	69.6	141.5	138.6	-77	179.6	-57.3	0	0	117.8
391	E	30.7	Very low	34.1	Very low	143 Å²	143	137.3 Å²	137.3	67%	0.668	73%	0.727	S	S	*	*			cis	-176.2	156.2	-10.2	-153.7	171.7	161.3	0	0	104.1
392	T	34.9	Very low	33.8	Very low	131 Å²	131	135.3 Å²	135.3	80%	0.804	72%	0.721	S	S	*	*			trans	81.7	119.2	160	74.1	0	0	0	0	120.2
393	S	29.1	Very low	33.5	Very low	98 Å²	98	135 Å²	135	69%	0.685	73%	0.727	S	S	*	*			trans	-81.7	142.2	179	52.1	0	0	0	0	113.4
394	N	33.7	Very low	33.4	Very low	139 Å²	139	132.7 Å²	132.7	74%	0.743	73%	0.729	S	S	*	*				173.1	131.9	125.7	-88.2	-34.5	0	0	0	111.9
395	K	31	Very low	33.1	Very low	191 Å²	191	134.9 Å²	134.9	83%	0.83	75%	0.745	S	S	*	*			trans	35.1	131.8	139.5	-65.4	173	179.3	172.3	0	117.4
396	S	32.9	Very low	33.2	Very low	85 Å²	85	131.6 Å²	131.6	59%	0.594	74%	0.742	S	S	*	*			cis	177.6	-177.2	40	29.2	0	0	0	0	107.8
397	H	37.4	Very low	33.5	Very low	161 Å²	161	132.5 Å²	132.5	75%	0.745	74%	0.743	S	S	*	*			trans	92.7	125.5	166.1	-55	-71.2	0	0	0	113.9
398	L	33.6	Very low	33.5	Very low	133 Å²	133	132.1 Å²	132.1	70%	0.696	74%	0.74	S	S	*	*			cis	-165.4	141.4	12.6	-94.3	146.1	0	0	0	107.5
399	L	30.6	Very low	34	Very low	150 Å²	150	130.6 Å²	130.6	79%	0.785	74%	0.739	S	S	*	*			trans	54.8	128.4	138.1	-48.7	174.6	0	0	0	118.3
400	S	32.5	Very low	34.1	Very low	90 Å²	90	131.6 Å²	131.6	63%	0.629	75%	0.746	S	S	*	*				173.3	155	57.6	55.5	0	0	0	0	113.1
401	F	34.4	Very low	34.3	Very low	175 Å²	175	129.9 Å²	129.9	77%	0.768	74%	0.742	S	S	*	*			trans	76.8	93.6	160.8	-61.1	-74.3	0	0	0	118.9
402	I	33.4	Very low	35	Very low	143 Å²	143	129.8 Å²	129.8	73%	0.733	75%	0.746	S	S	*	*				69.3	127.4	81	-67.6	177.7	0	0	0	110.6
403	S	30.4	Very low	35.5	Very low	103 Å²	103	130 Å²	130	72%	0.72	74%	0.742	S	S	*	*			cis	-179.3	129.5	-2.5	-89.5	0	0	0	0	106
404	S	36.7	Very low	36.6	Very low	114 Å²	114	132 Å²	132	80%	0.797	74%	0.74	S	S	*	*			trans	-179.3	107.6	145.6	52.5	0	0	0	0	110.5
405	S	30.2	Very low	37.5	Very low	128 Å²	128	130.2 Å²	130.2	90%	0.895	73%	0.731	S	S	*	*			trans	-5.2	110.2	168.1	60.8	0	0	0	0	118.7
406	S	39.6	Very low	38.4	Very low	112 Å²	112	129 Å²	129	78%	0.783	73%	0.726	S	S	*	*			trans	-121.1	111.5	156.5	64.6	0	0	0	0	109.2
407	V	36.2	Very low	39.9	Very low	131 Å²	131	127.7 Å²	127.7	79%	0.794	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-52.6	131.3	170.7	-168	0	0	0	0	109
408	P	38.5	Very low	41.1	Very low	106 Å²	106	120.8 Å²	120.8	69%	0.688	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-68.5	139.7	178.7	27.1	-31	0	0	0	110.1	L410	P408-L410 PolarHBondContact O-N 3.18Å
409	P	41.1	Very low	42.5	Very low	115 Å²	115	122 Å²	122	75%	0.747	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-73.8	121.6	-171.4	29.2	-31.9	0	0	0	110.9	L411	P409-L411 HydrophobicContact CB-CB 4.49Å; P409-L411 PolarHBondContact O-N 3Å
410	L	35.2	Very low	44.3	Very low	161 Å²	161	122 Å²	122	84%	0.843	67%	0.67	S	S	*	*			trans	-69.5	30.5	175.3	-104.3	153.6	0	0	0	113.9	P408	P408-L410 PolarHBondContact O-N 3.18Å
411	L	38.3	Very low	45.8	Very low	119 Å²	119	121.3 Å²	121.3	62%	0.623	65%	0.653	S	S	*	*			trans	-103.4	10	-159.6	-124.3	84.2	0	0	0	117.3	P409	P409-L411 HydrophobicContact CB-CB 4.49Å; P409-L411 PolarHBondContact O-N 3Å
412	N	45.3	Very low	47.2	Very low	141 Å²	141	114.2 Å²	114.2	75%	0.754	62%	0.623	S	S	*	*	S	Bend	trans	-105.8	-1.6	-174.9	-106.9	35.6	0	0	0	116.4
413	N	46.2	Very low	48.7	Very low	135 Å²	135	110.2 Å²	110.2	72%	0.722	60%	0.601	S	S	*	*	S	Bend	trans	-99.5	-25.1	179	-79.7	-15.9	0	0	0	113.9	D417	N413-D417 PolarHBondContact O-N 2.93Å
414	Q	52.2	Low	50.2	Low	139 Å²	139	109.2 Å²	109.2	65%	0.65	59%	0.588	S	S	*	*	H	α-helix	trans	-73.3	-41.3	-174.5	-74.5	177	-23.6	0	0	112.5	F416 D417 L418	Q414-F416 VanDerWaalsContact C-N 3.32Å; Q414-F416 PolarHBondContact O-N 3.2Å; Q414-D417 PolarHBondContact O-N 3.5Å; Q414-L418 WeakPolarHBondContact O-CB 3.33Å; Q414-L418 PolarHBondContact O-N 3.48Å
415	D	52.2	Low	51.4	Low	102 Å²	102	106 Å²	106	55%	0.545	56%	0.56	S	S	.	*	H	α-helix	trans	-62.6	-38.9	177.7	-73.6	-14.6	0	0	0	112.6	K419	D415-K419 WeakPolarHBondContact O-CB 3.22Å; D415-K419 PolarHBondContact O-N 3.04Å
416	F	50.3	Low	53	Low	167 Å²	167	106.1 Å²	106.1	73%	0.732	54%	0.541	S	S	*	.	H	α-helix	trans	-66.3	-40.8	176.7	-107.6	-83.3	0	0	0	111.7	Q414 R420	Q414-F416 VanDerWaalsContact C-N 3.32Å; Q414-F416 PolarHBondContact O-N 3.2Å; F416-R420 WeakPolarHBondContact O-CB 3.41Å; F416-R420 PolarHBondContact O-N 2.96Å
417	D	64.3	Low	53.9	Low	57 Å²	57	108.2 Å²	108.2	31%	0.305	53%	0.531	S	S	.	.	H	α-helix	trans	-69.6	-42.5	179	-159.5	21.7	0	0	0	111.2	N413 Q414 K419 R420 R421	N413-D417 PolarHBondContact O-N 2.93Å; Q414-D417 PolarHBondContact O-N 3.5Å; D417-K419 PolarHBondContact O-N 2.84Å; D417-R420 PolarHBondContact O-N 3.22Å; D417-R421 WeakPolarHBondContact O-CB 3.34Å; D417-R421 WeakPolarHBondContact O-CG 3.41Å; D417-R421 PolarHBondContact O-N 3.16Å; D417-R421 IonicContact OD1-NE 2.82Å; D417-R421 PolarHBondContact OD1-NE 2.91Å; D417-R421 IonicContact OD2-CZ 3.77Å; D417-R421 IonicContact OD2-NE 3.5Å; D417-R421 PolarHBondContact OD2-NE 2.84Å; D417-R421 VanDerWaalsContact OD2-NE 3.14Å; D417-R421 IonicContact OD2-NH2 3.95Å; D417-R421 PolarHBondContact OD2-NH2 2.83Å
418	L	62.7	Low	55.3	Low	15 Å²	15	106 Å²	106	8%	0.079	51%	0.509	C	S	.	.	H	α-helix	trans	-58.2	-46.7	173.6	179.9	58.2	0	0	0	111.7	E278 T282 Q414 R420 R421 L422	E278-L418 HydrophobicContact CB-CD1 4.24Å; E278-L418 VanDerWaalsContact CD-CD1 3.47Å; E278-L418 HydrophobicContact CG-CD1 3.7Å; T282-L418 HydrophobicContact CG2-CD2 3.99Å; Q414-L418 WeakPolarHBondContact O-CB 3.33Å; Q414-L418 PolarHBondContact O-N 3.48Å; L418-R420 VanDerWaalsContact C-N 3.33Å; L418-R420 PolarHBondContact O-N 3.15Å; L418-R421 PolarHBondContact O-N 3.29Å; L418-L422 HydrophobicContact CD1-CD1 4.28Å; L418-L422 HydrophobicContact CD1-CG 4.36Å; L418-L422 HydrophobicContact CG-CD1 4.09Å; L418-L422 WeakPolarHBondContact O-CB 3.35Å; L418-L422 WeakPolarHBondContact O-CG 3.43Å; L418-L422 PolarHBondContact O-N 3.3Å
419	K	63.3	Low	56.3	Low	158 Å²	158	102.8 Å²	102.8	69%	0.687	50%	0.495	S	S	*	.	H	α-helix	trans	-63.2	-39.5	178.4	-165.6	172.1	-172.9	176	0	112.1	D415 D417 E423	D415-K419 WeakPolarHBondContact O-CB 3.22Å; D415-K419 PolarHBondContact O-N 3.04Å; D417-K419 PolarHBondContact O-N 2.84Å; K419-E423 PolarHBondContact O-N 3.29Å; K419-E423 VanDerWaalsContact O-N 3.14Å
420	R	66.6	Low	57.2	Low	150 Å²	150	101.7 Å²	101.7	57%	0.566	48%	0.476	S	S	*	.	H	α-helix	trans	-65.5	-43.8	175.3	-177.2	174.4	177.3	-103.7	-1.8	111.6	F416 D417 L418 E423 L424	F416-R420 WeakPolarHBondContact O-CB 3.41Å; F416-R420 PolarHBondContact O-N 2.96Å; D417-R420 PolarHBondContact O-N 3.22Å; L418-R420 VanDerWaalsContact C-N 3.33Å; L418-R420 PolarHBondContact O-N 3.15Å; R420-E423 PolarHBondContact O-N 3.12Å; R420-L424 WeakPolarHBondContact O-CG 3.24Å; R420-L424 PolarHBondContact O-N 3.26Å
421	R	64.5	Low	58.1	Low	76 Å²	76	98.6 Å²	98.6	29%	0.287	46%	0.46	S	S	.	.	H	α-helix	trans	-63.8	-42.4	177	-69.6	169.3	-172.1	-168.1	-1.2	112	L275 E278 D417 L418 E423 L424 H425	L275-R421 HydrophobicContact CD2-CB 4.05Å; E278-R421 IonicContact OE1-NH1 3.99Å; E278-R421 IonicContact OE2-NH1 3.36Å; D417-R421 WeakPolarHBondContact O-CB 3.34Å; D417-R421 WeakPolarHBondContact O-CG 3.41Å; D417-R421 PolarHBondContact O-N 3.16Å; D417-R421 IonicContact OD1-NE 2.82Å; D417-R421 PolarHBondContact OD1-NE 2.91Å; D417-R421 IonicContact OD2-CZ 3.77Å; D417-R421 IonicContact OD2-NE 3.5Å; D417-R421 PolarHBondContact OD2-NE 2.84Å; D417-R421 VanDerWaalsContact OD2-NE 3.14Å; D417-R421 IonicContact OD2-NH2 3.95Å; D417-R421 PolarHBondContact OD2-NH2 2.83Å; L418-R421 PolarHBondContact O-N 3.29Å; R421-E423 VanDerWaalsContact C-N 3.34Å; R421-E423 PolarHBondContact O-N 2.77Å; R421-L424 PolarHBondContact O-N 3.2Å; R421-H425 PolarHBondContact O-N 3.36Å
422	L	64.5	Low	59.1	Low	27 Å²	27	100.1 Å²	100.1	14%	0.141	46%	0.457	C	S	.	.	H	α-helix	trans	-59.8	-41.1	173.9	-77.4	165.9	0	0	0	112.2	L275 L418 H425 R426	L275-L422 HydrophobicContact CD2-CD2 4.31Å; L275-L422 HydrophobicContact CD2-CG 4.48Å; L418-L422 HydrophobicContact CD1-CD1 4.28Å; L418-L422 HydrophobicContact CD1-CG 4.36Å; L418-L422 HydrophobicContact CG-CD1 4.09Å; L418-L422 WeakPolarHBondContact O-CB 3.35Å; L418-L422 WeakPolarHBondContact O-CG 3.43Å; L418-L422 PolarHBondContact O-N 3.3Å; L422-H425 PolarHBondContact O-N 3.43Å; L422-R426 WeakPolarHBondContact O-CG 3.31Å; L422-R426 PolarHBondContact O-N 2.73Å
423	E	64.7	Low	59.6	Low	58 Å²	58	94.3 Å²	94.3	27%	0.271	43%	0.429	S	S	.	.	H	α-helix	trans	-68.9	-40.4	177.4	-175	53	-144.1	0	0	112.2	K419 R420 R421 H425 R426 R427 R430	K419-E423 PolarHBondContact O-N 3.29Å; K419-E423 VanDerWaalsContact O-N 3.14Å; R420-E423 PolarHBondContact O-N 3.12Å; R421-E423 VanDerWaalsContact C-N 3.34Å; R421-E423 PolarHBondContact O-N 2.77Å; E423-H425 VanDerWaalsContact C-N 3.3Å; E423-H425 PolarHBondContact O-N 3.33Å; E423-R426 PolarHBondContact O-N 2.59Å; E423-R427 WeakPolarHBondContact O-CG 3.47Å; E423-R427 PolarHBondContact O-N 3.29Å; E423-R427 IonicContact OE1-NE 3.04Å; E423-R430 IonicContact OE1-CZ 3.43Å; E423-R430 IonicContact OE1-NH1 2.8Å; E423-R430 IonicContact OE1-NH2 3.6Å; E423-R430 PolarHBondContact OE1-NH2 2.78Å
424	L	61.6	Low	59.9	Low	82 Å²	82	92.7 Å²	92.7	43%	0.429	41%	0.413	S	S	.	.	H	α-helix	trans	-60.6	-41.1	173.3	-72.8	172.6	0	0	0	111.7	R420 R421 R427 R428	R420-L424 WeakPolarHBondContact O-CG 3.24Å; R420-L424 PolarHBondContact O-N 3.26Å; R421-L424 PolarHBondContact O-N 3.2Å; L424-R427 WeakPolarHBondContact O-CB 3.28Å; L424-R427 PolarHBondContact O-N 3.47Å; L424-R428 WeakPolarHBondContact O-CB 3.45Å; L424-R428 PolarHBondContact O-N 3.09Å
425	H	62.2	Low	60.1	Low	47 Å²	47	90.1 Å²	90.1	22%	0.218	40%	0.403	C	S	.	.	H	α-helix	trans	-62.5	-46.1	174.5	173.6	-94.8	0	0	0	112.6	D272 L275 R421 L422 E423 R427 R428 G429	D272-H425 IonicContact OD1-CD2 2.69Å; D272-H425 PolarHBondContact OD1-CD2 3.28Å; D272-H425 IonicContact OD1-NE2 3.25Å; D272-H425 PolarHBondContact OD1-NE2 3.05Å; L275-H425 HydrophobicContact CD1-CB 3.34Å; L275-H425 WeakPolarHBondContact CD1-CD2 3.47Å; L275-H425 VanDerWaalsContact CD1-CG 3.41Å; R421-H425 PolarHBondContact O-N 3.36Å; L422-H425 PolarHBondContact O-N 3.43Å; E423-H425 VanDerWaalsContact C-N 3.3Å; E423-H425 PolarHBondContact O-N 3.33Å; H425-R427 VanDerWaalsContact C-N 3.31Å; H425-R427 PolarHBondContact O-N 3.47Å; H425-R428 PolarHBondContact O-N 2.82Å; H425-G429 PolarHBondContact O-N 2.85Å
426	R	64.3	Low	60.6	Low	130 Å²	130	93.5 Å²	93.5	49%	0.491	41%	0.409	S	S	.	.	H	α-helix	trans	-59.8	-42	174.8	-71.4	178.2	-179	138	3.2	111.5	L422 E423 G429 R430	L422-R426 WeakPolarHBondContact O-CG 3.31Å; L422-R426 PolarHBondContact O-N 2.73Å; E423-R426 PolarHBondContact O-N 2.59Å; R426-G429 PolarHBondContact O-N 3.28Å; R426-R430 WeakPolarHBondContact O-CG 3.47Å; R426-R430 PolarHBondContact O-N 2.95Å
427	R	58.4	Low	60.7	Low	156 Å²	156	88.6 Å²	88.6	59%	0.589	39%	0.385	S	S	*	.	H	α-helix	trans	-60.3	-44.9	173.5	-75.7	178.9	178.7	-149.3	-2.9	112.1	E423 L424 H425 R430 L431	E423-R427 WeakPolarHBondContact O-CG 3.47Å; E423-R427 PolarHBondContact O-N 3.29Å; E423-R427 IonicContact OE1-NE 3.04Å; L424-R427 WeakPolarHBondContact O-CB 3.28Å; L424-R427 PolarHBondContact O-N 3.47Å; H425-R427 VanDerWaalsContact C-N 3.31Å; H425-R427 PolarHBondContact O-N 3.47Å; R427-R430 PolarHBondContact O-N 3.15Å; R427-L431 PolarHBondContact O-N 2.92Å
428	R	64.1	Low	60.4	Low	85 Å²	85	90.1 Å²	90.1	32%	0.321	39%	0.393	S	S	.	.	H	α-helix	trans	-61.8	-45.5	177.1	-167.4	173.1	76.5	-177.1	-0.9	111	F270 D272 L424 H425 R430 L431 W432	F270-R428 PolarHBondContact O-NH1 3.13Å; F270-R428 VanDerWaalsContact O-NH1 3.13Å; F270-R428 PolarHBondContact O-NH2 3.48Å; D272-R428 IonicContact OD1-CZ 3.2Å; D272-R428 IonicContact OD1-NH2 3.03Å; D272-R428 PolarHBondContact OD1-NH2 3.23Å; L424-R428 WeakPolarHBondContact O-CB 3.45Å; L424-R428 PolarHBondContact O-N 3.09Å; H425-R428 PolarHBondContact O-N 2.82Å; R428-R430 PolarHBondContact O-N 2.84Å; R428-L431 WeakPolarHBondContact O-CB 3.23Å; R428-L431 PolarHBondContact O-N 2.94Å; R428-W432 PolarHBondContact O-N 3.29Å
429	G	61.3	Low	60.2	Low	39 Å²	39	95.3 Å²	95.3	40%	0.402	42%	0.415	S	S	.	.	H	α-helix	trans	-59.3	-44.2	175.1	0	0	0	0	0	113	H425 R426 L431 W432 A433	H425-G429 PolarHBondContact O-N 2.85Å; R426-G429 PolarHBondContact O-N 3.28Å; G429-L431 PolarHBondContact O-N 3.31Å; G429-W432 PolarHBondContact O-N 2.77Å; G429-A433 WeakPolarHBondContact O-CB 3.49Å; G429-A433 PolarHBondContact O-N 3.31Å
430	R	59.8	Low	59.8	Low	92 Å²	92	90.5 Å²	90.5	35%	0.347	40%	0.395	S	S	.	.	H	α-helix	trans	-60.5	-44	174.2	-71.7	-170.7	-65.5	-94.6	10.1	111.9	E423 R426 R427 R428 A433 R434	E423-R430 IonicContact OE1-CZ 3.43Å; E423-R430 IonicContact OE1-NH1 2.8Å; E423-R430 IonicContact OE1-NH2 3.6Å; E423-R430 PolarHBondContact OE1-NH2 2.78Å; R426-R430 WeakPolarHBondContact O-CG 3.47Å; R426-R430 PolarHBondContact O-N 2.95Å; R427-R430 PolarHBondContact O-N 3.15Å; R428-R430 PolarHBondContact O-N 2.84Å; R430-A433 PolarHBondContact O-N 2.85Å; R430-R434 PolarHBondContact O-N 3.41Å
431	L	54.2	Low	59.2	Low	95 Å²	95	87.8 Å²	87.8	50%	0.497	39%	0.389	S	S	.	.	H	α-helix	trans	-63	-45.6	177.3	-177.1	66.9	0	0	0	112	R427 R428 G429 R434 L435	R427-L431 PolarHBondContact O-N 2.92Å; R428-L431 WeakPolarHBondContact O-CB 3.23Å; R428-L431 PolarHBondContact O-N 2.94Å; G429-L431 PolarHBondContact O-N 3.31Å; L431-R434 WeakPolarHBondContact O-CB 3.49Å; L431-R434 PolarHBondContact O-N 3.03Å; L431-L435 HydrophobicContact CG-CD1 4.05Å; L431-L435 PolarHBondContact O-N 2.92Å
432	W	59	Low	58.7	Low	151 Å²	151	86.5 Å²	86.5	57%	0.572	40%	0.395	S	S	*	.	H	α-helix	trans	-67.2	-35.4	178.2	-79.2	110.8	0	0	0	113	R428 G429 R434 L435 R436	R428-W432 PolarHBondContact O-N 3.29Å; G429-W432 PolarHBondContact O-N 2.77Å; W432-R434 VanDerWaalsContact C-N 3.35Å; W432-L435 HydrophobicContact CE3-CD1 4.28Å; W432-R436 WeakPolarHBondContact O-CB 3.46Å; W432-R436 WeakPolarHBondContact O-CG 3.01Å; W432-R436 PolarHBondContact O-N 3.18Å
433	A	55.2	Low	58.4	Low	20 Å²	20	91 Å²	91	17%	0.165	41%	0.41	C	S	.	.	H	α-helix	trans	-61.7	-44.2	171.1	0	0	0	0	0	111.1	G429 R430 R436 R437	G429-A433 WeakPolarHBondContact O-CB 3.49Å; G429-A433 PolarHBondContact O-N 3.31Å; R430-A433 PolarHBondContact O-N 2.85Å; A433-R436 PolarHBondContact O-N 2.88Å; A433-R437 PolarHBondContact O-N 2.88Å
434	R	52.5	Low	57.7	Low	100 Å²	100	91.9 Å²	91.9	38%	0.377	41%	0.411	S	S	.	.	H	α-helix	trans	-62.8	-46.6	175.5	-167.4	-180	-69.5	176.5	-3.8	112	R430 L431 W432 R436 R437 N438	R430-R434 PolarHBondContact O-N 3.41Å; L431-R434 WeakPolarHBondContact O-CB 3.49Å; L431-R434 PolarHBondContact O-N 3.03Å; W432-R434 VanDerWaalsContact C-N 3.35Å; R434-R436 PolarHBondContact O-N 3.1Å; R434-R437 PolarHBondContact O-N 2.74Å; R434-N438 WeakPolarHBondContact O-CB 3.27Å; R434-N438 PolarHBondContact O-N 3.07Å; R434-N438 PolarHBondContact O-OD1 2.91Å
435	L	57.3	Low	57.1	Low	86 Å²	86	96.2 Å²	96.2	45%	0.45	42%	0.421	S	S	.	.	H	α-helix	trans	-60.9	-41.5	175.9	-81.4	161.8	0	0	0	112.3	L431 W432 K439	L431-L435 HydrophobicContact CG-CD1 4.05Å; L431-L435 PolarHBondContact O-N 2.92Å; W432-L435 HydrophobicContact CE3-CD1 4.28Å; L435-K439 WeakPolarHBondContact O-CB 2.97Å; L435-K439 PolarHBondContact O-N 3.3Å
436	R	62.6	Low	57	Low	173 Å²	173	97.5 Å²	97.5	65%	0.653	43%	0.433	S	S	*	.	H	α-helix	trans	-63.7	-43.9	175.5	-79.1	-172.4	-68.2	-170.4	0.4	111.7	W432 A433 R434 K439 E440	W432-R436 WeakPolarHBondContact O-CB 3.46Å; W432-R436 WeakPolarHBondContact O-CG 3.01Å; W432-R436 PolarHBondContact O-N 3.18Å; A433-R436 PolarHBondContact O-N 2.88Å; R434-R436 PolarHBondContact O-N 3.1Å; R436-K439 PolarHBondContact O-N 3.3Å; R436-E440 WeakPolarHBondContact O-CB 3.22Å; R436-E440 PolarHBondContact O-N 3.32Å
437	R	51.5	Low	56.5	Low	63 Å²	63	96.5 Å²	96.5	24%	0.238	43%	0.429	C	S	.	.	H	α-helix	trans	-62.7	-50.4	175.2	-80.1	-164.9	-101.2	102.6	-8.3	111.9	N84 E87 A433 R434 K439 E440 E441	N84-R437 PolarHBondContact ND2-NH2 3.5Å; E87-R437 IonicContact OE2-CZ 3.67Å; E87-R437 VanDerWaalsContact OE2-CZ 3.27Å; E87-R437 IonicContact OE2-NE 2.93Å; E87-R437 PolarHBondContact OE2-NE 3Å; E87-R437 IonicContact OE2-NH2 3.62Å; E87-R437 PolarHBondContact OE2-NH2 3.45Å; A433-R437 PolarHBondContact O-N 2.88Å; R434-R437 PolarHBondContact O-N 2.74Å; R437-K439 VanDerWaalsContact C-N 3.29Å; R437-K439 PolarHBondContact O-N 3.45Å; R437-E440 CarbonylContact O-C 3.6Å; R437-E440 PolarHBondContact O-N 3.4Å; R437-E440 VanDerWaalsContact O-N 3.09Å; R437-E441 WeakPolarHBondContact O-CB 3.5Å; R437-E441 WeakPolarHBondContact O-CG 2.85Å; R437-E441 PolarHBondContact O-N 2.83Å
438	N	58.9	Low	56.2	Low	89 Å²	89	93.6 Å²	93.6	48%	0.476	43%	0.425	S	S	.	.	H	α-helix	trans	-60.1	-39.1	177.6	-73.9	15.5	0	0	0	112.1	R434 A442	R434-N438 WeakPolarHBondContact O-CB 3.27Å; R434-N438 PolarHBondContact O-N 3.07Å; R434-N438 PolarHBondContact O-OD1 2.91Å; N438-A442 WeakPolarHBondContact O-CB 3.2Å; N438-A442 PolarHBondContact O-N 2.8Å
439	K	57.6	Low	55.7	Low	125 Å²	125	93.1 Å²	93.1	54%	0.543	43%	0.431	S	S	.	.	H	α-helix	trans	-65.9	-38.7	175.8	-175.5	175.1	-176	173	0	111.9	L435 R436 R437 R443	L435-K439 WeakPolarHBondContact O-CB 2.97Å; L435-K439 PolarHBondContact O-N 3.3Å; R436-K439 PolarHBondContact O-N 3.3Å; R437-K439 VanDerWaalsContact C-N 3.29Å; R437-K439 PolarHBondContact O-N 3.45Å; K439-R443 WeakPolarHBondContact O-CB 3.36Å; K439-R443 VanDerWaalsContact O-CG 3.27Å; K439-R443 WeakPolarHBondContact O-CG 3.37Å; K439-R443 PolarHBondContact O-N 2.85Å
440	E	55.5	Low	55.3	Low	56 Å²	56	96.5 Å²	96.5	26%	0.262	44%	0.436	S	S	.	.	H	α-helix	trans	-72.7	-40.5	177.1	-170	57.4	-154.8	0	0	111.8	R436 R437 R443 R444	R436-E440 WeakPolarHBondContact O-CB 3.22Å; R436-E440 PolarHBondContact O-N 3.32Å; R437-E440 CarbonylContact O-C 3.6Å; R437-E440 PolarHBondContact O-N 3.4Å; R437-E440 VanDerWaalsContact O-N 3.09Å; E440-R443 WeakPolarHBondContact O-CB 3.19Å; E440-R443 PolarHBondContact O-N 2.72Å; E440-R443 IonicContact OE2-NH1 3.74Å; E440-R444 VanDerWaalsContact O-CG 3.29Å; E440-R444 WeakPolarHBondContact O-CG 3.49Å; E440-R444 PolarHBondContact O-N 2.88Å
441	E	52.6	Low	54.6	Low	93 Å²	93	96.2 Å²	96.2	44%	0.435	44%	0.44	S	S	.	.	H	α-helix	trans	-60.9	-46.2	171.1	-74.7	179.6	174.8	0	0	111.2	R437 R443 R444 W445	R437-E441 WeakPolarHBondContact O-CB 3.5Å; R437-E441 WeakPolarHBondContact O-CG 2.85Å; R437-E441 PolarHBondContact O-N 2.83Å; E441-R443 VanDerWaalsContact C-N 3.32Å; E441-R443 PolarHBondContact O-N 3.45Å; E441-R444 WeakPolarHBondContact O-CA 3.37Å; E441-R444 WeakPolarHBondContact O-CB 3.49Å; E441-R444 PolarHBondContact O-N 2.81Å; E441-R444 VanDerWaalsContact O-N 3.09Å; E441-W445 PolarHBondContact O-N 3Å
442	A	54.1	Low	54.3	Low	50 Å²	50	95.3 Å²	95.3	41%	0.413	44%	0.44	S	S	.	.	H	α-helix	trans	-58.6	-43.6	174.4	0	0	0	0	0	111.7	N438 R444 W445 T446	N438-A442 WeakPolarHBondContact O-CB 3.2Å; N438-A442 PolarHBondContact O-N 2.8Å; A442-R444 VanDerWaalsContact C-N 3.33Å; A442-R444 PolarHBondContact O-N 3.5Å; A442-W445 PolarHBondContact O-N 2.87Å; A442-T446 PolarHBondContact O-N 2.79Å; A442-T446 PolarHBondContact O-OG1 2.8Å
443	R	59.9	Low	53.8	Low	122 Å²	122	94.3 Å²	94.3	46%	0.46	45%	0.445	S	S	.	.	H	α-helix	trans	-61.8	-38.6	173.7	-78.4	171.5	172.2	-179.5	-5.5	112.8	K439 E440 E441 R447	K439-R443 WeakPolarHBondContact O-CB 3.36Å; K439-R443 VanDerWaalsContact O-CG 3.27Å; K439-R443 WeakPolarHBondContact O-CG 3.37Å; K439-R443 PolarHBondContact O-N 2.85Å; E440-R443 WeakPolarHBondContact O-CB 3.19Å; E440-R443 PolarHBondContact O-N 2.72Å; E440-R443 IonicContact OE2-NH1 3.74Å; E441-R443 VanDerWaalsContact C-N 3.32Å; E441-R443 PolarHBondContact O-N 3.45Å; R443-R447 WeakPolarHBondContact O-CB 3.25Å; R443-R447 WeakPolarHBondContact O-CG 3.33Å; R443-R447 PolarHBondContact O-N 2.51Å
444	R	48.9	Very low	53.6	Low	75 Å²	75	98.2 Å²	98.2	28%	0.283	47%	0.467	S	S	.	.	H	α-helix	trans	-62.4	-46.5	174.4	-73.1	169.4	-178	173.6	-5	110.6	C206 E440 E441 A442 R447 L448	C206-R444 PolarHBondContact SG-NE 3.02Å; E440-R444 VanDerWaalsContact O-CG 3.29Å; E440-R444 WeakPolarHBondContact O-CG 3.49Å; E440-R444 PolarHBondContact O-N 2.88Å; E441-R444 WeakPolarHBondContact O-CA 3.37Å; E441-R444 WeakPolarHBondContact O-CB 3.49Å; E441-R444 PolarHBondContact O-N 2.81Å; E441-R444 VanDerWaalsContact O-N 3.09Å; A442-R444 VanDerWaalsContact C-N 3.33Å; A442-R444 PolarHBondContact O-N 3.5Å; R444-R447 PolarHBondContact O-N 3.03Å; R444-L448 WeakPolarHBondContact O-CG 3.45Å; R444-L448 PolarHBondContact O-N 3.36Å
445	W	49.4	Very low	53.2	Low	173 Å²	173	98.7 Å²	98.7	66%	0.655	48%	0.477	S	S	*	.	H	α-helix	trans	-60.9	-48.6	175.5	-74.4	111.6	0	0	0	112.1	E441 A442 R447 L448 V449	E441-W445 PolarHBondContact O-N 3Å; A442-W445 PolarHBondContact O-N 2.87Å; W445-R447 PolarHBondContact O-N 2.78Å; W445-L448 PolarHBondContact O-N 2.79Å; W445-V449 WeakPolarHBondContact O-CG2 3.28Å; W445-V449 PolarHBondContact O-N 3.49Å
446	T	60.7	Low	52.3	Low	74 Å²	74	100.3 Å²	100.3	45%	0.454	50%	0.495	S	S	.	.	H	α-helix	trans	-59.4	-43.7	178.3	-54.1	0	0	0	0	112	A442 V449 E450	A442-T446 PolarHBondContact O-N 2.79Å; A442-T446 PolarHBondContact O-OG1 2.8Å; T446-V449 PolarHBondContact O-N 2.81Å; T446-E450 HydrophobicContact CG2-CG 4.38Å; T446-E450 WeakPolarHBondContact O-CG 3.4Å; T446-E450 PolarHBondContact O-N 2.81Å
447	R	52.7	Low	51.1	Low	110 Å²	110	96.4 Å²	96.4	42%	0.415	49%	0.487	S	S	.	.	H	α-helix	trans	-66.5	-38.8	177.9	-77.7	-174.5	-171.1	154.1	2	113.1	R443 R444 W445 V449 E450 M451	R443-R447 WeakPolarHBondContact O-CB 3.25Å; R443-R447 WeakPolarHBondContact O-CG 3.33Å; R443-R447 PolarHBondContact O-N 2.51Å; R444-R447 PolarHBondContact O-N 3.03Å; W445-R447 PolarHBondContact O-N 2.78Å; R447-V449 VanDerWaalsContact C-N 3.3Å; R447-V449 PolarHBondContact O-N 3.25Å; R447-E450 PolarHBondContact O-N 2.87Å; R447-M451 WeakPolarHBondContact O-CB 3.35Å; R447-M451 WeakPolarHBondContact O-CG 3.38Å; R447-M451 PolarHBondContact O-N 3.11Å
448	L	53.1	Low	50.1	Low	95 Å²	95	102.8 Å²	102.8	50%	0.497	52%	0.52	S	S	.	.	H	α-helix	trans	-60.8	-43.5	174.9	-74.3	169	0	0	0	110.3	R444 W445 M451 C452	R444-L448 WeakPolarHBondContact O-CG 3.45Å; R444-L448 PolarHBondContact O-N 3.36Å; W445-L448 PolarHBondContact O-N 2.79Å; L448-M451 PolarHBondContact O-N 2.86Å; L448-C452 PolarHBondContact O-N 3.03Å; L448-C452 VanDerWaalsContact O-N 3.1Å; L448-C452 PolarHBondContact O-SG 3.09Å
449	V	52.9	Low	48.9	Very low	74 Å²	74	104.4 Å²	104.4	45%	0.448	53%	0.527	S	S	.	.	H	α-helix	trans	-62.9	-46.5	174.5	174.3	0	0	0	0	111.9	W445 T446 R447 M451 C452 I453	W445-V449 WeakPolarHBondContact O-CG2 3.28Å; W445-V449 PolarHBondContact O-N 3.49Å; T446-V449 PolarHBondContact O-N 2.81Å; R447-V449 VanDerWaalsContact C-N 3.3Å; R447-V449 PolarHBondContact O-N 3.25Å; V449-M451 PolarHBondContact O-N 2.88Å; V449-C452 WeakPolarHBondContact O-CB 3.3Å; V449-C452 PolarHBondContact O-N 3.45Å; V449-I453 HydrophobicContact CG1-CD1 4.1Å; V449-I453 WeakPolarHBondContact O-CG1 3.48Å; V449-I453 PolarHBondContact O-N 3.44Å; V449-I453 VanDerWaalsContact O-N 3.15Å
450	E	52	Low	47.4	Very low	111 Å²	111	106.4 Å²	106.4	52%	0.519	54%	0.54	S	S	.	.	H	α-helix	trans	-65.1	-35.4	178.7	-73.5	173.7	173.1	0	0	113.2	T446 R447 I453 T454	T446-E450 HydrophobicContact CG2-CG 4.38Å; T446-E450 WeakPolarHBondContact O-CG 3.4Å; T446-E450 PolarHBondContact O-N 2.81Å; R447-E450 PolarHBondContact O-N 2.87Å; E450-I453 PolarHBondContact O-N 3.4Å; E450-T454 PolarHBondContact O-N 2.97Å; E450-T454 PolarHBondContact O-OG1 3Å
451	M	46.7	Very low	46.3	Very low	85 Å²	85	109.1 Å²	109.1	42%	0.419	56%	0.557	S	S	.	*	H	α-helix	trans	-68.8	-33.1	173.5	-77.2	-169.1	70.5	0	0	112.6	H207 R447 L448 V449 I453 T454	H207-M451 PolarHBondContact NE2-SD 3.48Å; R447-M451 WeakPolarHBondContact O-CB 3.35Å; R447-M451 WeakPolarHBondContact O-CG 3.38Å; R447-M451 PolarHBondContact O-N 3.11Å; L448-M451 PolarHBondContact O-N 2.86Å; V449-M451 PolarHBondContact O-N 2.88Å; M451-I453 VanDerWaalsContact C-N 3.35Å; M451-T454 WeakPolarHBondContact CA-OG1 3.4Å; M451-T454 PolarHBondContact O-OG1 3.26Å
452	C	46.8	Very low	45.4	Very low	76 Å²	76	108.1 Å²	108.1	51%	0.514	56%	0.558	S	S	.	*	H	α-helix	trans	-66.6	-36	173.3	-70.1	0	0	0	0	112	L448 V449	L448-C452 PolarHBondContact O-N 3.03Å; L448-C452 VanDerWaalsContact O-N 3.1Å; L448-C452 PolarHBondContact O-SG 3.09Å; V449-C452 WeakPolarHBondContact O-CB 3.3Å; V449-C452 PolarHBondContact O-N 3.45Å
453	I	49.9	Very low	44.5	Very low	131 Å²	131	112.2 Å²	112.2	67%	0.672	57%	0.569	S	S	*	*	H	α-helix	trans	-71.3	-31.6	179	-64.1	163.9	0	0	0	112.1	V449 E450 M451	V449-I453 HydrophobicContact CG1-CD1 4.1Å; V449-I453 WeakPolarHBondContact O-CG1 3.48Å; V449-I453 PolarHBondContact O-N 3.44Å; V449-I453 VanDerWaalsContact O-N 3.15Å; E450-I453 PolarHBondContact O-N 3.4Å; M451-I453 VanDerWaalsContact C-N 3.35Å
454	T	49.8	Very low	43.1	Very low	102 Å²	102	110.5 Å²	110.5	63%	0.626	57%	0.573	S	S	*	*	H	α-helix	trans	-86.6	-19.2	-172.4	42.9	0	0	0	0	115.2	E450 M451	E450-T454 PolarHBondContact O-N 2.97Å; E450-T454 PolarHBondContact O-OG1 3Å; M451-T454 WeakPolarHBondContact CA-OG1 3.4Å; M451-T454 PolarHBondContact O-OG1 3.26Å
455	N	44.1	Very low	42.9	Very low	110 Å²	110	109.7 Å²	109.7	59%	0.588	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.2	9.1	-170.8	-78	-19.8	0	0	0	116	L457	N455-L457 PolarHBondContact O-N 2.79Å
456	S	39.8	Very low	42.9	Very low	119 Å²	119	109.9 Å²	109.9	83%	0.832	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	47.4	31	175.3	-50.7	0	0	0	0	115.1
457	L	35.5	Very low	43.2	Very low	91 Å²	91	107.8 Å²	107.8	48%	0.476	57%	0.572	S	S	.	*			trans	-99.9	112.9	174.4	-146.2	81.7	0	0	0	107.1	N455 I459	N455-L457 PolarHBondContact O-N 2.79Å; L457-I459 HydrophobicContact CD2-CG1 4.5Å; L457-I459 PolarHBondContact O-N 2.82Å
458	E	31.9	Very low	44.3	Very low	198 Å²	198	103.3 Å²	103.3	93%	0.925	56%	0.559	S	S	*	*			trans	-62.7	86.8	168.4	-74.1	-177.4	172	0	0	109
459	I	32.9	Very low	46	Very low	123 Å²	123	99 Å²	99	63%	0.631	54%	0.536	S	S	*	.			trans	-93	110.8	148.2	-60.2	178.8	0	0	0	103.6	L457 D461	L457-I459 HydrophobicContact CD2-CG1 4.5Å; L457-I459 PolarHBondContact O-N 2.82Å; I459-D461 VanDerWaalsContact C-N 3.35Å; I459-D461 PolarHBondContact O-N 2.98Å
460	M	27	Very low	47.7	Very low	167 Å²	167	95.6 Å²	95.6	82%	0.823	52%	0.516	S	S	*	.			trans	-48.5	105.2	163.8	-69.7	-175.9	68.3	0	0	108	P462	M460-P462 VanDerWaalsContact C-CD 3.43Å; M460-P462 WeakPolarHBondContact O-CD 3.4Å
461	D	31.5	Very low	49.5	Very low	113 Å²	113	91 Å²	91	60%	0.604	50%	0.496	S	S	*	.			trans	-98.4	92.2	159.4	-170.9	22.9	0	0	0	106.8	I459 Q463	I459-D461 VanDerWaalsContact C-N 3.35Å; I459-D461 PolarHBondContact O-N 2.98Å; D461-Q463 PolarHBondContact O-N 3.33Å; D461-Q463 WeakPolarHBondContact OD1-CG 3.41Å; D461-Q463 PolarHBondContact OD1-N 2.85Å
462	P	33.9	Very low	51.5	Low	72 Å²	72	87.1 Å²	87.1	47%	0.468	48%	0.477	S	S	.	.			trans	-85.3	81.7	149.5	34.2	-21.7	0	0	0	105.1	M460 P464 A465	M460-P462 VanDerWaalsContact C-CD 3.43Å; M460-P462 WeakPolarHBondContact O-CD 3.4Å; P462-P464 CarbonylContact O-C 2.95Å; P462-A465 PolarHBondContact O-N 3.1Å
463	Q	35.3	Very low	53.2	Low	136 Å²	136	84.6 Å²	84.6	64%	0.636	46%	0.459	S	S	*	.	S	Bend	trans	-69.2	101.8	134.7	-82.9	-61.8	-26.7	0	0	104.1	D461	D461-Q463 PolarHBondContact O-N 3.33Å; D461-Q463 WeakPolarHBondContact OD1-CG 3.41Å; D461-Q463 PolarHBondContact OD1-N 2.85Å
464	P	29.8	Very low	54.3	Low	86 Å²	86	78.7 Å²	78.7	56%	0.558	43%	0.431	S	S	*	.			cis	-108.8	115.8	41.1	33.7	-22.8	0	0	0	112.3	P462 Y466	P462-P464 CarbonylContact O-C 2.95Å; P464-Y466 HydrophobicContact CB-CD2 3.92Å; P464-Y466 PolarHBondContact O-N 3.25Å
465	A	46.1	Very low	55	Low	58 Å²	58	76.8 Å²	76.8	48%	0.479	42%	0.422	S	S	.	.			trans	-79.1	46.6	164.4	0	0	0	0	0	109.8	P462 P467	P462-A465 PolarHBondContact O-N 3.1Å; A465-P467 WeakPolarHBondContact O-CA 3.29Å
466	Y	48.5	Very low	55.7	Low	176 Å²	176	75.1 Å²	75.1	69%	0.69	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	125.4	160.4	-88	-85.7	0	0	0	107.1	P464	P464-Y466 HydrophobicContact CB-CD2 3.92Å; P464-Y466 PolarHBondContact O-N 3.25Å
467	P	66.4	Low	57.2	Low	31 Å²	31	70.5 Å²	70.5	20%	0.201	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	cis	-135.6	135.3	-21.9	4.6	23.2	0	0	0	114.1	A465 N569 Y572	A465-P467 WeakPolarHBondContact O-CA 3.29Å; P467-N569 VanDerWaalsContact CB-ND2 3.31Å; P467-N569 WeakPolarHBondContact CB-ND2 3.08Å; P467-Y572 HydrophobicContact CB-CD1 3.5Å; P467-Y572 VanDerWaalsContact CB-CD1 3.5Å; P467-Y572 HydrophobicContact CB-CD2 4.08Å; P467-Y572 HydrophobicContact CB-CE1 4.09Å; P467-Y572 HydrophobicContact CB-CG 3.49Å; P467-Y572 VanDerWaalsContact CB-CG 3.49Å; P467-Y572 HydrophobicContact CG-CD1 3.57Å; P467-Y572 HydrophobicContact CG-CD2 3.23Å; P467-Y572 HydrophobicContact CG-CE1 3.95Å; P467-Y572 HydrophobicContact CG-CE2 3.57Å; P467-Y572 HydrophobicContact CG-CG 3.19Å; P467-Y572 VanDerWaalsContact O-CD1 3.26Å; P467-Y572 WeakPolarHBondContact O-CD1 3.46Å; P467-Y572 WeakPolarHBondContact O-CE1 3.37Å
468	A	76.7	Confident	59.2	Low	15 Å²	15	72.1 Å²	72.1	12%	0.124	38%	0.379	C	S	.	.			trans	-59.5	140.4	154.9	0	0	0	0	0	108.7	A470 L480 I481 K482 N569	A468-A470 VanDerWaalsContact C-N 3.29Å; A468-L480 HydrophobicContact CB-CB 3.99Å; A468-L480 HydrophobicContact CB-CD2 4.29Å; A468-I481 CarbonylContact C-O 3.54Å; A468-K482 HydrophobicContact CB-CG 4.47Å; A468-N569 WeakPolarHBondContact O-CB 3.31Å
469	L	87.8	Confident	61.8	Low	4 Å²	4	63.7 Å²	63.7	2%	0.021	34%	0.34	C	S	.	.	S	Bend	trans	-65.1	-38	177.8	-59	170.1	0	0	0	111	I481 E483 R484 L520 F526 N569 Y572 V573 I576	L469-I481 WeakPolarHBondContact CB-O 3.5Å; L469-I481 PolarHBondContact N-O 2.65Å; L469-E483 VanDerWaalsContact CD1-C 3.45Å; L469-E483 WeakPolarHBondContact CD1-O 3.39Å; L469-R484 HydrophobicContact CD1-CG 4.36Å; L469-L520 HydrophobicContact CD1-CD2 4.01Å; L469-L520 HydrophobicContact CD2-CD2 4.01Å; L469-L520 HydrophobicContact CG-CD2 4.49Å; L469-F526 HydrophobicContact CB-CE1 4.32Å; L469-F526 HydrophobicContact CB-CZ 3.92Å; L469-N569 PolarHBondContact O-N 2.97Å; L469-Y572 HydrophobicContact CD2-CD1 3.73Å; L469-Y572 HydrophobicContact CD2-CE1 3.69Å; L469-Y572 HydrophobicContact CG-CE1 4.49Å; L469-V573 HydrophobicContact CB-CG2 4.42Å; L469-V573 HydrophobicContact CD2-CG2 4.47Å; L469-V573 WeakPolarHBondContact O-CG2 3.2Å; L469-I576 HydrophobicContact CD2-CD1 3.27Å
470	A	90.2	Very high	64.3	Low	4 Å²	4	62 Å²	62	3%	0.033	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	175.1	178.2	0	0	0	0	0	110	A468 I481 F526 F566 D567	A468-A470 VanDerWaalsContact C-N 3.29Å; A470-I481 HydrophobicContact CB-CB 4.29Å; A470-I481 HydrophobicContact CB-CD1 4.14Å; A470-I481 PolarHBondContact N-O 3.15Å; A470-I481 WeakPolarHBondContact O-CA 3.5Å; A470-I481 WeakPolarHBondContact O-CB 3.5Å; A470-I481 PolarHBondContact O-N 2.74Å; A470-F526 HydrophobicContact CB-CE1 4.17Å; A470-F526 HydrophobicContact CB-CE2 4.45Å; A470-F526 HydrophobicContact CB-CZ 3.89Å; A470-F566 HydrophobicContact CB-CD2 4.2Å; A470-F566 HydrophobicContact CB-CE2 3.32Å; A470-F566 HydrophobicContact CB-CZ 3.54Å; A470-D567 CarbonylContact C-O 3.52Å; A470-D567 WeakPolarHBondContact CA-O 3.34Å; A470-D567 WeakPolarHBondContact CB-O 3.11Å
471	S	88.7	Confident	67.3	Low	14 Å²	14	54.1 Å²	54.1	10%	0.098	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	145.5	171.3	69.1	0	0	0	0	111.5	F479 F566 D567	S471-F479 CarbonylContact C-O 3.6Å; S471-F479 VanDerWaalsContact CA-O 3.25Å; S471-F479 WeakPolarHBondContact CA-O 3.36Å; S471-F566 CarbonylContact O-C 3.53Å; S471-F566 WeakPolarHBondContact O-CA 3.38Å; S471-D567 PolarHBondContact N-O 3.07Å; S471-D567 PolarHBondContact O-N 3.48Å
472	L	88.6	Confident	69.9	Low	3 Å²	3	56 Å²	56	2%	0.016	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	110.3	167.3	-70.6	174.2	0	0	0	108.5	Q478 F479 I481 I499 I518 I557 L564 R565 F566	L472-Q478 CarbonylContact O-C 3.54Å; L472-Q478 WeakPolarHBondContact O-CA 3.41Å; L472-F479 HydrophobicContact CB-CB 4.31Å; L472-F479 HydrophobicContact CB-CD2 4.29Å; L472-F479 PolarHBondContact N-O 3.02Å; L472-F479 PolarHBondContact O-N 3.38Å; L472-I481 HydrophobicContact CD1-CD1 4.37Å; L472-I481 HydrophobicContact CG-CD1 4.02Å; L472-I499 HydrophobicContact CD1-CD1 3.77Å; L472-I499 HydrophobicContact CD1-CG2 4.4Å; L472-I518 HydrophobicContact CD1-CD1 3.73Å; L472-I518 HydrophobicContact CD2-CD1 4.24Å; L472-I518 HydrophobicContact CG-CD1 4.3Å; L472-I557 HydrophobicContact CD2-CD1 3.71Å; L472-L564 HydrophobicContact CD1-CD1 4.29Å; L472-R565 CarbonylContact C-O 3.59Å; L472-R565 WeakPolarHBondContact CA-O 3.46Å; L472-F566 HydrophobicContact CD2-CB 3.92Å; L472-F566 HydrophobicContact CD2-CD2 3.69Å; L472-F566 HydrophobicContact CD2-CG 4.28Å; L472-F566 HydrophobicContact CG-CD2 4.38Å
473	T	82.8	Confident	72.5	Confident	23 Å²	23	57.6 Å²	57.6	14%	0.141	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	106.8	179.8	-54.3	0	0	0	0	109.2	R565	T473-R565 PolarHBondContact N-O 2.89Å; T473-R565 PolarHBondContact O-N 2.99Å
474	G	73.6	Confident	75.1	Confident	8 Å²	8	54.3 Å²	54.3	8%	0.082	28%	0.278	C	S	.	.			trans	-85.2	-166.1	172	0	0	0	0	0	113.1	R476 T477 E504	G474-R476 PolarHBondContact O-N 3.16Å; G474-T477 PolarHBondContact N-O 3.42Å; G474-E504 WeakPolarHBondContact CA-OE1 3.04Å
475	S	64.6	Low	78.1	Confident	62 Å²	62	55.5 Å²	55.5	43%	0.434	28%	0.275	S	S	.	.	S	Bend	trans	-69.2	-30.1	174.6	-64.3	0	0	0	0	111.4
476	R	59.2	Low	80.4	Confident	75 Å²	75	53 Å²	53	28%	0.283	25%	0.253	S	S	.	.	S	Bend	trans	-131.7	-15.1	-166	-65.1	158.3	-169.6	-144.3	-3.4	113.6	D195 R198 G474 E504	D195-R476 VanDerWaalsContact CG-NH2 3.32Å; D195-R476 IonicContact OD1-CZ 2.79Å; D195-R476 IonicContact OD1-NH1 3.52Å; D195-R476 PolarHBondContact OD1-NH1 3.08Å; D195-R476 IonicContact OD1-NH2 3.9Å; D195-R476 PolarHBondContact OD1-NH2 3.39Å; D195-R476 IonicContact OD2-NH2 3.12Å; R198-R476 VanDerWaalsContact NH1-CD 3.26Å; G474-R476 PolarHBondContact O-N 3.16Å; R476-E504 WeakPolarHBondContact CD-O 3.46Å; R476-E504 PolarHBondContact N-OE1 3.43Å; R476-E504 PolarHBondContact N-OE2 3.26Å
477	T	69.2	Low	82.5	Confident	22 Å²	22	46.9 Å²	46.9	14%	0.135	23%	0.232	C	C	.	.			trans	-134	156.4	-179.7	69.7	0	0	0	0	111.8	G474 F479 M503 E504	G474-T477 PolarHBondContact N-O 3.42Å; T477-F479 HydrophobicContact CG2-CZ 4.34Å; T477-F479 WeakPolarHBondContact OG1-CE2 3.49Å; T477-F479 WeakPolarHBondContact OG1-CZ 3.45Å; T477-M503 HydrophobicContact CG2-CB 3.99Å; T477-E504 WeakPolarHBondContact CA-OE1 3.45Å; T477-E504 VanDerWaalsContact CB-OE1 3.3Å; T477-E504 WeakPolarHBondContact CB-OE1 3.48Å; T477-E504 HydrophobicContact CG2-CG 4.43Å; T477-E504 PolarHBondContact N-OE1 3.2Å; T477-E504 PolarHBondContact OG1-OE1 3.21Å
478	Q	79.1	Confident	83.8	Confident	124 Å²	124	45.6 Å²	45.6	58%	0.579	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-127.8	117	169.9	-175.5	-178.1	29	0	0	108	L472	L472-Q478 CarbonylContact O-C 3.54Å; L472-Q478 WeakPolarHBondContact O-CA 3.41Å
479	F	86.1	Confident	84.5	Confident	22 Å²	22	44.9 Å²	44.9	10%	0.096	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	122.9	177.1	-54	-80.4	0	0	0	109.7	S471 L472 T477 I499 D500 L501 M503	S471-F479 CarbonylContact C-O 3.6Å; S471-F479 VanDerWaalsContact CA-O 3.25Å; S471-F479 WeakPolarHBondContact CA-O 3.36Å; L472-F479 HydrophobicContact CB-CB 4.31Å; L472-F479 HydrophobicContact CB-CD2 4.29Å; L472-F479 PolarHBondContact N-O 3.02Å; L472-F479 PolarHBondContact O-N 3.38Å; T477-F479 HydrophobicContact CG2-CZ 4.34Å; T477-F479 WeakPolarHBondContact OG1-CE2 3.49Å; T477-F479 WeakPolarHBondContact OG1-CZ 3.45Å; F479-I499 HydrophobicContact CB-CD1 4.49Å; F479-I499 HydrophobicContact CB-CG1 4.42Å; F479-I499 HydrophobicContact CB-CG2 4.01Å; F479-I499 HydrophobicContact CD1-CG2 3.86Å; F479-I499 HydrophobicContact CD2-CG2 3.73Å; F479-I499 HydrophobicContact CE1-CG2 4.2Å; F479-I499 HydrophobicContact CE2-CG2 4.06Å; F479-I499 HydrophobicContact CG-CG2 3.61Å; F479-I499 HydrophobicContact CZ-CG2 4.29Å; F479-D500 VanDerWaalsContact CZ-O 3.28Å; F479-D500 WeakPolarHBondContact CZ-O 3.35Å; F479-L501 HydrophobicContact CE2-CD2 4.16Å; F479-M503 HydrophobicContact CE1-CB 4.49Å; F479-M503 HydrophobicContact CE1-SD 4.21Å; F479-M503 HydrophobicContact CZ-CB 4.28Å
480	L	86	Confident	84.7	Confident	87 Å²	87	48.2 Å²	48.2	46%	0.455	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	122.4	175.9	-61.8	179.3	0	0	0	110.1	A468 K482	A468-L480 HydrophobicContact CB-CB 3.99Å; A468-L480 HydrophobicContact CB-CD2 4.29Å; L480-K482 PolarHBondContact O-N 2.91Å
481	I	88.8	Confident	84.5	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	101.7	177.4	-62.2	171.6	0	0	0	108.1	A468 L469 A470 L472 V486 I499 I518 F566	A468-I481 CarbonylContact C-O 3.54Å; L469-I481 WeakPolarHBondContact CB-O 3.5Å; L469-I481 PolarHBondContact N-O 2.65Å; A470-I481 HydrophobicContact CB-CB 4.29Å; A470-I481 HydrophobicContact CB-CD1 4.14Å; A470-I481 PolarHBondContact N-O 3.15Å; A470-I481 WeakPolarHBondContact O-CA 3.5Å; A470-I481 WeakPolarHBondContact O-CB 3.5Å; A470-I481 PolarHBondContact O-N 2.74Å; L472-I481 HydrophobicContact CD1-CD1 4.37Å; L472-I481 HydrophobicContact CG-CD1 4.02Å; I481-V486 HydrophobicContact CD1-CG2 4.41Å; I481-V486 HydrophobicContact CG1-CG2 4.26Å; I481-V486 HydrophobicContact CG2-CG1 3.99Å; I481-V486 HydrophobicContact CG2-CG2 3.97Å; I481-I499 HydrophobicContact CD1-CD1 4.39Å; I481-I499 HydrophobicContact CG1-CD1 3.98Å; I481-I518 HydrophobicContact CD1-CD1 4.09Å; I481-I518 HydrophobicContact CD1-CG2 4.43Å; I481-F566 HydrophobicContact CD1-CD2 4.22Å; I481-F566 HydrophobicContact CD1-CE2 3.75Å
482	K	86	Confident	84.3	Confident	152 Å²	152	52.1 Å²	52.1	66%	0.661	25%	0.251	S	S	*	.			trans	-94.6	-25.1	-180	-61.4	-177.4	179.8	-177.8	0	113	A468 L480	A468-K482 HydrophobicContact CB-CG 4.47Å; L480-K482 PolarHBondContact O-N 2.91Å
483	E	88.1	Confident	84	Confident	106 Å²	106	61.4 Å²	61.4	50%	0.495	29%	0.291	S	S	.	.	S	Bend	trans	-102.7	150.5	-175	-62.8	179.2	-158	0	0	112.1	L469 K485 V486 H498	L469-E483 VanDerWaalsContact CD1-C 3.45Å; L469-E483 WeakPolarHBondContact CD1-O 3.39Å; E483-K485 PolarHBondContact O-N 3.26Å; E483-K485 VanDerWaalsContact O-N 3.16Å; E483-V486 HydrophobicContact CB-CG1 3.95Å; E483-H498 IonicContact OE2-CD2 3.79Å; E483-H498 IonicContact OE2-NE2 3.06Å
484	R	90.2	Very high	84.1	Confident	67 Å²	67	64.8 Å²	64.8	25%	0.253	31%	0.312	S	S	.	.	S	Bend	trans	-63.4	-18.8	176.2	-71.6	179.7	163.6	-80.8	5.5	113.4	L469 R519 L520 Y580	L469-R484 HydrophobicContact CD1-CG 4.36Å; R484-R519 CarbonylContact O-C 3.5Å; R484-R519 VanDerWaalsContact O-CA 3.27Å; R484-R519 WeakPolarHBondContact O-CA 3.47Å; R484-L520 HydrophobicContact CB-CB 4.43Å; R484-L520 HydrophobicContact CG-CD2 4.47Å; R484-L520 PolarHBondContact O-N 2.88Å; R484-Y580 PolarHBondContact NE-OH 3.12Å; R484-Y580 VanDerWaalsContact NH2-CZ 3.28Å
485	K	93.2	Very high	84.6	Confident	111 Å²	111	65.3 Å²	65.3	48%	0.483	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	118.2	178.3	169.5	167.9	170.5	153.3	0	107.8	E483 Q517 I518	E483-K485 PolarHBondContact O-N 3.26Å; E483-K485 VanDerWaalsContact O-N 3.16Å; K485-Q517 HydrophobicContact CD-CG 4.48Å; K485-Q517 HydrophobicContact CG-CG 4Å; K485-Q517 VanDerWaalsContact CG-NE2 3.33Å; K485-I518 WeakPolarHBondContact CA-O 3.46Å
486	V	94.1	Very high	85.6	Confident	6 Å²	6	70.1 Å²	70.1	4%	0.036	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	142.6	177.5	-65.8	0	0	0	0	109.9	I481 E483 H498 I499 Q517 I518	I481-V486 HydrophobicContact CD1-CG2 4.41Å; I481-V486 HydrophobicContact CG1-CG2 4.26Å; I481-V486 HydrophobicContact CG2-CG1 3.99Å; I481-V486 HydrophobicContact CG2-CG2 3.97Å; E483-V486 HydrophobicContact CB-CG1 3.95Å; V486-H498 HydrophobicContact CB-CB 4.17Å; V486-H498 HydrophobicContact CG1-CB 4.38Å; V486-I499 HydrophobicContact CB-CD1 4.25Å; V486-I499 HydrophobicContact CG2-CD1 3.83Å; V486-Q517 CarbonylContact O-C 3.48Å; V486-Q517 VanDerWaalsContact O-CA 3.29Å; V486-Q517 WeakPolarHBondContact O-CA 3.32Å; V486-Q517 WeakPolarHBondContact O-CG 3.18Å; V486-I518 HydrophobicContact CG2-CB 3.76Å; V486-I518 HydrophobicContact CG2-CG2 4.47Å; V486-I518 PolarHBondContact N-O 2.87Å; V486-I518 PolarHBondContact O-N 3.35Å
487	I	94.1	Very high	87	Confident	48 Å²	48	67.3 Å²	67.3	25%	0.246	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	133.8	176.5	-60.5	173.3	0	0	0	107.5	P497 H498 I499 C514 G516	I487-P497 HydrophobicContact CG2-CB 4.23Å; I487-P497 WeakPolarHBondContact O-CB 3.33Å; I487-H498 PolarHBondContact N-ND1 3.23Å; I487-H498 PolarHBondContact O-N 3Å; I487-I499 PolarHBondContact O-N 2.65Å; I487-C514 HydrophobicContact CG2-CB 4.45Å; I487-G516 WeakPolarHBondContact CA-O 3.34Å
488	F	93.4	Very high	87.9	Confident	4 Å²	4	71.3 Å²	71.3	2%	0.018	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	146.6	175.4	63.8	-94.1	0	0	0	111.1	I499 L501 H515 G516 Q517 I518 L528 I559	F488-I499 VanDerWaalsContact CA-O 3.29Å; F488-I499 WeakPolarHBondContact CA-O 3.44Å; F488-I499 HydrophobicContact CB-CB 3.82Å; F488-I499 HydrophobicContact CB-CG2 4.09Å; F488-L501 HydrophobicContact CB-CD1 4.46Å; F488-L501 HydrophobicContact CB-CG 4.43Å; F488-L501 HydrophobicContact CD2-CD1 3.75Å; F488-H515 HydrophobicContact CD2-CB 3.92Å; F488-H515 HydrophobicContact CE2-CB 3.94Å; F488-H515 AromaticContact CE2-CD2 3.85Å; F488-H515 WeakPolarHBondContact O-CA 3.36Å; F488-H515 WeakPolarHBondContact O-CB 3.49Å; F488-H515 PolarHBondContact O-N 3.3Å; F488-G516 VanDerWaalsContact CD1-C 3.5Å; F488-G516 WeakPolarHBondContact CD1-O 3.36Å; F488-G516 VanDerWaalsContact CZ-CA 3.44Å; F488-G516 PolarHBondContact N-O 3.39Å; F488-G516 PolarHBondContact O-N 3.25Å; F488-G516 VanDerWaalsContact O-N 3.13Å; F488-Q517 VanDerWaalsContact CE1-N 3.29Å; F488-I518 HydrophobicContact CD1-CD1 4.33Å; F488-I518 HydrophobicContact CD1-CG1 4.03Å; F488-I518 HydrophobicContact CE1-CD1 4.47Å; F488-I518 HydrophobicContact CE1-CG1 3.92Å; F488-L528 HydrophobicContact CE1-CD1 4.08Å; F488-L528 HydrophobicContact CE1-CG 4.12Å; F488-L528 HydrophobicContact CZ-CD1 4.01Å; F488-L528 HydrophobicContact CZ-CD2 4.4Å; F488-L528 HydrophobicContact CZ-CG 4.12Å; F488-I559 HydrophobicContact CD2-CD1 4Å; F488-I559 HydrophobicContact CE2-CD1 3.61Å; F488-I559 HydrophobicContact CZ-CD1 4.48Å
489	G	91.7	Very high	88.5	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.5	-166.1	179.3	0	0	0	0	0	112.2	P497 I499 D500 L501 S512	G489-P497 WeakPolarHBondContact O-CG 3.46Å; G489-I499 PolarHBondContact N-O 3.24Å; G489-I499 VanDerWaalsContact N-O 3.09Å; G489-D500 WeakPolarHBondContact O-CA 3.22Å; G489-L501 PolarHBondContact O-N 2.88Å; G489-S512 WeakPolarHBondContact CA-O 3.41Å
490	R	90.9	Very high	88.5	Confident	73 Å²	73	66 Å²	66	28%	0.275	31%	0.314	S	S	.	.			trans	-87	127	174.1	171.1	175.9	68.8	158	2.3	111.3	S492 S508 I511 S512 R513	R490-S492 PolarHBondContact O-N 3.21Å; R490-S508 VanDerWaalsContact CD-O 3.24Å; R490-S508 WeakPolarHBondContact CD-O 3.47Å; R490-S508 WeakPolarHBondContact CD-OG 2.91Å; R490-I511 HydrophobicContact CB-CB 4.26Å; R490-I511 HydrophobicContact CB-CG2 4.18Å; R490-I511 WeakPolarHBondContact CB-O 3.21Å; R490-S512 PolarHBondContact N-O 2.84Å; R490-R513 PolarHBondContact N-O 3.06Å; R490-R513 WeakPolarHBondContact O-CA 3.25Å; R490-R513 VanDerWaalsContact O-O 3.14Å
491	N	86.5	Confident	88.6	Confident	78 Å²	78	61.9 Å²	61.9	42%	0.417	29%	0.293	S	S	.	.			trans	-58.4	135.4	170.7	-174.2	41.2	0	0	0	112.4	D500	N491-D500 HydrophobicContact CB-CB 4.33Å; N491-D500 WeakPolarHBondContact CB-OD1 3.24Å; N491-D500 WeakPolarHBondContact CB-OD2 3.17Å; N491-D500 PolarHBondContact N-OD1 3.37Å
492	S	84.4	Confident	88.2	Confident	22 Å²	22	63.5 Å²	63.5	15%	0.154	31%	0.305	C	S	.	.			trans	-152	167.3	179.3	64.5	0	0	0	0	110.2	R490 V494 C495 R513	R490-S492 PolarHBondContact O-N 3.21Å; S492-V494 PolarHBondContact O-N 2.97Å; S492-V494 PolarHBondContact OG-N 3.15Å; S492-C495 PolarHBondContact N-O 3.48Å; S492-C495 CarbonylContact O-C 3.59Å; S492-C495 PolarHBondContact O-N 2.98Å; S492-C495 VanDerWaalsContact O-O 3.12Å; S492-C495 PolarHBondContact OG-N 3.35Å; S492-C495 VanDerWaalsContact OG-N 3.07Å; S492-C495 PolarHBondContact OG-O 3.15Å; S492-R513 VanDerWaalsContact OG-CD 3.31Å; S492-R513 WeakPolarHBondContact OG-CD 3.39Å
493	F	82.3	Confident	87.6	Confident	198 Å²	198	61.4 Å²	61.4	87%	0.868	30%	0.298	S	S	*	.	S	Bend	trans	-60	-18.4	174.7	70.3	-87.3	0	0	0	114.1
494	V	85.1	Confident	86.9	Confident	95 Å²	95	56.5 Å²	56.5	58%	0.576	28%	0.275	S	S	*	.	S	Bend	trans	-100.1	-36.5	-178.2	-171.4	0	0	0	0	112.7	S492	S492-V494 PolarHBondContact O-N 2.97Å; S492-V494 PolarHBondContact OG-N 3.15Å
495	C	83.1	Confident	85.3	Confident	18 Å²	18	53.5 Å²	53.5	12%	0.122	27%	0.265	C	S	.	.			trans	-131.9	118.4	-174.1	-170.7	0	0	0	0	108	S492 P497 R513 C514	S492-C495 PolarHBondContact N-O 3.48Å; S492-C495 CarbonylContact O-C 3.59Å; S492-C495 PolarHBondContact O-N 2.98Å; S492-C495 VanDerWaalsContact O-O 3.12Å; S492-C495 PolarHBondContact OG-N 3.35Å; S492-C495 VanDerWaalsContact OG-N 3.07Å; S492-C495 PolarHBondContact OG-O 3.15Å; C495-P497 VanDerWaalsContact O-CD 3.31Å; C495-P497 WeakPolarHBondContact O-CD 3.2Å; C495-R513 HydrophobicContact CB-CB 4.08Å; C495-R513 PolarHBondContact SG-O 3.02Å; C495-C514 WeakPolarHBondContact CB-SG 3.4Å; C495-C514 WeakPolarHBondContact SG-CB 3.32Å; C495-C514 CovalentContact SG-SG 2.07Å; C495-C514 PolarHBondContact SG-SG 3.5Å
496	Q	85.9	Confident	83.8	Confident	163 Å²	163	49.1 Å²	49.1	76%	0.762	25%	0.247	S	C	*	.			trans	-105.3	91.3	171.2	-68.2	-177.1	-21.8	0	0	107.3
497	P	88.8	Confident	82.3	Confident	16 Å²	16	54.4 Å²	54.4	10%	0.104	28%	0.275	C	S	.	.			trans	-66.9	152.4	177.5	29.5	-33.8	0	0	0	110.2	I487 G489 C495 I499	I487-P497 HydrophobicContact CG2-CB 4.23Å; I487-P497 WeakPolarHBondContact O-CB 3.33Å; G489-P497 WeakPolarHBondContact O-CG 3.46Å; C495-P497 VanDerWaalsContact O-CD 3.31Å; C495-P497 WeakPolarHBondContact O-CD 3.2Å; P497-I499 PolarHBondContact O-N 3.47Å
498	H	89.1	Confident	81.1	Confident	106 Å²	106	54 Å²	54	49%	0.491	28%	0.277	S	S	.	.	S	Bend	trans	-64.7	-31.2	174	-57.6	83.8	0	0	0	111.1	E483 V486 I487	E483-H498 IonicContact OE2-CD2 3.79Å; E483-H498 IonicContact OE2-NE2 3.06Å; V486-H498 HydrophobicContact CB-CB 4.17Å; V486-H498 HydrophobicContact CG1-CB 4.38Å; I487-H498 PolarHBondContact N-ND1 3.23Å; I487-H498 PolarHBondContact O-N 3Å
499	I	90	Very high	80	Confident	4 Å²	4	56.7 Å²	56.7	2%	0.021	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	105.2	176.7	-59.4	178.8	0	0	0	108.1	L472 F479 I481 V486 I487 F488 G489 P497 L501	L472-I499 HydrophobicContact CD1-CD1 3.77Å; L472-I499 HydrophobicContact CD1-CG2 4.4Å; F479-I499 HydrophobicContact CB-CD1 4.49Å; F479-I499 HydrophobicContact CB-CG1 4.42Å; F479-I499 HydrophobicContact CB-CG2 4.01Å; F479-I499 HydrophobicContact CD1-CG2 3.86Å; F479-I499 HydrophobicContact CD2-CG2 3.73Å; F479-I499 HydrophobicContact CE1-CG2 4.2Å; F479-I499 HydrophobicContact CE2-CG2 4.06Å; F479-I499 HydrophobicContact CG-CG2 3.61Å; F479-I499 HydrophobicContact CZ-CG2 4.29Å; I481-I499 HydrophobicContact CD1-CD1 4.39Å; I481-I499 HydrophobicContact CG1-CD1 3.98Å; V486-I499 HydrophobicContact CB-CD1 4.25Å; V486-I499 HydrophobicContact CG2-CD1 3.83Å; I487-I499 PolarHBondContact O-N 2.65Å; F488-I499 VanDerWaalsContact CA-O 3.29Å; F488-I499 WeakPolarHBondContact CA-O 3.44Å; F488-I499 HydrophobicContact CB-CB 3.82Å; F488-I499 HydrophobicContact CB-CG2 4.09Å; G489-I499 PolarHBondContact N-O 3.24Å; G489-I499 VanDerWaalsContact N-O 3.09Å; P497-I499 PolarHBondContact O-N 3.47Å; I499-L501 HydrophobicContact CG2-CD2 3.98Å; I499-L501 PolarHBondContact O-N 3.37Å
500	D	87.5	Confident	79.5	Confident	30 Å²	30	63 Å²	63	16%	0.16	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	99.5	179.5	-176.1	14.3	0	0	0	111.4	F479 G489 N491 S502 M503	F479-D500 VanDerWaalsContact CZ-O 3.28Å; F479-D500 WeakPolarHBondContact CZ-O 3.35Å; G489-D500 WeakPolarHBondContact O-CA 3.22Å; N491-D500 HydrophobicContact CB-CB 4.33Å; N491-D500 WeakPolarHBondContact CB-OD1 3.24Å; N491-D500 WeakPolarHBondContact CB-OD2 3.17Å; N491-D500 PolarHBondContact N-OD1 3.37Å; D500-S502 PolarHBondContact O-N 2.81Å; D500-S502 WeakPolarHBondContact OD1-CB 3.34Å; D500-S502 PolarHBondContact OD1-N 2.81Å; D500-S502 PolarHBondContact OD1-OG 3.3Å; D500-S502 PolarHBondContact OD2-OG 2.9Å; D500-M503 HydrophobicContact CB-CG 4.37Å; D500-M503 WeakPolarHBondContact O-CB 3.44Å; D500-M503 PolarHBondContact O-N 3.11Å
501	L	86.5	Confident	79.3	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.005	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-69.7	-11.8	177.5	-62.1	-175.4	0	0	0	113	F479 F488 G489 I499 M503 E504 I511 I559 I562 L564	F479-L501 HydrophobicContact CE2-CD2 4.16Å; F488-L501 HydrophobicContact CB-CD1 4.46Å; F488-L501 HydrophobicContact CB-CG 4.43Å; F488-L501 HydrophobicContact CD2-CD1 3.75Å; G489-L501 PolarHBondContact O-N 2.88Å; I499-L501 HydrophobicContact CG2-CD2 3.98Å; I499-L501 PolarHBondContact O-N 3.37Å; L501-M503 PolarHBondContact O-N 3.43Å; L501-E504 PolarHBondContact O-N 3.19Å; L501-I511 HydrophobicContact CB-CD1 4.19Å; L501-I511 HydrophobicContact CB-CG2 4.18Å; L501-I511 HydrophobicContact CD1-CG2 4.23Å; L501-I559 HydrophobicContact CD1-CD1 3.64Å; L501-I562 HydrophobicContact CB-CD1 4.22Å; L501-L564 HydrophobicContact CD2-CD1 3.8Å
502	S	80.9	Confident	79.5	Confident	36 Å²	36	57.2 Å²	57.2	25%	0.252	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-63	-22.2	173.2	82.1	0	0	0	0	112.3	D500 E504 G505	D500-S502 PolarHBondContact O-N 2.81Å; D500-S502 WeakPolarHBondContact OD1-CB 3.34Å; D500-S502 PolarHBondContact OD1-N 2.81Å; D500-S502 PolarHBondContact OD1-OG 3.3Å; D500-S502 PolarHBondContact OD2-OG 2.9Å; S502-E504 VanDerWaalsContact C-N 3.28Å; S502-E504 PolarHBondContact O-N 2.96Å; S502-G505 PolarHBondContact O-N 3.1Å
503	M	74.4	Confident	79.7	Confident	107 Å²	107	61.6 Å²	61.6	53%	0.527	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-67.9	-22.1	176.9	-64.5	-174	53	0	0	114.1	R198 T477 F479 D500 L501 G505	R198-M503 PolarHBondContact NH1-O 3.4Å; R198-M503 VanDerWaalsContact NH1-O 3.1Å; R198-M503 PolarHBondContact NH2-O 3.47Å; R198-M503 VanDerWaalsContact NH2-O 3.15Å; T477-M503 HydrophobicContact CG2-CB 3.99Å; F479-M503 HydrophobicContact CE1-CB 4.49Å; F479-M503 HydrophobicContact CE1-SD 4.21Å; F479-M503 HydrophobicContact CZ-CB 4.28Å; D500-M503 HydrophobicContact CB-CG 4.37Å; D500-M503 WeakPolarHBondContact O-CB 3.44Å; D500-M503 PolarHBondContact O-N 3.11Å; L501-M503 PolarHBondContact O-N 3.43Å; M503-G505 PolarHBondContact O-N 3.04Å; M503-G505 VanDerWaalsContact O-N 3.15Å
504	E	72.4	Confident	80.1	Confident	3 Å²	3	55 Å²	55	1%	0.014	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-66.5	-13.1	174.6	-82	-71	146.4	0	0	112.7	R198 G474 R476 T477 L501 S502 I562 L564	R198-E504 PolarHBondContact NH1-O 3.47Å; G474-E504 WeakPolarHBondContact CA-OE1 3.04Å; R476-E504 WeakPolarHBondContact CD-O 3.46Å; R476-E504 PolarHBondContact N-OE1 3.43Å; R476-E504 PolarHBondContact N-OE2 3.26Å; T477-E504 WeakPolarHBondContact CA-OE1 3.45Å; T477-E504 VanDerWaalsContact CB-OE1 3.3Å; T477-E504 WeakPolarHBondContact CB-OE1 3.48Å; T477-E504 HydrophobicContact CG2-CG 4.43Å; T477-E504 PolarHBondContact N-OE1 3.2Å; T477-E504 PolarHBondContact OG1-OE1 3.21Å; L501-E504 PolarHBondContact O-N 3.19Å; S502-E504 VanDerWaalsContact C-N 3.28Å; S502-E504 PolarHBondContact O-N 2.96Å; E504-I562 HydrophobicContact CB-CD1 3.73Å; E504-I562 HydrophobicContact CB-CG1 3.99Å; E504-I562 HydrophobicContact CB-CG2 4.15Å; E504-I562 HydrophobicContact CG-CD1 4.33Å; E504-I562 HydrophobicContact CG-CG2 3.78Å; E504-L564 HydrophobicContact CG-CD2 4.27Å
505	G	58.1	Low	80.4	Confident	4 Å²	4	50.5 Å²	50.5	4%	0.041	27%	0.269	C	S	.	.			trans	88.4	3.8	166.1	0	0	0	0	0	116.6	L194 S502 M503	L194-G505 WeakPolarHBondContact CD2-O 3.38Å; S502-G505 PolarHBondContact O-N 3.1Å; M503-G505 PolarHBondContact O-N 3.04Å; M503-G505 VanDerWaalsContact O-N 3.15Å
506	I	60.9	Low	81	Confident	20 Å²	20	49.6 Å²	49.6	10%	0.103	26%	0.263	C	S	.	.	S	Bend	trans	-85	151.3	175.8	-70.6	149.4	0	0	0	108.7	S508 H561 I562	I506-S508 WeakPolarHBondContact O-CA 3.44Å; I506-S508 PolarHBondContact O-N 3.46Å; I506-H561 HydrophobicContact CD1-CB 4.03Å; I506-H561 WeakPolarHBondContact CD1-O 3.29Å; I506-H561 HydrophobicContact CG2-CB 4.12Å; I506-I562 HydrophobicContact CD1-CB 4.47Å; I506-I562 HydrophobicContact CD1-CG1 3.52Å
507	D	63.5	Low	81.4	Confident	117 Å²	117	42.7 Å²	42.7	63%	0.626	23%	0.231	S	C	*	.			trans	-39.2	97.9	172.6	-77	-28.3	0	0	0	111	G509 R510	D507-G509 PolarHBondContact O-N 2.84Å; D507-R510 PolarHBondContact O-N 2.88Å
508	S	67.5	Low	81.8	Confident	40 Å²	40	42.1 Å²	42.1	28%	0.28	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-65.7	-12.5	-165.8	72.6	0	0	0	0	112.2	R490 I506 R510 I511	R490-S508 VanDerWaalsContact CD-O 3.24Å; R490-S508 WeakPolarHBondContact CD-O 3.47Å; R490-S508 WeakPolarHBondContact CD-OG 2.91Å; I506-S508 WeakPolarHBondContact O-CA 3.44Å; I506-S508 PolarHBondContact O-N 3.46Å; S508-R510 PolarHBondContact O-N 2.83Å; S508-R510 VanDerWaalsContact O-N 3.16Å; S508-I511 PolarHBondContact O-N 3.47Å
509	G	71.6	Confident	82.1	Confident	59 Å²	59	40.5 Å²	40.5	61%	0.608	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-57	-26.4	179.4	0	0	0	0	0	115.2	D507	D507-G509 PolarHBondContact O-N 2.84Å
510	R	80.9	Confident	82.3	Confident	133 Å²	133	41 Å²	41	50%	0.502	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-85.2	-13.8	177.8	-65.1	177.5	178.9	-112.9	-0.2	113.6	D507 S508 H534 D560	D507-R510 PolarHBondContact O-N 2.88Å; S508-R510 PolarHBondContact O-N 2.83Å; S508-R510 VanDerWaalsContact O-N 3.16Å; R510-H534 PolarHBondContact O-CD2 3.13Å; R510-D560 HydrophobicContact CB-CB 4.48Å; R510-D560 WeakPolarHBondContact CB-OD2 3.18Å; R510-D560 WeakPolarHBondContact CD-OD2 3.3Å; R510-D560 IonicContact NH1-OD1 3.89Å
511	I	86.7	Confident	82.5	Confident	2 Å²	2	40.7 Å²	40.7	1%	0.01	22%	0.22	C	C	.	.	S	Bend	trans	-95.4	118.1	-180	-54	164.9	0	0	0	108.4	R490 L501 S508 H515 I562	R490-I511 HydrophobicContact CB-CB 4.26Å; R490-I511 HydrophobicContact CB-CG2 4.18Å; R490-I511 WeakPolarHBondContact CB-O 3.21Å; L501-I511 HydrophobicContact CB-CD1 4.19Å; L501-I511 HydrophobicContact CB-CG2 4.18Å; L501-I511 HydrophobicContact CD1-CG2 4.23Å; S508-I511 PolarHBondContact O-N 3.47Å; I511-H515 HydrophobicContact CG2-CB 4.48Å; I511-I562 HydrophobicContact CD1-CD1 3.31Å; I511-I562 HydrophobicContact CD1-CG1 4.48Å; I511-I562 HydrophobicContact CG1-CD1 4.3Å
512	S	89.5	Confident	82.4	Confident	27 Å²	27	48.7 Å²	48.7	19%	0.189	25%	0.254	C	S	.	.			trans	-56.8	144.1	172.5	-71.5	0	0	0	0	112.6	G489 R490 C514 H515 S532	G489-S512 WeakPolarHBondContact CA-O 3.41Å; R490-S512 PolarHBondContact N-O 2.84Å; S512-C514 VanDerWaalsContact C-N 3.32Å; S512-C514 PolarHBondContact O-N 2.79Å; S512-H515 PolarHBondContact N-ND1 2.81Å; S512-S532 WeakPolarHBondContact OG-CB 3.28Å
513	R	89.2	Confident	82.7	Confident	114 Å²	114	52.8 Å²	52.8	43%	0.43	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-43.2	-178.4	-70.6	174.4	-76.1	-178.2	-2.4	112.6	R490 S492 C495	R490-R513 PolarHBondContact N-O 3.06Å; R490-R513 WeakPolarHBondContact O-CA 3.25Å; R490-R513 VanDerWaalsContact O-O 3.14Å; S492-R513 VanDerWaalsContact OG-CD 3.31Å; S492-R513 WeakPolarHBondContact OG-CD 3.39Å; C495-R513 HydrophobicContact CB-CB 4.08Å; C495-R513 PolarHBondContact SG-O 3.02Å
514	C	89.5	Confident	83.3	Confident	60 Å²	60	48.5 Å²	48.5	41%	0.405	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.5	91.3	167.8	-35.8	0	0	0	0	106.4	I487 C495 S512	I487-C514 HydrophobicContact CG2-CB 4.45Å; C495-C514 WeakPolarHBondContact CB-SG 3.4Å; C495-C514 WeakPolarHBondContact SG-CB 3.32Å; C495-C514 CovalentContact SG-SG 2.07Å; C495-C514 PolarHBondContact SG-SG 3.5Å; S512-C514 VanDerWaalsContact C-N 3.32Å; S512-C514 PolarHBondContact O-N 2.79Å
515	H	92.7	Very high	84.3	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.27	C	S	.	.			trans	-81.4	-40.1	-168.5	-159.2	110.1	0	0	0	111.9	F488 I511 S512 N530 F531 S532 V536 I559	F488-H515 HydrophobicContact CD2-CB 3.92Å; F488-H515 HydrophobicContact CE2-CB 3.94Å; F488-H515 AromaticContact CE2-CD2 3.85Å; F488-H515 WeakPolarHBondContact O-CA 3.36Å; F488-H515 WeakPolarHBondContact O-CB 3.49Å; F488-H515 PolarHBondContact O-N 3.3Å; I511-H515 HydrophobicContact CG2-CB 4.48Å; S512-H515 PolarHBondContact N-ND1 2.81Å; H515-N530 PolarHBondContact O-OD1 3.08Å; H515-F531 PolarHBondContact O-N 3.29Å; H515-S532 PolarHBondContact CD2-OG 2.94Å; H515-S532 PolarHBondContact CE1-OG 2.79Å; H515-S532 PolarHBondContact NE2-OG 2.78Å; H515-S532 VanDerWaalsContact NE2-OG 3.11Å; H515-S532 PolarHBondContact O-N 3.35Å; H515-S532 VanDerWaalsContact O-N 3.09Å; H515-V536 WeakPolarHBondContact NE2-CG2 3.1Å; H515-I559 WeakPolarHBondContact CE1-CG2 3.35Å; H515-I559 WeakPolarHBondContact NE2-CG2 3.17Å
516	G	94.4	Very high	86.1	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173	-172.1	177.5	0	0	0	0	0	112.5	I487 F488 A529	I487-G516 WeakPolarHBondContact CA-O 3.34Å; F488-G516 VanDerWaalsContact CD1-C 3.5Å; F488-G516 WeakPolarHBondContact CD1-O 3.36Å; F488-G516 VanDerWaalsContact CZ-CA 3.44Å; F488-G516 PolarHBondContact N-O 3.39Å; F488-G516 PolarHBondContact O-N 3.25Å; F488-G516 VanDerWaalsContact O-N 3.13Å; G516-A529 CarbonylContact C-O 3.51Å; G516-A529 WeakPolarHBondContact CA-O 3.41Å
517	Q	95.8	Very high	87.8	Confident	18 Å²	18	53.3 Å²	53.3	8%	0.084	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	137.7	-176.6	-177.8	-164.4	-44.3	0	0	110.5	K485 V486 F488 L528 A529 F531	K485-Q517 HydrophobicContact CD-CG 4.48Å; K485-Q517 HydrophobicContact CG-CG 4Å; K485-Q517 VanDerWaalsContact CG-NE2 3.33Å; V486-Q517 CarbonylContact O-C 3.48Å; V486-Q517 VanDerWaalsContact O-CA 3.29Å; V486-Q517 WeakPolarHBondContact O-CA 3.32Å; V486-Q517 WeakPolarHBondContact O-CG 3.18Å; F488-Q517 VanDerWaalsContact CE1-N 3.29Å; Q517-L528 WeakPolarHBondContact O-CA 3.49Å; Q517-A529 PolarHBondContact N-O 3.05Å; Q517-A529 PolarHBondContact O-N 3.26Å; Q517-F531 HydrophobicContact CB-CD2 4.41Å; Q517-F531 HydrophobicContact CB-CE2 3.47Å; Q517-F531 VanDerWaalsContact CB-CE2 3.47Å; Q517-F531 HydrophobicContact CB-CZ 3.7Å; Q517-F531 HydrophobicContact CG-CE2 4.5Å
518	I	96.2	Very high	89.4	Confident	3 Å²	3	47.8 Å²	47.8	2%	0.015	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	129.4	167	-61.2	171.8	0	0	0	108	L472 I481 K485 V486 F488 F526 W527 L528 L551	L472-I518 HydrophobicContact CD1-CD1 3.73Å; L472-I518 HydrophobicContact CD2-CD1 4.24Å; L472-I518 HydrophobicContact CG-CD1 4.3Å; I481-I518 HydrophobicContact CD1-CD1 4.09Å; I481-I518 HydrophobicContact CD1-CG2 4.43Å; K485-I518 WeakPolarHBondContact CA-O 3.46Å; V486-I518 HydrophobicContact CG2-CB 3.76Å; V486-I518 HydrophobicContact CG2-CG2 4.47Å; V486-I518 PolarHBondContact N-O 2.87Å; V486-I518 PolarHBondContact O-N 3.35Å; F488-I518 HydrophobicContact CD1-CD1 4.33Å; F488-I518 HydrophobicContact CD1-CG1 4.03Å; F488-I518 HydrophobicContact CE1-CD1 4.47Å; F488-I518 HydrophobicContact CE1-CG1 3.92Å; I518-F526 HydrophobicContact CG2-CD1 4.02Å; I518-W527 CarbonylContact C-O 3.56Å; I518-W527 VanDerWaalsContact CA-O 3.32Å; I518-W527 WeakPolarHBondContact CA-O 3.41Å; I518-L528 HydrophobicContact CG1-CD1 4.3Å; I518-L528 HydrophobicContact CG1-CG 4.48Å; I518-L551 HydrophobicContact CD1-CD1 4.13Å; I518-L551 HydrophobicContact CG1-CD1 4.1Å; I518-L551 HydrophobicContact CG2-CD1 4.13Å
519	R	95.3	Very high	90.7	Very high	73 Å²	73	46.5 Å²	46.5	28%	0.275	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	139.9	178.8	65.4	-178.5	-176.3	84.5	-3.9	111.9	R484 F526 W527 E548	R484-R519 CarbonylContact O-C 3.5Å; R484-R519 VanDerWaalsContact O-CA 3.27Å; R484-R519 WeakPolarHBondContact O-CA 3.47Å; R519-F526 CarbonylContact O-C 3.55Å; R519-F526 WeakPolarHBondContact O-CA 3.16Å; R519-W527 HydrophobicContact CG-CB 3.73Å; R519-W527 PolarHBondContact N-O 3.33Å; R519-W527 PolarHBondContact O-N 3.36Å; R519-E548 IonicContact CZ-OE2 3.75Å; R519-E548 IonicContact NE-OE2 2.72Å; R519-E548 PolarHBondContact NE-OE2 2.81Å; R519-E548 IonicContact NH2-OE1 3.5Å; R519-E548 PolarHBondContact NH2-OE1 2.98Å; R519-E548 IonicContact NH2-OE2 3.82Å; R519-E548 PolarHBondContact NH2-OE2 2.82Å
520	L	93.8	Very high	91.9	Very high	13 Å²	13	43.7 Å²	43.7	7%	0.068	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	117.1	171.3	179.5	58.8	0	0	0	109.6	L469 R484 G524 F526 V573	L469-L520 HydrophobicContact CD1-CD2 4.01Å; L469-L520 HydrophobicContact CD2-CD2 4.01Å; L469-L520 HydrophobicContact CG-CD2 4.49Å; R484-L520 HydrophobicContact CB-CB 4.43Å; R484-L520 HydrophobicContact CG-CD2 4.47Å; R484-L520 PolarHBondContact O-N 2.88Å; L520-G524 WeakPolarHBondContact CD1-O 3.46Å; L520-F526 HydrophobicContact CB-CD1 4.11Å; L520-F526 HydrophobicContact CB-CE1 3.91Å; L520-F526 HydrophobicContact CB-CZ 4.45Å; L520-F526 HydrophobicContact CD1-CD1 4.18Å; L520-F526 HydrophobicContact CD1-CD2 3.95Å; L520-F526 HydrophobicContact CD1-CE1 4.03Å; L520-F526 HydrophobicContact CD1-CE2 3.77Å; L520-F526 HydrophobicContact CD1-CG 4.16Å; L520-F526 HydrophobicContact CD1-CZ 3.83Å; L520-F526 HydrophobicContact CD2-CE1 4.49Å; L520-F526 HydrophobicContact CD2-CZ 4.28Å; L520-F526 HydrophobicContact CG-CE1 4.36Å; L520-F526 HydrophobicContact CG-CZ 4.41Å; L520-V573 HydrophobicContact CD1-CG1 4.09Å; L520-V573 HydrophobicContact CD2-CG1 4.46Å
521	S	91.7	Very high	92.5	Very high	25 Å²	25	41.6 Å²	41.6	18%	0.175	20%	0.204	C	C	.	.			trans	-66.5	167.2	172.7	-165.9	0	0	0	0	111.4	D523 G524 I525	S521-D523 PolarHBondContact O-N 3.2Å; S521-D523 PolarHBondContact OG-OD2 2.88Å; S521-G524 PolarHBondContact O-N 3.37Å; S521-I525 WeakPolarHBondContact CB-O 3.32Å; S521-I525 PolarHBondContact N-O 3.04Å
522	K	85.9	Confident	92.7	Very high	168 Å²	168	41.6 Å²	41.6	73%	0.73	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-26.6	172	-65.1	-177.5	-179	-179.8	0	112.1	G524	K522-G524 PolarHBondContact O-N 3.08Å
523	D	86.3	Confident	92.7	Very high	122 Å²	122	44.9 Å²	44.9	65%	0.652	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	3.3	-178.3	-38.5	-60.3	0	0	0	113.3	S521 I525	S521-D523 PolarHBondContact O-N 3.2Å; S521-D523 PolarHBondContact OG-OD2 2.88Å; D523-I525 VanDerWaalsContact C-N 3.33Å; D523-I525 HydrophobicContact CB-CD1 4.43Å; D523-I525 HydrophobicContact CB-CG1 4.45Å
524	G	87.8	Confident	92.7	Very high	18 Å²	18	43.2 Å²	43.2	19%	0.186	22%	0.224	C	C	.	.	S	Bend	trans	84.7	2.3	-177.8	0	0	0	0	0	115.1	L520 S521 K522 C577	L520-G524 WeakPolarHBondContact CD1-O 3.46Å; S521-G524 PolarHBondContact O-N 3.37Å; K522-G524 PolarHBondContact O-N 3.08Å; G524-C577 WeakPolarHBondContact CA-SG 3.4Å
525	I	92.4	Very high	92.8	Very high	57 Å²	57	42.4 Å²	42.4	29%	0.292	22%	0.218	S	C	.	.			trans	-89.9	132	-178	-57.2	174.2	0	0	0	110.7	S521 D523 W527 E550	S521-I525 WeakPolarHBondContact CB-O 3.32Å; S521-I525 PolarHBondContact N-O 3.04Å; D523-I525 VanDerWaalsContact C-N 3.33Å; D523-I525 HydrophobicContact CB-CD1 4.43Å; D523-I525 HydrophobicContact CB-CG1 4.45Å; I525-W527 HydrophobicContact CG2-CZ2 4.5Å; I525-E550 HydrophobicContact CG2-CG 3.61Å
526	F	95.8	Very high	92.9	Very high	6 Å²	6	42.4 Å²	42.4	3%	0.026	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	140.3	172.3	-71.4	-90.9	0	0	0	111.7	L469 A470 I518 R519 L520 E550 L551 F566 V568 V573	L469-F526 HydrophobicContact CB-CE1 4.32Å; L469-F526 HydrophobicContact CB-CZ 3.92Å; A470-F526 HydrophobicContact CB-CE1 4.17Å; A470-F526 HydrophobicContact CB-CE2 4.45Å; A470-F526 HydrophobicContact CB-CZ 3.89Å; I518-F526 HydrophobicContact CG2-CD1 4.02Å; R519-F526 CarbonylContact O-C 3.55Å; R519-F526 WeakPolarHBondContact O-CA 3.16Å; L520-F526 HydrophobicContact CB-CD1 4.11Å; L520-F526 HydrophobicContact CB-CE1 3.91Å; L520-F526 HydrophobicContact CB-CZ 4.45Å; L520-F526 HydrophobicContact CD1-CD1 4.18Å; L520-F526 HydrophobicContact CD1-CD2 3.95Å; L520-F526 HydrophobicContact CD1-CE1 4.03Å; L520-F526 HydrophobicContact CD1-CE2 3.77Å; L520-F526 HydrophobicContact CD1-CG 4.16Å; L520-F526 HydrophobicContact CD1-CZ 3.83Å; L520-F526 HydrophobicContact CD2-CE1 4.49Å; L520-F526 HydrophobicContact CD2-CZ 4.28Å; L520-F526 HydrophobicContact CG-CE1 4.36Å; L520-F526 HydrophobicContact CG-CZ 4.41Å; F526-E550 WeakPolarHBondContact O-CA 3.41Å; F526-L551 HydrophobicContact CB-CB 4Å; F526-L551 PolarHBondContact O-N 3.02Å; F526-F566 HydrophobicContact CB-CE1 4.05Å; F526-F566 HydrophobicContact CB-CZ 3.84Å; F526-F566 HydrophobicContact CD1-CE2 4.42Å; F526-F566 AromaticContact CD1-CZ 3.72Å; F526-F566 HydrophobicContact CD1-CZ 3.72Å; F526-F566 HydrophobicContact CD2-CE1 4.08Å; F526-F566 AromaticContact CD2-CZ 3.74Å; F526-F566 HydrophobicContact CD2-CZ 3.74Å; F526-F566 HydrophobicContact CE1-CZ 4.12Å; F526-F566 HydrophobicContact CE2-CZ 4.14Å; F526-F566 HydrophobicContact CG-CE1 4.04Å; F526-F566 AromaticContact CG-CZ 3.5Å; F526-F566 HydrophobicContact CG-CZ 3.5Å; F526-F566 VanDerWaalsContact CG-CZ 3.5Å; F526-F566 HydrophobicContact CZ-CZ 4.3Å; F526-V568 HydrophobicContact CD2-CG1 4.43Å; F526-V568 HydrophobicContact CD2-CG2 4.06Å; F526-V568 HydrophobicContact CE2-CG1 3.75Å; F526-V568 HydrophobicContact CE2-CG2 4.02Å; F526-V573 HydrophobicContact CE2-CG2 3.95Å; F526-V573 HydrophobicContact CZ-CG2 4.02Å
527	W	96.4	Very high	92.8	Very high	64 Å²	64	46.9 Å²	46.9	24%	0.242	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	136.5	176.3	-65.3	80.9	0	0	0	109.9	I518 R519 I525 E548 V549 E550	I518-W527 CarbonylContact C-O 3.56Å; I518-W527 VanDerWaalsContact CA-O 3.32Å; I518-W527 WeakPolarHBondContact CA-O 3.41Å; R519-W527 HydrophobicContact CG-CB 3.73Å; R519-W527 PolarHBondContact N-O 3.33Å; R519-W527 PolarHBondContact O-N 3.36Å; I525-W527 HydrophobicContact CG2-CZ2 4.5Å; W527-E548 HydrophobicContact CE3-CB 4.49Å; W527-E548 HydrophobicContact CE3-CG 4.21Å; W527-V549 CarbonylContact C-O 3.47Å; W527-V549 VanDerWaalsContact CA-O 3.3Å; W527-V549 WeakPolarHBondContact CA-O 3.37Å; W527-E550 HydrophobicContact CH2-CB 4.4Å; W527-E550 HydrophobicContact CZ3-CB 4.33Å
528	L	97.1	Very high	92.7	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	125.4	170.1	-177.8	148.8	0	0	0	109.1	F488 Q517 I518 V536 V538 E548 V549 L551 I557	F488-L528 HydrophobicContact CE1-CD1 4.08Å; F488-L528 HydrophobicContact CE1-CG 4.12Å; F488-L528 HydrophobicContact CZ-CD1 4.01Å; F488-L528 HydrophobicContact CZ-CD2 4.4Å; F488-L528 HydrophobicContact CZ-CG 4.12Å; Q517-L528 WeakPolarHBondContact O-CA 3.49Å; I518-L528 HydrophobicContact CG1-CD1 4.3Å; I518-L528 HydrophobicContact CG1-CG 4.48Å; L528-V536 HydrophobicContact CD2-CG1 4.1Å; L528-V538 HydrophobicContact CD2-CG2 4.46Å; L528-E548 CarbonylContact O-C 3.55Å; L528-E548 WeakPolarHBondContact O-CA 3.49Å; L528-V549 HydrophobicContact CB-CG1 4.15Å; L528-V549 HydrophobicContact CD2-CG1 4.42Å; L528-V549 PolarHBondContact N-O 2.76Å; L528-V549 PolarHBondContact O-N 3.46Å; L528-L551 HydrophobicContact CB-CD1 3.74Å; L528-L551 HydrophobicContact CB-CD2 3.9Å; L528-L551 HydrophobicContact CB-CG 3.65Å; L528-L551 HydrophobicContact CD1-CD1 4.15Å; L528-L551 HydrophobicContact CD1-CD2 4.16Å; L528-I557 HydrophobicContact CD1-CD1 3.87Å; L528-I557 HydrophobicContact CD1-CG1 4.39Å; L528-I557 HydrophobicContact CD1-CG2 4.14Å
529	A	96.3	Very high	92.5	Very high	13 Å²	13	48 Å²	48	11%	0.107	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	132.1	172.2	0	0	0	0	0	109.9	G516 Q517 F531 E547 E548	G516-A529 CarbonylContact C-O 3.51Å; G516-A529 WeakPolarHBondContact CA-O 3.41Å; Q517-A529 PolarHBondContact N-O 3.05Å; Q517-A529 PolarHBondContact O-N 3.26Å; A529-F531 HydrophobicContact CB-CD1 4.38Å; A529-F531 HydrophobicContact CB-CE1 3.62Å; A529-F531 HydrophobicContact CB-CZ 3.98Å; A529-E547 WeakPolarHBondContact CA-O 3.49Å; A529-E548 HydrophobicContact CB-CB 4.22Å
530	N	96.1	Very high	92	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	119.1	175.6	-180	15.9	0	0	0	110	H515 S532 H534 V536 I543 L544 D546 E547	H515-N530 PolarHBondContact O-OD1 3.08Å; N530-S532 WeakPolarHBondContact OD1-CB 3.47Å; N530-S532 PolarHBondContact OD1-N 2.99Å; N530-S532 PolarHBondContact OD1-OG 3.37Å; N530-H534 PolarHBondContact ND2-O 3.09Å; N530-V536 HydrophobicContact CB-CG2 4.14Å; N530-I543 HydrophobicContact CB-CG2 4.06Å; N530-I543 PolarHBondContact ND2-O 3.42Å; N530-L544 WeakPolarHBondContact CB-O 3.27Å; N530-L544 PolarHBondContact ND2-O 2.89Å; N530-D546 WeakPolarHBondContact O-CA 3.38Å; N530-D546 PolarHBondContact O-N 3.1Å; N530-E547 PolarHBondContact N-O 3.23Å
531	F	93.6	Very high	91.9	Very high	90 Å²	90	50.1 Å²	50.1	40%	0.395	27%	0.268	S	S	.	.			trans	-105.1	-1.5	176.8	-56.5	-31.1	0	0	0	112.6	H515 Q517 A529	H515-F531 PolarHBondContact O-N 3.29Å; Q517-F531 HydrophobicContact CB-CD2 4.41Å; Q517-F531 HydrophobicContact CB-CE2 3.47Å; Q517-F531 VanDerWaalsContact CB-CE2 3.47Å; Q517-F531 HydrophobicContact CB-CZ 3.7Å; Q517-F531 HydrophobicContact CG-CE2 4.5Å; A529-F531 HydrophobicContact CB-CD1 4.38Å; A529-F531 HydrophobicContact CB-CE1 3.62Å; A529-F531 HydrophobicContact CB-CZ 3.98Å
532	S	91.2	Very high	91.9	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.014	28%	0.282	C	S	.	.	S	Bend	trans	-90.5	156	-175.9	86	0	0	0	0	111.2	S512 H515 N530 H534 T545	S512-S532 WeakPolarHBondContact OG-CB 3.28Å; H515-S532 PolarHBondContact CD2-OG 2.94Å; H515-S532 PolarHBondContact CE1-OG 2.79Å; H515-S532 PolarHBondContact NE2-OG 2.78Å; H515-S532 VanDerWaalsContact NE2-OG 3.11Å; H515-S532 PolarHBondContact O-N 3.35Å; H515-S532 VanDerWaalsContact O-N 3.09Å; N530-S532 WeakPolarHBondContact OD1-CB 3.47Å; N530-S532 PolarHBondContact OD1-N 2.99Å; N530-S532 PolarHBondContact OD1-OG 3.37Å; S532-H534 PolarHBondContact O-N 2.91Å; S532-H534 PolarHBondContact OG-N 2.77Å; S532-H534 PolarHBondContact OG-O 2.9Å; S532-T545 WeakPolarHBondContact O-CB 3.29Å; S532-T545 WeakPolarHBondContact O-CG2 3.46Å; S532-T545 PolarHBondContact O-OG1 3.2Å
533	S	89.6	Confident	92.3	Very high	95 Å²	95	45 Å²	45	66%	0.664	25%	0.25	S	S	*	.	S	Bend	trans	-67.6	-8.5	166.3	53.6	0	0	0	0	113.5
534	H	89.5	Confident	92.6	Very high	79 Å²	79	43.6 Å²	43.6	37%	0.366	24%	0.242	S	C	.	.	S	Bend	trans	-96.4	142.5	-179.4	-63	-70.2	0	0	0	109.6	R510 N530 S532	R510-H534 PolarHBondContact O-CD2 3.13Å; N530-H534 PolarHBondContact ND2-O 3.09Å; S532-H534 PolarHBondContact O-N 2.91Å; S532-H534 PolarHBondContact OG-N 2.77Å; S532-H534 PolarHBondContact OG-O 2.9Å
535	T	91.7	Very high	92.9	Very high	44 Å²	44	45.8 Å²	45.8	27%	0.27	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-72.4	131.4	177.4	-54.7	0	0	0	0	110.1	Y537 P542 L544	T535-Y537 HydrophobicContact CG2-CD2 4.24Å; T535-Y537 HydrophobicContact CG2-CE1 4.34Å; T535-Y537 HydrophobicContact CG2-CE2 3.83Å; T535-P542 HydrophobicContact CG2-CB 3.49Å; T535-P542 VanDerWaalsContact CG2-CB 3.49Å; T535-L544 HydrophobicContact CG2-CD2 4.41Å
536	V	93.6	Very high	92.9	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	133.6	167.7	178.3	0	0	0	0	107.5	H515 L528 N530 V538 I543 I557 I559	H515-V536 WeakPolarHBondContact NE2-CG2 3.1Å; L528-V536 HydrophobicContact CD2-CG1 4.1Å; N530-V536 HydrophobicContact CB-CG2 4.14Å; V536-V538 HydrophobicContact CG1-CG2 4.28Å; V536-I543 HydrophobicContact CB-CB 4.48Å; V536-I543 PolarHBondContact N-O 2.72Å; V536-I543 WeakPolarHBondContact O-CA 3.38Å; V536-I543 WeakPolarHBondContact O-CB 3.45Å; V536-I543 PolarHBondContact O-N 3.41Å; V536-I557 HydrophobicContact CG1-CG2 3.83Å; V536-I559 HydrophobicContact CG1-CG1 3.93Å; V536-I559 HydrophobicContact CG2-CG1 4.16Å
537	Y	93.2	Very high	92.8	Very high	94 Å²	94	53.4 Å²	53.4	37%	0.369	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	130.6	175.2	-62.4	-101.5	0	0	0	109.2	T535 N541 P542 I557 L558	T535-Y537 HydrophobicContact CG2-CD2 4.24Å; T535-Y537 HydrophobicContact CG2-CE1 4.34Å; T535-Y537 HydrophobicContact CG2-CE2 3.83Å; Y537-N541 CarbonylContact C-O 3.54Å; Y537-N541 VanDerWaalsContact CA-O 3.28Å; Y537-N541 WeakPolarHBondContact CA-O 3.4Å; Y537-P542 HydrophobicContact CD1-CB 4Å; Y537-P542 HydrophobicContact CE1-CB 3.77Å; Y537-I557 CarbonylContact O-C 3.55Å; Y537-I557 WeakPolarHBondContact O-CA 3.29Å; Y537-L558 HydrophobicContact CD2-CD2 4.22Å; Y537-L558 HydrophobicContact CG-CD2 4.41Å; Y537-L558 PolarHBondContact N-O 3.35Å; Y537-L558 PolarHBondContact O-N 2.86Å
538	V	94	Very high	92.7	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.024	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	116.6	174.9	179.7	0	0	0	0	108.1	L528 V536 G540 N541 I543 V549 L551 A555 T556 I557	L528-V538 HydrophobicContact CD2-CG2 4.46Å; V536-V538 HydrophobicContact CG1-CG2 4.28Å; V538-G540 PolarHBondContact O-N 3.24Å; V538-N541 PolarHBondContact N-O 2.86Å; V538-N541 WeakPolarHBondContact O-CB 3.32Å; V538-N541 PolarHBondContact O-N 3.36Å; V538-N541 PolarHBondContact O-ND2 2.95Å; V538-I543 HydrophobicContact CB-CG1 4.39Å; V538-I543 HydrophobicContact CG2-CG1 4.02Å; V538-V549 HydrophobicContact CB-CG1 4.2Å; V538-V549 HydrophobicContact CG1-CG1 4.38Å; V538-V549 HydrophobicContact CG2-CG1 3.85Å; V538-L551 HydrophobicContact CG1-CD2 3.72Å; V538-L551 HydrophobicContact CG2-CD2 4.22Å; V538-A555 HydrophobicContact CG1-CB 4.38Å; V538-T556 CarbonylContact C-O 3.59Å; V538-T556 WeakPolarHBondContact CA-O 3.5Å; V538-I557 HydrophobicContact CG2-CG1 4.4Å
539	D	90.5	Very high	92.7	Very high	39 Å²	39	57 Å²	57	21%	0.209	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	47.9	-173.7	-61.6	-40.8	0	0	0	111.6	V96 N541 A555 T556	V96-D539 HydrophobicContact CG1-CB 4.21Å; D539-N541 PolarHBondContact O-N 2.84Å; D539-N541 VanDerWaalsContact O-N 3.16Å; D539-N541 PolarHBondContact O-ND2 2.95Å; D539-A555 WeakPolarHBondContact OD1-CA 3.42Å; D539-T556 PolarHBondContact N-O 3.26Å; D539-T556 PolarHBondContact OD1-N 3.09Å
540	G	86.1	Confident	92.7	Very high	38 Å²	38	60.6 Å²	60.6	39%	0.392	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.4	-6.7	-177.3	0	0	0	0	0	115.7	A95 V538	A95-G540 PolarHBondContact O-N 2.96Å; A95-G540 VanDerWaalsContact O-N 3.15Å; V538-G540 PolarHBondContact O-N 3.24Å
541	N	90.5	Very high	92.6	Very high	94 Å²	94	60.9 Å²	60.9	50%	0.503	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	126.2	-179.8	-59.6	-70	0	0	0	111.2	Y537 V538 D539	Y537-N541 CarbonylContact C-O 3.54Å; Y537-N541 VanDerWaalsContact CA-O 3.28Å; Y537-N541 WeakPolarHBondContact CA-O 3.4Å; V538-N541 PolarHBondContact N-O 2.86Å; V538-N541 WeakPolarHBondContact O-CB 3.32Å; V538-N541 PolarHBondContact O-N 3.36Å; V538-N541 PolarHBondContact O-ND2 2.95Å; D539-N541 PolarHBondContact O-N 2.84Å; D539-N541 VanDerWaalsContact O-N 3.16Å; D539-N541 PolarHBondContact O-ND2 2.95Å
542	P	92.1	Very high	92.5	Very high	73 Å²	73	62.8 Å²	62.8	47%	0.474	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	131.6	178.3	29.1	-33.5	0	0	0	111.4	T535 Y537	T535-P542 HydrophobicContact CG2-CB 3.49Å; T535-P542 VanDerWaalsContact CG2-CB 3.49Å; Y537-P542 HydrophobicContact CD1-CB 4Å; Y537-P542 HydrophobicContact CE1-CB 3.77Å
543	I	93.8	Very high	92.5	Very high	13 Å²	13	64.8 Å²	64.8	7%	0.067	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	113.2	174.6	-48.1	-53.5	0	0	0	107.6	N530 V536 V538 E547 V549	N530-I543 HydrophobicContact CB-CG2 4.06Å; N530-I543 PolarHBondContact ND2-O 3.42Å; V536-I543 HydrophobicContact CB-CB 4.48Å; V536-I543 PolarHBondContact N-O 2.72Å; V536-I543 WeakPolarHBondContact O-CA 3.38Å; V536-I543 WeakPolarHBondContact O-CB 3.45Å; V536-I543 PolarHBondContact O-N 3.41Å; V538-I543 HydrophobicContact CB-CG1 4.39Å; V538-I543 HydrophobicContact CG2-CG1 4.02Å; I543-E547 HydrophobicContact CG2-CB 3.81Å; I543-V549 HydrophobicContact CD1-CB 3.67Å; I543-V549 HydrophobicContact CD1-CG1 3.8Å; I543-V549 HydrophobicContact CD1-CG2 3.95Å; I543-V549 HydrophobicContact CG1-CB 4.24Å; I543-V549 HydrophobicContact CG1-CG1 3.83Å
544	L	93.8	Very high	92.4	Very high	92 Å²	92	64 Å²	64	48%	0.482	33%	0.332	S	S	.	.			trans	-79.2	172.3	-177.7	-56.2	179.9	0	0	0	111.3	N530 T535 D546 E547	N530-L544 WeakPolarHBondContact CB-O 3.27Å; N530-L544 PolarHBondContact ND2-O 2.89Å; T535-L544 HydrophobicContact CG2-CD2 4.41Å; L544-D546 PolarHBondContact O-N 2.87Å; L544-E547 HydrophobicContact CB-CG 4.17Å; L544-E547 WeakPolarHBondContact CB-OE2 3.36Å; L544-E547 PolarHBondContact N-OE2 2.85Å; L544-E547 WeakPolarHBondContact O-CB 3.48Å; L544-E547 PolarHBondContact O-N 3.39Å
545	T	93.5	Very high	92.5	Very high	63 Å²	63	60.2 Å²	60.2	39%	0.387	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	135	174.2	-48.2	0	0	0	0	110.4	S532 E547	S532-T545 WeakPolarHBondContact O-CB 3.29Å; S532-T545 WeakPolarHBondContact O-CG2 3.46Å; S532-T545 PolarHBondContact O-OG1 3.2Å; T545-E547 PolarHBondContact O-N 3.16Å
546	D	92.1	Very high	92.5	Very high	135 Å²	135	58.4 Å²	58.4	72%	0.722	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	11	-179.4	-55.2	-41.1	0	0	0	115.3	N530 L544	N530-D546 WeakPolarHBondContact O-CA 3.38Å; N530-D546 PolarHBondContact O-N 3.1Å; L544-D546 PolarHBondContact O-N 2.87Å
547	E	94.8	Very high	92.5	Very high	89 Å²	89	58.5 Å²	58.5	42%	0.416	30%	0.304	S	S	.	.			trans	-89.8	151.1	168.9	-64.2	-174.2	154.2	0	0	111.3	A529 N530 I543 L544 T545	A529-E547 WeakPolarHBondContact CA-O 3.49Å; N530-E547 PolarHBondContact N-O 3.23Å; I543-E547 HydrophobicContact CG2-CB 3.81Å; L544-E547 HydrophobicContact CB-CG 4.17Å; L544-E547 WeakPolarHBondContact CB-OE2 3.36Å; L544-E547 PolarHBondContact N-OE2 2.85Å; L544-E547 WeakPolarHBondContact O-CB 3.48Å; L544-E547 PolarHBondContact O-N 3.39Å; T545-E547 PolarHBondContact O-N 3.16Å
548	E	94.5	Very high	92.4	Very high	104 Å²	104	56.3 Å²	56.3	49%	0.486	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	147.9	173	64.4	176.9	-175.8	0	0	111.8	R519 W527 L528 A529	R519-E548 IonicContact CZ-OE2 3.75Å; R519-E548 IonicContact NE-OE2 2.72Å; R519-E548 PolarHBondContact NE-OE2 2.81Å; R519-E548 IonicContact NH2-OE1 3.5Å; R519-E548 PolarHBondContact NH2-OE1 2.98Å; R519-E548 IonicContact NH2-OE2 3.82Å; R519-E548 PolarHBondContact NH2-OE2 2.82Å; W527-E548 HydrophobicContact CE3-CB 4.49Å; W527-E548 HydrophobicContact CE3-CG 4.21Å; L528-E548 CarbonylContact O-C 3.55Å; L528-E548 WeakPolarHBondContact O-CA 3.49Å; A529-E548 HydrophobicContact CB-CB 4.22Å
549	V	96.2	Very high	92.2	Very high	35 Å²	35	56.3 Å²	56.3	21%	0.212	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	146.6	-180	68	0	0	0	0	110.8	W527 L528 V538 I543 L551	W527-V549 CarbonylContact C-O 3.47Å; W527-V549 VanDerWaalsContact CA-O 3.3Å; W527-V549 WeakPolarHBondContact CA-O 3.37Å; L528-V549 HydrophobicContact CB-CG1 4.15Å; L528-V549 HydrophobicContact CD2-CG1 4.42Å; L528-V549 PolarHBondContact N-O 2.76Å; L528-V549 PolarHBondContact O-N 3.46Å; V538-V549 HydrophobicContact CB-CG1 4.2Å; V538-V549 HydrophobicContact CG1-CG1 4.38Å; V538-V549 HydrophobicContact CG2-CG1 3.85Å; I543-V549 HydrophobicContact CD1-CB 3.67Å; I543-V549 HydrophobicContact CD1-CG1 3.8Å; I543-V549 HydrophobicContact CD1-CG2 3.95Å; I543-V549 HydrophobicContact CG1-CB 4.24Å; I543-V549 HydrophobicContact CG1-CG1 3.83Å; V549-L551 PolarHBondContact O-N 2.8Å
550	E	95.8	Very high	92	Very high	89 Å²	89	56.7 Å²	56.7	42%	0.416	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	124.9	169.6	179.2	-179.6	161.7	0	0	110.1	I525 F526 W527	I525-E550 HydrophobicContact CG2-CG 3.61Å; F526-E550 WeakPolarHBondContact O-CA 3.41Å; W527-E550 HydrophobicContact CH2-CB 4.4Å; W527-E550 HydrophobicContact CZ3-CB 4.33Å
551	L	94.7	Very high	91.6	Very high	6 Å²	6	57.1 Å²	57.1	3%	0.031	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	115.2	171.4	-72.9	-177.5	0	0	0	109.8	I518 F526 L528 V538 V549 A555 I557 F566	I518-L551 HydrophobicContact CD1-CD1 4.13Å; I518-L551 HydrophobicContact CG1-CD1 4.1Å; I518-L551 HydrophobicContact CG2-CD1 4.13Å; F526-L551 HydrophobicContact CB-CB 4Å; F526-L551 PolarHBondContact O-N 3.02Å; L528-L551 HydrophobicContact CB-CD1 3.74Å; L528-L551 HydrophobicContact CB-CD2 3.9Å; L528-L551 HydrophobicContact CB-CG 3.65Å; L528-L551 HydrophobicContact CD1-CD1 4.15Å; L528-L551 HydrophobicContact CD1-CD2 4.16Å; V538-L551 HydrophobicContact CG1-CD2 3.72Å; V538-L551 HydrophobicContact CG2-CD2 4.22Å; V549-L551 PolarHBondContact O-N 2.8Å; L551-A555 HydrophobicContact CD2-CB 4.38Å; L551-I557 HydrophobicContact CD1-CD1 4.13Å; L551-I557 HydrophobicContact CD2-CD1 3.92Å; L551-I557 HydrophobicContact CD2-CG1 4.11Å; L551-F566 HydrophobicContact CB-CD1 3.98Å; L551-F566 HydrophobicContact CB-CE1 3.86Å; L551-F566 HydrophobicContact CD1-CD1 4.31Å; L551-F566 HydrophobicContact CD1-CD2 4.32Å; L551-F566 HydrophobicContact CD1-CE1 4.34Å; L551-F566 HydrophobicContact CD1-CE2 4.34Å; L551-F566 HydrophobicContact CD1-CG 4.29Å; L551-F566 HydrophobicContact CD1-CZ 4.37Å
552	K	92.1	Very high	91.3	Very high	130 Å²	130	52.8 Å²	52.8	57%	0.565	27%	0.269	S	S	*	.			trans	-82.7	159.7	172.2	-65.1	-179.5	-179	177.6	0	110.8	A555 F566	K552-A555 WeakPolarHBondContact O-CB 3.31Å; K552-A555 PolarHBondContact O-N 3.15Å; K552-A555 VanDerWaalsContact O-N 3.11Å; K552-F566 WeakPolarHBondContact O-CD1 3.4Å
553	D	89.8	Confident	91	Very high	44 Å²	44	49.6 Å²	49.6	24%	0.235	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	141.7	170	-167.6	25.7	0	0	0	110.8	A555 V568 H570	D553-A555 PolarHBondContact O-N 3.45Å; D553-V568 HydrophobicContact CB-CB 4.3Å; D553-V568 HydrophobicContact CB-CG2 4.2Å; D553-V568 PolarHBondContact OD1-N 3.38Å; D553-H570 WeakPolarHBondContact CB-NE2 3.48Å; D553-H570 VanDerWaalsContact CG-NE2 3.28Å; D553-H570 IonicContact OD2-CD2 3.42Å; D553-H570 IonicContact OD2-CE1 3.41Å; D553-H570 IonicContact OD2-NE2 2.79Å; D553-H570 PolarHBondContact OD2-NE2 2.96Å
554	F	87.2	Confident	90.8	Very high	78 Å²	78	49.1 Å²	49.1	34%	0.342	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	8.6	-170.7	-50.5	-69.2	0	0	0	116.4	H97 T556 F566 D567	H97-F554 HydrophobicContact CB-CB 4.33Å; H97-F554 VanDerWaalsContact CB-O 3.28Å; H97-F554 WeakPolarHBondContact CB-O 3.47Å; F554-T556 PolarHBondContact O-N 3.47Å; F554-F566 CarbonylContact C-O 3.56Å; F554-F566 WeakPolarHBondContact CA-O 3.39Å; F554-F566 PolarHBondContact N-O 2.75Å; F554-D567 VanDerWaalsContact CD1-OD1 3.23Å; F554-D567 WeakPolarHBondContact CD1-OD1 3.4Å
555	A	92.2	Very high	90.5	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.008	23%	0.23	C	C	.	.			trans	-54.4	138.5	-179.2	0	0	0	0	0	111.9	V538 D539 L551 K552 D553 F566	V538-A555 HydrophobicContact CG1-CB 4.38Å; D539-A555 WeakPolarHBondContact OD1-CA 3.42Å; L551-A555 HydrophobicContact CD2-CB 4.38Å; K552-A555 WeakPolarHBondContact O-CB 3.31Å; K552-A555 PolarHBondContact O-N 3.15Å; K552-A555 VanDerWaalsContact O-N 3.11Å; D553-A555 PolarHBondContact O-N 3.45Å; A555-F566 HydrophobicContact CB-CB 4.49Å; A555-F566 PolarHBondContact N-O 2.94Å; A555-F566 PolarHBondContact O-N 3.1Å
556	T	91.5	Very high	90.5	Very high	6 Å²	6	43.8 Å²	43.8	4%	0.037	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	120.1	176.8	-55.4	0	0	0	0	110.3	F94 H97 V538 D539 F554 T563 L564	F94-T556 WeakPolarHBondContact O-CG2 3.24Å; H97-T556 PolarHBondContact N-OG1 2.99Å; V538-T556 CarbonylContact C-O 3.59Å; V538-T556 WeakPolarHBondContact CA-O 3.5Å; D539-T556 PolarHBondContact N-O 3.26Å; D539-T556 PolarHBondContact OD1-N 3.09Å; F554-T556 PolarHBondContact O-N 3.47Å; T556-T563 HydrophobicContact CG2-CG2 3.42Å; T556-T563 VanDerWaalsContact CG2-CG2 3.42Å; T556-L564 CarbonylContact C-O 3.54Å; T556-L564 WeakPolarHBondContact CA-O 3.48Å
557	I	93.4	Very high	90.4	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	115.6	-177.7	-55.9	167.6	0	0	0	107.9	L472 L528 V536 Y537 V538 L551 I559 L564 F566	L472-I557 HydrophobicContact CD2-CD1 3.71Å; L528-I557 HydrophobicContact CD1-CD1 3.87Å; L528-I557 HydrophobicContact CD1-CG1 4.39Å; L528-I557 HydrophobicContact CD1-CG2 4.14Å; V536-I557 HydrophobicContact CG1-CG2 3.83Å; Y537-I557 CarbonylContact O-C 3.55Å; Y537-I557 WeakPolarHBondContact O-CA 3.29Å; V538-I557 HydrophobicContact CG2-CG1 4.4Å; L551-I557 HydrophobicContact CD1-CD1 4.13Å; L551-I557 HydrophobicContact CD2-CD1 3.92Å; L551-I557 HydrophobicContact CD2-CG1 4.11Å; I557-I559 HydrophobicContact CG2-CD1 4.14Å; I557-I559 HydrophobicContact CG2-CG1 4.04Å; I557-L564 HydrophobicContact CB-CB 4.41Å; I557-L564 PolarHBondContact N-O 3.37Å; I557-L564 PolarHBondContact O-N 3.01Å; I557-F566 HydrophobicContact CD1-CB 4.15Å
558	L	91.3	Very high	90	Very high	48 Å²	48	35.3 Å²	35.3	25%	0.251	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	118	175.5	172	78.7	0	0	0	109.4	Y537 I562	Y537-L558 HydrophobicContact CD2-CD2 4.22Å; Y537-L558 HydrophobicContact CG-CD2 4.41Å; Y537-L558 PolarHBondContact N-O 3.35Å; Y537-L558 PolarHBondContact O-N 2.86Å; L558-I562 WeakPolarHBondContact CA-O 3.31Å
559	I	90.5	Very high	89.6	Confident	3 Å²	3	32.3 Å²	32.3	2%	0.015	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	104.6	176	-61.1	169.4	0	0	0	107.1	F488 L501 H515 V536 I557 H561 I562	F488-I559 HydrophobicContact CD2-CD1 4Å; F488-I559 HydrophobicContact CE2-CD1 3.61Å; F488-I559 HydrophobicContact CZ-CD1 4.48Å; L501-I559 HydrophobicContact CD1-CD1 3.64Å; H515-I559 WeakPolarHBondContact CE1-CG2 3.35Å; H515-I559 WeakPolarHBondContact NE2-CG2 3.17Å; V536-I559 HydrophobicContact CG1-CG1 3.93Å; V536-I559 HydrophobicContact CG2-CG1 4.16Å; I557-I559 HydrophobicContact CG2-CD1 4.14Å; I557-I559 HydrophobicContact CG2-CG1 4.04Å; I559-H561 PolarHBondContact O-N 3.36Å; I559-I562 PolarHBondContact N-O 2.93Å; I559-I562 PolarHBondContact O-N 3.43Å
560	D	85.1	Confident	89.1	Confident	47 Å²	47	34.8 Å²	34.8	25%	0.251	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	54	-102	-175.7	-175.1	58.2	0	0	0	111.4	R510	R510-D560 HydrophobicContact CB-CB 4.48Å; R510-D560 WeakPolarHBondContact CB-OD2 3.18Å; R510-D560 WeakPolarHBondContact CD-OD2 3.3Å; R510-D560 IonicContact NH1-OD1 3.89Å
561	H	77.7	Confident	88.2	Confident	47 Å²	47	36.7 Å²	36.7	22%	0.218	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-1.3	177.3	-46.1	-56.6	0	0	0	115.3	Q134 I506 I559	Q134-H561 HydrophobicContact CG-CB 4.24Å; Q134-H561 VanDerWaalsContact NE2-CA 3.28Å; Q134-H561 PolarHBondContact NE2-ND1 2.84Å; Q134-H561 PolarHBondContact OE1-CE1 3.11Å; Q134-H561 PolarHBondContact OE1-ND1 2.89Å; I506-H561 HydrophobicContact CD1-CB 4.03Å; I506-H561 WeakPolarHBondContact CD1-O 3.29Å; I506-H561 HydrophobicContact CG2-CB 4.12Å; I559-H561 PolarHBondContact O-N 3.36Å
562	I	84.2	Confident	87.5	Confident	3 Å²	3	39.4 Å²	39.4	2%	0.015	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	121.5	-180	-60.8	172.2	0	0	0	109.5	L501 E504 I506 I511 L558 I559 L564	L501-I562 HydrophobicContact CB-CD1 4.22Å; E504-I562 HydrophobicContact CB-CD1 3.73Å; E504-I562 HydrophobicContact CB-CG1 3.99Å; E504-I562 HydrophobicContact CB-CG2 4.15Å; E504-I562 HydrophobicContact CG-CD1 4.33Å; E504-I562 HydrophobicContact CG-CG2 3.78Å; I506-I562 HydrophobicContact CD1-CB 4.47Å; I506-I562 HydrophobicContact CD1-CG1 3.52Å; I511-I562 HydrophobicContact CD1-CD1 3.31Å; I511-I562 HydrophobicContact CD1-CG1 4.48Å; I511-I562 HydrophobicContact CG1-CD1 4.3Å; L558-I562 WeakPolarHBondContact CA-O 3.31Å; I559-I562 PolarHBondContact N-O 2.93Å; I559-I562 PolarHBondContact O-N 3.43Å; I562-L564 HydrophobicContact CG2-CD1 4.4Å; I562-L564 HydrophobicContact CG2-CD2 3.54Å; I562-L564 HydrophobicContact CG2-CG 3.76Å
563	T	87.3	Confident	87.1	Confident	7 Å²	7	33.3 Å²	33.3	4%	0.043	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	120.5	169.8	-44.4	0	0	0	0	109.8	R93 T556	R93-T563 HydrophobicContact CB-CG2 3.55Å; T556-T563 HydrophobicContact CG2-CG2 3.42Å; T556-T563 VanDerWaalsContact CG2-CG2 3.42Å
564	L	89.7	Confident	86.8	Confident	3 Å²	3	35.5 Å²	35.5	2%	0.016	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	143.2	177.4	-53.3	176.2	0	0	0	109.8	L472 L501 E504 T556 I557 I562	L472-L564 HydrophobicContact CD1-CD1 4.29Å; L501-L564 HydrophobicContact CD2-CD1 3.8Å; E504-L564 HydrophobicContact CG-CD2 4.27Å; T556-L564 CarbonylContact C-O 3.54Å; T556-L564 WeakPolarHBondContact CA-O 3.48Å; I557-L564 HydrophobicContact CB-CB 4.41Å; I557-L564 PolarHBondContact N-O 3.37Å; I557-L564 PolarHBondContact O-N 3.01Å; I562-L564 HydrophobicContact CG2-CD1 4.4Å; I562-L564 HydrophobicContact CG2-CD2 3.54Å; I562-L564 HydrophobicContact CG2-CG 3.76Å
565	R	88	Confident	86.5	Confident	43 Å²	43	39 Å²	39	16%	0.162	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	132.6	167.6	-170.6	-178.3	71.7	-169	2.8	109.5	L472 T473 D567	L472-R565 CarbonylContact C-O 3.59Å; L472-R565 WeakPolarHBondContact CA-O 3.46Å; T473-R565 PolarHBondContact N-O 2.89Å; T473-R565 PolarHBondContact O-N 2.99Å; R565-D567 WeakPolarHBondContact CD-OD1 3.46Å; R565-D567 IonicContact CZ-OD1 3.96Å; R565-D567 IonicContact CZ-OD2 3.91Å; R565-D567 IonicContact NE-OD1 3.33Å; R565-D567 PolarHBondContact NE-OD1 3.25Å; R565-D567 IonicContact NE-OD2 3.18Å; R565-D567 PolarHBondContact NE-OD2 3.27Å; R565-D567 VanDerWaalsContact NE-OD2 3.12Å; R565-D567 IonicContact NH2-OD1 3.93Å; R565-D567 IonicContact NH2-OD2 3.52Å; R565-D567 PolarHBondContact NH2-OD2 3.48Å
566	F	92.5	Very high	86	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	118.2	176.7	178.5	-109.1	0	0	0	110.1	A470 S471 L472 I481 F526 L551 K552 F554 A555 I557 V568	A470-F566 HydrophobicContact CB-CD2 4.2Å; A470-F566 HydrophobicContact CB-CE2 3.32Å; A470-F566 HydrophobicContact CB-CZ 3.54Å; S471-F566 CarbonylContact O-C 3.53Å; S471-F566 WeakPolarHBondContact O-CA 3.38Å; L472-F566 HydrophobicContact CD2-CB 3.92Å; L472-F566 HydrophobicContact CD2-CD2 3.69Å; L472-F566 HydrophobicContact CD2-CG 4.28Å; L472-F566 HydrophobicContact CG-CD2 4.38Å; I481-F566 HydrophobicContact CD1-CD2 4.22Å; I481-F566 HydrophobicContact CD1-CE2 3.75Å; F526-F566 HydrophobicContact CB-CE1 4.05Å; F526-F566 HydrophobicContact CB-CZ 3.84Å; F526-F566 HydrophobicContact CD1-CE2 4.42Å; F526-F566 AromaticContact CD1-CZ 3.72Å; F526-F566 HydrophobicContact CD1-CZ 3.72Å; F526-F566 HydrophobicContact CD2-CE1 4.08Å; F526-F566 AromaticContact CD2-CZ 3.74Å; F526-F566 HydrophobicContact CD2-CZ 3.74Å; F526-F566 HydrophobicContact CE1-CZ 4.12Å; F526-F566 HydrophobicContact CE2-CZ 4.14Å; F526-F566 HydrophobicContact CG-CE1 4.04Å; F526-F566 AromaticContact CG-CZ 3.5Å; F526-F566 HydrophobicContact CG-CZ 3.5Å; F526-F566 VanDerWaalsContact CG-CZ 3.5Å; F526-F566 HydrophobicContact CZ-CZ 4.3Å; L551-F566 HydrophobicContact CB-CD1 3.98Å; L551-F566 HydrophobicContact CB-CE1 3.86Å; L551-F566 HydrophobicContact CD1-CD1 4.31Å; L551-F566 HydrophobicContact CD1-CD2 4.32Å; L551-F566 HydrophobicContact CD1-CE1 4.34Å; L551-F566 HydrophobicContact CD1-CE2 4.34Å; L551-F566 HydrophobicContact CD1-CG 4.29Å; L551-F566 HydrophobicContact CD1-CZ 4.37Å; K552-F566 WeakPolarHBondContact O-CD1 3.4Å; F554-F566 CarbonylContact C-O 3.56Å; F554-F566 WeakPolarHBondContact CA-O 3.39Å; F554-F566 PolarHBondContact N-O 2.75Å; A555-F566 HydrophobicContact CB-CB 4.49Å; A555-F566 PolarHBondContact N-O 2.94Å; A555-F566 PolarHBondContact O-N 3.1Å; I557-F566 HydrophobicContact CD1-CB 4.15Å; F566-V568 HydrophobicContact CD1-CG2 3.94Å; F566-V568 HydrophobicContact CE1-CG2 3.24Å; F566-V568 HydrophobicContact CZ-CG2 3.73Å
567	D	89	Confident	85.5	Confident	24 Å²	24	40.4 Å²	40.4	13%	0.128	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	125.3	-179.4	-58.2	-43.4	0	0	0	109.5	A470 S471 F554 R565	A470-D567 CarbonylContact C-O 3.52Å; A470-D567 WeakPolarHBondContact CA-O 3.34Å; A470-D567 WeakPolarHBondContact CB-O 3.11Å; S471-D567 PolarHBondContact N-O 3.07Å; S471-D567 PolarHBondContact O-N 3.48Å; F554-D567 VanDerWaalsContact CD1-OD1 3.23Å; F554-D567 WeakPolarHBondContact CD1-OD1 3.4Å; R565-D567 WeakPolarHBondContact CD-OD1 3.46Å; R565-D567 IonicContact CZ-OD1 3.96Å; R565-D567 IonicContact CZ-OD2 3.91Å; R565-D567 IonicContact NE-OD1 3.33Å; R565-D567 PolarHBondContact NE-OD1 3.25Å; R565-D567 IonicContact NE-OD2 3.18Å; R565-D567 PolarHBondContact NE-OD2 3.27Å; R565-D567 VanDerWaalsContact NE-OD2 3.12Å; R565-D567 IonicContact NH2-OD1 3.93Å; R565-D567 IonicContact NH2-OD2 3.52Å; R565-D567 PolarHBondContact NH2-OD2 3.48Å
568	V	88	Confident	84.7	Confident	21 Å²	21	43.7 Å²	43.7	13%	0.127	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	135.5	-175.9	179.1	0	0	0	0	111.5	F526 D553 F566 H570 V573	F526-V568 HydrophobicContact CD2-CG1 4.43Å; F526-V568 HydrophobicContact CD2-CG2 4.06Å; F526-V568 HydrophobicContact CE2-CG1 3.75Å; F526-V568 HydrophobicContact CE2-CG2 4.02Å; D553-V568 HydrophobicContact CB-CB 4.3Å; D553-V568 HydrophobicContact CB-CG2 4.2Å; D553-V568 PolarHBondContact OD1-N 3.38Å; F566-V568 HydrophobicContact CD1-CG2 3.94Å; F566-V568 HydrophobicContact CE1-CG2 3.24Å; F566-V568 HydrophobicContact CZ-CG2 3.73Å; V568-H570 PolarHBondContact O-N 3.2Å; V568-V573 HydrophobicContact CG1-CG2 4.13Å
569	N	85.7	Confident	83.6	Confident	42 Å²	42	44.2 Å²	44.2	23%	0.225	22%	0.221	C	C	.	.			trans	-86.1	83.6	167.5	-170.7	-24.1	0	0	0	110	P467 A468 L469 D571 Y572 V573	P467-N569 VanDerWaalsContact CB-ND2 3.31Å; P467-N569 WeakPolarHBondContact CB-ND2 3.08Å; A468-N569 WeakPolarHBondContact O-CB 3.31Å; L469-N569 PolarHBondContact O-N 2.97Å; N569-D571 VanDerWaalsContact C-N 3.3Å; N569-D571 PolarHBondContact O-N 2.91Å; N569-Y572 PolarHBondContact O-N 2.93Å; N569-Y572 PolarHBondContact OD1-N 3.45Å; N569-V573 VanDerWaalsContact O-CG2 3.31Å; N569-V573 WeakPolarHBondContact O-CG2 2.94Å; N569-V573 PolarHBondContact O-N 2.86Å
570	H	84.7	Confident	82.2	Confident	86 Å²	86	49.8 Å²	49.8	40%	0.398	24%	0.243	S	C	.	.	H	α-helix	trans	-57.6	-40.6	-176	-69.3	-69.4	0	0	0	112.9	D553 V568 Y572 V573 N574	D553-H570 WeakPolarHBondContact CB-NE2 3.48Å; D553-H570 VanDerWaalsContact CG-NE2 3.28Å; D553-H570 IonicContact OD2-CD2 3.42Å; D553-H570 IonicContact OD2-CE1 3.41Å; D553-H570 IonicContact OD2-NE2 2.79Å; D553-H570 PolarHBondContact OD2-NE2 2.96Å; V568-H570 PolarHBondContact O-N 3.2Å; H570-Y572 VanDerWaalsContact C-N 3.31Å; H570-Y572 PolarHBondContact O-N 2.07Å; H570-V573 PolarHBondContact O-N 3.39Å; H570-N574 WeakPolarHBondContact O-CB 3.31Å; H570-N574 PolarHBondContact O-N 3.34Å; H570-N574 PolarHBondContact O-ND2 3.23Å; H570-N574 VanDerWaalsContact O-ND2 3.08Å
571	D	77.7	Confident	80.6	Confident	130 Å²	130	51.6 Å²	51.6	70%	0.695	26%	0.259	S	S	*	.	H	α-helix	trans	-58.7	-45.4	-178.7	-64.3	-31	0	0	0	111	N569 W575	N569-D571 VanDerWaalsContact C-N 3.3Å; N569-D571 PolarHBondContact O-N 2.91Å; D571-W575 WeakPolarHBondContact O-CB 3.13Å; D571-W575 PolarHBondContact O-N 2.81Å; D571-W575 VanDerWaalsContact O-N 3.1Å
572	Y	80.5	Confident	79.2	Confident	62 Å²	62	53.5 Å²	53.5	24%	0.243	27%	0.274	C	S	.	.	H	α-helix	trans	-74.5	-42.2	179.2	-172.7	-135.4	0	0	0	113.5	P467 L469 N569 H570 N574 W575 I576	P467-Y572 HydrophobicContact CB-CD1 3.5Å; P467-Y572 VanDerWaalsContact CB-CD1 3.5Å; P467-Y572 HydrophobicContact CB-CD2 4.08Å; P467-Y572 HydrophobicContact CB-CE1 4.09Å; P467-Y572 HydrophobicContact CB-CG 3.49Å; P467-Y572 VanDerWaalsContact CB-CG 3.49Å; P467-Y572 HydrophobicContact CG-CD1 3.57Å; P467-Y572 HydrophobicContact CG-CD2 3.23Å; P467-Y572 HydrophobicContact CG-CE1 3.95Å; P467-Y572 HydrophobicContact CG-CE2 3.57Å; P467-Y572 HydrophobicContact CG-CG 3.19Å; P467-Y572 VanDerWaalsContact O-CD1 3.26Å; P467-Y572 WeakPolarHBondContact O-CD1 3.46Å; P467-Y572 WeakPolarHBondContact O-CE1 3.37Å; L469-Y572 HydrophobicContact CD2-CD1 3.73Å; L469-Y572 HydrophobicContact CD2-CE1 3.69Å; L469-Y572 HydrophobicContact CG-CE1 4.49Å; N569-Y572 PolarHBondContact O-N 2.93Å; N569-Y572 PolarHBondContact OD1-N 3.45Å; H570-Y572 VanDerWaalsContact C-N 3.31Å; H570-Y572 PolarHBondContact O-N 2.07Å; Y572-N574 VanDerWaalsContact C-N 3.3Å; Y572-N574 PolarHBondContact O-N 3.4Å; Y572-W575 HydrophobicContact CD2-CD2 4.47Å; Y572-W575 AromaticContact CD2-CE3 3.58Å; Y572-W575 HydrophobicContact CD2-CE3 3.58Å; Y572-W575 HydrophobicContact CD2-CZ3 4.13Å; Y572-W575 AromaticContact CE2-CE3 3.37Å; Y572-W575 HydrophobicContact CE2-CE3 3.37Å; Y572-W575 AromaticContact CE2-CZ3 3.41Å; Y572-W575 HydrophobicContact CE2-CZ3 3.41Å; Y572-W575 VanDerWaalsContact CE2-CZ3 3.41Å; Y572-W575 PolarHBondContact O-N 2.78Å; Y572-I576 HydrophobicContact CD1-CD1 3.64Å; Y572-I576 HydrophobicContact CD1-CG1 4.47Å; Y572-I576 HydrophobicContact CD2-CD1 4.13Å; Y572-I576 HydrophobicContact CD2-CG1 4.11Å; Y572-I576 HydrophobicContact CE1-CD1 3.25Å; Y572-I576 HydrophobicContact CE1-CG1 4.19Å; Y572-I576 HydrophobicContact CE2-CD1 3.87Å; Y572-I576 HydrophobicContact CE2-CG1 3.9Å; Y572-I576 HydrophobicContact CG-CD1 4.07Å; Y572-I576 HydrophobicContact CG-CG1 4.43Å; Y572-I576 WeakPolarHBondContact O-CG1 3.28Å; Y572-I576 PolarHBondContact O-N 3.16Å
573	V	83.2	Confident	77.3	Confident	3 Å²	3	59.1 Å²	59.1	2%	0.018	30%	0.303	C	S	.	.	H	α-helix	trans	-61.3	-43.5	179.2	172.2	0	0	0	0	110.1	L469 L520 F526 V568 N569 H570 I576 C577	L469-V573 HydrophobicContact CB-CG2 4.42Å; L469-V573 HydrophobicContact CD2-CG2 4.47Å; L469-V573 WeakPolarHBondContact O-CG2 3.2Å; L520-V573 HydrophobicContact CD1-CG1 4.09Å; L520-V573 HydrophobicContact CD2-CG1 4.46Å; F526-V573 HydrophobicContact CE2-CG2 3.95Å; F526-V573 HydrophobicContact CZ-CG2 4.02Å; V568-V573 HydrophobicContact CG1-CG2 4.13Å; N569-V573 VanDerWaalsContact O-CG2 3.31Å; N569-V573 WeakPolarHBondContact O-CG2 2.94Å; N569-V573 PolarHBondContact O-N 2.86Å; H570-V573 PolarHBondContact O-N 3.39Å; V573-I576 PolarHBondContact O-N 3.36Å; V573-C577 WeakPolarHBondContact O-CB 3.4Å; V573-C577 PolarHBondContact O-N 3.36Å; V573-C577 PolarHBondContact O-SG 3.44Å
574	N	83.4	Confident	75	Confident	90 Å²	90	63.5 Å²	63.5	48%	0.481	33%	0.334	S	S	.	.	H	α-helix	trans	-63.8	-42.5	176.3	-69.9	-24.7	0	0	0	111.9	H570 Y572 C577 S578	H570-N574 WeakPolarHBondContact O-CB 3.31Å; H570-N574 PolarHBondContact O-N 3.34Å; H570-N574 PolarHBondContact O-ND2 3.23Å; H570-N574 VanDerWaalsContact O-ND2 3.08Å; Y572-N574 VanDerWaalsContact C-N 3.3Å; Y572-N574 PolarHBondContact O-N 3.4Å; N574-C577 PolarHBondContact O-N 3.28Å; N574-S578 WeakPolarHBondContact O-CB 3.26Å; N574-S578 PolarHBondContact O-N 3.17Å; N574-S578 PolarHBondContact O-OG 3.12Å
575	W	81.6	Confident	72.5	Confident	152 Å²	152	68.9 Å²	68.9	58%	0.576	37%	0.367	S	S	*	.	H	α-helix	trans	-60.3	-46.9	175.3	175.7	81.8	0	0	0	111.7	D571 Y572 S578 N579	D571-W575 WeakPolarHBondContact O-CB 3.13Å; D571-W575 PolarHBondContact O-N 2.81Å; D571-W575 VanDerWaalsContact O-N 3.1Å; Y572-W575 HydrophobicContact CD2-CD2 4.47Å; Y572-W575 AromaticContact CD2-CE3 3.58Å; Y572-W575 HydrophobicContact CD2-CE3 3.58Å; Y572-W575 HydrophobicContact CD2-CZ3 4.13Å; Y572-W575 AromaticContact CE2-CE3 3.37Å; Y572-W575 HydrophobicContact CE2-CE3 3.37Å; Y572-W575 AromaticContact CE2-CZ3 3.41Å; Y572-W575 HydrophobicContact CE2-CZ3 3.41Å; Y572-W575 VanDerWaalsContact CE2-CZ3 3.41Å; Y572-W575 PolarHBondContact O-N 2.78Å; W575-S578 PolarHBondContact O-N 3.49Å; W575-N579 WeakPolarHBondContact CZ2-ND2 3.28Å; W575-N579 PolarHBondContact NE1-ND2 3.14Å; W575-N579 PolarHBondContact O-N 3.43Å; W575-N579 VanDerWaalsContact O-N 3.12Å; W575-N579 PolarHBondContact O-ND2 3.06Å
576	I	80.7	Confident	69.8	Low	17 Å²	17	71 Å²	71	9%	0.087	39%	0.385	C	S	.	.	H	α-helix	trans	-61.2	-50	177	-67.7	170.8	0	0	0	110.3	L469 Y572 V573 S578 N579 Y580	L469-I576 HydrophobicContact CD2-CD1 3.27Å; Y572-I576 HydrophobicContact CD1-CD1 3.64Å; Y572-I576 HydrophobicContact CD1-CG1 4.47Å; Y572-I576 HydrophobicContact CD2-CD1 4.13Å; Y572-I576 HydrophobicContact CD2-CG1 4.11Å; Y572-I576 HydrophobicContact CE1-CD1 3.25Å; Y572-I576 HydrophobicContact CE1-CG1 4.19Å; Y572-I576 HydrophobicContact CE2-CD1 3.87Å; Y572-I576 HydrophobicContact CE2-CG1 3.9Å; Y572-I576 HydrophobicContact CG-CD1 4.07Å; Y572-I576 HydrophobicContact CG-CG1 4.43Å; Y572-I576 WeakPolarHBondContact O-CG1 3.28Å; Y572-I576 PolarHBondContact O-N 3.16Å; V573-I576 PolarHBondContact O-N 3.36Å; I576-S578 VanDerWaalsContact C-N 3.27Å; I576-S578 PolarHBondContact O-N 3.1Å; I576-N579 PolarHBondContact O-N 3.33Å; I576-Y580 HydrophobicContact CG2-CD2 3.75Å; I576-Y580 HydrophobicContact CG2-CE2 3.67Å; I576-Y580 VanDerWaalsContact O-CD2 3.3Å; I576-Y580 WeakPolarHBondContact O-CD2 3.3Å; I576-Y580 PolarHBondContact O-N 3.33Å; I576-Y580 VanDerWaalsContact O-N 3.1Å
577	C	81.8	Confident	66.8	Low	18 Å²	18	77 Å²	77	12%	0.122	42%	0.421	C	S	.	.	H	α-helix	trans	-64.5	-33.8	-175.6	-62.4	0	0	0	0	112.2	G524 V573 N574 Y580 S581	G524-C577 WeakPolarHBondContact CA-SG 3.4Å; V573-C577 WeakPolarHBondContact O-CB 3.4Å; V573-C577 PolarHBondContact O-N 3.36Å; V573-C577 PolarHBondContact O-SG 3.44Å; N574-C577 PolarHBondContact O-N 3.28Å; C577-Y580 PolarHBondContact O-N 3.45Å; C577-S581 PolarHBondContact O-N 3.38Å; C577-S581 PolarHBondContact O-OG 3.29Å
578	S	76.2	Confident	64.1	Low	72 Å²	72	82.3 Å²	82.3	50%	0.503	45%	0.45	S	S	.	.	H	α-helix	trans	-64.8	-43.4	173.9	-58.1	0	0	0	0	111.9	N574 W575 I576 Y580 S581 T582	N574-S578 WeakPolarHBondContact O-CB 3.26Å; N574-S578 PolarHBondContact O-N 3.17Å; N574-S578 PolarHBondContact O-OG 3.12Å; W575-S578 PolarHBondContact O-N 3.49Å; I576-S578 VanDerWaalsContact C-N 3.27Å; I576-S578 PolarHBondContact O-N 3.1Å; S578-Y580 PolarHBondContact O-N 3.48Å; S578-S581 PolarHBondContact O-N 2.93Å; S578-T582 PolarHBondContact O-OG1 3.21Å
579	N	68.3	Low	61.5	Low	59 Å²	59	88.6 Å²	88.6	32%	0.316	48%	0.483	S	S	.	.	H	α-helix	trans	-69	-30.9	179.3	-73.2	-49.2	0	0	0	113.5	W575 I576 S581 T582 I583	W575-N579 WeakPolarHBondContact CZ2-ND2 3.28Å; W575-N579 PolarHBondContact NE1-ND2 3.14Å; W575-N579 PolarHBondContact O-N 3.43Å; W575-N579 VanDerWaalsContact O-N 3.12Å; W575-N579 PolarHBondContact O-ND2 3.06Å; I576-N579 PolarHBondContact O-N 3.33Å; N579-S581 VanDerWaalsContact C-N 3.27Å; N579-S581 PolarHBondContact O-N 3.28Å; N579-T582 PolarHBondContact O-N 3.03Å; N579-I583 WeakPolarHBondContact O-CD1 3.44Å; N579-I583 VanDerWaalsContact O-CG1 3.28Å; N579-I583 WeakPolarHBondContact O-CG1 3.46Å; N579-I583 PolarHBondContact O-N 3.13Å; N579-I583 VanDerWaalsContact O-N 3.13Å
580	Y	60.7	Low	58.9	Low	120 Å²	120	94.1 Å²	94.1	47%	0.471	51%	0.51	S	S	.	.	H	α-helix	trans	-65	-32	175.1	-92.5	-99.7	0	0	0	112.7	R484 I576 C577 S578 T582 S584	R484-Y580 PolarHBondContact NE-OH 3.12Å; R484-Y580 VanDerWaalsContact NH2-CZ 3.28Å; I576-Y580 HydrophobicContact CG2-CD2 3.75Å; I576-Y580 HydrophobicContact CG2-CE2 3.67Å; I576-Y580 VanDerWaalsContact O-CD2 3.3Å; I576-Y580 WeakPolarHBondContact O-CD2 3.3Å; I576-Y580 PolarHBondContact O-N 3.33Å; I576-Y580 VanDerWaalsContact O-N 3.1Å; C577-Y580 PolarHBondContact O-N 3.45Å; S578-Y580 PolarHBondContact O-N 3.48Å; Y580-T582 VanDerWaalsContact C-N 3.33Å; Y580-S584 PolarHBondContact O-OG 3.17Å
581	S	51.4	Low	56.3	Low	85 Å²	85	93.2 Å²	93.2	59%	0.594	52%	0.518	S	S	*	.	H	α-helix	trans	-68.8	-34.2	176.8	-56.5	0	0	0	0	111.6	C577 S578 N579 S584	C577-S581 PolarHBondContact O-N 3.38Å; C577-S581 PolarHBondContact O-OG 3.29Å; S578-S581 PolarHBondContact O-N 2.93Å; N579-S581 VanDerWaalsContact C-N 3.27Å; N579-S581 PolarHBondContact O-N 3.28Å; S581-S584 PolarHBondContact O-OG 3.23Å
582	T	48.7	Very low	54	Low	87 Å²	87	94 Å²	94	53%	0.534	52%	0.521	S	S	.	.	H	α-helix	trans	-78.4	-37.5	-178.5	-49	0	0	0	0	113	S578 N579 Y580 S584 T585	S578-T582 PolarHBondContact O-OG1 3.21Å; N579-T582 PolarHBondContact O-N 3.03Å; Y580-T582 VanDerWaalsContact C-N 3.33Å; T582-S584 VanDerWaalsContact C-N 3.34Å; T582-S584 PolarHBondContact O-N 3.41Å; T582-T585 PolarHBondContact O-N 3.39Å
583	I	43.6	Very low	51.6	Low	121 Å²	121	101.3 Å²	101.3	62%	0.621	55%	0.549	S	S	*	.	H	α-helix	trans	-70.1	-28.1	-175.2	-64.7	162.9	0	0	0	112.4	N579 T585 T586	N579-I583 WeakPolarHBondContact O-CD1 3.44Å; N579-I583 VanDerWaalsContact O-CG1 3.28Å; N579-I583 WeakPolarHBondContact O-CG1 3.46Å; N579-I583 PolarHBondContact O-N 3.13Å; N579-I583 VanDerWaalsContact O-N 3.13Å; I583-T585 PolarHBondContact O-N 3.46Å; I583-T585 VanDerWaalsContact O-N 3.17Å; I583-T586 PolarHBondContact O-N 3.26Å
584	S	38.8	Very low	49	Very low	99 Å²	99	104.7 Å²	104.7	69%	0.692	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	-10.5	175.1	14.3	0	0	0	0	114.8	Y580 S581 T582	Y580-S584 PolarHBondContact O-OG 3.17Å; S581-S584 PolarHBondContact O-OG 3.23Å; T582-S584 VanDerWaalsContact C-N 3.34Å; T582-S584 PolarHBondContact O-N 3.41Å
585	T	37.2	Very low	46.4	Very low	116 Å²	116	106.8 Å²	106.8	71%	0.712	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111	-6.3	-177.1	-25.2	0	0	0	0	113.3	T582 I583	T582-T585 PolarHBondContact O-N 3.39Å; I583-T585 PolarHBondContact O-N 3.46Å; I583-T585 VanDerWaalsContact O-N 3.17Å
586	T	31.7	Very low	44	Very low	87 Å²	87	105.9 Å²	105.9	53%	0.534	60%	0.6	S	S	.	*			trans	-138.7	63.4	-175.5	-40.6	0	0	0	0	111.2	I583 N588	I583-T586 PolarHBondContact O-N 3.26Å; T586-N588 PolarHBondContact O-N 3.4Å
587	T	29.6	Very low	41.8	Very low	125 Å²	125	112.4 Å²	112.4	77%	0.767	64%	0.635	S	S	*	*			trans	-59.2	124.3	147	23.1	0	0	0	0	107.4
588	N	32.6	Very low	39.5	Very low	137 Å²	137	120.8 Å²	120.8	73%	0.733	67%	0.669	S	S	*	*	S	Bend	trans	95.2	76.3	-176.1	-45.4	-28.4	0	0	0	114.1	T586	T586-N588 PolarHBondContact O-N 3.4Å
589	N	32.5	Very low	37.4	Very low	153 Å²	153	122.4 Å²	122.4	82%	0.818	68%	0.681	S	S	*	*				178.3	118.9	124.9	-84.9	-22.3	0	0	0	109.9	A591	N589-A591 PolarHBondContact O-N 3.26Å
590	I	31.5	Very low	35.5	Very low	157 Å²	157	129 Å²	129	81%	0.805	71%	0.709	S	S	*	*			trans	-58.2	122.3	171.8	-65.4	158.6	0	0	0	108.2	I592	I590-I592 HydrophobicContact CG2-CD1 3.99Å; I590-I592 HydrophobicContact CG2-CG1 3.97Å
591	A	30.5	Very low	34.3	Very low	67 Å²	67	129.2 Å²	129.2	55%	0.554	72%	0.723	S	S	*	*			trans	-133.8	86.3	163	0	0	0	0	0	108.7	N589 Y593	N589-A591 PolarHBondContact O-N 3.26Å; A591-Y593 HydrophobicContact CB-CD2 4.18Å; A591-Y593 HydrophobicContact CB-CE2 3.64Å; A591-Y593 PolarHBondContact O-N 3.4Å
592	I	28.8	Very low	33.4	Very low	148 Å²	148	131.2 Å²	131.2	76%	0.759	73%	0.726	S	S	*	*			trans	-60.6	115.8	158.1	-62.8	160.3	0	0	0	105.9	I590	I590-I592 HydrophobicContact CG2-CD1 3.99Å; I590-I592 HydrophobicContact CG2-CG1 3.97Å
593	Y	31.2	Very low	32.8	Very low	214 Å²	214	134 Å²	134	84%	0.839	74%	0.737	S	S	*	*			trans	-99.8	92.9	166.6	-77.8	-76.5	0	0	0	108.9	A591	A591-Y593 HydrophobicContact CB-CD2 4.18Å; A591-Y593 HydrophobicContact CB-CE2 3.64Å; A591-Y593 PolarHBondContact O-N 3.4Å
594	S	28.3	Very low	32.3	Very low	75 Å²	75	133.7 Å²	133.7	52%	0.524	74%	0.737	S	S	.	*			trans	-59.2	126.9	154.2	-170.6	0	0	0	0	108	D596	S594-D596 PolarHBondContact O-N 3.37Å; S594-D596 PolarHBondContact OG-OD2 2.82Å
595	C	28.4	Very low	32.1	Very low	134 Å²	134	136.5 Å²	136.5	91%	0.905	74%	0.744	S	S	*	*			trans	-87.2	85.2	170.8	-167.8	0	0	0	0	107.4
596	D	32.3	Very low	32	Very low	133 Å²	133	139.4 Å²	139.4	71%	0.711	75%	0.749	S	S	*	*			trans	-93.5	122.5	173.1	-77.1	-57.8	0	0	0	110.3	S594	S594-D596 PolarHBondContact O-N 3.37Å; S594-D596 PolarHBondContact OG-OD2 2.82Å
597	D	33.2	Very low	31.9	Very low	153 Å²	153	144.8 Å²	144.8	82%	0.818	76%	0.761	S	S	*	*			trans	-44.1	133.8	164.7	-82.1	-44.4	0	0	0	112.2
598	K	34	Very low	32.1	Very low	194 Å²	194	145.7 Å²	145.7	84%	0.843	76%	0.761	S	S	*	*			trans	-171.2	106.3	145.1	-101.5	152.2	-155.6	179.1	0	113.7
599	S	31.9	Very low	32.2	Very low	106 Å²	106	141.9 Å²	141.9	74%	0.741	76%	0.755	S	S	*	*			trans	52.4	106.9	131.1	63.9	0	0	0	0	119.6
600	H	28.4	Very low	32.2	Very low	197 Å²	197	141.1 Å²	141.1	91%	0.912	75%	0.751	S	S	*	*			trans	-80.2	140.2	152.4	-86.9	-71.5	0	0	0	111.5
601	T	36	Very low	32.3	Very low	125 Å²	125	142 Å²	142	77%	0.767	75%	0.749	S	S	*	*			trans	-117	104.3	163.7	-18.2	0	0	0	0	109.4
602	I	31.4	Very low	32.2	Very low	127 Å²	127	144.8 Å²	144.8	65%	0.651	76%	0.759	S	S	*	*			trans	41.3	120	133	-51.1	171.5	0	0	0	118.8
603	D	37.3	Very low	32.2	Very low	145 Å²	145	145.1 Å²	145.1	78%	0.775	76%	0.761	S	S	*	*				-159.6	102.9	118	-99.3	-29.3	0	0	0	113.9
604	N	33.1	Very low	31.9	Very low	115 Å²	115	141.9 Å²	141.9	62%	0.615	76%	0.757	S	S	*	*			trans	42.7	109.7	131.8	-62.6	-49.4	0	0	0	120.5
605	N	34.6	Very low	32	Very low	158 Å²	158	145.1 Å²	145.1	85%	0.845	77%	0.767	S	S	*	*				176.2	131.6	96.6	-89.2	-40.7	0	0	0	114.1
606	H	34	Very low	32.1	Very low	177 Å²	177	149.6 Å²	149.6	82%	0.819	78%	0.779	S	S	*	*			trans	87.4	85.3	150	-138.2	72	0	0	0	120.4
607	Y	30.1	Very low	32.1	Very low	200 Å²	200	150.4 Å²	150.4	78%	0.784	78%	0.783	S	S	*	*				25.1	138	121.2	-96.1	-100.2	0	0	0	118.3
608	D	34.3	Very low	32	Very low	144 Å²	144	150.3 Å²	150.3	77%	0.77	78%	0.781	S	S	*	*			cis	-166.5	152.1	37.5	-166.6	6.7	0	0	0	111.2
609	G	33.6	Very low	31.9	Very low	57 Å²	57	147.8 Å²	147.8	59%	0.588	78%	0.777	S	S	*	*			trans	111.3	77.5	144.3	0	0	0	0	0	119.7
610	D	32.6	Very low	31.9	Very low	137 Å²	137	150.3 Å²	150.3	73%	0.733	78%	0.78	S	S	*	*				66.3	94.9	128.9	-82.3	10.3	0	0	0	121.1
611	K	34.4	Very low	32.1	Very low	177 Å²	177	147.4 Å²	147.4	77%	0.77	77%	0.771	S	S	*	*				150.3	97.2	104.7	-84.3	161.6	-172.7	175.8	0	113.2
612	T	28.4	Very low	31.8	Very low	124 Å²	124	148.9 Å²	148.9	76%	0.761	77%	0.772	S	S	*	*				25.4	108.5	125.5	-32.2	0	0	0	0	117.9	I614	T612-I614 HydrophobicContact CG2-CG1 4.23Å
613	L	28.1	Very low	31.9	Very low	155 Å²	155	150.4 Å²	150.4	81%	0.812	78%	0.78	S	S	*	*			trans	-130.1	113.2	146.2	-159.3	78.5	0	0	0	109.1	I615	L613-I615 HydrophobicContact CD2-CG1 4.28Å
614	I	26.2	Very low	31.5	Very low	146 Å²	146	150.8 Å²	150.8	75%	0.749	78%	0.781	S	S	*	*			trans	-74.6	120.8	168.9	-62.5	171.4	0	0	0	106	T612	T612-I614 HydrophobicContact CG2-CG1 4.23Å
615	I	29.3	Very low	31.3	Very low	144 Å²	144	153.8 Å²	153.8	74%	0.738	79%	0.794	S	S	*	*			trans	-109.7	121	171.8	-59	177	0	0	0	106.3	L613	L613-I615 HydrophobicContact CD2-CG1 4.28Å
616	I	30.4	Very low	31	Very low	227 Å²	227	153.5 Å²	153.5	100%	1.164	79%	0.79	S	S	*	*			trans	-70.2	0	163.9	-58.8	173.2	0	0	0	107.8

Retrieved 616 of 616 residues in 132.2 ms (Link to these results)

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