A0A5K4FFR4_SCHMA Loading...

LTD domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FFR4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 593 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.3	Very low	40.1	Very low	239 Å²	239	159.8 Å²	159.8	100%	1.177	85%	0.85	S	S	*	*				0	156.9	0	-70.5	-175	178	0	0	108.8
2	S	41.2	Very low	39.6	Very low	125 Å²	125	161.2 Å²	161.2	87%	0.874	85%	0.847	S	S	*	*			trans	61.3	163.8	179.5	-67.6	0	0	0	0	116.5
3	A	41.3	Very low	39.9	Very low	82 Å²	82	157.2 Å²	157.2	68%	0.678	84%	0.841	S	S	*	*			cis	-173	128.4	-39.9	0	0	0	0	0	108.6
4	R	41.9	Very low	39.7	Very low	246 Å²	246	159.6 Å²	159.6	93%	0.928	85%	0.845	S	S	*	*			trans	173.4	109.6	141.4	-100.2	160.5	178.4	-179.9	-0.5	111.5
5	A	41.4	Very low	40	Very low	102 Å²	102	161.5 Å²	161.5	84%	0.843	84%	0.843	S	S	*	*			trans	-73.1	141.9	153.9	0	0	0	0	0	108.8
6	R	43.5	Very low	39.9	Very low	218 Å²	218	161.4 Å²	161.4	82%	0.823	84%	0.844	S	S	*	*			trans	-124.7	79.4	167.2	-158	175.9	-168.9	176	3.6	110.7
7	K	36.4	Very low	39.5	Very low	200 Å²	200	163.5 Å²	163.5	87%	0.87	85%	0.848	S	S	*	*			trans	-78.6	112.5	171.6	-175.6	177.2	-175.6	176.6	0	108.3
8	Q	43	Very low	39.2	Very low	161 Å²	161	158.3 Å²	158.3	75%	0.752	84%	0.841	S	S	*	*			trans	-116.3	133.1	166.9	-81.2	-177	-83.1	0	0	109.8
9	K	34.7	Very low	39.1	Very low	199 Å²	199	156.2 Å²	156.2	87%	0.865	84%	0.84	S	S	*	*			trans	-126.5	116.3	-175.3	176.7	-162.1	176.4	-167	0	106.9
10	A	42.2	Very low	39.7	Very low	100 Å²	100	154 Å²	154	83%	0.826	83%	0.834	S	S	*	*			trans	-164.6	147.8	172.5	0	0	0	0	0	108.3
11	A	37.6	Very low	39.4	Very low	86 Å²	86	152.7 Å²	152.7	71%	0.711	83%	0.832	S	S	*	*			cis	-161.3	154.6	-23.3	0	0	0	0	0	106.6
12	E	34	Very low	39.7	Very low	176 Å²	176	147.4 Å²	147.4	82%	0.822	82%	0.818	S	S	*	*			trans	-63.1	147.9	175.3	-65.3	93.1	147.6	0	0	112.5
13	S	43.7	Very low	39.3	Very low	109 Å²	109	150.7 Å²	150.7	76%	0.762	82%	0.817	S	S	*	*			trans	-147	53.5	164.4	75.8	0	0	0	0	112.1
14	E	36.3	Very low	39	Very low	191 Å²	191	151.3 Å²	151.3	89%	0.893	82%	0.817	S	S	*	*			trans	-63.9	138.7	154.6	-65.6	-175.4	143.4	0	0	108.6
15	K	44.8	Very low	39.3	Very low	189 Å²	189	150.7 Å²	150.7	82%	0.822	81%	0.814	S	S	*	*			trans	-144.5	118.7	177.3	-83.3	-166.5	172	-176.5	0	112.7
16	N	38.1	Very low	39.2	Very low	159 Å²	159	151.6 Å²	151.6	85%	0.85	81%	0.814	S	S	*	*			trans	48.8	106.6	157.2	-69.1	25.2	0	0	0	119.3
17	E	32.8	Very low	39.5	Very low	198 Å²	198	146.8 Å²	146.8	93%	0.925	81%	0.809	S	S	*	*			trans	-77.7	165.1	132.4	-61.8	-171.2	139.9	0	0	110.9
18	G	34.2	Very low	39.8	Very low	70 Å²	70	143.4 Å²	143.4	72%	0.722	81%	0.805	S	S	*	*			trans	119.2	137.3	178.4	0	0	0	0	0	112.5
19	S	37.8	Very low	39.9	Very low	118 Å²	118	143.4 Å²	143.4	83%	0.825	81%	0.809	S	S	*	*			cis	-150.1	-158.9	10	-60.4	0	0	0	0	110
20	P	50.1	Low	39.7	Very low	111 Å²	111	140.2 Å²	140.2	72%	0.721	80%	0.797	S	S	*	*				-129.1	173.9	-80.4	40.6	-26	0	0	0	115.8
21	T	34.4	Very low	39.6	Very low	127 Å²	127	144.6 Å²	144.6	78%	0.779	79%	0.792	S	S	*	*			trans	13.7	141.1	152.3	57.1	0	0	0	0	122.3
22	S	43.8	Very low	39.4	Very low	128 Å²	128	146.1 Å²	146.1	90%	0.895	80%	0.798	S	S	*	*			trans	-145.1	165.4	155.4	-81.9	0	0	0	0	111.9
23	F	33.1	Very low	39.7	Very low	195 Å²	195	146.2 Å²	146.2	86%	0.855	80%	0.797	S	S	*	*			trans	-126.9	143	-146.4	-138.3	-111.4	0	0	0	114.8
24	S	35.8	Very low	39.4	Very low	94 Å²	94	148 Å²	148	66%	0.657	80%	0.804	S	S	*	*			trans	39.8	133.6	151.5	68.9	0	0	0	0	122.2
25	R	47.6	Very low	39.1	Very low	234 Å²	234	145 Å²	145	88%	0.883	80%	0.804	S	S	*	*				-159.6	137.8	127.3	-125.9	174.9	-179.4	167.1	0.8	114.2	V27	R25-V27 HydrophobicContact CG-CG2 4.31Å
26	S	40.2	Very low	38.7	Very low	120 Å²	120	141.7 Å²	141.7	84%	0.839	81%	0.805	S	S	*	*			trans	-138.9	140.5	159.1	51.6	0	0	0	0	107.9
27	V	49.6	Very low	38.4	Very low	117 Å²	117	140 Å²	140	71%	0.709	81%	0.806	S	S	*	*			trans	-145.9	139.2	-175.4	-179.7	0	0	0	0	109.2	R25	R25-V27 HydrophobicContact CG-CG2 4.31Å
28	T	42.2	Very low	38.1	Very low	129 Å²	129	133.7 Å²	133.7	79%	0.791	79%	0.793	S	S	*	*			trans	-97	153.4	-178.4	-45	0	0	0	0	111.2
29	I	45	Very low	38.1	Very low	162 Å²	162	136.1 Å²	136.1	83%	0.831	80%	0.799	S	S	*	*			trans	-123.6	136.6	174.8	-67.4	178.4	0	0	0	109.9
30	E	30.8	Very low	38.5	Very low	132 Å²	132	136.2 Å²	136.2	62%	0.617	80%	0.797	S	S	*	*			trans	-138.9	157.7	178	-94.7	-146.3	141.6	0	0	111.6
31	R	40.2	Very low	38.1	Very low	192 Å²	192	142.5 Å²	142.5	73%	0.725	81%	0.806	S	S	*	*			trans	30.9	145.5	146.5	-53.5	178	-151.9	-129.3	-3.7	121.4
32	S	33.6	Very low	38.4	Very low	118 Å²	118	145.8 Å²	145.8	83%	0.825	81%	0.81	S	S	*	*				173.2	165.7	111.5	-79	0	0	0	0	114
33	H	39.2	Very low	38.1	Very low	177 Å²	177	143.8 Å²	143.8	82%	0.819	80%	0.796	S	S	*	*			trans	-121.8	157.3	-170.7	-41.9	-106.9	0	0	0	112.9
34	T	36.9	Very low	38.3	Very low	147 Å²	147	143.2 Å²	143.2	90%	0.902	79%	0.794	S	S	*	*			trans	-151.5	153.9	151.4	43.2	0	0	0	0	111.4
35	S	30.8	Very low	38.3	Very low	128 Å²	128	144 Å²	144	90%	0.895	80%	0.799	S	S	*	*			trans	-108.2	164.2	-164.5	-46.2	0	0	0	0	114.8
36	S	37.2	Very low	37.9	Very low	119 Å²	119	143.2 Å²	143.2	83%	0.832	80%	0.796	S	S	*	*			trans	-125.5	149.3	173.8	57	0	0	0	0	114
37	S	31.1	Very low	37.3	Very low	125 Å²	125	141.1 Å²	141.1	87%	0.874	78%	0.781	S	S	*	*			trans	-82.1	171.5	174.3	51.7	0	0	0	0	112.8
38	G	26.3	Very low	36.3	Very low	64 Å²	64	142.5 Å²	142.5	66%	0.66	78%	0.78	S	S	*	*			cis	150.9	61.5	-2.8	0	0	0	0	0	115.7
39	S	35.3	Very low	35.9	Very low	122 Å²	122	146.5 Å²	146.5	85%	0.853	78%	0.78	S	S	*	*			trans	69.6	178.8	144.3	-32.2	0	0	0	0	118.1
40	P	46	Very low	35.2	Very low	119 Å²	119	144 Å²	144	77%	0.773	78%	0.778	S	S	*	*				-130	175.6	-126.6	27.5	-1.2	0	0	0	116.9
41	R	41.4	Very low	35.4	Very low	243 Å²	243	143.1 Å²	143.1	92%	0.917	79%	0.786	S	S	*	*			trans	-140.5	136.5	169.3	-60.2	-178.7	176.7	-170.9	-3.2	109
42	K	40.3	Very low	34.8	Very low	196 Å²	196	139.3 Å²	139.3	85%	0.852	79%	0.789	S	S	*	*			cis	86	135.6	27.8	-82.2	-167.8	170	-178.6	0	117.5
43	S	36.4	Very low	35.3	Very low	87 Å²	87	139 Å²	139	61%	0.608	78%	0.783	S	S	*	*			trans	85.9	153.5	143.1	50.8	0	0	0	0	122.7
44	F	38.6	Very low	35.1	Very low	183 Å²	183	137.9 Å²	137.9	80%	0.803	78%	0.783	S	S	*	*			trans	78.6	129.7	171.3	-49.7	-68.5	0	0	0	116.4
45	S	35	Very low	34.9	Very low	109 Å²	109	134.7 Å²	134.7	76%	0.762	76%	0.763	S	S	*	*			cis	75.9	150.1	10.6	100.5	0	0	0	0	117
46	R	38.9	Very low	35.1	Very low	219 Å²	219	134.9 Å²	134.9	83%	0.826	75%	0.753	S	S	*	*			cis	-145.6	143.6	6.8	176.8	-164.1	176.1	-177.6	3.3	110.3
47	S	29.3	Very low	35.6	Very low	75 Å²	75	134 Å²	134	52%	0.524	75%	0.747	S	S	.	*			trans	66.7	147.1	170.9	-75.3	0	0	0	0	114.4
48	E	28.8	Very low	36.1	Very low	146 Å²	146	135.1 Å²	135.1	68%	0.682	73%	0.732	S	S	*	*				50	142.8	95.2	-40.2	162	-132.1	0	0	114.6
49	R	33.4	Very low	36.9	Very low	213 Å²	213	135 Å²	135	80%	0.804	72%	0.721	S	S	*	*			cis	-151.6	169	41.7	-80.6	-174.4	162.6	-167.3	-7	115.4
50	S	30.5	Very low	37.8	Very low	111 Å²	111	136.9 Å²	136.9	78%	0.776	72%	0.716	S	S	*	*			trans	68.4	135.7	153.2	50.6	0	0	0	0	120.1
51	S	33.7	Very low	38.2	Very low	113 Å²	113	139 Å²	139	79%	0.79	72%	0.716	S	S	*	*				179.9	65.5	-66.9	56.7	0	0	0	0	111.7
52	S	27.8	Very low	38.9	Very low	112 Å²	112	135 Å²	135	78%	0.783	71%	0.705	S	S	*	*			trans	-169.5	154.9	-177.2	54.9	0	0	0	0	112.3
53	P	45.1	Very low	39.5	Very low	110 Å²	110	132.2 Å²	132.2	71%	0.714	70%	0.699	S	S	*	*			cis	-133.8	144.7	-49.7	36	-21.5	0	0	0	112.4
54	L	34	Very low	40.2	Very low	155 Å²	155	133.9 Å²	133.9	81%	0.812	70%	0.698	S	S	*	*			trans	66.4	129.6	171.6	-52.9	175.6	0	0	0	113.6
55	T	33	Very low	40.9	Very low	80 Å²	80	128.8 Å²	128.8	49%	0.491	68%	0.678	S	S	.	*				56.9	132.1	57.5	75.9	0	0	0	0	113
56	I	35.5	Very low	42.3	Very low	131 Å²	131	126 Å²	126	67%	0.672	66%	0.662	S	S	*	*	S	Bend	cis	-139.2	19.4	27.4	-141.7	150.9	0	0	0	115.8	R58	I56-R58 WeakPolarHBondContact O-CB 3.47Å
57	S	47.8	Very low	43.4	Very low	101 Å²	101	121.4 Å²	121.4	71%	0.706	65%	0.649	S	S	*	*	S	Bend	trans	-108.9	103.4	140.9	173.2	0	0	0	0	105.5
58	R	40.6	Very low	44.7	Very low	149 Å²	149	122.4 Å²	122.4	56%	0.562	65%	0.649	S	S	*	*			cis	65.8	93.1	18.1	-84.2	-173.1	177.6	163.6	-1.5	113.1	I56 E60	I56-R58 WeakPolarHBondContact O-CB 3.47Å; R58-E60 PolarHBondContact O-N 2.89Å
59	S	43.8	Very low	46.8	Very low	61 Å²	61	120.7 Å²	120.7	43%	0.427	64%	0.644	S	S	.	*	S	Bend		85.6	-22.4	85.9	68.1	0	0	0	0	113.5	D63	S59-D63 PolarHBondContact O-N 3.4Å
60	E	53.4	Low	48.7	Very low	162 Å²	162	116.2 Å²	116.2	76%	0.757	64%	0.636	S	S	*	*	H	α-helix	trans	-65.6	-61.7	155.2	-71.1	172.4	-177.4	0	0	107.5	R58 K62 D63 E64	R58-E60 PolarHBondContact O-N 2.89Å; E60-K62 PolarHBondContact O-N 3.13Å; E60-D63 PolarHBondContact O-N 2.65Å; E60-E64 VanDerWaalsContact O-CA 3.32Å; E60-E64 WeakPolarHBondContact O-CA 3.43Å; E60-E64 WeakPolarHBondContact O-CB 3.5Å; E60-E64 PolarHBondContact O-N 2.84Å
61	E	56	Low	50.7	Low	164 Å²	164	117.8 Å²	117.8	77%	0.766	63%	0.625	S	S	*	*	H	α-helix	trans	-65.1	23.6	176	-153.6	-167.7	-150.5	0	0	116.2	E64	E61-E64 CarbonylContact C-O 3.44Å
62	K	54	Low	52.7	Low	157 Å²	157	116.6 Å²	116.6	68%	0.683	61%	0.609	S	S	*	*	H	α-helix	trans	-134.9	-40.1	177.4	-145.5	177.3	-172.4	179.5	0	112.4	E60 E64 A66	E60-K62 PolarHBondContact O-N 3.13Å; K62-E64 CarbonylContact C-O 3.27Å; K62-E64 VanDerWaalsContact C-O 3.27Å; K62-E64 WeakPolarHBondContact CA-O 3.21Å; K62-E64 PolarHBondContact N-O 2.68Å; K62-A66 WeakPolarHBondContact O-CB 3.45Å; K62-A66 PolarHBondContact O-N 3.31Å
63	D	54.7	Low	54.9	Low	138 Å²	138	113.3 Å²	113.3	74%	0.738	59%	0.589	S	S	*	*	H	α-helix	trans	-84.7	-34.1	168.5	-66	-10.7	0	0	0	110.3	S59 E60 L65	S59-D63 PolarHBondContact O-N 3.4Å; E60-D63 PolarHBondContact O-N 2.65Å; D63-L65 VanDerWaalsContact C-N 3.31Å; D63-L65 PolarHBondContact O-N 2.97Å
64	E	50.3	Low	56.5	Low	123 Å²	123	110 Å²	110	58%	0.575	58%	0.575	S	S	*	*	H	α-helix	trans	-54.8	110.5	142	-72.6	-150.1	159.3	0	0	107.5	E60 E61 K62 A66	E60-E64 VanDerWaalsContact O-CA 3.32Å; E60-E64 WeakPolarHBondContact O-CA 3.43Å; E60-E64 WeakPolarHBondContact O-CB 3.5Å; E60-E64 PolarHBondContact O-N 2.84Å; E61-E64 CarbonylContact C-O 3.44Å; K62-E64 CarbonylContact C-O 3.27Å; K62-E64 VanDerWaalsContact C-O 3.27Å; K62-E64 WeakPolarHBondContact CA-O 3.21Å; K62-E64 PolarHBondContact N-O 2.68Å; E64-A66 PolarHBondContact O-N 2.72Å
65	L	53.9	Low	58.7	Low	75 Å²	75	108.7 Å²	108.7	39%	0.393	56%	0.56	S	S	.	*	H	α-helix	trans	76.4	13.8	134	-62.1	174.5	0	0	0	114.3	D63 H67 L68 N69	D63-L65 VanDerWaalsContact C-N 3.31Å; D63-L65 PolarHBondContact O-N 2.97Å; L65-H67 HydrophobicContact CD2-CB 4.12Å; L65-H67 PolarHBondContact O-N 2.91Å; L65-L68 HydrophobicContact CB-CB 3.71Å; L65-L68 HydrophobicContact CD2-CB 3.93Å; L65-L68 HydrophobicContact CD2-CD1 4.09Å; L65-L68 HydrophobicContact CG-CB 4.34Å; L65-L68 WeakPolarHBondContact O-CA 3.5Å; L65-L68 WeakPolarHBondContact O-CB 3.32Å; L65-L68 PolarHBondContact O-N 2.97Å; L65-N69 PolarHBondContact O-N 3.02Å; L65-N69 VanDerWaalsContact O-N 3.13Å
66	A	63.4	Low	61	Low	50 Å²	50	108.9 Å²	108.9	41%	0.413	56%	0.557	S	S	.	*	H	α-helix		-49.6	-35.2	121.5	0	0	0	0	0	110.8	K62 E64 L68 N69 D70	K62-A66 WeakPolarHBondContact O-CB 3.45Å; K62-A66 PolarHBondContact O-N 3.31Å; E64-A66 PolarHBondContact O-N 2.72Å; A66-L68 PolarHBondContact O-N 2.99Å; A66-N69 CarbonylContact O-C 3.48Å; A66-N69 VanDerWaalsContact O-CA 3.31Å; A66-N69 WeakPolarHBondContact O-CA 3.35Å; A66-N69 VanDerWaalsContact O-CB 3.26Å; A66-N69 WeakPolarHBondContact O-CB 3.5Å; A66-N69 PolarHBondContact O-N 3.19Å; A66-D70 PolarHBondContact O-N 3.01Å
67	H	61.5	Low	63.3	Low	123 Å²	123	107.3 Å²	107.3	57%	0.569	55%	0.55	S	S	*	.	H	α-helix	trans	-59.3	-18.9	164.4	-172.4	-20.4	0	0	0	114	L65 R71	L65-H67 HydrophobicContact CD2-CB 4.12Å; L65-H67 PolarHBondContact O-N 2.91Å; H67-R71 WeakPolarHBondContact O-CB 3.45Å; H67-R71 PolarHBondContact O-N 3.27Å; H67-R71 VanDerWaalsContact O-N 3.17Å
68	L	57.4	Low	65.1	Low	97 Å²	97	109.2 Å²	109.2	51%	0.508	54%	0.543	S	S	.	.	H	α-helix	trans	-80.1	-41	167.3	-157.2	82.3	0	0	0	108.7	L65 A66 R71 L72	L65-L68 HydrophobicContact CB-CB 3.71Å; L65-L68 HydrophobicContact CD2-CB 3.93Å; L65-L68 HydrophobicContact CD2-CD1 4.09Å; L65-L68 HydrophobicContact CG-CB 4.34Å; L65-L68 WeakPolarHBondContact O-CA 3.5Å; L65-L68 WeakPolarHBondContact O-CB 3.32Å; L65-L68 PolarHBondContact O-N 2.97Å; A66-L68 PolarHBondContact O-N 2.99Å; L68-R71 CarbonylContact O-C 3.56Å; L68-R71 PolarHBondContact O-N 3.26Å; L68-L72 WeakPolarHBondContact O-CA 3.47Å; L68-L72 WeakPolarHBondContact O-CB 3.33Å; L68-L72 PolarHBondContact O-N 2.78Å
69	N	73.9	Confident	67.3	Low	110 Å²	110	105.5 Å²	105.5	59%	0.588	54%	0.536	S	S	*	.	H	α-helix	trans	-65.1	-37.9	176.7	-146.7	6.5	0	0	0	111.9	L65 A66 L72 A73	L65-N69 PolarHBondContact O-N 3.02Å; L65-N69 VanDerWaalsContact O-N 3.13Å; A66-N69 CarbonylContact O-C 3.48Å; A66-N69 VanDerWaalsContact O-CA 3.31Å; A66-N69 WeakPolarHBondContact O-CA 3.35Å; A66-N69 VanDerWaalsContact O-CB 3.26Å; A66-N69 WeakPolarHBondContact O-CB 3.5Å; A66-N69 PolarHBondContact O-N 3.19Å; N69-L72 PolarHBondContact O-N 3.2Å; N69-A73 VanDerWaalsContact O-CB 3.24Å; N69-A73 WeakPolarHBondContact O-CB 3.44Å; N69-A73 PolarHBondContact O-N 2.92Å
70	D	71.7	Confident	69.3	Low	119 Å²	119	109.8 Å²	109.8	64%	0.636	54%	0.543	S	S	*	.	H	α-helix	trans	-69.7	-39	171.2	-69.3	-33.7	0	0	0	111.9	A66 L72 G74	A66-D70 PolarHBondContact O-N 3.01Å; D70-L72 VanDerWaalsContact C-N 3.31Å; D70-G74 PolarHBondContact O-N 3.29Å
71	R	73.9	Confident	71.1	Confident	144 Å²	144	108.2 Å²	108.2	54%	0.543	53%	0.534	S	S	.	.	H	α-helix	trans	-70	-30	174.4	-172.8	177.2	-173.4	-179.5	1.9	111.9	H67 L68 Y75	H67-R71 WeakPolarHBondContact O-CB 3.45Å; H67-R71 PolarHBondContact O-N 3.27Å; H67-R71 VanDerWaalsContact O-N 3.17Å; L68-R71 CarbonylContact O-C 3.56Å; L68-R71 PolarHBondContact O-N 3.26Å; R71-Y75 HydrophobicContact CG-CD2 4.39Å; R71-Y75 HydrophobicContact CG-CE2 4.04Å; R71-Y75 WeakPolarHBondContact O-CD2 3.43Å; R71-Y75 PolarHBondContact O-N 3.37Å
72	L	75.2	Confident	72.6	Confident	88 Å²	88	104.8 Å²	104.8	46%	0.461	52%	0.52	S	S	.	.	H	α-helix	trans	-80.7	-36.9	176.7	-170.5	73.5	0	0	0	110.8	L68 N69 D70 G74 Y75 I76	L68-L72 WeakPolarHBondContact O-CA 3.47Å; L68-L72 WeakPolarHBondContact O-CB 3.33Å; L68-L72 PolarHBondContact O-N 2.78Å; N69-L72 PolarHBondContact O-N 3.2Å; D70-L72 VanDerWaalsContact C-N 3.31Å; L72-G74 VanDerWaalsContact C-N 3.33Å; L72-Y75 CarbonylContact O-C 3.59Å; L72-Y75 PolarHBondContact O-N 3.34Å; L72-I76 HydrophobicContact CG-CD1 4.28Å; L72-I76 WeakPolarHBondContact O-CB 3.04Å; L72-I76 WeakPolarHBondContact O-CD1 3.23Å; L72-I76 WeakPolarHBondContact O-CG1 3.46Å; L72-I76 PolarHBondContact O-N 2.9Å
73	A	74.2	Confident	74.2	Confident	42 Å²	42	102.4 Å²	102.4	35%	0.347	51%	0.511	S	S	.	.	H	α-helix	trans	-61.7	-43.7	166	0	0	0	0	0	110.2	N69 Y75 I76 D77	N69-A73 VanDerWaalsContact O-CB 3.24Å; N69-A73 WeakPolarHBondContact O-CB 3.44Å; N69-A73 PolarHBondContact O-N 2.92Å; A73-Y75 VanDerWaalsContact C-N 3.32Å; A73-Y75 PolarHBondContact O-N 2.85Å; A73-I76 PolarHBondContact O-N 2.97Å; A73-I76 VanDerWaalsContact O-N 3.1Å; A73-D77 PolarHBondContact O-N 2.89Å
74	G	77.4	Confident	76	Confident	41 Å²	41	101.1 Å²	101.1	42%	0.423	50%	0.504	S	S	.	.	H	α-helix	trans	-56.7	-41.7	169	0	0	0	0	0	112.9	D70 L72 Y78	D70-G74 PolarHBondContact O-N 3.29Å; L72-G74 VanDerWaalsContact C-N 3.33Å; G74-Y78 WeakPolarHBondContact O-CB 3.37Å; G74-Y78 PolarHBondContact O-N 3.48Å
75	Y	80.3	Confident	78	Confident	127 Å²	127	98.3 Å²	98.3	50%	0.498	49%	0.493	S	S	.	.	H	α-helix	trans	-68.8	-37.1	171.5	-75.9	-54.2	0	0	0	113.1	R71 L72 A73 Y78 V79	R71-Y75 HydrophobicContact CG-CD2 4.39Å; R71-Y75 HydrophobicContact CG-CE2 4.04Å; R71-Y75 WeakPolarHBondContact O-CD2 3.43Å; R71-Y75 PolarHBondContact O-N 3.37Å; L72-Y75 CarbonylContact O-C 3.59Å; L72-Y75 PolarHBondContact O-N 3.34Å; A73-Y75 VanDerWaalsContact C-N 3.32Å; A73-Y75 PolarHBondContact O-N 2.85Å; Y75-Y78 PolarHBondContact O-N 3.48Å; Y75-V79 WeakPolarHBondContact O-CB 3.25Å; Y75-V79 WeakPolarHBondContact O-CG2 3.49Å; Y75-V79 PolarHBondContact O-N 2.87Å
76	I	82.4	Confident	79.6	Confident	85 Å²	85	101.6 Å²	101.6	44%	0.436	50%	0.504	S	S	.	.	H	α-helix	trans	-66.5	-42.3	178.1	-74.1	160.2	0	0	0	110.3	L72 A73 R80	L72-I76 HydrophobicContact CG-CD1 4.28Å; L72-I76 WeakPolarHBondContact O-CB 3.04Å; L72-I76 WeakPolarHBondContact O-CD1 3.23Å; L72-I76 WeakPolarHBondContact O-CG1 3.46Å; L72-I76 PolarHBondContact O-N 2.9Å; A73-I76 PolarHBondContact O-N 2.97Å; A73-I76 VanDerWaalsContact O-N 3.1Å; I76-R80 VanDerWaalsContact O-CB 3.3Å; I76-R80 WeakPolarHBondContact O-CB 3.26Å; I76-R80 VanDerWaalsContact O-CG 3.3Å; I76-R80 WeakPolarHBondContact O-CG 3.48Å; I76-R80 PolarHBondContact O-N 3.31Å
77	D	84.5	Confident	80.9	Confident	97 Å²	97	103.7 Å²	103.7	52%	0.519	51%	0.505	S	S	.	.	H	α-helix	trans	-74.9	-33	176	-77.5	-20.7	0	0	0	112.1	A73 R80 K81	A73-D77 PolarHBondContact O-N 2.89Å; D77-R80 IonicContact OD1-NH1 2.69Å; D77-K81 WeakPolarHBondContact O-CB 3.46Å; D77-K81 PolarHBondContact O-N 2.89Å
78	Y	83.8	Confident	82.4	Confident	141 Å²	141	104.4 Å²	104.4	55%	0.553	51%	0.507	S	S	*	.	H	α-helix	trans	-69.5	-38.2	171.7	-170.3	-111.7	0	0	0	112.3	G74 Y75 K81 L82	G74-Y78 WeakPolarHBondContact O-CB 3.37Å; G74-Y78 PolarHBondContact O-N 3.48Å; Y75-Y78 PolarHBondContact O-N 3.48Å; Y78-K81 PolarHBondContact O-N 3.41Å; Y78-L82 HydrophobicContact CD1-CD1 3.75Å; Y78-L82 HydrophobicContact CE1-CD1 3.45Å; Y78-L82 VanDerWaalsContact CE1-CD1 3.45Å; Y78-L82 HydrophobicContact CE1-CG 4.24Å; Y78-L82 WeakPolarHBondContact O-CB 3.38Å; Y78-L82 WeakPolarHBondContact O-CG 3.46Å; Y78-L82 PolarHBondContact O-N 3.1Å
79	V	87.2	Confident	83.8	Confident	71 Å²	71	105.1 Å²	105.1	43%	0.43	51%	0.511	S	S	.	.	H	α-helix	trans	-65.8	-49.2	171.7	166.2	0	0	0	0	109.9	Y75 K81 L82 E83	Y75-V79 WeakPolarHBondContact O-CB 3.25Å; Y75-V79 WeakPolarHBondContact O-CG2 3.49Å; Y75-V79 PolarHBondContact O-N 2.87Å; V79-K81 VanDerWaalsContact C-N 3.26Å; V79-K81 PolarHBondContact O-N 3.25Å; V79-L82 CarbonylContact O-C 3.55Å; V79-L82 PolarHBondContact O-N 2.9Å; V79-L82 VanDerWaalsContact O-N 3.11Å; V79-E83 HydrophobicContact CG1-CG 4.17Å; V79-E83 WeakPolarHBondContact O-CB 3.39Å; V79-E83 WeakPolarHBondContact O-CG 3.35Å; V79-E83 PolarHBondContact O-N 2.97Å
80	R	86.6	Confident	84.5	Confident	152 Å²	152	103 Å²	103	57%	0.574	50%	0.502	S	S	*	.	H	α-helix	trans	-55.7	-40.5	173.7	-83.8	173.3	158.4	175.9	-4.5	112.5	I76 D77 E83 L84	I76-R80 VanDerWaalsContact O-CB 3.3Å; I76-R80 WeakPolarHBondContact O-CB 3.26Å; I76-R80 VanDerWaalsContact O-CG 3.3Å; I76-R80 WeakPolarHBondContact O-CG 3.48Å; I76-R80 PolarHBondContact O-N 3.31Å; D77-R80 IonicContact OD1-NH1 2.69Å; R80-E83 PolarHBondContact O-N 2.65Å; R80-L84 WeakPolarHBondContact O-CB 3.4Å; R80-L84 WeakPolarHBondContact O-CG 3.44Å; R80-L84 PolarHBondContact O-N 2.96Å
81	K	90.4	Very high	85.3	Confident	129 Å²	129	104.1 Å²	104.1	56%	0.561	50%	0.497	S	S	*	.	H	α-helix	trans	-66	-47	176	-171.9	176.2	-179.3	-177.2	0	111.1	D77 Y78 V79 E83 L84 D85	D77-K81 WeakPolarHBondContact O-CB 3.46Å; D77-K81 PolarHBondContact O-N 2.89Å; Y78-K81 PolarHBondContact O-N 3.41Å; V79-K81 VanDerWaalsContact C-N 3.26Å; V79-K81 PolarHBondContact O-N 3.25Å; K81-E83 VanDerWaalsContact C-N 3.31Å; K81-E83 PolarHBondContact O-N 3.4Å; K81-L84 PolarHBondContact O-N 3.24Å; K81-D85 WeakPolarHBondContact O-CB 3.5Å; K81-D85 PolarHBondContact O-N 2.86Å
82	L	86.9	Confident	86.1	Confident	91 Å²	91	104 Å²	104	48%	0.476	50%	0.497	S	S	.	.	H	α-helix	trans	-62	-34.2	173.4	-80.7	170.1	0	0	0	112.9	Y78 V79 K86	Y78-L82 HydrophobicContact CD1-CD1 3.75Å; Y78-L82 HydrophobicContact CE1-CD1 3.45Å; Y78-L82 VanDerWaalsContact CE1-CD1 3.45Å; Y78-L82 HydrophobicContact CE1-CG 4.24Å; Y78-L82 WeakPolarHBondContact O-CB 3.38Å; Y78-L82 WeakPolarHBondContact O-CG 3.46Å; Y78-L82 PolarHBondContact O-N 3.1Å; V79-L82 CarbonylContact O-C 3.55Å; V79-L82 PolarHBondContact O-N 2.9Å; V79-L82 VanDerWaalsContact O-N 3.11Å; L82-K86 WeakPolarHBondContact O-CA 3.29Å; L82-K86 WeakPolarHBondContact O-CB 3.38Å; L82-K86 PolarHBondContact O-N 3.49Å
83	E	89.5	Confident	86.8	Confident	107 Å²	107	105 Å²	105	50%	0.5	50%	0.501	S	S	.	.	H	α-helix	trans	-72.6	-42.2	176.1	-75.3	-176.5	135.8	0	0	111.8	V79 R80 K81 K86 Q87	V79-E83 HydrophobicContact CG1-CG 4.17Å; V79-E83 WeakPolarHBondContact O-CB 3.39Å; V79-E83 WeakPolarHBondContact O-CG 3.35Å; V79-E83 PolarHBondContact O-N 2.97Å; R80-E83 PolarHBondContact O-N 2.65Å; K81-E83 VanDerWaalsContact C-N 3.31Å; K81-E83 PolarHBondContact O-N 3.4Å; E83-K86 PolarHBondContact O-N 2.93Å; E83-Q87 WeakPolarHBondContact O-CB 3.43Å; E83-Q87 VanDerWaalsContact O-CG 3.31Å; E83-Q87 WeakPolarHBondContact O-CG 3.33Å; E83-Q87 PolarHBondContact O-N 3.44Å
84	L	91.3	Very high	87.6	Confident	111 Å²	111	107.7 Å²	107.7	58%	0.581	51%	0.506	S	S	*	.	H	α-helix	trans	-65.8	-45.5	173.9	-77.7	168.6	0	0	0	111.5	R80 K81 Q87 K88	R80-L84 WeakPolarHBondContact O-CB 3.4Å; R80-L84 WeakPolarHBondContact O-CG 3.44Å; R80-L84 PolarHBondContact O-N 2.96Å; K81-L84 PolarHBondContact O-N 3.24Å; L84-Q87 PolarHBondContact O-N 3.36Å; L84-K88 WeakPolarHBondContact O-CB 3.38Å; L84-K88 PolarHBondContact O-N 2.78Å
85	D	91.5	Very high	88.2	Confident	64 Å²	64	108.5 Å²	108.5	34%	0.342	50%	0.504	S	S	.	.	H	α-helix	trans	-67.8	-37.4	175.9	-76.9	-35.5	0	0	0	111.1	K81 K88 L89	K81-D85 WeakPolarHBondContact O-CB 3.5Å; K81-D85 PolarHBondContact O-N 2.86Å; D85-K88 PolarHBondContact O-N 3.35Å; D85-L89 VanDerWaalsContact O-CB 3.28Å; D85-L89 WeakPolarHBondContact O-CB 3.45Å; D85-L89 WeakPolarHBondContact O-CG 3.26Å; D85-L89 PolarHBondContact O-N 2.98Å
86	K	88.4	Confident	88.7	Confident	145 Å²	145	105.6 Å²	105.6	63%	0.63	50%	0.499	S	S	*	.	H	α-helix	trans	-60.3	-51.6	169.8	176.3	178.9	175.6	-177.9	0	111.2	L82 E83 K88 L89 T90	L82-K86 WeakPolarHBondContact O-CA 3.29Å; L82-K86 WeakPolarHBondContact O-CB 3.38Å; L82-K86 PolarHBondContact O-N 3.49Å; E83-K86 PolarHBondContact O-N 2.93Å; K86-K88 VanDerWaalsContact C-N 3.29Å; K86-K88 PolarHBondContact O-N 3.28Å; K86-L89 PolarHBondContact O-N 3.01Å; K86-T90 WeakPolarHBondContact O-CB 3.24Å; K86-T90 PolarHBondContact O-N 2.85Å; K86-T90 PolarHBondContact O-OG1 2.89Å
87	Q	91.7	Very high	89	Confident	93 Å²	93	104.8 Å²	104.8	44%	0.435	50%	0.498	S	S	.	.	H	α-helix	trans	-60.5	-39.2	177.1	-75.2	-174.5	19.3	0	0	112	E83 L84 T90 R91	E83-Q87 WeakPolarHBondContact O-CB 3.43Å; E83-Q87 VanDerWaalsContact O-CG 3.31Å; E83-Q87 WeakPolarHBondContact O-CG 3.33Å; E83-Q87 PolarHBondContact O-N 3.44Å; L84-Q87 PolarHBondContact O-N 3.36Å; Q87-T90 PolarHBondContact O-N 2.89Å; Q87-R91 WeakPolarHBondContact O-CB 3.5Å; Q87-R91 VanDerWaalsContact O-CG 3.28Å; Q87-R91 WeakPolarHBondContact O-CG 3.49Å; Q87-R91 PolarHBondContact O-N 3.22Å
88	K	91.8	Very high	89.3	Confident	139 Å²	139	105.2 Å²	105.2	60%	0.604	50%	0.497	S	S	*	.	H	α-helix	trans	-66.6	-42.3	177.6	-175.8	-179.4	177.7	-174.1	0	111.6	L84 D85 K86 R92	L84-K88 WeakPolarHBondContact O-CB 3.38Å; L84-K88 PolarHBondContact O-N 2.78Å; D85-K88 PolarHBondContact O-N 3.35Å; K86-K88 VanDerWaalsContact C-N 3.29Å; K86-K88 PolarHBondContact O-N 3.28Å; K88-R92 VanDerWaalsContact O-CB 3.31Å; K88-R92 WeakPolarHBondContact O-CB 3.46Å; K88-R92 PolarHBondContact O-N 2.87Å
89	L	86.4	Confident	89.6	Confident	112 Å²	112	102.6 Å²	102.6	59%	0.586	49%	0.489	S	S	*	.	H	α-helix	trans	-66.1	-43.6	173.2	-73.1	167.9	0	0	0	111.4	D85 K86 R92 I93	D85-L89 VanDerWaalsContact O-CB 3.28Å; D85-L89 WeakPolarHBondContact O-CB 3.45Å; D85-L89 WeakPolarHBondContact O-CG 3.26Å; D85-L89 PolarHBondContact O-N 2.98Å; K86-L89 PolarHBondContact O-N 3.01Å; L89-R92 PolarHBondContact O-N 3.13Å; L89-I93 WeakPolarHBondContact O-CB 3.38Å; L89-I93 VanDerWaalsContact O-CG1 3.25Å; L89-I93 WeakPolarHBondContact O-CG1 3.21Å; L89-I93 PolarHBondContact O-N 2.66Å
90	T	90.2	Very high	89.8	Confident	65 Å²	65	108 Å²	108	40%	0.399	50%	0.502	S	S	.	.	H	α-helix	trans	-60.5	-49.1	175	-60.3	0	0	0	0	111.5	K86 Q87 R92 I93 Q94	K86-T90 WeakPolarHBondContact O-CB 3.24Å; K86-T90 PolarHBondContact O-N 2.85Å; K86-T90 PolarHBondContact O-OG1 2.89Å; Q87-T90 PolarHBondContact O-N 2.89Å; T90-R92 VanDerWaalsContact C-N 3.29Å; T90-R92 PolarHBondContact O-N 3.2Å; T90-I93 PolarHBondContact O-N 3.5Å; T90-Q94 PolarHBondContact O-N 3.11Å
91	R	87.4	Confident	90	Very high	143 Å²	143	107.4 Å²	107.4	54%	0.54	51%	0.507	S	S	.	.	H	α-helix	trans	-60.3	-37.4	174.7	-71.9	177.4	-168.5	112	7.3	112.3	Q87 T95	Q87-R91 WeakPolarHBondContact O-CB 3.5Å; Q87-R91 VanDerWaalsContact O-CG 3.28Å; Q87-R91 WeakPolarHBondContact O-CG 3.49Å; Q87-R91 PolarHBondContact O-N 3.22Å; R91-T95 PolarHBondContact O-N 2.94Å; R91-T95 PolarHBondContact O-OG1 3.45Å
92	R	90.9	Very high	89.9	Confident	142 Å²	142	104.1 Å²	104.1	54%	0.536	50%	0.501	S	S	.	.	H	α-helix	trans	-73.4	-35.7	178	-172.1	53.6	176.8	155.4	-1.4	112.5	K88 L89 T90 T95 V96 E99	K88-R92 VanDerWaalsContact O-CB 3.31Å; K88-R92 WeakPolarHBondContact O-CB 3.46Å; K88-R92 PolarHBondContact O-N 2.87Å; L89-R92 PolarHBondContact O-N 3.13Å; T90-R92 VanDerWaalsContact C-N 3.29Å; T90-R92 PolarHBondContact O-N 3.2Å; R92-T95 WeakPolarHBondContact CA-OG1 3.42Å; R92-T95 PolarHBondContact O-OG1 2.9Å; R92-V96 HydrophobicContact CG-CG2 4.45Å; R92-V96 VanDerWaalsContact CZ-CG2 3.49Å; R92-V96 VanDerWaalsContact O-CB 3.31Å; R92-V96 WeakPolarHBondContact O-CB 3.49Å; R92-V96 WeakPolarHBondContact O-CG2 3.36Å; R92-V96 PolarHBondContact O-N 2.93Å; R92-E99 IonicContact NH1-OE1 3.72Å
93	I	90.2	Very high	90	Very high	109 Å²	109	105.5 Å²	105.5	56%	0.559	50%	0.503	S	S	*	.	H	α-helix	trans	-64.1	-51.3	171.8	-71.3	163.9	0	0	0	109.1	L89 T90 T95 V96 T97	L89-I93 WeakPolarHBondContact O-CB 3.38Å; L89-I93 VanDerWaalsContact O-CG1 3.25Å; L89-I93 WeakPolarHBondContact O-CG1 3.21Å; L89-I93 PolarHBondContact O-N 2.66Å; T90-I93 PolarHBondContact O-N 3.5Å; I93-T95 PolarHBondContact O-N 3.44Å; I93-V96 PolarHBondContact O-N 3.35Å; I93-T97 HydrophobicContact CG2-CG2 4.38Å; I93-T97 PolarHBondContact O-N 3.43Å; I93-T97 PolarHBondContact O-OG1 2.88Å
94	Q	91.2	Very high	90.2	Very high	97 Å²	97	104.4 Å²	104.4	45%	0.453	50%	0.503	S	S	.	.	H	α-helix	trans	-53.6	-57.1	177.4	-78.9	-174.5	-91	0	0	112.1	T90 V96 T97 E98	T90-Q94 PolarHBondContact O-N 3.11Å; Q94-V96 VanDerWaalsContact C-N 3.31Å; Q94-V96 PolarHBondContact O-N 2.9Å; Q94-T97 WeakPolarHBondContact CA-OG1 3.36Å; Q94-T97 CarbonylContact O-C 3.45Å; Q94-T97 PolarHBondContact O-N 2.98Å; Q94-T97 PolarHBondContact O-OG1 2.9Å; Q94-E98 WeakPolarHBondContact O-CB 3.47Å; Q94-E98 VanDerWaalsContact O-CG 3.27Å; Q94-E98 WeakPolarHBondContact O-CG 3.4Å; Q94-E98 PolarHBondContact O-N 3.26Å
95	T	88.8	Confident	90.3	Very high	59 Å²	59	104.4 Å²	104.4	36%	0.362	50%	0.501	S	S	.	.	H	α-helix	trans	-58.8	-39.5	179.3	43.9	0	0	0	0	112.8	R91 R92 I93 E99	R91-T95 PolarHBondContact O-N 2.94Å; R91-T95 PolarHBondContact O-OG1 3.45Å; R92-T95 WeakPolarHBondContact CA-OG1 3.42Å; R92-T95 PolarHBondContact O-OG1 2.9Å; I93-T95 PolarHBondContact O-N 3.44Å; T95-E99 VanDerWaalsContact O-CB 3.27Å; T95-E99 WeakPolarHBondContact O-CB 3.48Å; T95-E99 VanDerWaalsContact O-CG 3.3Å; T95-E99 WeakPolarHBondContact O-CG 3.46Å; T95-E99 PolarHBondContact O-N 3.49Å
96	V	90.5	Very high	90.2	Very high	66 Å²	66	106.7 Å²	106.7	40%	0.4	51%	0.509	S	S	.	.	H	α-helix	trans	-69.4	-35.8	175.8	171.2	0	0	0	0	112.1	R92 I93 Q94 R100	R92-V96 HydrophobicContact CG-CG2 4.45Å; R92-V96 VanDerWaalsContact CZ-CG2 3.49Å; R92-V96 VanDerWaalsContact O-CB 3.31Å; R92-V96 WeakPolarHBondContact O-CB 3.49Å; R92-V96 WeakPolarHBondContact O-CG2 3.36Å; R92-V96 PolarHBondContact O-N 2.93Å; I93-V96 PolarHBondContact O-N 3.35Å; Q94-V96 VanDerWaalsContact C-N 3.31Å; Q94-V96 PolarHBondContact O-N 2.9Å; V96-R100 WeakPolarHBondContact O-CB 3.4Å; V96-R100 PolarHBondContact O-N 3.01Å
97	T	90.2	Very high	90.4	Very high	68 Å²	68	101.6 Å²	101.6	42%	0.417	49%	0.494	S	S	.	.	H	α-helix	trans	-70.8	-39.7	174.3	47.8	0	0	0	0	112.4	I93 Q94 R100 M101	I93-T97 HydrophobicContact CG2-CG2 4.38Å; I93-T97 PolarHBondContact O-N 3.43Å; I93-T97 PolarHBondContact O-OG1 2.88Å; Q94-T97 WeakPolarHBondContact CA-OG1 3.36Å; Q94-T97 CarbonylContact O-C 3.45Å; Q94-T97 PolarHBondContact O-N 2.98Å; Q94-T97 PolarHBondContact O-OG1 2.9Å; T97-R100 PolarHBondContact O-N 3.35Å; T97-M101 VanDerWaalsContact O-CB 3.31Å; T97-M101 WeakPolarHBondContact O-CB 3.26Å; T97-M101 VanDerWaalsContact O-CG 3.27Å; T97-M101 WeakPolarHBondContact O-CG 3.33Å; T97-M101 PolarHBondContact O-N 3.3Å
98	E	90.1	Very high	90.4	Very high	106 Å²	106	104 Å²	104	50%	0.495	50%	0.499	S	S	.	.	H	α-helix	trans	-67.1	-47.6	177.4	-71.9	158.4	-171.3	0	0	110.6	Q94 R100 M101 S102	Q94-E98 WeakPolarHBondContact O-CB 3.47Å; Q94-E98 VanDerWaalsContact O-CG 3.27Å; Q94-E98 WeakPolarHBondContact O-CG 3.4Å; Q94-E98 PolarHBondContact O-N 3.26Å; E98-R100 VanDerWaalsContact C-N 3.32Å; E98-R100 PolarHBondContact O-N 3.36Å; E98-M101 PolarHBondContact O-N 3.47Å; E98-S102 WeakPolarHBondContact O-CB 3.5Å; E98-S102 PolarHBondContact O-N 3.42Å
99	E	90.6	Very high	90.6	Very high	85 Å²	85	103.4 Å²	103.4	40%	0.397	50%	0.497	S	S	.	.	H	α-helix	trans	-56.3	-45	171.4	-81.3	-172.4	-122.3	0	0	111.9	R92 T95 K103	R92-E99 IonicContact NH1-OE1 3.72Å; T95-E99 VanDerWaalsContact O-CB 3.27Å; T95-E99 WeakPolarHBondContact O-CB 3.48Å; T95-E99 VanDerWaalsContact O-CG 3.3Å; T95-E99 WeakPolarHBondContact O-CG 3.46Å; T95-E99 PolarHBondContact O-N 3.49Å; E99-K103 WeakPolarHBondContact O-CB 3.36Å; E99-K103 WeakPolarHBondContact O-CD 3.39Å; E99-K103 VanDerWaalsContact O-CG 3.24Å; E99-K103 WeakPolarHBondContact O-CG 3.39Å; E99-K103 PolarHBondContact O-N 2.98Å; E99-K103 IonicContact OE2-NZ 3.71Å; E99-K103 PolarHBondContact OE2-NZ 2.9Å
100	R	90.7	Very high	90.9	Very high	186 Å²	186	101.5 Å²	101.5	70%	0.702	49%	0.489	S	S	*	.	H	α-helix	trans	-73.3	-32.1	-177.7	-157.1	-178.4	87	171.5	7.6	111.9	V96 T97 E98 V104	V96-R100 WeakPolarHBondContact O-CB 3.4Å; V96-R100 PolarHBondContact O-N 3.01Å; T97-R100 PolarHBondContact O-N 3.35Å; E98-R100 VanDerWaalsContact C-N 3.32Å; E98-R100 PolarHBondContact O-N 3.36Å; R100-V104 VanDerWaalsContact O-CB 3.32Å; R100-V104 WeakPolarHBondContact O-CB 3.5Å; R100-V104 WeakPolarHBondContact O-CG2 3.48Å; R100-V104 PolarHBondContact O-N 3.17Å
101	M	91	Very high	90.9	Very high	138 Å²	138	105.4 Å²	105.4	68%	0.68	50%	0.498	S	S	*	.	H	α-helix	trans	-68.5	-46.7	171.5	-77.9	177.3	62.1	0	0	111	T97 E98 K103 V104 E105	T97-M101 VanDerWaalsContact O-CB 3.31Å; T97-M101 WeakPolarHBondContact O-CB 3.26Å; T97-M101 VanDerWaalsContact O-CG 3.27Å; T97-M101 WeakPolarHBondContact O-CG 3.33Å; T97-M101 PolarHBondContact O-N 3.3Å; E98-M101 PolarHBondContact O-N 3.47Å; M101-K103 PolarHBondContact O-N 2.88Å; M101-V104 PolarHBondContact O-N 2.87Å; M101-E105 WeakPolarHBondContact O-CB 3.32Å; M101-E105 PolarHBondContact O-N 3.49Å
102	S	87.6	Confident	91.3	Very high	60 Å²	60	103.5 Å²	103.5	42%	0.42	50%	0.495	S	S	.	.	H	α-helix	trans	-57.1	-48.7	176.2	-159.7	0	0	0	0	111.3	E98 V104 E105 E106	E98-S102 WeakPolarHBondContact O-CB 3.5Å; E98-S102 PolarHBondContact O-N 3.42Å; S102-V104 VanDerWaalsContact C-N 3.33Å; S102-V104 PolarHBondContact O-N 2.76Å; S102-E105 PolarHBondContact O-N 3.19Å; S102-E106 VanDerWaalsContact O-CB 3.31Å; S102-E106 WeakPolarHBondContact O-CB 3.38Å; S102-E106 WeakPolarHBondContact O-CG 3.35Å; S102-E106 PolarHBondContact O-N 3.16Å; S102-E106 PolarHBondContact OG-OE1 2.94Å
103	K	90.8	Very high	91.5	Very high	120 Å²	120	100.8 Å²	100.8	52%	0.522	49%	0.491	S	S	.	.	H	α-helix	trans	-65.4	-32.8	178.7	-69.7	162.1	-173.5	165.2	0	113.2	E99 M101 A107	E99-K103 WeakPolarHBondContact O-CB 3.36Å; E99-K103 WeakPolarHBondContact O-CD 3.39Å; E99-K103 VanDerWaalsContact O-CG 3.24Å; E99-K103 WeakPolarHBondContact O-CG 3.39Å; E99-K103 PolarHBondContact O-N 2.98Å; E99-K103 IonicContact OE2-NZ 3.71Å; E99-K103 PolarHBondContact OE2-NZ 2.9Å; M101-K103 PolarHBondContact O-N 2.88Å; K103-A107 WeakPolarHBondContact O-CB 3.23Å; K103-A107 PolarHBondContact O-N 2.84Å
104	V	93.6	Very high	91.7	Very high	84 Å²	84	100.8 Å²	100.8	51%	0.509	49%	0.489	S	S	.	.	H	α-helix	trans	-71.7	-41.5	173.2	164.2	0	0	0	0	110.9	R100 M101 S102 A107 R108	R100-V104 VanDerWaalsContact O-CB 3.32Å; R100-V104 WeakPolarHBondContact O-CB 3.5Å; R100-V104 WeakPolarHBondContact O-CG2 3.48Å; R100-V104 PolarHBondContact O-N 3.17Å; M101-V104 PolarHBondContact O-N 2.87Å; S102-V104 VanDerWaalsContact C-N 3.33Å; S102-V104 PolarHBondContact O-N 2.76Å; V104-A107 PolarHBondContact O-N 2.92Å; V104-R108 WeakPolarHBondContact O-CB 3.36Å; V104-R108 PolarHBondContact O-N 2.73Å
105	E	92	Very high	91.8	Very high	112 Å²	112	99.9 Å²	99.9	52%	0.523	49%	0.486	S	S	.	.	H	α-helix	trans	-72.8	-38.9	-178.4	-164.3	62.4	-164.8	0	0	112.1	M101 S102 R108 K109	M101-E105 WeakPolarHBondContact O-CB 3.32Å; M101-E105 PolarHBondContact O-N 3.49Å; S102-E105 PolarHBondContact O-N 3.19Å; E105-R108 WeakPolarHBondContact O-CB 3.05Å; E105-R108 PolarHBondContact O-N 3.1Å; E105-K109 VanDerWaalsContact O-CB 3.27Å; E105-K109 WeakPolarHBondContact O-CB 3.27Å; E105-K109 PolarHBondContact O-N 2.64Å
106	E	90.7	Very high	92.1	Very high	111 Å²	111	99.6 Å²	99.6	52%	0.519	49%	0.485	S	S	.	.	H	α-helix	trans	-56.3	-50.3	169.1	-75.7	157.7	-147.7	0	0	110.7	S102 K109 T110	S102-E106 VanDerWaalsContact O-CB 3.31Å; S102-E106 WeakPolarHBondContact O-CB 3.38Å; S102-E106 WeakPolarHBondContact O-CG 3.35Å; S102-E106 PolarHBondContact O-N 3.16Å; S102-E106 PolarHBondContact OG-OE1 2.94Å; E106-K109 PolarHBondContact O-N 3.29Å; E106-T110 PolarHBondContact O-N 3.45Å; E106-T110 PolarHBondContact O-OG1 2.92Å
107	A	91.3	Very high	92.2	Very high	38 Å²	38	99.1 Å²	99.1	31%	0.314	49%	0.488	S	S	.	.	H	α-helix	trans	-65.7	-39.3	177.2	0	0	0	0	0	112.5	K103 V104 K109 T110 Y111	K103-A107 WeakPolarHBondContact O-CB 3.23Å; K103-A107 PolarHBondContact O-N 2.84Å; V104-A107 PolarHBondContact O-N 2.92Å; A107-K109 VanDerWaalsContact C-N 3.32Å; A107-K109 PolarHBondContact O-N 3.37Å; A107-T110 WeakPolarHBondContact CA-OG1 3.25Å; A107-T110 PolarHBondContact O-N 3.31Å; A107-T110 PolarHBondContact O-OG1 2.87Å; A107-T110 VanDerWaalsContact O-OG1 3.04Å; A107-Y111 HydrophobicContact CB-CE2 4.43Å; A107-Y111 WeakPolarHBondContact O-CD2 3.09Å; A107-Y111 PolarHBondContact O-N 3.35Å
108	R	93	Very high	92.4	Very high	143 Å²	143	100.9 Å²	100.9	54%	0.54	49%	0.494	S	S	.	.	H	α-helix	trans	-57.7	-48.8	173.8	-128.2	173	168.9	-80.1	-7.6	110.2	V104 E105 Y111 E112	V104-R108 WeakPolarHBondContact O-CB 3.36Å; V104-R108 PolarHBondContact O-N 2.73Å; E105-R108 WeakPolarHBondContact O-CB 3.05Å; E105-R108 PolarHBondContact O-N 3.1Å; R108-Y111 PolarHBondContact O-N 3.04Å; R108-E112 IonicContact NH1-OE2 2.74Å; R108-E112 WeakPolarHBondContact O-CB 3.29Å; R108-E112 PolarHBondContact O-N 3.2Å
109	K	94.5	Very high	92.6	Very high	128 Å²	128	103 Å²	103	56%	0.557	50%	0.497	S	S	*	.	H	α-helix	trans	-63.8	-47.1	179.7	-172.7	-174.9	173.7	-170.9	0	111.5	E105 E106 A107 Y111 E112 D113	E105-K109 VanDerWaalsContact O-CB 3.27Å; E105-K109 WeakPolarHBondContact O-CB 3.27Å; E105-K109 PolarHBondContact O-N 2.64Å; E106-K109 PolarHBondContact O-N 3.29Å; A107-K109 VanDerWaalsContact C-N 3.32Å; A107-K109 PolarHBondContact O-N 3.37Å; K109-Y111 VanDerWaalsContact C-N 3.31Å; K109-Y111 PolarHBondContact O-N 2.87Å; K109-E112 PolarHBondContact O-N 3.46Å; K109-E112 VanDerWaalsContact O-N 3.13Å; K109-D113 WeakPolarHBondContact CE-OD2 3.35Å; K109-D113 WeakPolarHBondContact O-CB 3.37Å; K109-D113 VanDerWaalsContact O-CG 3.29Å; K109-D113 PolarHBondContact O-N 2.92Å
110	T	93.2	Very high	92.8	Very high	71 Å²	71	103.6 Å²	103.6	44%	0.436	50%	0.503	S	S	.	.	H	α-helix	trans	-61.5	-39.9	177.8	52.6	0	0	0	0	111.9	E106 A107 E114	E106-T110 PolarHBondContact O-N 3.45Å; E106-T110 PolarHBondContact O-OG1 2.92Å; A107-T110 WeakPolarHBondContact CA-OG1 3.25Å; A107-T110 PolarHBondContact O-N 3.31Å; A107-T110 PolarHBondContact O-OG1 2.87Å; A107-T110 VanDerWaalsContact O-OG1 3.04Å; T110-E114 WeakPolarHBondContact O-CB 3.41Å; T110-E114 VanDerWaalsContact O-CG 3.27Å; T110-E114 WeakPolarHBondContact O-CG 3.4Å; T110-E114 PolarHBondContact O-N 2.76Å
111	Y	91.5	Very high	93	Very high	148 Å²	148	99.7 Å²	99.7	58%	0.58	50%	0.496	S	S	*	.	H	α-helix	trans	-70	-31.6	174.9	-67.2	-49	0	0	0	113.1	A107 R108 K109 I115	A107-Y111 HydrophobicContact CB-CE2 4.43Å; A107-Y111 WeakPolarHBondContact O-CD2 3.09Å; A107-Y111 PolarHBondContact O-N 3.35Å; R108-Y111 PolarHBondContact O-N 3.04Å; K109-Y111 VanDerWaalsContact C-N 3.31Å; K109-Y111 PolarHBondContact O-N 2.87Å; Y111-I115 VanDerWaalsContact O-CB 3.24Å; Y111-I115 WeakPolarHBondContact O-CB 3.43Å; Y111-I115 WeakPolarHBondContact O-CD1 3.3Å; Y111-I115 WeakPolarHBondContact O-CG1 3.37Å; Y111-I115 PolarHBondContact O-N 2.89Å
112	E	95.5	Very high	93.2	Very high	102 Å²	102	97.8 Å²	97.8	48%	0.477	49%	0.492	S	S	.	.	H	α-helix	trans	-76.4	-36.4	176.6	-166.2	129.4	-137.9	0	0	111.8	R108 K109 I115 T116	R108-E112 IonicContact NH1-OE2 2.74Å; R108-E112 WeakPolarHBondContact O-CB 3.29Å; R108-E112 PolarHBondContact O-N 3.2Å; K109-E112 PolarHBondContact O-N 3.46Å; K109-E112 VanDerWaalsContact O-N 3.13Å; E112-I115 PolarHBondContact O-N 3.32Å; E112-T116 WeakPolarHBondContact O-CB 3.5Å; E112-T116 WeakPolarHBondContact O-CG2 3.42Å; E112-T116 PolarHBondContact O-N 2.93Å; E112-T116 PolarHBondContact O-OG1 2.87Å
113	D	95	Very high	93.6	Very high	85 Å²	85	99.1 Å²	99.1	46%	0.455	49%	0.494	S	S	.	.	H	α-helix	trans	-63.7	-42.1	168.7	-71.1	-21.7	0	0	0	110.6	K109 T116 A117	K109-D113 WeakPolarHBondContact CE-OD2 3.35Å; K109-D113 WeakPolarHBondContact O-CB 3.37Å; K109-D113 VanDerWaalsContact O-CG 3.29Å; K109-D113 PolarHBondContact O-N 2.92Å; D113-T116 WeakPolarHBondContact CA-OG1 3.45Å; D113-T116 PolarHBondContact O-OG1 2.91Å; D113-T116 VanDerWaalsContact O-OG1 3.05Å; D113-A117 VanDerWaalsContact O-CB 3.26Å; D113-A117 WeakPolarHBondContact O-CB 3.24Å; D113-A117 PolarHBondContact O-N 3.39Å
114	E	94	Very high	93.8	Very high	110 Å²	110	97 Å²	97	51%	0.514	49%	0.489	S	S	.	.	H	α-helix	trans	-66.8	-44.1	173.3	-78.5	175.1	-175.3	0	0	112.6	T110 T116 A117 L118	T110-E114 WeakPolarHBondContact O-CB 3.41Å; T110-E114 VanDerWaalsContact O-CG 3.27Å; T110-E114 WeakPolarHBondContact O-CG 3.4Å; T110-E114 PolarHBondContact O-N 2.76Å; E114-T116 VanDerWaalsContact C-N 3.34Å; E114-T116 PolarHBondContact O-N 3.2Å; E114-A117 PolarHBondContact O-N 3.01Å; E114-L118 WeakPolarHBondContact O-CB 3.48Å; E114-L118 VanDerWaalsContact O-CG 3.27Å; E114-L118 WeakPolarHBondContact O-CG 3.35Å; E114-L118 PolarHBondContact O-N 2.86Å
115	I	94.4	Very high	93.8	Very high	77 Å²	77	98 Å²	98	40%	0.395	49%	0.49	S	S	.	.	H	α-helix	trans	-64.8	-38.3	177.8	-75.9	164.7	0	0	0	111	Y111 E112 R119	Y111-I115 VanDerWaalsContact O-CB 3.24Å; Y111-I115 WeakPolarHBondContact O-CB 3.43Å; Y111-I115 WeakPolarHBondContact O-CD1 3.3Å; Y111-I115 WeakPolarHBondContact O-CG1 3.37Å; Y111-I115 PolarHBondContact O-N 2.89Å; E112-I115 PolarHBondContact O-N 3.32Å; I115-R119 VanDerWaalsContact CG2-CZ 3.45Å; I115-R119 WeakPolarHBondContact O-CB 3.27Å; I115-R119 VanDerWaalsContact O-CG 3.22Å; I115-R119 WeakPolarHBondContact O-CG 3.33Å; I115-R119 PolarHBondContact O-N 3.4Å
116	T	93.9	Very high	93.9	Very high	54 Å²	54	95 Å²	95	33%	0.331	49%	0.485	S	S	.	.	H	α-helix	trans	-71.8	-39.8	175	51.2	0	0	0	0	111.9	E112 D113 E114 L118 R119 N120	E112-T116 WeakPolarHBondContact O-CB 3.5Å; E112-T116 WeakPolarHBondContact O-CG2 3.42Å; E112-T116 PolarHBondContact O-N 2.93Å; E112-T116 PolarHBondContact O-OG1 2.87Å; D113-T116 WeakPolarHBondContact CA-OG1 3.45Å; D113-T116 PolarHBondContact O-OG1 2.91Å; D113-T116 VanDerWaalsContact O-OG1 3.05Å; E114-T116 VanDerWaalsContact C-N 3.34Å; E114-T116 PolarHBondContact O-N 3.2Å; T116-L118 PolarHBondContact O-N 3.45Å; T116-R119 PolarHBondContact O-N 3.23Å; T116-N120 WeakPolarHBondContact O-CB 3.46Å; T116-N120 PolarHBondContact O-N 3.36Å; T116-N120 PolarHBondContact O-ND2 2.92Å
117	A	93.7	Very high	94.1	Very high	56 Å²	56	95.3 Å²	95.3	46%	0.463	49%	0.485	S	S	.	.	H	α-helix	trans	-60.5	-42.7	171.7	0	0	0	0	0	112.5	D113 E114 N120 L121	D113-A117 VanDerWaalsContact O-CB 3.26Å; D113-A117 WeakPolarHBondContact O-CB 3.24Å; D113-A117 PolarHBondContact O-N 3.39Å; E114-A117 PolarHBondContact O-N 3.01Å; A117-N120 PolarHBondContact O-N 3.44Å; A117-L121 WeakPolarHBondContact O-CB 3.36Å; A117-L121 PolarHBondContact O-N 2.73Å
118	L	93.7	Very high	94.3	Very high	105 Å²	105	100.1 Å²	100.1	55%	0.55	50%	0.501	S	S	.	.	H	α-helix	trans	-67.9	-37.4	176.2	-73.6	170.3	0	0	0	112.5	E114 T116 L121 V122	E114-L118 WeakPolarHBondContact O-CB 3.48Å; E114-L118 VanDerWaalsContact O-CG 3.27Å; E114-L118 WeakPolarHBondContact O-CG 3.35Å; E114-L118 PolarHBondContact O-N 2.86Å; T116-L118 PolarHBondContact O-N 3.45Å; L118-L121 HydrophobicContact CD2-CD2 4.48Å; L118-L121 PolarHBondContact O-N 3.34Å; L118-V122 WeakPolarHBondContact O-CB 3.48Å; L118-V122 VanDerWaalsContact O-CG2 3.31Å; L118-V122 WeakPolarHBondContact O-CG2 3.38Å; L118-V122 PolarHBondContact O-N 3.49Å
119	R	94.1	Very high	94.4	Very high	150 Å²	150	99.2 Å²	99.2	57%	0.566	50%	0.501	S	S	*	.	H	α-helix	trans	-62.9	-48.1	171.8	-76.6	168.1	-179.4	164.3	3.1	111.4	I115 T116 L121 V122 D123	I115-R119 VanDerWaalsContact CG2-CZ 3.45Å; I115-R119 WeakPolarHBondContact O-CB 3.27Å; I115-R119 VanDerWaalsContact O-CG 3.22Å; I115-R119 WeakPolarHBondContact O-CG 3.33Å; I115-R119 PolarHBondContact O-N 3.4Å; T116-R119 PolarHBondContact O-N 3.23Å; R119-L121 VanDerWaalsContact C-N 3.3Å; R119-L121 PolarHBondContact O-N 2.93Å; R119-V122 PolarHBondContact O-N 2.86Å; R119-V122 VanDerWaalsContact O-N 3.16Å; R119-D123 PolarHBondContact O-N 3.02Å
120	N	94.7	Very high	94.4	Very high	97 Å²	97	95.9 Å²	95.9	52%	0.519	49%	0.493	S	S	.	.	H	α-helix	trans	-59.5	-42.2	176.4	-67.1	-19.7	0	0	0	111.4	T116 A117 D123 D124	T116-N120 WeakPolarHBondContact O-CB 3.46Å; T116-N120 PolarHBondContact O-N 3.36Å; T116-N120 PolarHBondContact O-ND2 2.92Å; A117-N120 PolarHBondContact O-N 3.44Å; N120-D123 PolarHBondContact O-N 2.94Å; N120-D124 WeakPolarHBondContact O-CB 3.25Å; N120-D124 PolarHBondContact O-N 3.39Å
121	L	95.8	Very high	94.5	Very high	105 Å²	105	98.7 Å²	98.7	55%	0.55	50%	0.5	S	S	.	.	H	α-helix	trans	-62.6	-42.9	174.9	-178.1	66	0	0	0	112.1	A117 L118 R119 L125	A117-L121 WeakPolarHBondContact O-CB 3.36Å; A117-L121 PolarHBondContact O-N 2.73Å; L118-L121 HydrophobicContact CD2-CD2 4.48Å; L118-L121 PolarHBondContact O-N 3.34Å; R119-L121 VanDerWaalsContact C-N 3.3Å; R119-L121 PolarHBondContact O-N 2.93Å; L121-L125 WeakPolarHBondContact O-CB 3.46Å; L121-L125 PolarHBondContact O-N 3.24Å
122	V	95.3	Very high	94.6	Very high	97 Å²	97	94.3 Å²	94.3	59%	0.588	49%	0.494	S	S	*	.	H	α-helix	trans	-64.1	-43.5	175.8	166	0	0	0	0	111.2	L118 R119 L125 A126	L118-V122 WeakPolarHBondContact O-CB 3.48Å; L118-V122 VanDerWaalsContact O-CG2 3.31Å; L118-V122 WeakPolarHBondContact O-CG2 3.38Å; L118-V122 PolarHBondContact O-N 3.49Å; R119-V122 PolarHBondContact O-N 2.86Å; R119-V122 VanDerWaalsContact O-N 3.16Å; V122-L125 PolarHBondContact O-N 3.46Å; V122-A126 VanDerWaalsContact O-CB 3.25Å; V122-A126 WeakPolarHBondContact O-CB 3.28Å; V122-A126 PolarHBondContact O-N 3.24Å
123	D	94.9	Very high	94.6	Very high	88 Å²	88	94 Å²	94	47%	0.471	49%	0.493	S	S	.	.	H	α-helix	trans	-66.4	-41	177.7	-78.5	-13.5	0	0	0	112	R119 N120 A126 K127	R119-D123 PolarHBondContact O-N 3.02Å; N120-D123 PolarHBondContact O-N 2.94Å; D123-A126 PolarHBondContact O-N 3.44Å; D123-K127 WeakPolarHBondContact O-CE 3.31Å; D123-K127 WeakPolarHBondContact O-CG 3.48Å; D123-K127 PolarHBondContact O-N 2.91Å
124	D	95.2	Very high	94.6	Very high	76 Å²	76	94.8 Å²	94.8	41%	0.406	50%	0.497	S	S	.	.	H	α-helix	trans	-71.9	-35.8	176.8	-77.2	-14.8	0	0	0	112.4	N120 A126 K127 Q128	N120-D124 WeakPolarHBondContact O-CB 3.25Å; N120-D124 PolarHBondContact O-N 3.39Å; D124-A126 VanDerWaalsContact C-N 3.33Å; D124-K127 PolarHBondContact O-N 3.4Å; D124-K127 WeakPolarHBondContact OD1-CD 3.34Å; D124-K127 IonicContact OD1-NZ 3.94Å; D124-K127 PolarHBondContact OD1-NZ 3.07Å; D124-Q128 WeakPolarHBondContact O-CB 3.41Å; D124-Q128 VanDerWaalsContact O-CG 3.26Å; D124-Q128 WeakPolarHBondContact O-CG 3.48Å; D124-Q128 PolarHBondContact O-N 2.91Å
125	L	93.3	Very high	94.7	Very high	104 Å²	104	92.7 Å²	92.7	55%	0.545	49%	0.489	S	S	.	.	H	α-helix	trans	-68.2	-35	172.1	-158.6	162.4	0	0	0	110.4	L121 V122 Q128 K129	L121-L125 WeakPolarHBondContact O-CB 3.46Å; L121-L125 PolarHBondContact O-N 3.24Å; V122-L125 PolarHBondContact O-N 3.46Å; L125-Q128 PolarHBondContact O-N 3.1Å; L125-K129 WeakPolarHBondContact O-CB 3.38Å; L125-K129 PolarHBondContact O-N 3.44Å
126	A	94.6	Very high	94.7	Very high	50 Å²	50	92.8 Å²	92.8	41%	0.413	50%	0.496	S	S	.	.	H	α-helix	trans	-67	-39.9	171.3	0	0	0	0	0	112.7	V122 D123 D124 S130	V122-A126 VanDerWaalsContact O-CB 3.25Å; V122-A126 WeakPolarHBondContact O-CB 3.28Å; V122-A126 PolarHBondContact O-N 3.24Å; D123-A126 PolarHBondContact O-N 3.44Å; D124-A126 VanDerWaalsContact C-N 3.33Å; A126-S130 WeakPolarHBondContact O-CB 3.43Å; A126-S130 PolarHBondContact O-N 3.46Å; A126-S130 PolarHBondContact O-OG 3.48Å
127	K	95	Very high	94.8	Very high	117 Å²	117	96.4 Å²	96.4	51%	0.509	51%	0.507	S	S	.	.	H	α-helix	trans	-63.6	-45	171.6	-69.8	162.1	-144	159.6	0	111.4	D123 D124 S130 K131	D123-K127 WeakPolarHBondContact O-CE 3.31Å; D123-K127 WeakPolarHBondContact O-CG 3.48Å; D123-K127 PolarHBondContact O-N 2.91Å; D124-K127 PolarHBondContact O-N 3.4Å; D124-K127 WeakPolarHBondContact OD1-CD 3.34Å; D124-K127 IonicContact OD1-NZ 3.94Å; D124-K127 PolarHBondContact OD1-NZ 3.07Å; K127-S130 WeakPolarHBondContact CA-OG 3.48Å; K127-S130 PolarHBondContact O-OG 2.99Å; K127-S130 VanDerWaalsContact O-OG 3.14Å; K127-K131 VanDerWaalsContact O-CB 3.26Å; K127-K131 WeakPolarHBondContact O-CB 3.49Å; K127-K131 PolarHBondContact O-N 2.8Å
128	Q	95.5	Very high	94.9	Very high	140 Å²	140	99.1 Å²	99.1	65%	0.654	51%	0.511	S	S	*	.	H	α-helix	trans	-65.6	-42.6	177.4	-73.2	175.9	31.9	0	0	111.8	D124 L125 A132	D124-Q128 WeakPolarHBondContact O-CB 3.41Å; D124-Q128 VanDerWaalsContact O-CG 3.26Å; D124-Q128 WeakPolarHBondContact O-CG 3.48Å; D124-Q128 PolarHBondContact O-N 2.91Å; L125-Q128 PolarHBondContact O-N 3.1Å; Q128-A132 VanDerWaalsContact O-CB 3.31Å; Q128-A132 WeakPolarHBondContact O-CB 3.05Å; Q128-A132 PolarHBondContact O-N 2.88Å
129	K	94.7	Very high	94.9	Very high	123 Å²	123	100.3 Å²	100.3	54%	0.535	52%	0.515	S	S	.	.	H	α-helix	trans	-63.3	-51.1	175.6	177	178.4	170.3	-179.4	0	111.6	L125 K131 A132 E133	L125-K129 WeakPolarHBondContact O-CB 3.38Å; L125-K129 PolarHBondContact O-N 3.44Å; K129-K131 VanDerWaalsContact C-N 3.31Å; K129-K131 PolarHBondContact O-N 3.05Å; K129-A132 PolarHBondContact O-N 3.33Å; K129-E133 WeakPolarHBondContact CE-OE1 3.4Å; K129-E133 HydrophobicContact CG-CG 4.47Å; K129-E133 IonicContact NZ-OE1 2.66Å; K129-E133 WeakPolarHBondContact O-CB 3.22Å; K129-E133 WeakPolarHBondContact O-CG 3.35Å; K129-E133 PolarHBondContact O-N 2.9Å
130	S	94.1	Very high	95	Very high	58 Å²	58	101.2 Å²	101.2	41%	0.406	52%	0.518	S	S	.	.	H	α-helix	trans	-63.8	-36.4	179.3	53	0	0	0	0	112	A126 K127 E133 L134	A126-S130 WeakPolarHBondContact O-CB 3.43Å; A126-S130 PolarHBondContact O-N 3.46Å; A126-S130 PolarHBondContact O-OG 3.48Å; K127-S130 WeakPolarHBondContact CA-OG 3.48Å; K127-S130 PolarHBondContact O-OG 2.99Å; K127-S130 VanDerWaalsContact O-OG 3.14Å; S130-E133 PolarHBondContact O-N 2.91Å; S130-L134 WeakPolarHBondContact O-CB 3.23Å; S130-L134 VanDerWaalsContact O-CG 3.3Å; S130-L134 WeakPolarHBondContact O-CG 3.47Å; S130-L134 PolarHBondContact O-N 3.49Å
131	K	95.5	Very high	95.1	Very high	130 Å²	130	101.3 Å²	101.3	57%	0.565	52%	0.519	S	S	*	.	H	α-helix	trans	-62.6	-50.6	169.2	-176.1	174.9	177.7	-178	0	111.8	K127 K129 E133 L134 D135	K127-K131 VanDerWaalsContact O-CB 3.26Å; K127-K131 WeakPolarHBondContact O-CB 3.49Å; K127-K131 PolarHBondContact O-N 2.8Å; K129-K131 VanDerWaalsContact C-N 3.31Å; K129-K131 PolarHBondContact O-N 3.05Å; K131-E133 VanDerWaalsContact C-N 3.26Å; K131-E133 PolarHBondContact O-N 3.04Å; K131-L134 CarbonylContact O-C 3.47Å; K131-L134 PolarHBondContact O-N 3.4Å; K131-D135 VanDerWaalsContact CE-OD2 3.31Å; K131-D135 WeakPolarHBondContact CE-OD2 3.22Å; K131-D135 WeakPolarHBondContact O-CB 3.45Å; K131-D135 VanDerWaalsContact O-CG 3.22Å; K131-D135 PolarHBondContact O-N 2.96Å
132	A	93.2	Very high	95.1	Very high	57 Å²	57	101.5 Å²	101.5	47%	0.471	52%	0.517	S	S	.	.	H	α-helix	trans	-61.7	-32.2	178.6	0	0	0	0	0	112.9	Q128 K129 S136	Q128-A132 VanDerWaalsContact O-CB 3.31Å; Q128-A132 WeakPolarHBondContact O-CB 3.05Å; Q128-A132 PolarHBondContact O-N 2.88Å; K129-A132 PolarHBondContact O-N 3.33Å; A132-S136 WeakPolarHBondContact O-CB 3.32Å; A132-S136 PolarHBondContact O-N 3.21Å
133	E	96.3	Very high	95.1	Very high	95 Å²	95	100.7 Å²	100.7	44%	0.444	51%	0.509	S	S	.	.	H	α-helix	trans	-71	-35.9	172.3	-75	178.6	-177.3	0	0	112.7	K129 S130 K131 K137	K129-E133 WeakPolarHBondContact CE-OE1 3.4Å; K129-E133 HydrophobicContact CG-CG 4.47Å; K129-E133 IonicContact NZ-OE1 2.66Å; K129-E133 WeakPolarHBondContact O-CB 3.22Å; K129-E133 WeakPolarHBondContact O-CG 3.35Å; K129-E133 PolarHBondContact O-N 2.9Å; S130-E133 PolarHBondContact O-N 2.91Å; K131-E133 VanDerWaalsContact C-N 3.26Å; K131-E133 PolarHBondContact O-N 3.04Å; E133-K137 WeakPolarHBondContact O-CB 3.47Å; E133-K137 VanDerWaalsContact O-CG 3.28Å; E133-K137 WeakPolarHBondContact O-CG 3.34Å; E133-K137 PolarHBondContact O-N 3.32Å
134	L	95	Very high	95.1	Very high	102 Å²	102	99.4 Å²	99.4	53%	0.534	50%	0.502	S	S	.	.	H	α-helix	trans	-70.4	-49.4	173.1	-74.3	169.9	0	0	0	111.6	S130 K131 S136 K137 Q138	S130-L134 WeakPolarHBondContact O-CB 3.23Å; S130-L134 VanDerWaalsContact O-CG 3.3Å; S130-L134 WeakPolarHBondContact O-CG 3.47Å; S130-L134 PolarHBondContact O-N 3.49Å; K131-L134 CarbonylContact O-C 3.47Å; K131-L134 PolarHBondContact O-N 3.4Å; L134-S136 VanDerWaalsContact C-N 3.29Å; L134-S136 PolarHBondContact O-N 2.84Å; L134-K137 PolarHBondContact O-N 2.88Å; L134-K137 VanDerWaalsContact O-N 3.13Å; L134-Q138 WeakPolarHBondContact O-CG 3.41Å; L134-Q138 PolarHBondContact O-N 2.96Å
135	D	95.4	Very high	95.2	Very high	66 Å²	66	99.4 Å²	99.4	35%	0.353	50%	0.502	S	S	.	.	H	α-helix	trans	-59.2	-42.4	176.6	-63	-6.2	0	0	0	109.9	K131 Q138 M139	K131-D135 VanDerWaalsContact CE-OD2 3.31Å; K131-D135 WeakPolarHBondContact CE-OD2 3.22Å; K131-D135 WeakPolarHBondContact O-CB 3.45Å; K131-D135 VanDerWaalsContact O-CG 3.22Å; K131-D135 PolarHBondContact O-N 2.96Å; D135-Q138 PolarHBondContact O-N 3.24Å; D135-M139 WeakPolarHBondContact O-CB 3.37Å; D135-M139 WeakPolarHBondContact O-CG 3.23Å; D135-M139 PolarHBondContact O-N 2.99Å
136	S	94.5	Very high	95.3	Very high	79 Å²	79	99.6 Å²	99.6	55%	0.552	50%	0.502	S	S	*	.	H	α-helix	trans	-63.6	-39.4	174.8	-178.1	0	0	0	0	112.8	A132 L134 R140	A132-S136 WeakPolarHBondContact O-CB 3.32Å; A132-S136 PolarHBondContact O-N 3.21Å; L134-S136 VanDerWaalsContact C-N 3.29Å; L134-S136 PolarHBondContact O-N 2.84Å; S136-R140 VanDerWaalsContact O-CB 3.26Å; S136-R140 WeakPolarHBondContact O-CB 3.21Å; S136-R140 PolarHBondContact O-N 3.23Å
137	K	95.7	Very high	95.4	Very high	129 Å²	129	103 Å²	103	56%	0.561	51%	0.508	S	S	*	.	H	α-helix	trans	-66.5	-47.6	173	-78.5	172.3	-178.5	174.6	0	111.9	E133 L134 M139 R140 D141	E133-K137 WeakPolarHBondContact O-CB 3.47Å; E133-K137 VanDerWaalsContact O-CG 3.28Å; E133-K137 WeakPolarHBondContact O-CG 3.34Å; E133-K137 PolarHBondContact O-N 3.32Å; L134-K137 PolarHBondContact O-N 2.88Å; L134-K137 VanDerWaalsContact O-N 3.13Å; K137-M139 PolarHBondContact O-N 2.94Å; K137-R140 CarbonylContact O-C 3.49Å; K137-R140 WeakPolarHBondContact O-CA 3.35Å; K137-R140 VanDerWaalsContact O-CB 3.3Å; K137-R140 WeakPolarHBondContact O-CB 3.43Å; K137-R140 PolarHBondContact O-N 2.83Å; K137-D141 WeakPolarHBondContact O-CB 3.4Å; K137-D141 PolarHBondContact O-N 3.36Å
138	Q	95.8	Very high	95.4	Very high	114 Å²	114	103.3 Å²	103.3	53%	0.533	51%	0.513	S	S	.	.	H	α-helix	trans	-56.4	-50.3	176.8	-72.6	175.8	-0.5	0	0	111	L134 D135 R140 D141 E142	L134-Q138 WeakPolarHBondContact O-CG 3.41Å; L134-Q138 PolarHBondContact O-N 2.96Å; D135-Q138 PolarHBondContact O-N 3.24Å; Q138-R140 VanDerWaalsContact C-N 3.25Å; Q138-R140 PolarHBondContact O-N 3.34Å; Q138-D141 PolarHBondContact O-N 3.41Å; Q138-E142 WeakPolarHBondContact O-CB 3.45Å; Q138-E142 WeakPolarHBondContact O-CG 3.36Å; Q138-E142 PolarHBondContact O-N 3.45Å
139	M	94.4	Very high	95.4	Very high	129 Å²	129	102.3 Å²	102.3	64%	0.635	51%	0.506	S	S	*	.	H	α-helix	trans	-65.2	-26.9	177	-64.6	-69	-85.4	0	0	112.8	D135 K137 L143	D135-M139 WeakPolarHBondContact O-CB 3.37Å; D135-M139 WeakPolarHBondContact O-CG 3.23Å; D135-M139 PolarHBondContact O-N 2.99Å; K137-M139 PolarHBondContact O-N 2.94Å; M139-L143 WeakPolarHBondContact O-CB 3.39Å; M139-L143 PolarHBondContact O-N 2.96Å
140	R	96.5	Very high	95.5	Very high	170 Å²	170	98.8 Å²	98.8	64%	0.642	50%	0.5	S	S	*	.	H	α-helix	trans	-71.4	-44.9	172.6	-167.6	71	175.1	-160.3	-0.4	111.5	S136 K137 Q138 L143 N144	S136-R140 VanDerWaalsContact O-CB 3.26Å; S136-R140 WeakPolarHBondContact O-CB 3.21Å; S136-R140 PolarHBondContact O-N 3.23Å; K137-R140 CarbonylContact O-C 3.49Å; K137-R140 WeakPolarHBondContact O-CA 3.35Å; K137-R140 VanDerWaalsContact O-CB 3.3Å; K137-R140 WeakPolarHBondContact O-CB 3.43Å; K137-R140 PolarHBondContact O-N 2.83Å; Q138-R140 VanDerWaalsContact C-N 3.25Å; Q138-R140 PolarHBondContact O-N 3.34Å; R140-L143 PolarHBondContact O-N 3.5Å; R140-N144 PolarHBondContact O-N 2.7Å; R140-N144 PolarHBondContact O-ND2 3.49Å; R140-N144 VanDerWaalsContact O-ND2 3.16Å
141	D	95.9	Very high	95.6	Very high	98 Å²	98	101.3 Å²	101.3	52%	0.524	51%	0.509	S	S	.	.	H	α-helix	trans	-73.3	-43.9	-176.6	-67.3	-27	0	0	0	110.8	K137 Q138 L143 N144 D145	K137-D141 WeakPolarHBondContact O-CB 3.4Å; K137-D141 PolarHBondContact O-N 3.36Å; Q138-D141 PolarHBondContact O-N 3.41Å; D141-L143 VanDerWaalsContact C-N 3.31Å; D141-L143 PolarHBondContact O-N 2.65Å; D141-N144 WeakPolarHBondContact O-CB 3.4Å; D141-N144 PolarHBondContact O-N 2.92Å; D141-N144 VanDerWaalsContact O-N 3.1Å; D141-D145 WeakPolarHBondContact O-CB 3.45Å; D141-D145 PolarHBondContact O-N 3.03Å
142	E	96.2	Very high	95.6	Very high	110 Å²	110	101.6 Å²	101.6	51%	0.514	51%	0.51	S	S	.	.	H	α-helix	trans	-55.5	-43.8	169.3	-74.4	-176.2	-169.2	0	0	112.2	Q138 N144 D145 I146	Q138-E142 WeakPolarHBondContact O-CB 3.45Å; Q138-E142 WeakPolarHBondContact O-CG 3.36Å; Q138-E142 PolarHBondContact O-N 3.45Å; E142-N144 VanDerWaalsContact C-N 3.33Å; E142-N144 PolarHBondContact O-N 3.33Å; E142-D145 PolarHBondContact O-N 2.67Å; E142-I146 WeakPolarHBondContact O-CB 3.45Å; E142-I146 VanDerWaalsContact O-CG1 3.23Å; E142-I146 WeakPolarHBondContact O-CG1 3.45Å; E142-I146 PolarHBondContact O-N 3.16Å
143	L	95.1	Very high	95.7	Very high	79 Å²	79	106.7 Å²	106.7	41%	0.414	52%	0.517	S	S	.	.	H	α-helix	trans	-67.9	-31.4	177.7	178.4	143.9	0	0	0	112.6	M139 R140 D141 K147	M139-L143 WeakPolarHBondContact O-CB 3.39Å; M139-L143 PolarHBondContact O-N 2.96Å; R140-L143 PolarHBondContact O-N 3.5Å; D141-L143 VanDerWaalsContact C-N 3.31Å; D141-L143 PolarHBondContact O-N 2.65Å; L143-K147 HydrophobicContact CD2-CD 4.02Å; L143-K147 WeakPolarHBondContact O-CB 3.35Å; L143-K147 WeakPolarHBondContact O-CD 3.41Å; L143-K147 WeakPolarHBondContact O-CG 3.3Å; L143-K147 PolarHBondContact O-N 2.84Å
144	N	95.7	Very high	95.7	Very high	61 Å²	61	105.6 Å²	105.6	33%	0.326	51%	0.514	S	S	.	.	H	α-helix	trans	-69.8	-43.6	170.3	-68.5	-31	0	0	0	111	R140 D141 E142 K147 M148	R140-N144 PolarHBondContact O-N 2.7Å; R140-N144 PolarHBondContact O-ND2 3.49Å; R140-N144 VanDerWaalsContact O-ND2 3.16Å; D141-N144 WeakPolarHBondContact O-CB 3.4Å; D141-N144 PolarHBondContact O-N 2.92Å; D141-N144 VanDerWaalsContact O-N 3.1Å; E142-N144 VanDerWaalsContact C-N 3.33Å; E142-N144 PolarHBondContact O-N 3.33Å; N144-K147 WeakPolarHBondContact O-CB 3.48Å; N144-K147 PolarHBondContact O-N 3.16Å; N144-M148 HydrophobicContact CB-CE 4.32Å; N144-M148 WeakPolarHBondContact O-CG 3.5Å; N144-M148 PolarHBondContact O-N 3.46Å
145	D	96	Very high	95.8	Very high	76 Å²	76	104.9 Å²	104.9	41%	0.406	51%	0.508	S	S	.	.	H	α-helix	trans	-66.5	-43	-178.3	-131.7	41.3	0	0	0	111.7	D141 E142 M148 K149	D141-D145 WeakPolarHBondContact O-CB 3.45Å; D141-D145 PolarHBondContact O-N 3.03Å; E142-D145 PolarHBondContact O-N 2.67Å; D145-M148 PolarHBondContact O-N 2.95Å; D145-K149 WeakPolarHBondContact O-CB 3.26Å; D145-K149 WeakPolarHBondContact O-CD 3.24Å; D145-K149 WeakPolarHBondContact O-CG 3.4Å; D145-K149 PolarHBondContact O-N 3.3Å; D145-K149 WeakPolarHBondContact OD2-CE 3.49Å; D145-K149 IonicContact OD2-NZ 2.88Å; D145-K149 PolarHBondContact OD2-NZ 3.01Å
146	I	95.6	Very high	95.8	Very high	108 Å²	108	105.2 Å²	105.2	55%	0.554	51%	0.507	S	S	*	.	H	α-helix	trans	-62.7	-42.1	172.8	-70.2	166.4	0	0	0	110.3	E142 K149 A150	E142-I146 WeakPolarHBondContact O-CB 3.45Å; E142-I146 VanDerWaalsContact O-CG1 3.23Å; E142-I146 WeakPolarHBondContact O-CG1 3.45Å; E142-I146 PolarHBondContact O-N 3.16Å; I146-K149 PolarHBondContact O-N 3.47Å; I146-A150 VanDerWaalsContact O-CB 3.26Å; I146-A150 WeakPolarHBondContact O-CB 3.29Å; I146-A150 PolarHBondContact O-N 3.45Å
147	K	96.5	Very high	95.8	Very high	122 Å²	122	105.2 Å²	105.2	53%	0.53	50%	0.502	S	S	.	.	H	α-helix	trans	-63.5	-40.8	174.5	-79.7	172.6	179.6	-178.8	0	112.8	L143 N144 A150 N151	L143-K147 HydrophobicContact CD2-CD 4.02Å; L143-K147 WeakPolarHBondContact O-CB 3.35Å; L143-K147 WeakPolarHBondContact O-CD 3.41Å; L143-K147 WeakPolarHBondContact O-CG 3.3Å; L143-K147 PolarHBondContact O-N 2.84Å; N144-K147 WeakPolarHBondContact O-CB 3.48Å; N144-K147 PolarHBondContact O-N 3.16Å; K147-A150 PolarHBondContact O-N 3.46Å; K147-N151 WeakPolarHBondContact O-CB 3.37Å; K147-N151 PolarHBondContact O-N 2.88Å
148	M	95.7	Very high	95.9	Very high	124 Å²	124	104.2 Å²	104.2	61%	0.611	49%	0.494	S	S	*	.	H	α-helix	trans	-66.4	-42.9	176.2	-73.5	-168.2	-109.7	0	0	111.6	N144 D145 N151 K152	N144-M148 HydrophobicContact CB-CE 4.32Å; N144-M148 WeakPolarHBondContact O-CG 3.5Å; N144-M148 PolarHBondContact O-N 3.46Å; D145-M148 PolarHBondContact O-N 2.95Å; M148-N151 PolarHBondContact O-N 3.1Å; M148-K152 WeakPolarHBondContact O-CB 3.43Å; M148-K152 PolarHBondContact O-N 2.7Å
149	K	96.3	Very high	95.9	Very high	119 Å²	119	102.5 Å²	102.5	52%	0.517	49%	0.489	S	S	.	.	H	α-helix	trans	-62.8	-41.2	174.6	-69.5	160.8	-166.3	167.5	0	111.7	D145 I146 R153	D145-K149 WeakPolarHBondContact O-CB 3.26Å; D145-K149 WeakPolarHBondContact O-CD 3.24Å; D145-K149 WeakPolarHBondContact O-CG 3.4Å; D145-K149 PolarHBondContact O-N 3.3Å; D145-K149 WeakPolarHBondContact OD2-CE 3.49Å; D145-K149 IonicContact OD2-NZ 2.88Å; D145-K149 PolarHBondContact OD2-NZ 3.01Å; I146-K149 PolarHBondContact O-N 3.47Å; K149-R153 WeakPolarHBondContact O-CB 3.41Å; K149-R153 VanDerWaalsContact O-CG 3.31Å; K149-R153 WeakPolarHBondContact O-CG 3.37Å; K149-R153 PolarHBondContact O-N 3.3Å
150	A	95.6	Very high	96	Very high	49 Å²	49	101.2 Å²	101.2	41%	0.405	48%	0.484	S	S	.	.	H	α-helix	trans	-64.7	-51.9	175.2	0	0	0	0	0	112.1	I146 K147 K152 R153 D154	I146-A150 VanDerWaalsContact O-CB 3.26Å; I146-A150 WeakPolarHBondContact O-CB 3.29Å; I146-A150 PolarHBondContact O-N 3.45Å; K147-A150 PolarHBondContact O-N 3.46Å; A150-K152 VanDerWaalsContact C-N 3.28Å; A150-K152 PolarHBondContact O-N 3.14Å; A150-R153 PolarHBondContact O-N 2.9Å; A150-R153 VanDerWaalsContact O-N 3.1Å; A150-D154 WeakPolarHBondContact O-CB 3.33Å; A150-D154 PolarHBondContact O-N 3.26Å
151	N	96.1	Very high	96	Very high	110 Å²	110	98.1 Å²	98.1	59%	0.588	48%	0.476	S	S	*	.	H	α-helix	trans	-57.8	-39.5	176.4	-96	-19.3	0	0	0	112.4	K147 M148 Q155	K147-N151 WeakPolarHBondContact O-CB 3.37Å; K147-N151 PolarHBondContact O-N 2.88Å; M148-N151 PolarHBondContact O-N 3.1Å; N151-Q155 WeakPolarHBondContact O-CB 3.29Å; N151-Q155 PolarHBondContact O-N 2.94Å
152	K	96.3	Very high	96	Very high	136 Å²	136	99 Å²	99	59%	0.591	47%	0.473	S	S	*	.	H	α-helix	trans	-63	-46.8	174.9	178.7	168.2	174.2	172.2	0	111.2	M148 A150 Q155 E156	M148-K152 WeakPolarHBondContact O-CB 3.43Å; M148-K152 PolarHBondContact O-N 2.7Å; A150-K152 VanDerWaalsContact C-N 3.28Å; A150-K152 PolarHBondContact O-N 3.14Å; K152-Q155 PolarHBondContact O-N 3.2Å; K152-E156 WeakPolarHBondContact CE-OE1 3.21Å; K152-E156 HydrophobicContact CG-CG 4.45Å; K152-E156 WeakPolarHBondContact CG-OE1 3.29Å; K152-E156 IonicContact NZ-OE1 3.76Å; K152-E156 WeakPolarHBondContact O-CB 3.12Å; K152-E156 VanDerWaalsContact O-CG 3.3Å; K152-E156 WeakPolarHBondContact O-CG 3.39Å; K152-E156 PolarHBondContact O-N 2.85Å
153	R	95.2	Very high	96.1	Very high	164 Å²	164	100.1 Å²	100.1	62%	0.619	48%	0.476	S	S	*	.	H	α-helix	trans	-65.8	-37.7	178	-73.8	-74.9	162.1	80.6	-0.7	113.1	K149 A150 E156 N157	K149-R153 WeakPolarHBondContact O-CB 3.41Å; K149-R153 VanDerWaalsContact O-CG 3.31Å; K149-R153 WeakPolarHBondContact O-CG 3.37Å; K149-R153 PolarHBondContact O-N 3.3Å; A150-R153 PolarHBondContact O-N 2.9Å; A150-R153 VanDerWaalsContact O-N 3.1Å; R153-E156 VanDerWaalsContact CD-OE2 3.28Å; R153-E156 WeakPolarHBondContact CD-OE2 3.24Å; R153-E156 IonicContact NE-OE2 2.59Å; R153-E156 PolarHBondContact NE-OE2 3.43Å; R153-E156 VanDerWaalsContact NE-OE2 3.17Å; R153-E156 PolarHBondContact O-N 2.95Å; R153-N157 VanDerWaalsContact O-CB 3.29Å; R153-N157 WeakPolarHBondContact O-CB 3.08Å; R153-N157 PolarHBondContact O-N 2.79Å; R153-N157 PolarHBondContact O-ND2 3.01Å
154	D	96.5	Very high	96.1	Very high	73 Å²	73	100.7 Å²	100.7	39%	0.39	48%	0.478	S	S	.	.	H	α-helix	trans	-62.5	-41.9	172.4	-90.8	10.8	0	0	0	111.8	A150 N157 R158	A150-D154 WeakPolarHBondContact O-CB 3.33Å; A150-D154 PolarHBondContact O-N 3.26Å; D154-N157 PolarHBondContact O-N 3.3Å; D154-R158 WeakPolarHBondContact O-CB 3.2Å; D154-R158 WeakPolarHBondContact O-CD 3.46Å; D154-R158 WeakPolarHBondContact O-CG 3.27Å; D154-R158 PolarHBondContact O-N 3.4Å; D154-R158 IonicContact OD2-NH2 3.84Å; D154-R158 PolarHBondContact OD2-NH2 3.25Å
155	Q	96	Very high	96.1	Very high	87 Å²	87	102.4 Å²	102.4	41%	0.407	48%	0.484	S	S	.	.	H	α-helix	trans	-71.6	-37.4	177.4	-168.8	68	-3.5	0	0	112.1	N151 K152 R158 N159	N151-Q155 WeakPolarHBondContact O-CB 3.29Å; N151-Q155 PolarHBondContact O-N 2.94Å; K152-Q155 PolarHBondContact O-N 3.2Å; Q155-R158 PolarHBondContact O-N 3.03Å; Q155-N159 WeakPolarHBondContact O-CB 3.35Å; Q155-N159 PolarHBondContact O-N 3.02Å; Q155-N159 PolarHBondContact O-ND2 3.37Å; Q155-N159 PolarHBondContact O-OD1 3.49Å
156	E	96.2	Very high	96.2	Very high	72 Å²	72	102 Å²	102	34%	0.336	48%	0.482	S	S	.	.	H	α-helix	trans	-59.5	-49	170.1	-74.1	167.6	174.5	0	0	110.6	K152 R153 N159 L160	K152-E156 WeakPolarHBondContact CE-OE1 3.21Å; K152-E156 HydrophobicContact CG-CG 4.45Å; K152-E156 WeakPolarHBondContact CG-OE1 3.29Å; K152-E156 IonicContact NZ-OE1 3.76Å; K152-E156 WeakPolarHBondContact O-CB 3.12Å; K152-E156 VanDerWaalsContact O-CG 3.3Å; K152-E156 WeakPolarHBondContact O-CG 3.39Å; K152-E156 PolarHBondContact O-N 2.85Å; R153-E156 VanDerWaalsContact CD-OE2 3.28Å; R153-E156 WeakPolarHBondContact CD-OE2 3.24Å; R153-E156 IonicContact NE-OE2 2.59Å; R153-E156 PolarHBondContact NE-OE2 3.43Å; R153-E156 VanDerWaalsContact NE-OE2 3.17Å; R153-E156 PolarHBondContact O-N 2.95Å; E156-N159 PolarHBondContact O-N 2.87Å; E156-L160 WeakPolarHBondContact O-CG 3.47Å; E156-L160 PolarHBondContact O-N 3.2Å
157	N	95.6	Very high	96.2	Very high	80 Å²	80	101.2 Å²	101.2	43%	0.428	48%	0.479	S	S	.	.	H	α-helix	trans	-59.5	-47.3	176.2	-76.1	-26	0	0	0	112.2	R153 D154 N159 L160 Q161	R153-N157 VanDerWaalsContact O-CB 3.29Å; R153-N157 WeakPolarHBondContact O-CB 3.08Å; R153-N157 PolarHBondContact O-N 2.79Å; R153-N157 PolarHBondContact O-ND2 3.01Å; D154-N157 PolarHBondContact O-N 3.3Å; N157-N159 VanDerWaalsContact C-N 3.3Å; N157-N159 PolarHBondContact O-N 3.03Å; N157-L160 PolarHBondContact O-N 2.94Å; N157-Q161 WeakPolarHBondContact O-CB 3.46Å; N157-Q161 VanDerWaalsContact O-CG 3.24Å; N157-Q161 WeakPolarHBondContact O-CG 3.48Å; N157-Q161 PolarHBondContact O-N 2.84Å
158	R	96.1	Very high	96.2	Very high	108 Å²	108	101.2 Å²	101.2	41%	0.408	48%	0.481	S	S	.	.	H	α-helix	trans	-62	-36.6	176.6	-70.3	163.7	-163.2	164.7	7.5	112.4	D154 Q155 R162	D154-R158 WeakPolarHBondContact O-CB 3.2Å; D154-R158 WeakPolarHBondContact O-CD 3.46Å; D154-R158 WeakPolarHBondContact O-CG 3.27Å; D154-R158 PolarHBondContact O-N 3.4Å; D154-R158 IonicContact OD2-NH2 3.84Å; D154-R158 PolarHBondContact OD2-NH2 3.25Å; Q155-R158 PolarHBondContact O-N 3.03Å; R158-R162 WeakPolarHBondContact O-CG 3.33Å; R158-R162 PolarHBondContact O-N 3.46Å
159	N	96.5	Very high	96.2	Very high	78 Å²	78	103 Å²	103	42%	0.417	48%	0.481	S	S	.	.	H	α-helix	trans	-71.5	-38.4	177.1	-70.6	-12.5	0	0	0	111.6	Q155 E156 N157 R162 K163	Q155-N159 WeakPolarHBondContact O-CB 3.35Å; Q155-N159 PolarHBondContact O-N 3.02Å; Q155-N159 PolarHBondContact O-ND2 3.37Å; Q155-N159 PolarHBondContact O-OD1 3.49Å; E156-N159 PolarHBondContact O-N 2.87Å; N157-N159 VanDerWaalsContact C-N 3.3Å; N157-N159 PolarHBondContact O-N 3.03Å; N159-R162 PolarHBondContact OD1-NH1 2.88Å; N159-K163 WeakPolarHBondContact O-CB 3.29Å; N159-K163 PolarHBondContact O-N 3Å
160	L	96.3	Very high	96.2	Very high	101 Å²	101	102.1 Å²	102.1	53%	0.529	48%	0.478	S	S	.	.	H	α-helix	trans	-67.4	-42.8	173.6	-71.1	170.7	0	0	0	111.7	E156 N157 K163 I164	E156-L160 WeakPolarHBondContact O-CG 3.47Å; E156-L160 PolarHBondContact O-N 3.2Å; N157-L160 PolarHBondContact O-N 2.94Å; L160-K163 CarbonylContact O-C 3.59Å; L160-K163 PolarHBondContact O-N 2.87Å; L160-K163 VanDerWaalsContact O-N 3.11Å; L160-I164 WeakPolarHBondContact O-CG1 3.35Å; L160-I164 PolarHBondContact O-N 3.42Å
161	Q	97	Very high	96.2	Very high	105 Å²	105	105.5 Å²	105.5	49%	0.491	49%	0.489	S	S	.	.	H	α-helix	trans	-56.8	-53.3	174.1	-76.3	165.2	-20.8	0	0	111.2	N157 K163 I164 E165	N157-Q161 WeakPolarHBondContact O-CB 3.46Å; N157-Q161 VanDerWaalsContact O-CG 3.24Å; N157-Q161 WeakPolarHBondContact O-CG 3.48Å; N157-Q161 PolarHBondContact O-N 2.84Å; Q161-K163 PolarHBondContact O-N 3.5Å; Q161-I164 WeakPolarHBondContact O-CB 3.47Å; Q161-I164 PolarHBondContact O-N 3.35Å; Q161-I164 VanDerWaalsContact O-N 3.08Å; Q161-E165 WeakPolarHBondContact O-CG 3.15Å; Q161-E165 PolarHBondContact O-N 2.93Å
162	R	96.4	Very high	96.2	Very high	117 Å²	117	103.8 Å²	103.8	44%	0.442	49%	0.486	S	S	.	.	H	α-helix	trans	-58.9	-32.7	174.6	-69.6	-173	-138.5	106.8	3.8	113.2	R158 N159 N166	R158-R162 WeakPolarHBondContact O-CG 3.33Å; R158-R162 PolarHBondContact O-N 3.46Å; N159-R162 PolarHBondContact OD1-NH1 2.88Å; R162-N166 WeakPolarHBondContact O-CB 3.45Å; R162-N166 PolarHBondContact O-N 3.24Å; R162-N166 PolarHBondContact O-OD1 3.13Å
163	K	96.8	Very high	96.1	Very high	133 Å²	133	103.7 Å²	103.7	58%	0.578	49%	0.485	S	S	*	.	H	α-helix	trans	-72	-37.8	176.4	-169	174.9	-178.8	-178.7	0	111.7	N159 L160 Q161 N166 L167	N159-K163 WeakPolarHBondContact O-CB 3.29Å; N159-K163 PolarHBondContact O-N 3Å; L160-K163 CarbonylContact O-C 3.59Å; L160-K163 PolarHBondContact O-N 2.87Å; L160-K163 VanDerWaalsContact O-N 3.11Å; Q161-K163 PolarHBondContact O-N 3.5Å; K163-N166 PolarHBondContact O-N 3.36Å; K163-L167 HydrophobicContact CG-CD1 4.11Å; K163-L167 WeakPolarHBondContact O-CB 3.38Å; K163-L167 VanDerWaalsContact O-CG 3.27Å; K163-L167 WeakPolarHBondContact O-CG 3.44Å; K163-L167 PolarHBondContact O-N 2.77Å
164	I	96.4	Very high	96.1	Very high	91 Å²	91	104 Å²	104	47%	0.467	49%	0.487	S	S	.	.	H	α-helix	trans	-64.5	-52.1	172.3	-68.6	162.4	0	0	0	109.4	L160 Q161 N166 L167 E168	L160-I164 WeakPolarHBondContact O-CG1 3.35Å; L160-I164 PolarHBondContact O-N 3.42Å; Q161-I164 WeakPolarHBondContact O-CB 3.47Å; Q161-I164 PolarHBondContact O-N 3.35Å; Q161-I164 VanDerWaalsContact O-N 3.08Å; I164-N166 PolarHBondContact O-N 3.49Å; I164-N166 VanDerWaalsContact O-N 3.15Å; I164-L167 PolarHBondContact O-N 2.88Å; I164-L167 VanDerWaalsContact O-N 3.07Å; I164-E168 VanDerWaalsContact CG2-CD 3.5Å; I164-E168 HydrophobicContact CG2-CG 4.07Å; I164-E168 WeakPolarHBondContact CG2-OE1 3.38Å; I164-E168 WeakPolarHBondContact O-CB 3.39Å; I164-E168 WeakPolarHBondContact O-CG 3.48Å; I164-E168 PolarHBondContact O-N 3.32Å
165	E	96.2	Very high	96	Very high	98 Å²	98	106.3 Å²	106.3	46%	0.458	49%	0.494	S	S	.	.	H	α-helix	trans	-56.6	-30.2	175.7	-68.8	164.4	-168.4	0	0	113.6	Q161 R169	Q161-E165 WeakPolarHBondContact O-CG 3.15Å; Q161-E165 PolarHBondContact O-N 2.93Å; E165-R169 WeakPolarHBondContact O-CB 3.28Å; E165-R169 VanDerWaalsContact O-CG 3.23Å; E165-R169 WeakPolarHBondContact O-CG 3.47Å; E165-R169 PolarHBondContact O-N 2.87Å; E165-R169 PolarHBondContact O-NE 3.14Å
166	N	96.5	Very high	95.9	Very high	68 Å²	68	108.4 Å²	108.4	36%	0.364	50%	0.504	S	S	.	.	H	α-helix	trans	-74.6	-51.8	172.4	-74.2	0.8	0	0	0	111.3	R162 K163 I164 E168 R169 E170	R162-N166 WeakPolarHBondContact O-CB 3.45Å; R162-N166 PolarHBondContact O-N 3.24Å; R162-N166 PolarHBondContact O-OD1 3.13Å; K163-N166 PolarHBondContact O-N 3.36Å; I164-N166 PolarHBondContact O-N 3.49Å; I164-N166 VanDerWaalsContact O-N 3.15Å; N166-E168 VanDerWaalsContact C-N 3.32Å; N166-E168 PolarHBondContact O-N 3.03Å; N166-R169 PolarHBondContact O-N 3.01Å; N166-R169 VanDerWaalsContact O-N 3.16Å; N166-R169 PolarHBondContact OD1-NH2 3Å; N166-E170 WeakPolarHBondContact O-CG 3.46Å; N166-E170 PolarHBondContact O-N 2.99Å
167	L	96.3	Very high	95.8	Very high	91 Å²	91	108.1 Å²	108.1	48%	0.476	51%	0.505	S	S	.	.	H	α-helix	trans	-63.5	-35.5	-179.3	-71.8	169.4	0	0	0	112.4	K163 I164 E170 L171	K163-L167 HydrophobicContact CG-CD1 4.11Å; K163-L167 WeakPolarHBondContact O-CB 3.38Å; K163-L167 VanDerWaalsContact O-CG 3.27Å; K163-L167 WeakPolarHBondContact O-CG 3.44Å; K163-L167 PolarHBondContact O-N 2.77Å; I164-L167 PolarHBondContact O-N 2.88Å; I164-L167 VanDerWaalsContact O-N 3.07Å; L167-E170 PolarHBondContact O-N 2.91Å; L167-L171 WeakPolarHBondContact O-CB 3.35Å; L167-L171 PolarHBondContact O-N 2.99Å
168	E	96.4	Very high	95.7	Very high	122 Å²	122	109.1 Å²	109.1	57%	0.57	51%	0.507	S	S	*	.	H	α-helix	trans	-66.2	-40	173.9	-73.4	175.4	163.2	0	0	111.6	I164 N166 S172	I164-E168 VanDerWaalsContact CG2-CD 3.5Å; I164-E168 HydrophobicContact CG2-CG 4.07Å; I164-E168 WeakPolarHBondContact CG2-OE1 3.38Å; I164-E168 WeakPolarHBondContact O-CB 3.39Å; I164-E168 WeakPolarHBondContact O-CG 3.48Å; I164-E168 PolarHBondContact O-N 3.32Å; N166-E168 VanDerWaalsContact C-N 3.32Å; N166-E168 PolarHBondContact O-N 3.03Å; E168-S172 WeakPolarHBondContact O-CB 3.46Å; E168-S172 PolarHBondContact O-N 3.29Å
169	R	96.1	Very high	95.6	Very high	162 Å²	162	108.2 Å²	108.2	61%	0.611	51%	0.51	S	S	*	.	H	α-helix	trans	-69.3	-40.4	174.3	-74.9	-176.4	-65	163.8	-1.2	112.2	E165 N166 K173	E165-R169 WeakPolarHBondContact O-CB 3.28Å; E165-R169 VanDerWaalsContact O-CG 3.23Å; E165-R169 WeakPolarHBondContact O-CG 3.47Å; E165-R169 PolarHBondContact O-N 2.87Å; E165-R169 PolarHBondContact O-NE 3.14Å; N166-R169 PolarHBondContact O-N 3.01Å; N166-R169 VanDerWaalsContact O-N 3.16Å; N166-R169 PolarHBondContact OD1-NH2 3Å; R169-K173 VanDerWaalsContact O-CB 3.31Å; R169-K173 WeakPolarHBondContact O-CB 3.2Å; R169-K173 PolarHBondContact O-N 3.09Å
170	E	96.2	Very high	95.4	Very high	99 Å²	99	107.3 Å²	107.3	46%	0.463	51%	0.513	S	S	.	.	H	α-helix	trans	-63.1	-48.9	174.3	-73.7	166.9	-157.2	0	0	111	N166 L167 K173 Y174	N166-E170 WeakPolarHBondContact O-CG 3.46Å; N166-E170 PolarHBondContact O-N 2.99Å; L167-E170 PolarHBondContact O-N 2.91Å; E170-K173 PolarHBondContact O-N 3.35Å; E170-K173 VanDerWaalsContact O-N 3.12Å; E170-Y174 HydrophobicContact CB-CE2 4.43Å; E170-Y174 WeakPolarHBondContact O-CD2 3.05Å; E170-Y174 PolarHBondContact O-N 3.37Å
171	L	95.3	Very high	95.3	Very high	120 Å²	120	110 Å²	110	63%	0.628	52%	0.517	S	S	*	.	H	α-helix	trans	-63.6	-43.4	177.9	-165.9	165.3	0	0	0	111.3	L167 K173 Y174 K175	L167-L171 WeakPolarHBondContact O-CB 3.35Å; L167-L171 PolarHBondContact O-N 2.99Å; L171-K173 PolarHBondContact O-N 2.79Å; L171-Y174 PolarHBondContact O-N 3.04Å; L171-K175 VanDerWaalsContact O-CB 3.29Å; L171-K175 WeakPolarHBondContact O-CB 3.12Å; L171-K175 PolarHBondContact O-N 3.15Å
172	S	95.3	Very high	95.1	Very high	75 Å²	75	109.5 Å²	109.5	52%	0.524	52%	0.515	S	S	.	.	H	α-helix	trans	-60.9	-34.4	173.5	-173.5	0	0	0	0	112.3	E168 Q176	E168-S172 WeakPolarHBondContact O-CB 3.46Å; E168-S172 PolarHBondContact O-N 3.29Å; S172-Q176 WeakPolarHBondContact O-CB 3.4Å; S172-Q176 PolarHBondContact O-N 3.18Å
173	K	95.5	Very high	94.9	Very high	133 Å²	133	107.1 Å²	107.1	58%	0.578	52%	0.515	S	S	*	.	H	α-helix	trans	-75	-49.1	178	-163.5	-174.8	179.9	-165.3	0	111.6	R169 E170 L171 K175 Q176 D177	R169-K173 VanDerWaalsContact O-CB 3.31Å; R169-K173 WeakPolarHBondContact O-CB 3.2Å; R169-K173 PolarHBondContact O-N 3.09Å; E170-K173 PolarHBondContact O-N 3.35Å; E170-K173 VanDerWaalsContact O-N 3.12Å; L171-K173 PolarHBondContact O-N 2.79Å; K173-K175 PolarHBondContact O-N 2.79Å; K173-Q176 PolarHBondContact O-N 2.92Å; K173-D177 WeakPolarHBondContact O-CB 3.41Å; K173-D177 VanDerWaalsContact O-CG 3.24Å; K173-D177 PolarHBondContact O-N 3.18Å
174	Y	94.5	Very high	94.8	Very high	170 Å²	170	106 Å²	106	67%	0.667	51%	0.514	S	S	*	.	H	α-helix	trans	-57.1	-35.4	172.6	-75.6	-61.4	0	0	0	112.3	E170 L171 H178	E170-Y174 HydrophobicContact CB-CE2 4.43Å; E170-Y174 WeakPolarHBondContact O-CD2 3.05Å; E170-Y174 PolarHBondContact O-N 3.37Å; L171-Y174 PolarHBondContact O-N 3.04Å; Y174-H178 VanDerWaalsContact O-CB 3.25Å; Y174-H178 WeakPolarHBondContact O-CB 3.39Å; Y174-H178 PolarHBondContact O-N 3.12Å
175	K	95.3	Very high	94.8	Very high	123 Å²	123	105.8 Å²	105.8	54%	0.535	51%	0.514	S	S	.	.	H	α-helix	trans	-66.5	-49.1	172.4	-173.2	-176.4	174.8	-169.9	0	111.5	L171 K173 D177 H178 D179	L171-K175 VanDerWaalsContact O-CB 3.29Å; L171-K175 WeakPolarHBondContact O-CB 3.12Å; L171-K175 PolarHBondContact O-N 3.15Å; K173-K175 PolarHBondContact O-N 2.79Å; K175-D177 VanDerWaalsContact C-N 3.3Å; K175-D177 PolarHBondContact O-N 2.85Å; K175-H178 PolarHBondContact O-N 3.31Å; K175-D179 VanDerWaalsContact CE-OD2 3.23Å; K175-D179 WeakPolarHBondContact CE-OD2 3.43Å; K175-D179 WeakPolarHBondContact O-CB 3.34Å; K175-D179 PolarHBondContact O-N 3.31Å
176	Q	94.3	Very high	94.7	Very high	131 Å²	131	104.4 Å²	104.4	61%	0.612	52%	0.515	S	S	*	.	H	α-helix	trans	-58.5	-43.1	176.9	-179.3	178.7	1.2	0	0	111.9	S172 K173 D179 A180	S172-Q176 WeakPolarHBondContact O-CB 3.4Å; S172-Q176 PolarHBondContact O-N 3.18Å; K173-Q176 PolarHBondContact O-N 2.92Å; Q176-D179 PolarHBondContact O-N 2.91Å; Q176-A180 WeakPolarHBondContact O-CB 3.26Å; Q176-A180 PolarHBondContact O-N 2.6Å
177	D	94	Very high	94.7	Very high	66 Å²	66	106 Å²	106	35%	0.353	52%	0.523	S	S	.	.	H	α-helix	trans	-63.6	-44.8	176.8	-64.1	-26.2	0	0	0	110	K173 K175 A180 Y181	K173-D177 WeakPolarHBondContact O-CB 3.41Å; K173-D177 VanDerWaalsContact O-CG 3.24Å; K173-D177 PolarHBondContact O-N 3.18Å; K175-D177 VanDerWaalsContact C-N 3.3Å; K175-D177 PolarHBondContact O-N 2.85Å; D177-A180 CarbonylContact O-C 3.59Å; D177-A180 PolarHBondContact O-N 3.47Å; D177-Y181 HydrophobicContact CB-CE2 4.33Å; D177-Y181 WeakPolarHBondContact O-CD2 3.22Å; D177-Y181 PolarHBondContact O-N 3Å
178	H	92.6	Very high	94.7	Very high	101 Å²	101	108.1 Å²	108.1	47%	0.468	53%	0.526	S	S	.	.	H	α-helix	trans	-61.7	-48.2	175	-177	89.9	0	0	0	112.9	Y174 K175 A180 Y181 Q182	Y174-H178 VanDerWaalsContact O-CB 3.25Å; Y174-H178 WeakPolarHBondContact O-CB 3.39Å; Y174-H178 PolarHBondContact O-N 3.12Å; K175-H178 PolarHBondContact O-N 3.31Å; H178-A180 PolarHBondContact O-N 2.83Å; H178-Y181 PolarHBondContact O-N 3.01Å; H178-Q182 PolarHBondContact CE1-NE2 2.96Å; H178-Q182 PolarHBondContact NE2-NE2 2.92Å; H178-Q182 WeakPolarHBondContact O-CG 3.35Å; H178-Q182 PolarHBondContact O-N 3.35Å
179	D	93.4	Very high	94.7	Very high	89 Å²	89	106.1 Å²	106.1	48%	0.476	52%	0.517	S	S	.	.	H	α-helix	trans	-61.5	-25.6	177.8	-68.5	-14.1	0	0	0	111.3	K175 Q176 P183	K175-D179 VanDerWaalsContact CE-OD2 3.23Å; K175-D179 WeakPolarHBondContact CE-OD2 3.43Å; K175-D179 WeakPolarHBondContact O-CB 3.34Å; K175-D179 PolarHBondContact O-N 3.31Å; Q176-D179 PolarHBondContact O-N 2.91Å; D179-P183 WeakPolarHBondContact O-CD 3.3Å
180	A	92.8	Very high	94.7	Very high	59 Å²	59	101.2 Å²	101.2	49%	0.488	51%	0.505	S	S	.	.	H	α-helix	trans	-85.5	-30.1	172	0	0	0	0	0	114	Q176 D177 H178 P183	Q176-A180 WeakPolarHBondContact O-CB 3.26Å; Q176-A180 PolarHBondContact O-N 2.6Å; D177-A180 CarbonylContact O-C 3.59Å; D177-A180 PolarHBondContact O-N 3.47Å; H178-A180 PolarHBondContact O-N 2.83Å; A180-P183 WeakPolarHBondContact O-CD 3.47Å; A180-P183 WeakPolarHBondContact O-CG 3.48Å
181	Y	94	Very high	94.7	Very high	157 Å²	157	102 Å²	102	62%	0.616	51%	0.511	S	S	*	.	H	α-helix	trans	-70.6	-30.9	174	-80.4	-61.5	0	0	0	112.9	D177 H178 L184 L185	D177-Y181 HydrophobicContact CB-CE2 4.33Å; D177-Y181 WeakPolarHBondContact O-CD2 3.22Å; D177-Y181 PolarHBondContact O-N 3Å; H178-Y181 PolarHBondContact O-N 3.01Å; Y181-L184 HydrophobicContact CD1-CD2 4.47Å; Y181-L184 PolarHBondContact O-N 3.5Å; Y181-L185 VanDerWaalsContact O-CB 3.29Å; Y181-L185 WeakPolarHBondContact O-CB 3.34Å; Y181-L185 PolarHBondContact O-N 2.82Å
182	Q	92.6	Very high	94.8	Very high	95 Å²	95	99.4 Å²	99.4	44%	0.444	50%	0.496	S	S	.	.	H	α-helix	trans	-57.5	-54.8	177.7	-67.8	-57.9	-30.7	0	0	114	H178 L184 L185 S186	H178-Q182 PolarHBondContact CE1-NE2 2.96Å; H178-Q182 PolarHBondContact NE2-NE2 2.92Å; H178-Q182 WeakPolarHBondContact O-CG 3.35Å; H178-Q182 PolarHBondContact O-N 3.35Å; Q182-L184 PolarHBondContact O-N 3.12Å; Q182-L185 PolarHBondContact O-N 2.86Å; Q182-S186 PolarHBondContact O-N 3.01Å; Q182-S186 VanDerWaalsContact O-N 3.09Å
183	P	93.5	Very high	94.9	Very high	67 Å²	67	101.7 Å²	101.7	44%	0.435	50%	0.496	S	S	.	.	H	α-helix	trans	-64.8	-39	176.2	25.4	-33.9	0	0	0	111.7	D179 A180 L185 S186 D187	D179-P183 WeakPolarHBondContact O-CD 3.3Å; A180-P183 WeakPolarHBondContact O-CD 3.47Å; A180-P183 WeakPolarHBondContact O-CG 3.48Å; P183-L185 VanDerWaalsContact C-N 3.31Å; P183-L185 PolarHBondContact O-N 3.17Å; P183-S186 WeakPolarHBondContact O-CB 3.19Å; P183-S186 PolarHBondContact O-N 3.02Å; P183-S186 VanDerWaalsContact O-N 3.15Å; P183-D187 WeakPolarHBondContact O-CB 3.28Å; P183-D187 VanDerWaalsContact O-CG 3.32Å; P183-D187 PolarHBondContact O-N 3.05Å
184	L	94.5	Very high	95	Very high	109 Å²	109	102.7 Å²	102.7	57%	0.571	50%	0.497	S	S	*	.	H	α-helix	trans	-63.8	-34.7	179.2	-174.4	64.1	0	0	0	112.9	Y181 Q182 Y188	Y181-L184 HydrophobicContact CD1-CD2 4.47Å; Y181-L184 PolarHBondContact O-N 3.5Å; Q182-L184 PolarHBondContact O-N 3.12Å; L184-Y188 VanDerWaalsContact O-CB 3.32Å; L184-Y188 WeakPolarHBondContact O-CB 3.41Å; L184-Y188 PolarHBondContact O-N 2.89Å
185	L	95.8	Very high	95.1	Very high	87 Å²	87	101.4 Å²	101.4	46%	0.455	50%	0.495	S	S	.	.	H	α-helix	trans	-71.3	-38.6	173.6	-178.5	62.1	0	0	0	111.9	Y181 Q182 P183 Y188 H189	Y181-L185 VanDerWaalsContact O-CB 3.29Å; Y181-L185 WeakPolarHBondContact O-CB 3.34Å; Y181-L185 PolarHBondContact O-N 2.82Å; Q182-L185 PolarHBondContact O-N 2.86Å; P183-L185 VanDerWaalsContact C-N 3.31Å; P183-L185 PolarHBondContact O-N 3.17Å; L185-Y188 PolarHBondContact O-N 3.12Å; L185-H189 PolarHBondContact O-CD2 2.76Å; L185-H189 VanDerWaalsContact O-CD2 3.23Å; L185-H189 PolarHBondContact O-N 3.1Å
186	S	94.1	Very high	95.2	Very high	69 Å²	69	98.9 Å²	98.9	48%	0.483	49%	0.485	S	S	.	.	H	α-helix	trans	-61.7	-47.4	171.7	179.8	0	0	0	0	111.4	Q182 P183 Y188 H189 V190	Q182-S186 PolarHBondContact O-N 3.01Å; Q182-S186 VanDerWaalsContact O-N 3.09Å; P183-S186 WeakPolarHBondContact O-CB 3.19Å; P183-S186 PolarHBondContact O-N 3.02Å; P183-S186 VanDerWaalsContact O-N 3.15Å; S186-Y188 VanDerWaalsContact C-N 3.34Å; S186-Y188 PolarHBondContact O-N 3.19Å; S186-H189 PolarHBondContact O-N 3.4Å; S186-V190 WeakPolarHBondContact O-CG2 3.39Å; S186-V190 PolarHBondContact O-N 3.41Å
187	D	95.8	Very high	95.3	Very high	101 Å²	101	97.5 Å²	97.5	54%	0.54	48%	0.478	S	S	.	.	H	α-helix	trans	-64.8	-37.8	178.3	-71	-20.1	0	0	0	111.5	P183 V190 L191	P183-D187 WeakPolarHBondContact O-CB 3.28Å; P183-D187 VanDerWaalsContact O-CG 3.32Å; P183-D187 PolarHBondContact O-N 3.05Å; D187-V190 PolarHBondContact O-N 2.85Å; D187-L191 VanDerWaalsContact O-CB 3.3Å; D187-L191 WeakPolarHBondContact O-CB 3.44Å; D187-L191 PolarHBondContact O-N 3.38Å
188	Y	95.9	Very high	95.4	Very high	135 Å²	135	100.4 Å²	100.4	53%	0.529	49%	0.491	S	S	.	.	H	α-helix	trans	-58.6	-52.1	171.2	-179.4	-95.8	0	0	0	111.2	L184 L185 S186 V190 L191 E192	L184-Y188 VanDerWaalsContact O-CB 3.32Å; L184-Y188 WeakPolarHBondContact O-CB 3.41Å; L184-Y188 PolarHBondContact O-N 2.89Å; L185-Y188 PolarHBondContact O-N 3.12Å; S186-Y188 VanDerWaalsContact C-N 3.34Å; S186-Y188 PolarHBondContact O-N 3.19Å; Y188-V190 VanDerWaalsContact C-N 3.28Å; Y188-V190 PolarHBondContact O-N 3.07Å; Y188-L191 PolarHBondContact O-N 3.37Å; Y188-L191 VanDerWaalsContact O-N 3.1Å; Y188-E192 WeakPolarHBondContact CE1-OE1 3.41Å; Y188-E192 WeakPolarHBondContact O-CB 3.44Å; Y188-E192 PolarHBondContact O-N 3.44Å
189	H	96.5	Very high	95.7	Very high	81 Å²	81	100.6 Å²	100.6	38%	0.375	49%	0.491	S	S	.	.	H	α-helix	trans	-66.6	-25.1	178.7	-70.8	-45.5	0	0	0	113.9	L185 S186 E192 K193	L185-H189 PolarHBondContact O-CD2 2.76Å; L185-H189 VanDerWaalsContact O-CD2 3.23Å; L185-H189 PolarHBondContact O-N 3.1Å; S186-H189 PolarHBondContact O-N 3.4Å; H189-E192 IonicContact CE1-OE2 2.7Å; H189-E192 IonicContact CG-OE2 2.65Å; H189-E192 IonicContact ND1-OE2 2.66Å; H189-E192 PolarHBondContact ND1-OE2 2.91Å; H189-K193 WeakPolarHBondContact O-CB 3.41Å; H189-K193 WeakPolarHBondContact O-CD 3.44Å; H189-K193 VanDerWaalsContact O-CG 3.23Å; H189-K193 WeakPolarHBondContact O-CG 3.3Å; H189-K193 PolarHBondContact O-N 2.9Å
190	V	96.7	Very high	95.9	Very high	59 Å²	59	102.9 Å²	102.9	36%	0.358	49%	0.493	S	S	.	.	H	α-helix	trans	-74.3	-39.4	170.7	169	0	0	0	0	111	S186 D187 Y188 R194	S186-V190 WeakPolarHBondContact O-CG2 3.39Å; S186-V190 PolarHBondContact O-N 3.41Å; D187-V190 PolarHBondContact O-N 2.85Å; Y188-V190 VanDerWaalsContact C-N 3.28Å; Y188-V190 PolarHBondContact O-N 3.07Å; V190-R194 WeakPolarHBondContact O-CB 3.26Å; V190-R194 VanDerWaalsContact O-CG 3.25Å; V190-R194 WeakPolarHBondContact O-CG 3.09Å; V190-R194 PolarHBondContact O-N 3Å; V190-R194 VanDerWaalsContact O-N 3.07Å
191	L	96.4	Very high	96.1	Very high	115 Å²	115	104.9 Å²	104.9	60%	0.602	50%	0.495	S	S	*	.	H	α-helix	trans	-71.2	-39.2	177.9	-174.4	62.1	0	0	0	112.2	D187 Y188 R194 F195	D187-L191 VanDerWaalsContact O-CB 3.3Å; D187-L191 WeakPolarHBondContact O-CB 3.44Å; D187-L191 PolarHBondContact O-N 3.38Å; Y188-L191 PolarHBondContact O-N 3.37Å; Y188-L191 VanDerWaalsContact O-N 3.1Å; L191-R194 PolarHBondContact O-N 3.03Å; L191-F195 VanDerWaalsContact O-CB 3.32Å; L191-F195 WeakPolarHBondContact O-CB 3.29Å; L191-F195 PolarHBondContact O-N 3.07Å
192	E	97.3	Very high	96.3	Very high	65 Å²	65	102.8 Å²	102.8	30%	0.304	49%	0.494	S	S	.	.	H	α-helix	trans	-58.5	-53.3	173.6	-177.4	174	-128.7	0	0	110.7	Y188 H189 R194 F195 E196	Y188-E192 WeakPolarHBondContact CE1-OE1 3.41Å; Y188-E192 WeakPolarHBondContact O-CB 3.44Å; Y188-E192 PolarHBondContact O-N 3.44Å; H189-E192 IonicContact CE1-OE2 2.7Å; H189-E192 IonicContact CG-OE2 2.65Å; H189-E192 IonicContact ND1-OE2 2.66Å; H189-E192 PolarHBondContact ND1-OE2 2.91Å; E192-R194 PolarHBondContact O-N 3Å; E192-F195 WeakPolarHBondContact O-CB 3.43Å; E192-F195 PolarHBondContact O-N 3.37Å; E192-F195 VanDerWaalsContact O-N 3.17Å; E192-E196 WeakPolarHBondContact O-CG 3.36Å; E192-E196 PolarHBondContact O-N 3.42Å
193	K	97.1	Very high	96.5	Very high	124 Å²	124	102.7 Å²	102.7	54%	0.539	49%	0.494	S	S	.	.	H	α-helix	trans	-57.3	-47	173.9	-74.3	171.4	-174.6	175.6	0	112.8	H189 F195 E196 E197	H189-K193 WeakPolarHBondContact O-CB 3.41Å; H189-K193 WeakPolarHBondContact O-CD 3.44Å; H189-K193 VanDerWaalsContact O-CG 3.23Å; H189-K193 WeakPolarHBondContact O-CG 3.3Å; H189-K193 PolarHBondContact O-N 2.9Å; K193-F195 VanDerWaalsContact C-N 3.31Å; K193-F195 PolarHBondContact O-N 3.41Å; K193-E196 CarbonylContact O-C 3.59Å; K193-E196 PolarHBondContact O-N 2.77Å; K193-E196 VanDerWaalsContact O-N 3.16Å; K193-E197 WeakPolarHBondContact O-CB 3.27Å; K193-E197 VanDerWaalsContact O-CG 3.26Å; K193-E197 WeakPolarHBondContact O-CG 3.23Å; K193-E197 PolarHBondContact O-N 2.67Å
194	R	97.4	Very high	96.6	Very high	154 Å²	154	102.2 Å²	102.2	58%	0.581	50%	0.495	S	S	*	.	H	α-helix	trans	-62.6	-36.3	177.4	-76.8	173.4	177.4	-179.1	1.7	112.9	V190 L191 E192 E196 E197 M198	V190-R194 WeakPolarHBondContact O-CB 3.26Å; V190-R194 VanDerWaalsContact O-CG 3.25Å; V190-R194 WeakPolarHBondContact O-CG 3.09Å; V190-R194 PolarHBondContact O-N 3Å; V190-R194 VanDerWaalsContact O-N 3.07Å; L191-R194 PolarHBondContact O-N 3.03Å; E192-R194 PolarHBondContact O-N 3Å; R194-E196 VanDerWaalsContact C-N 3.34Å; R194-E197 WeakPolarHBondContact CA-OE2 3.37Å; R194-M198 VanDerWaalsContact O-CB 3.31Å; R194-M198 WeakPolarHBondContact O-CB 3.47Å; R194-M198 VanDerWaalsContact O-CG 3.27Å; R194-M198 WeakPolarHBondContact O-CG 3.32Å; R194-M198 PolarHBondContact O-N 3Å
195	F	97.1	Very high	96.7	Very high	142 Å²	142	102.5 Å²	102.5	62%	0.623	49%	0.494	S	S	*	.	H	α-helix	trans	-65.8	-40	175	175.2	-100.2	0	0	0	111	L191 E192 K193 K199	L191-F195 VanDerWaalsContact O-CB 3.32Å; L191-F195 WeakPolarHBondContact O-CB 3.29Å; L191-F195 PolarHBondContact O-N 3.07Å; E192-F195 WeakPolarHBondContact O-CB 3.43Å; E192-F195 PolarHBondContact O-N 3.37Å; E192-F195 VanDerWaalsContact O-N 3.17Å; K193-F195 VanDerWaalsContact C-N 3.31Å; K193-F195 PolarHBondContact O-N 3.41Å; F195-K199 WeakPolarHBondContact O-CB 3.3Å; F195-K199 PolarHBondContact O-N 2.9Å
196	E	97.5	Very high	96.7	Very high	71 Å²	71	101.5 Å²	101.5	33%	0.332	49%	0.491	S	S	.	.	H	α-helix	trans	-75.5	-31.6	177.2	-66.3	161.7	-168.3	0	0	113.4	E192 K193 R194 R200	E192-E196 WeakPolarHBondContact O-CG 3.36Å; E192-E196 PolarHBondContact O-N 3.42Å; K193-E196 CarbonylContact O-C 3.59Å; K193-E196 PolarHBondContact O-N 2.77Å; K193-E196 VanDerWaalsContact O-N 3.16Å; R194-E196 VanDerWaalsContact C-N 3.34Å; E196-R200 WeakPolarHBondContact O-CB 3.44Å; E196-R200 VanDerWaalsContact O-CG 3.26Å; E196-R200 WeakPolarHBondContact O-CG 3.3Å; E196-R200 PolarHBondContact O-N 3.48Å; E196-R200 PolarHBondContact O-NH1 2.82Å; E196-R200 IonicContact OE2-NH2 3.76Å
197	E	97.3	Very high	96.9	Very high	101 Å²	101	103.5 Å²	103.5	47%	0.472	50%	0.496	S	S	.	.	H	α-helix	trans	-61.4	-59.3	168	-73.5	160	-178.5	0	0	109.4	K193 R194 K199 R200 D201	K193-E197 WeakPolarHBondContact O-CB 3.27Å; K193-E197 VanDerWaalsContact O-CG 3.26Å; K193-E197 WeakPolarHBondContact O-CG 3.23Å; K193-E197 PolarHBondContact O-N 2.67Å; R194-E197 WeakPolarHBondContact CA-OE2 3.37Å; E197-K199 PolarHBondContact O-N 2.81Å; E197-K199 VanDerWaalsContact O-N 3.13Å; E197-R200 PolarHBondContact O-N 3.42Å; E197-D201 PolarHBondContact O-N 3.03Å
198	M	96.1	Very high	96.9	Very high	128 Å²	128	103 Å²	103	63%	0.631	49%	0.493	S	S	*	.	H	α-helix	trans	-55.8	-33.3	176	-74.3	-62	-45.7	0	0	113.4	R194 L202	R194-M198 VanDerWaalsContact O-CB 3.31Å; R194-M198 WeakPolarHBondContact O-CB 3.47Å; R194-M198 VanDerWaalsContact O-CG 3.27Å; R194-M198 WeakPolarHBondContact O-CG 3.32Å; R194-M198 PolarHBondContact O-N 3Å; M198-L202 VanDerWaalsContact O-CB 3.31Å; M198-L202 WeakPolarHBondContact O-CB 3.05Å; M198-L202 PolarHBondContact O-N 2.84Å
199	K	97.7	Very high	97	Very high	104 Å²	104	103.1 Å²	103.1	45%	0.452	49%	0.493	S	S	.	.	H	α-helix	trans	-70	-45.1	175.1	-179.7	-179.5	166.3	-175.6	0	111.7	F195 E197 D201 L202 E203	F195-K199 WeakPolarHBondContact O-CB 3.3Å; F195-K199 PolarHBondContact O-N 2.9Å; E197-K199 PolarHBondContact O-N 2.81Å; E197-K199 VanDerWaalsContact O-N 3.13Å; K199-D201 VanDerWaalsContact C-N 3.31Å; K199-L202 PolarHBondContact O-N 2.92Å; K199-E203 WeakPolarHBondContact CE-OE1 3.33Å; K199-E203 IonicContact NZ-OE1 3.34Å; K199-E203 WeakPolarHBondContact O-CB 3.37Å; K199-E203 WeakPolarHBondContact O-CG 3.31Å; K199-E203 PolarHBondContact O-N 2.61Å
200	R	97.5	Very high	97	Very high	137 Å²	137	102.3 Å²	102.3	52%	0.517	49%	0.493	S	S	.	.	H	α-helix	trans	-64.1	-38.4	175.5	-72.3	175.3	-158.5	99.6	1	111.3	E196 E197 E203 A204	E196-R200 WeakPolarHBondContact O-CB 3.44Å; E196-R200 VanDerWaalsContact O-CG 3.26Å; E196-R200 WeakPolarHBondContact O-CG 3.3Å; E196-R200 PolarHBondContact O-N 3.48Å; E196-R200 PolarHBondContact O-NH1 2.82Å; E196-R200 IonicContact OE2-NH2 3.76Å; E197-R200 PolarHBondContact O-N 3.42Å; R200-E203 PolarHBondContact O-N 2.95Å; R200-A204 WeakPolarHBondContact O-CB 3.41Å; R200-A204 PolarHBondContact O-N 2.96Å
201	D	97.7	Very high	97.1	Very high	101 Å²	101	104.6 Å²	104.6	54%	0.54	50%	0.504	S	S	.	.	H	α-helix	trans	-65.6	-40.3	176.2	-65.8	-18.8	0	0	0	111.3	E197 K199 A204 E205	E197-D201 PolarHBondContact O-N 3.03Å; K199-D201 VanDerWaalsContact C-N 3.31Å; D201-A204 PolarHBondContact O-N 2.9Å; D201-E205 WeakPolarHBondContact O-CB 3.4Å; D201-E205 PolarHBondContact O-N 2.95Å
202	L	97.3	Very high	97	Very high	113 Å²	113	103.6 Å²	103.6	59%	0.592	50%	0.498	S	S	*	.	H	α-helix	trans	-66.4	-39.9	173	179.5	63.4	0	0	0	112.5	M198 K199 T206	M198-L202 VanDerWaalsContact O-CB 3.31Å; M198-L202 WeakPolarHBondContact O-CB 3.05Å; M198-L202 PolarHBondContact O-N 2.84Å; K199-L202 PolarHBondContact O-N 2.92Å; L202-T206 HydrophobicContact CD1-CG2 4.25Å; L202-T206 WeakPolarHBondContact O-CB 3.34Å; L202-T206 WeakPolarHBondContact O-CG2 3.49Å; L202-T206 PolarHBondContact O-N 2.9Å; L202-T206 PolarHBondContact O-OG1 2.92Å
203	E	96.6	Very high	97	Very high	94 Å²	94	104.6 Å²	104.6	44%	0.439	50%	0.503	S	S	.	.	H	α-helix	trans	-65.3	-39.9	174.8	-74.6	171.3	171.6	0	0	111	K199 R200 T206 L207	K199-E203 WeakPolarHBondContact CE-OE1 3.33Å; K199-E203 IonicContact NZ-OE1 3.34Å; K199-E203 WeakPolarHBondContact O-CB 3.37Å; K199-E203 WeakPolarHBondContact O-CG 3.31Å; K199-E203 PolarHBondContact O-N 2.61Å; R200-E203 PolarHBondContact O-N 2.95Å; E203-T206 WeakPolarHBondContact CA-OG1 3.4Å; E203-T206 PolarHBondContact O-OG1 3.26Å; E203-T206 VanDerWaalsContact O-OG1 3.08Å; E203-L207 VanDerWaalsContact O-CG 3.3Å; E203-L207 WeakPolarHBondContact O-CG 3.05Å; E203-L207 PolarHBondContact O-N 2.61Å; E203-L207 VanDerWaalsContact O-N 3.15Å
204	A	97.3	Very high	97	Very high	57 Å²	57	103.5 Å²	103.5	47%	0.471	50%	0.503	S	S	.	.	H	α-helix	trans	-68.4	-45.2	175.7	0	0	0	0	0	112.7	R200 D201 L207 L208	R200-A204 WeakPolarHBondContact O-CB 3.41Å; R200-A204 PolarHBondContact O-N 2.96Å; D201-A204 PolarHBondContact O-N 2.9Å; A204-L207 PolarHBondContact O-N 2.83Å; A204-L208 WeakPolarHBondContact O-CB 3.41Å; A204-L208 PolarHBondContact O-N 2.81Å
205	E	96.5	Very high	97	Very high	114 Å²	114	101.7 Å²	101.7	53%	0.533	50%	0.499	S	S	.	.	H	α-helix	trans	-66.5	-36	177.5	179.3	59.1	-158.4	0	0	111.7	D201 L208 R209	D201-E205 WeakPolarHBondContact O-CB 3.4Å; D201-E205 PolarHBondContact O-N 2.95Å; E205-L208 PolarHBondContact O-N 3.17Å; E205-R209 WeakPolarHBondContact O-CB 3.26Å; E205-R209 PolarHBondContact O-N 3.23Å
206	T	96.1	Very high	97	Very high	66 Å²	66	99.2 Å²	99.2	41%	0.405	49%	0.491	S	S	.	.	H	α-helix	trans	-68.9	-35.6	175.3	48.5	0	0	0	0	112.7	L202 E203 T210	L202-T206 HydrophobicContact CD1-CG2 4.25Å; L202-T206 WeakPolarHBondContact O-CB 3.34Å; L202-T206 WeakPolarHBondContact O-CG2 3.49Å; L202-T206 PolarHBondContact O-N 2.9Å; L202-T206 PolarHBondContact O-OG1 2.92Å; E203-T206 WeakPolarHBondContact CA-OG1 3.4Å; E203-T206 PolarHBondContact O-OG1 3.26Å; E203-T206 VanDerWaalsContact O-OG1 3.08Å; T206-T210 WeakPolarHBondContact O-CG2 3.4Å; T206-T210 PolarHBondContact O-N 3.29Å; T206-T210 VanDerWaalsContact O-N 3.08Å; T206-T210 PolarHBondContact O-OG1 3.4Å
207	L	96.6	Very high	97	Very high	112 Å²	112	100.1 Å²	100.1	59%	0.586	50%	0.498	S	S	*	.	H	α-helix	trans	-67.3	-46.7	170.7	-70.7	170.2	0	0	0	112.1	E203 A204 R209 T210 D211	E203-L207 VanDerWaalsContact O-CG 3.3Å; E203-L207 WeakPolarHBondContact O-CG 3.05Å; E203-L207 PolarHBondContact O-N 2.61Å; E203-L207 VanDerWaalsContact O-N 3.15Å; A204-L207 PolarHBondContact O-N 2.83Å; L207-R209 VanDerWaalsContact C-N 3.29Å; L207-R209 PolarHBondContact O-N 3.1Å; L207-T210 PolarHBondContact O-N 3.47Å; L207-T210 PolarHBondContact O-OG1 3.24Å; L207-D211 PolarHBondContact O-N 3.22Å
208	L	97.3	Very high	96.9	Very high	90 Å²	90	96.2 Å²	96.2	47%	0.471	49%	0.485	S	S	.	.	H	α-helix	trans	-59.5	-41.9	176.7	177.7	59.9	0	0	0	111.2	A204 E205 D211 L212	A204-L208 WeakPolarHBondContact O-CB 3.41Å; A204-L208 PolarHBondContact O-N 2.81Å; E205-L208 PolarHBondContact O-N 3.17Å; L208-D211 PolarHBondContact O-N 2.77Å; L208-L212 HydrophobicContact CD1-CD1 4.11Å; L208-L212 HydrophobicContact CD1-CG 4.23Å; L208-L212 HydrophobicContact CG-CD1 4.05Å; L208-L212 WeakPolarHBondContact O-CB 3.44Å; L208-L212 VanDerWaalsContact O-CG 3.26Å; L208-L212 WeakPolarHBondContact O-CG 3.27Å; L208-L212 PolarHBondContact O-N 3.18Å
209	R	97.1	Very high	97	Very high	138 Å²	138	94.2 Å²	94.2	52%	0.521	48%	0.476	S	S	.	.	H	α-helix	trans	-62.5	-45.6	175.7	179	179.7	160.6	-125.5	-23.1	111.9	E205 L207 L212 E213	E205-R209 WeakPolarHBondContact O-CB 3.26Å; E205-R209 PolarHBondContact O-N 3.23Å; L207-R209 VanDerWaalsContact C-N 3.29Å; L207-R209 PolarHBondContact O-N 3.1Å; R209-L212 PolarHBondContact O-N 2.85Å; R209-E213 HydrophobicContact CG-CG 4.37Å; R209-E213 IonicContact CZ-OE1 3.17Å; R209-E213 IonicContact CZ-OE2 2.77Å; R209-E213 IonicContact NE-OE1 2.69Å; R209-E213 PolarHBondContact NE-OE1 2.95Å; R209-E213 IonicContact NE-OE2 3.65Å; R209-E213 IonicContact NH2-OE1 3.95Å; R209-E213 PolarHBondContact NH2-OE1 3.35Å; R209-E213 IonicContact NH2-OE2 3.82Å; R209-E213 PolarHBondContact NH2-OE2 2.88Å; R209-E213 WeakPolarHBondContact O-CB 3.09Å; R209-E213 WeakPolarHBondContact O-CG 3.46Å; R209-E213 PolarHBondContact O-N 3.43Å
210	T	97.7	Very high	96.9	Very high	63 Å²	63	95 Å²	95	39%	0.387	48%	0.48	S	S	.	.	H	α-helix	trans	-67.8	-36.9	179.2	51.4	0	0	0	0	112	T206 L207 E213 N214	T206-T210 WeakPolarHBondContact O-CG2 3.4Å; T206-T210 PolarHBondContact O-N 3.29Å; T206-T210 VanDerWaalsContact O-N 3.08Å; T206-T210 PolarHBondContact O-OG1 3.4Å; L207-T210 PolarHBondContact O-N 3.47Å; L207-T210 PolarHBondContact O-OG1 3.24Å; T210-E213 PolarHBondContact O-N 3.24Å; T210-N214 VanDerWaalsContact O-CB 3.3Å; T210-N214 WeakPolarHBondContact O-CB 3.38Å; T210-N214 PolarHBondContact O-N 3.45Å; T210-N214 PolarHBondContact O-ND2 3.41Å
211	D	96.9	Very high	96.9	Very high	108 Å²	108	94 Å²	94	58%	0.578	48%	0.481	S	S	*	.	H	α-helix	trans	-63.4	-40.8	172.6	-80.9	-19.3	0	0	0	112.3	L207 L208 K215	L207-D211 PolarHBondContact O-N 3.22Å; L208-D211 PolarHBondContact O-N 2.77Å; D211-K215 VanDerWaalsContact O-CB 3.28Å; D211-K215 WeakPolarHBondContact O-CB 3.32Å; D211-K215 PolarHBondContact O-N 3.05Å
212	L	96.2	Very high	96.9	Very high	94 Å²	94	93.9 Å²	93.9	49%	0.492	48%	0.477	S	S	.	.	H	α-helix	trans	-68.1	-39.8	174.5	-72.1	173	0	0	0	112.4	L208 R209 K215 I216	L208-L212 HydrophobicContact CD1-CD1 4.11Å; L208-L212 HydrophobicContact CD1-CG 4.23Å; L208-L212 HydrophobicContact CG-CD1 4.05Å; L208-L212 WeakPolarHBondContact O-CB 3.44Å; L208-L212 VanDerWaalsContact O-CG 3.26Å; L208-L212 WeakPolarHBondContact O-CG 3.27Å; L208-L212 PolarHBondContact O-N 3.18Å; R209-L212 PolarHBondContact O-N 2.85Å; L212-K215 PolarHBondContact O-N 3.43Å; L212-I216 WeakPolarHBondContact O-CB 3.37Å; L212-I216 WeakPolarHBondContact O-CD1 3.25Å; L212-I216 VanDerWaalsContact O-CG1 3.23Å; L212-I216 WeakPolarHBondContact O-CG1 3.14Å; L212-I216 PolarHBondContact O-N 3.45Å
213	E	97.2	Very high	96.8	Very high	86 Å²	86	94.2 Å²	94.2	40%	0.402	48%	0.479	S	S	.	.	H	α-helix	trans	-64.6	-44.2	175	-76.1	177.4	172.7	0	0	111.5	R209 T210 K215 I216 L217	R209-E213 HydrophobicContact CG-CG 4.37Å; R209-E213 IonicContact CZ-OE1 3.17Å; R209-E213 IonicContact CZ-OE2 2.77Å; R209-E213 IonicContact NE-OE1 2.69Å; R209-E213 PolarHBondContact NE-OE1 2.95Å; R209-E213 IonicContact NE-OE2 3.65Å; R209-E213 IonicContact NH2-OE1 3.95Å; R209-E213 PolarHBondContact NH2-OE1 3.35Å; R209-E213 IonicContact NH2-OE2 3.82Å; R209-E213 PolarHBondContact NH2-OE2 2.88Å; R209-E213 WeakPolarHBondContact O-CB 3.09Å; R209-E213 WeakPolarHBondContact O-CG 3.46Å; R209-E213 PolarHBondContact O-N 3.43Å; T210-E213 PolarHBondContact O-N 3.24Å; E213-K215 VanDerWaalsContact C-N 3.33Å; E213-K215 PolarHBondContact O-N 3.08Å; E213-I216 PolarHBondContact O-N 3.13Å; E213-L217 WeakPolarHBondContact O-CB 3.42Å; E213-L217 PolarHBondContact O-N 2.9Å
214	N	96.2	Very high	96.8	Very high	100 Å²	100	93.4 Å²	93.4	54%	0.535	48%	0.477	S	S	.	.	H	α-helix	trans	-60.2	-41.4	171.9	-73	-32.4	0	0	0	111.6	T210 L217 G218	T210-N214 VanDerWaalsContact O-CB 3.3Å; T210-N214 WeakPolarHBondContact O-CB 3.38Å; T210-N214 PolarHBondContact O-N 3.45Å; T210-N214 PolarHBondContact O-ND2 3.41Å; N214-L217 PolarHBondContact O-N 2.85Å; N214-G218 PolarHBondContact O-N 3.2Å
215	K	97.5	Very high	96.8	Very high	117 Å²	117	97.1 Å²	97.1	51%	0.509	48%	0.483	S	S	.	.	H	α-helix	trans	-68.2	-38.2	177.6	-175.7	55.4	176	173.4	0	112.3	D211 L212 E213 L219	D211-K215 VanDerWaalsContact O-CB 3.28Å; D211-K215 WeakPolarHBondContact O-CB 3.32Å; D211-K215 PolarHBondContact O-N 3.05Å; L212-K215 PolarHBondContact O-N 3.43Å; E213-K215 VanDerWaalsContact C-N 3.33Å; E213-K215 PolarHBondContact O-N 3.08Å; K215-L219 HydrophobicContact CD-CD1 4.32Å; K215-L219 HydrophobicContact CD-CG 4.3Å; K215-L219 HydrophobicContact CG-CD1 4.21Å; K215-L219 VanDerWaalsContact O-CB 3.32Å; K215-L219 WeakPolarHBondContact O-CB 3.44Å; K215-L219 VanDerWaalsContact O-CG 3.24Å; K215-L219 WeakPolarHBondContact O-CG 3.38Å; K215-L219 PolarHBondContact O-N 2.96Å
216	I	96.3	Very high	96.8	Very high	89 Å²	89	99.2 Å²	99.2	46%	0.456	49%	0.486	S	S	.	.	H	α-helix	trans	-65.4	-42.2	173.8	-73.1	163.3	0	0	0	110.5	L212 E213 L219 K220	L212-I216 WeakPolarHBondContact O-CB 3.37Å; L212-I216 WeakPolarHBondContact O-CD1 3.25Å; L212-I216 VanDerWaalsContact O-CG1 3.23Å; L212-I216 WeakPolarHBondContact O-CG1 3.14Å; L212-I216 PolarHBondContact O-N 3.45Å; E213-I216 PolarHBondContact O-N 3.13Å; I216-L219 PolarHBondContact O-N 2.84Å; I216-K220 HydrophobicContact CG2-CD 4.1Å; I216-K220 VanDerWaalsContact O-CG 3.32Å; I216-K220 WeakPolarHBondContact O-CG 3.11Å; I216-K220 PolarHBondContact O-N 3.28Å
217	L	97.4	Very high	96.9	Very high	91 Å²	91	99 Å²	99	48%	0.476	49%	0.487	S	S	.	.	H	α-helix	trans	-61.8	-53.8	176	-179.7	60.5	0	0	0	111.1	E213 N214 L219 K220 E221	E213-L217 WeakPolarHBondContact O-CB 3.42Å; E213-L217 PolarHBondContact O-N 2.9Å; N214-L217 PolarHBondContact O-N 2.85Å; L217-L219 VanDerWaalsContact C-N 3.25Å; L217-L219 PolarHBondContact O-N 3.31Å; L217-K220 WeakPolarHBondContact O-CA 3.34Å; L217-K220 WeakPolarHBondContact O-CB 3.5Å; L217-K220 PolarHBondContact O-N 3.29Å; L217-E221 HydrophobicContact CD1-CG 4.4Å; L217-E221 WeakPolarHBondContact O-CG 3.18Å; L217-E221 PolarHBondContact O-N 3.4Å
218	G	96.2	Very high	96.9	Very high	18 Å²	18	101.3 Å²	101.3	19%	0.186	49%	0.488	C	S	.	.	H	α-helix	trans	-63.3	-27.3	178.6	0	0	0	0	0	114.1	N214 Q222	N214-G218 PolarHBondContact O-N 3.2Å; G218-Q222 WeakPolarHBondContact O-CB 3.09Å; G218-Q222 WeakPolarHBondContact O-CG 3.47Å; G218-Q222 PolarHBondContact O-N 3.48Å; G218-Q222 VanDerWaalsContact O-N 3.12Å; G218-Q222 PolarHBondContact O-NE2 3.22Å
219	L	96.9	Very high	96.8	Very high	86 Å²	86	100.1 Å²	100.1	45%	0.45	48%	0.482	S	S	.	.	H	α-helix	trans	-75.2	-34.9	171	-76.6	173.6	0	0	0	112.8	K215 I216 L217 Q222 L223	K215-L219 HydrophobicContact CD-CD1 4.32Å; K215-L219 HydrophobicContact CD-CG 4.3Å; K215-L219 HydrophobicContact CG-CD1 4.21Å; K215-L219 VanDerWaalsContact O-CB 3.32Å; K215-L219 WeakPolarHBondContact O-CB 3.44Å; K215-L219 VanDerWaalsContact O-CG 3.24Å; K215-L219 WeakPolarHBondContact O-CG 3.38Å; K215-L219 PolarHBondContact O-N 2.96Å; I216-L219 PolarHBondContact O-N 2.84Å; L217-L219 VanDerWaalsContact C-N 3.25Å; L217-L219 PolarHBondContact O-N 3.31Å; L219-Q222 PolarHBondContact O-N 3.32Å; L219-L223 WeakPolarHBondContact O-CB 3.28Å; L219-L223 PolarHBondContact O-N 2.83Å
220	K	97.3	Very high	96.7	Very high	122 Å²	122	99.3 Å²	99.3	53%	0.53	48%	0.482	S	S	.	.	H	α-helix	trans	-66	-46.3	171.7	-74.9	167.3	173.4	176.7	0	111.2	I216 L217 Q222 L223 D224	I216-K220 HydrophobicContact CG2-CD 4.1Å; I216-K220 VanDerWaalsContact O-CG 3.32Å; I216-K220 WeakPolarHBondContact O-CG 3.11Å; I216-K220 PolarHBondContact O-N 3.28Å; L217-K220 WeakPolarHBondContact O-CA 3.34Å; L217-K220 WeakPolarHBondContact O-CB 3.5Å; L217-K220 PolarHBondContact O-N 3.29Å; K220-Q222 VanDerWaalsContact C-N 3.28Å; K220-Q222 PolarHBondContact O-N 3.05Å; K220-L223 WeakPolarHBondContact O-CA 3.14Å; K220-L223 WeakPolarHBondContact O-CB 3.5Å; K220-L223 PolarHBondContact O-N 2.88Å; K220-D224 WeakPolarHBondContact O-CB 3.3Å; K220-D224 PolarHBondContact O-N 3.48Å
221	E	96.5	Very high	96.7	Very high	114 Å²	114	99.1 Å²	99.1	53%	0.533	48%	0.479	S	S	.	.	H	α-helix	trans	-59.8	-38.6	175.6	-69.1	171.9	173	0	0	111.8	L217 F225	L217-E221 HydrophobicContact CD1-CG 4.4Å; L217-E221 WeakPolarHBondContact O-CG 3.18Å; L217-E221 PolarHBondContact O-N 3.4Å; E221-F225 WeakPolarHBondContact O-CB 3.1Å; E221-F225 PolarHBondContact O-N 2.9Å
222	Q	97.3	Very high	96.7	Very high	99 Å²	99	99 Å²	99	46%	0.463	48%	0.475	S	S	.	.	H	α-helix	trans	-69.6	-32.9	173.1	-75	170	38.8	0	0	113.4	G218 L219 K220 R226	G218-Q222 WeakPolarHBondContact O-CB 3.09Å; G218-Q222 WeakPolarHBondContact O-CG 3.47Å; G218-Q222 PolarHBondContact O-N 3.48Å; G218-Q222 VanDerWaalsContact O-N 3.12Å; G218-Q222 PolarHBondContact O-NE2 3.22Å; L219-Q222 PolarHBondContact O-N 3.32Å; K220-Q222 VanDerWaalsContact C-N 3.28Å; K220-Q222 PolarHBondContact O-N 3.05Å; Q222-R226 WeakPolarHBondContact O-CB 3.39Å; Q222-R226 WeakPolarHBondContact O-CG 3.46Å; Q222-R226 PolarHBondContact O-N 3.49Å; Q222-R226 VanDerWaalsContact O-N 3.08Å
223	L	95.6	Very high	96.5	Very high	120 Å²	120	98.9 Å²	98.9	63%	0.628	47%	0.472	S	S	*	.	H	α-helix	trans	-68	-49.8	173.5	-171.4	78.6	0	0	0	110.6	L219 K220 F225 R226 S227	L219-L223 WeakPolarHBondContact O-CB 3.28Å; L219-L223 PolarHBondContact O-N 2.83Å; K220-L223 WeakPolarHBondContact O-CA 3.14Å; K220-L223 WeakPolarHBondContact O-CB 3.5Å; K220-L223 PolarHBondContact O-N 2.88Å; L223-F225 PolarHBondContact O-N 2.84Å; L223-R226 PolarHBondContact O-N 3.36Å; L223-S227 PolarHBondContact O-N 2.86Å
224	D	97.5	Very high	96.3	Very high	77 Å²	77	101.6 Å²	101.6	41%	0.412	48%	0.479	S	S	.	.	H	α-helix	trans	-62	-42.9	179.2	-73.5	0.3	0	0	0	111.5	K220 S227 R228	K220-D224 WeakPolarHBondContact O-CB 3.3Å; K220-D224 PolarHBondContact O-N 3.48Å; D224-S227 PolarHBondContact O-N 3.29Å; D224-R228 VanDerWaalsContact O-CG 3.29Å; D224-R228 WeakPolarHBondContact O-CG 3.47Å; D224-R228 PolarHBondContact O-N 2.91Å; D224-R228 IonicContact OD2-NH2 3.67Å
225	F	97	Very high	96.2	Very high	136 Å²	136	102 Å²	102	60%	0.596	48%	0.477	S	S	*	.	H	α-helix	trans	-61.9	-44.4	173.9	177.1	-96.7	0	0	0	111.7	E221 L223 R228 L229	E221-F225 WeakPolarHBondContact O-CB 3.1Å; E221-F225 PolarHBondContact O-N 2.9Å; L223-F225 PolarHBondContact O-N 2.84Å; F225-R228 PolarHBondContact O-N 3.3Å; F225-L229 HydrophobicContact CE1-CD2 4.3Å; F225-L229 WeakPolarHBondContact O-CB 3.41Å; F225-L229 PolarHBondContact O-N 3.46Å
226	R	96.5	Very high	96.1	Very high	157 Å²	157	100.3 Å²	100.3	59%	0.592	47%	0.47	S	S	*	.	H	α-helix	trans	-66.6	-38.3	177	-76.7	174.7	-179.9	-159.3	0.5	112.5	Q222 L223 L229 F230	Q222-R226 WeakPolarHBondContact O-CB 3.39Å; Q222-R226 WeakPolarHBondContact O-CG 3.46Å; Q222-R226 PolarHBondContact O-N 3.49Å; Q222-R226 VanDerWaalsContact O-N 3.08Å; L223-R226 PolarHBondContact O-N 3.36Å; R226-L229 PolarHBondContact O-N 3.1Å; R226-F230 HydrophobicContact CB-CD2 4.47Å; R226-F230 HydrophobicContact CB-CE2 4.3Å; R226-F230 WeakPolarHBondContact O-CB 3.37Å; R226-F230 WeakPolarHBondContact O-CD2 3.44Å; R226-F230 WeakPolarHBondContact O-CG 3.38Å; R226-F230 PolarHBondContact O-N 3.46Å
227	S	96.9	Very high	95.9	Very high	61 Å²	61	100.7 Å²	100.7	43%	0.427	47%	0.472	S	S	.	.	H	α-helix	trans	-61	-54.6	173.7	-162.2	0	0	0	0	109.7	L223 D224 L229 F230 D231	L223-S227 PolarHBondContact O-N 2.86Å; D224-S227 PolarHBondContact O-N 3.29Å; S227-L229 VanDerWaalsContact C-N 3.27Å; S227-L229 PolarHBondContact O-N 3.34Å; S227-F230 PolarHBondContact O-N 3.37Å; S227-F230 VanDerWaalsContact O-N 3.08Å; S227-D231 WeakPolarHBondContact O-CB 3.48Å; S227-D231 VanDerWaalsContact O-CG 3.22Å; S227-D231 PolarHBondContact O-N 2.82Å; S227-D231 PolarHBondContact OG-OD2 2.95Å
228	R	96.6	Very high	95.8	Very high	162 Å²	162	99.8 Å²	99.8	61%	0.611	47%	0.47	S	S	*	.	H	α-helix	trans	-56.5	-40.1	179.1	-68.4	172	-160.4	162.8	11.9	112.4	D224 F225 E232	D224-R228 VanDerWaalsContact O-CG 3.29Å; D224-R228 WeakPolarHBondContact O-CG 3.47Å; D224-R228 PolarHBondContact O-N 2.91Å; D224-R228 IonicContact OD2-NH2 3.67Å; F225-R228 PolarHBondContact O-N 3.3Å; R228-E232 VanDerWaalsContact O-CB 3.26Å; R228-E232 WeakPolarHBondContact O-CB 3.43Å; R228-E232 WeakPolarHBondContact O-CG 3.24Å; R228-E232 PolarHBondContact O-N 3.39Å
229	L	97	Very high	95.7	Very high	65 Å²	65	104.7 Å²	104.7	34%	0.34	49%	0.489	S	S	.	.	H	α-helix	trans	-63.8	-48.7	175.2	-178.9	64.3	0	0	0	112	F225 R226 S227 E232 E233	F225-L229 HydrophobicContact CE1-CD2 4.3Å; F225-L229 WeakPolarHBondContact O-CB 3.41Å; F225-L229 PolarHBondContact O-N 3.46Å; R226-L229 PolarHBondContact O-N 3.1Å; S227-L229 VanDerWaalsContact C-N 3.27Å; S227-L229 PolarHBondContact O-N 3.34Å; L229-E232 PolarHBondContact O-N 2.91Å; L229-E233 WeakPolarHBondContact O-CB 3.32Å; L229-E233 WeakPolarHBondContact O-CG 3.07Å; L229-E233 PolarHBondContact O-N 3.09Å
230	F	95.1	Very high	95.5	Very high	120 Å²	120	107.8 Å²	107.8	53%	0.526	49%	0.494	S	S	.	.	H	α-helix	trans	-67.5	-35	178	-71	-46.9	0	0	0	112.7	R226 S227 E233 R234	R226-F230 HydrophobicContact CB-CD2 4.47Å; R226-F230 HydrophobicContact CB-CE2 4.3Å; R226-F230 WeakPolarHBondContact O-CB 3.37Å; R226-F230 WeakPolarHBondContact O-CD2 3.44Å; R226-F230 WeakPolarHBondContact O-CG 3.38Å; R226-F230 PolarHBondContact O-N 3.46Å; S227-F230 PolarHBondContact O-N 3.37Å; S227-F230 VanDerWaalsContact O-N 3.08Å; F230-E233 PolarHBondContact O-N 2.75Å; F230-R234 WeakPolarHBondContact O-CB 3.43Å; F230-R234 WeakPolarHBondContact O-CD 3.49Å; F230-R234 WeakPolarHBondContact O-CG 3.29Å; F230-R234 PolarHBondContact O-N 2.85Å
231	D	97	Very high	95.3	Very high	60 Å²	60	104.8 Å²	104.8	32%	0.321	49%	0.488	S	S	.	.	H	α-helix	trans	-69	-44.4	175.7	-65.8	-43.8	0	0	0	109.9	S227 E233 R234 E235	S227-D231 WeakPolarHBondContact O-CB 3.48Å; S227-D231 VanDerWaalsContact O-CG 3.22Å; S227-D231 PolarHBondContact O-N 2.82Å; S227-D231 PolarHBondContact OG-OD2 2.95Å; D231-E233 VanDerWaalsContact C-N 3.35Å; D231-E233 PolarHBondContact O-N 2.8Å; D231-R234 PolarHBondContact O-N 2.6Å; D231-R234 IonicContact OD1-CZ 2.76Å; D231-R234 IonicContact OD1-NH1 3.79Å; D231-R234 PolarHBondContact OD1-NH1 2.73Å; D231-E235 WeakPolarHBondContact O-CG 3.18Å; D231-E235 PolarHBondContact O-N 2.76Å
232	E	95.8	Very high	95	Very high	104 Å²	104	103.6 Å²	103.6	49%	0.486	49%	0.486	S	S	.	.	H	α-helix	trans	-58.5	-40.2	169.5	-86.4	-169.3	-129.5	0	0	113.4	R228 L229 K236	R228-E232 VanDerWaalsContact O-CB 3.26Å; R228-E232 WeakPolarHBondContact O-CB 3.43Å; R228-E232 WeakPolarHBondContact O-CG 3.24Å; R228-E232 PolarHBondContact O-N 3.39Å; L229-E232 PolarHBondContact O-N 2.91Å; E232-K236 WeakPolarHBondContact O-CB 3.44Å; E232-K236 WeakPolarHBondContact O-CD 3.41Å; E232-K236 WeakPolarHBondContact O-CE 3.21Å; E232-K236 WeakPolarHBondContact O-CG 3.21Å; E232-K236 PolarHBondContact O-N 3.08Å; E232-K236 VanDerWaalsContact O-N 3.07Å; E232-K236 IonicContact OE2-NZ 3.42Å; E232-K236 PolarHBondContact OE2-NZ 3.07Å
233	E	93.4	Very high	94.8	Very high	92 Å²	92	105.4 Å²	105.4	43%	0.43	49%	0.489	S	S	.	.	H	α-helix	trans	-67.4	-38	175.6	-77.2	176.7	175.7	0	0	111.7	L229 F230 D231 L237	L229-E233 WeakPolarHBondContact O-CB 3.32Å; L229-E233 WeakPolarHBondContact O-CG 3.07Å; L229-E233 PolarHBondContact O-N 3.09Å; F230-E233 PolarHBondContact O-N 2.75Å; D231-E233 VanDerWaalsContact C-N 3.35Å; D231-E233 PolarHBondContact O-N 2.8Å; E233-L237 WeakPolarHBondContact O-CB 3.16Å; E233-L237 VanDerWaalsContact O-CG 3.24Å; E233-L237 WeakPolarHBondContact O-CG 3.37Å; E233-L237 PolarHBondContact O-N 2.99Å
234	R	92.6	Very high	94.5	Very high	144 Å²	144	104.7 Å²	104.7	54%	0.543	49%	0.485	S	S	.	.	H	α-helix	trans	-67.6	-47.6	176	-74.6	166.4	67.6	-131.8	-8.4	111.6	F230 D231 K236 L237 V238	F230-R234 WeakPolarHBondContact O-CB 3.43Å; F230-R234 WeakPolarHBondContact O-CD 3.49Å; F230-R234 WeakPolarHBondContact O-CG 3.29Å; F230-R234 PolarHBondContact O-N 2.85Å; D231-R234 PolarHBondContact O-N 2.6Å; D231-R234 IonicContact OD1-CZ 2.76Å; D231-R234 IonicContact OD1-NH1 3.79Å; D231-R234 PolarHBondContact OD1-NH1 2.73Å; R234-K236 PolarHBondContact O-N 2.99Å; R234-L237 PolarHBondContact O-N 2.99Å; R234-L237 VanDerWaalsContact O-N 3.08Å; R234-V238 WeakPolarHBondContact O-CG2 3.29Å; R234-V238 PolarHBondContact O-N 3.17Å
235	E	94.4	Very high	94	Very high	108 Å²	108	106.9 Å²	106.9	51%	0.505	49%	0.492	S	S	.	.	H	α-helix	trans	-57.8	-48.4	174.7	-66.4	-52.5	126.4	0	0	110.4	D231 L237 V238 E239	D231-E235 WeakPolarHBondContact O-CG 3.18Å; D231-E235 PolarHBondContact O-N 2.76Å; E235-L237 PolarHBondContact O-N 2.7Å; E235-L237 VanDerWaalsContact O-N 3.14Å; E235-V238 CarbonylContact O-C 3.59Å; E235-V238 PolarHBondContact O-N 3.3Å; E235-E239 WeakPolarHBondContact O-CB 3.42Å; E235-E239 WeakPolarHBondContact O-CG 3.29Å; E235-E239 PolarHBondContact O-N 2.83Å
236	K	94.9	Very high	93.6	Very high	81 Å²	81	107 Å²	107	35%	0.352	50%	0.495	S	S	.	.	H	α-helix	trans	-63.8	-19.8	176.9	-68.3	162	-159.9	164.1	0	114	E232 R234 R240	E232-K236 WeakPolarHBondContact O-CB 3.44Å; E232-K236 WeakPolarHBondContact O-CD 3.41Å; E232-K236 WeakPolarHBondContact O-CE 3.21Å; E232-K236 WeakPolarHBondContact O-CG 3.21Å; E232-K236 PolarHBondContact O-N 3.08Å; E232-K236 VanDerWaalsContact O-N 3.07Å; E232-K236 IonicContact OE2-NZ 3.42Å; E232-K236 PolarHBondContact OE2-NZ 3.07Å; R234-K236 PolarHBondContact O-N 2.99Å; K236-R240 WeakPolarHBondContact O-CD 3.43Å; K236-R240 WeakPolarHBondContact O-CG 3.47Å; K236-R240 PolarHBondContact O-NE 2.78Å
237	L	92.3	Very high	93.3	Very high	98 Å²	98	102.6 Å²	102.6	51%	0.513	48%	0.481	S	S	.	.	H	α-helix	trans	-86.2	-36.4	171.7	-75.6	168.1	0	0	0	111.8	E233 R234 E235 S241	E233-L237 WeakPolarHBondContact O-CB 3.16Å; E233-L237 VanDerWaalsContact O-CG 3.24Å; E233-L237 WeakPolarHBondContact O-CG 3.37Å; E233-L237 PolarHBondContact O-N 2.99Å; R234-L237 PolarHBondContact O-N 2.99Å; R234-L237 VanDerWaalsContact O-N 3.08Å; E235-L237 PolarHBondContact O-N 2.7Å; E235-L237 VanDerWaalsContact O-N 3.14Å; L237-S241 WeakPolarHBondContact O-CB 3.4Å; L237-S241 PolarHBondContact O-N 2.82Å; L237-S241 PolarHBondContact O-OG 2.83Å
238	V	95.3	Very high	92.9	Very high	71 Å²	71	102.9 Å²	102.9	43%	0.43	48%	0.48	S	S	.	.	H	α-helix	trans	-65.8	-49.1	173.5	170.7	0	0	0	0	110.5	R234 E235 R240 S241 L242	R234-V238 WeakPolarHBondContact O-CG2 3.29Å; R234-V238 PolarHBondContact O-N 3.17Å; E235-V238 CarbonylContact O-C 3.59Å; E235-V238 PolarHBondContact O-N 3.3Å; V238-R240 VanDerWaalsContact C-N 3.31Å; V238-R240 PolarHBondContact O-N 2.89Å; V238-S241 PolarHBondContact O-N 2.87Å; V238-L242 HydrophobicContact CG1-CD1 3.77Å; V238-L242 HydrophobicContact CG1-CG 4.23Å; V238-L242 WeakPolarHBondContact O-CB 3.32Å; V238-L242 WeakPolarHBondContact O-CG 3.44Å; V238-L242 PolarHBondContact O-N 2.81Å
239	E	93.7	Very high	92.5	Very high	122 Å²	122	100 Å²	100	57%	0.57	47%	0.474	S	S	*	.	H	α-helix	trans	-51.9	-46.7	174.2	-73	177	153.9	0	0	112.1	E235 Y243	E235-E239 WeakPolarHBondContact O-CB 3.42Å; E235-E239 WeakPolarHBondContact O-CG 3.29Å; E235-E239 PolarHBondContact O-N 2.83Å; E239-Y243 WeakPolarHBondContact O-CB 3.25Å; E239-Y243 PolarHBondContact O-N 3.12Å
240	R	93.8	Very high	92	Very high	150 Å²	150	99 Å²	99	57%	0.566	48%	0.478	S	S	*	.	H	α-helix	trans	-66.6	-37.9	177.3	-72.2	170.3	-166.6	151	4.9	112.6	K236 V238 I244	K236-R240 WeakPolarHBondContact O-CD 3.43Å; K236-R240 WeakPolarHBondContact O-CG 3.47Å; K236-R240 PolarHBondContact O-NE 2.78Å; V238-R240 VanDerWaalsContact C-N 3.31Å; V238-R240 PolarHBondContact O-N 2.89Å; R240-I244 WeakPolarHBondContact O-CB 3.23Å; R240-I244 WeakPolarHBondContact O-CD1 3.48Å; R240-I244 WeakPolarHBondContact O-CG1 3.35Å; R240-I244 PolarHBondContact O-N 2.82Å
241	S	91.8	Very high	91.7	Very high	59 Å²	59	100.8 Å²	100.8	41%	0.413	48%	0.482	S	S	.	.	H	α-helix	trans	-68.2	-47.7	179.6	-55.8	0	0	0	0	110.3	L237 V238 Y243 I244 E245	L237-S241 WeakPolarHBondContact O-CB 3.4Å; L237-S241 PolarHBondContact O-N 2.82Å; L237-S241 PolarHBondContact O-OG 2.83Å; V238-S241 PolarHBondContact O-N 2.87Å; S241-Y243 PolarHBondContact O-N 2.81Å; S241-I244 PolarHBondContact O-N 2.9Å; S241-E245 WeakPolarHBondContact O-CG 3.29Å; S241-E245 PolarHBondContact O-N 3.06Å
242	L	91.2	Very high	91.3	Very high	90 Å²	90	102 Å²	102	47%	0.471	48%	0.484	S	S	.	.	H	α-helix	trans	-59	-46.5	174.7	-69.3	172.6	0	0	0	111.8	V238 I244 E245 E246	V238-L242 HydrophobicContact CG1-CD1 3.77Å; V238-L242 HydrophobicContact CG1-CG 4.23Å; V238-L242 WeakPolarHBondContact O-CB 3.32Å; V238-L242 WeakPolarHBondContact O-CG 3.44Å; V238-L242 PolarHBondContact O-N 2.81Å; L242-I244 VanDerWaalsContact C-N 3.31Å; L242-I244 PolarHBondContact O-N 2.8Å; L242-E245 PolarHBondContact O-N 2.85Å; L242-E245 VanDerWaalsContact O-N 3.15Å; L242-E246 WeakPolarHBondContact O-CB 3.28Å; L242-E246 WeakPolarHBondContact O-CG 3.15Å; L242-E246 PolarHBondContact O-N 2.82Å
243	Y	91.8	Very high	91	Very high	137 Å²	137	101.6 Å²	101.6	54%	0.537	48%	0.482	S	S	.	.	H	α-helix	trans	-62	-37.5	177.1	176.4	-113.1	0	0	0	112.8	E239 S241 E247	E239-Y243 WeakPolarHBondContact O-CB 3.25Å; E239-Y243 PolarHBondContact O-N 3.12Å; S241-Y243 PolarHBondContact O-N 2.81Å; Y243-E247 HydrophobicContact CD2-CG 4.32Å; Y243-E247 HydrophobicContact CE1-CG 4.13Å; Y243-E247 HydrophobicContact CE2-CG 3.66Å; Y243-E247 WeakPolarHBondContact O-CB 3.17Å; Y243-E247 WeakPolarHBondContact O-CG 3.21Å; Y243-E247 PolarHBondContact O-N 2.8Å; Y243-E247 PolarHBondContact OH-OE1 2.86Å
244	I	89.8	Confident	90.8	Very high	105 Å²	105	100 Å²	100	54%	0.538	49%	0.485	S	S	.	.	H	α-helix	trans	-68	-40	174.1	-70.5	165.4	0	0	0	111	R240 S241 L242 V248	R240-I244 WeakPolarHBondContact O-CB 3.23Å; R240-I244 WeakPolarHBondContact O-CD1 3.48Å; R240-I244 WeakPolarHBondContact O-CG1 3.35Å; R240-I244 PolarHBondContact O-N 2.82Å; S241-I244 PolarHBondContact O-N 2.9Å; L242-I244 VanDerWaalsContact C-N 3.31Å; L242-I244 PolarHBondContact O-N 2.8Å; I244-V248 HydrophobicContact CG2-CG2 4.39Å; I244-V248 VanDerWaalsContact O-CB 3.26Å; I244-V248 WeakPolarHBondContact O-CB 3.42Å; I244-V248 WeakPolarHBondContact O-CG2 3.23Å; I244-V248 PolarHBondContact O-N 2.73Å
245	E	87.4	Confident	90.8	Very high	122 Å²	122	97.8 Å²	97.8	57%	0.57	48%	0.481	S	S	*	.	H	α-helix	trans	-65.7	-44	176.6	-73.9	173	-174.1	0	0	111.7	S241 L242 V248 E249	S241-E245 WeakPolarHBondContact O-CG 3.29Å; S241-E245 PolarHBondContact O-N 3.06Å; L242-E245 PolarHBondContact O-N 2.85Å; L242-E245 VanDerWaalsContact O-N 3.15Å; E245-V248 PolarHBondContact O-N 3.28Å; E245-E249 WeakPolarHBondContact O-CB 3.34Å; E245-E249 PolarHBondContact O-N 3.06Å
246	E	88.6	Confident	90.5	Very high	139 Å²	139	99.5 Å²	99.5	65%	0.65	48%	0.483	S	S	*	.	H	α-helix	trans	-62.8	-45.3	175	-73.4	179.9	172.3	0	0	112.3	L242 E249 G250	L242-E246 WeakPolarHBondContact O-CB 3.28Å; L242-E246 WeakPolarHBondContact O-CG 3.15Å; L242-E246 PolarHBondContact O-N 2.82Å; E246-E249 PolarHBondContact O-N 2.99Å; E246-G250 PolarHBondContact O-N 2.93Å
247	E	90.2	Very high	90.5	Very high	65 Å²	65	100.7 Å²	100.7	30%	0.304	49%	0.49	S	S	.	.	H	α-helix	trans	-60.9	-43.9	173.6	-86.2	-81.8	166	0	0	112	Y243 R251	Y243-E247 HydrophobicContact CD2-CG 4.32Å; Y243-E247 HydrophobicContact CE1-CG 4.13Å; Y243-E247 HydrophobicContact CE2-CG 3.66Å; Y243-E247 WeakPolarHBondContact O-CB 3.17Å; Y243-E247 WeakPolarHBondContact O-CG 3.21Å; Y243-E247 PolarHBondContact O-N 2.8Å; Y243-E247 PolarHBondContact OH-OE1 2.86Å; E247-R251 WeakPolarHBondContact O-CB 3.14Å; E247-R251 VanDerWaalsContact O-CD 3.24Å; E247-R251 WeakPolarHBondContact O-CD 3.1Å; E247-R251 WeakPolarHBondContact O-CG 3.08Å; E247-R251 PolarHBondContact O-N 2.84Å; E247-R251 IonicContact OE2-CZ 3.94Å; E247-R251 IonicContact OE2-NE 3.85Å; E247-R251 PolarHBondContact OE2-NE 2.84Å; E247-R251 IonicContact OE2-NH2 2.6Å; E247-R251 PolarHBondContact OE2-NH2 2.9Å
248	V	88.3	Confident	90.5	Very high	67 Å²	67	99.2 Å²	99.2	41%	0.406	49%	0.489	S	S	.	.	H	α-helix	trans	-67.8	-41.9	179.9	163.8	0	0	0	0	111.2	I244 E245 R251 K252	I244-V248 HydrophobicContact CG2-CG2 4.39Å; I244-V248 VanDerWaalsContact O-CB 3.26Å; I244-V248 WeakPolarHBondContact O-CB 3.42Å; I244-V248 WeakPolarHBondContact O-CG2 3.23Å; I244-V248 PolarHBondContact O-N 2.73Å; E245-V248 PolarHBondContact O-N 3.28Å; V248-R251 PolarHBondContact O-N 3.34Å; V248-K252 HydrophobicContact CG1-CD 4.5Å; V248-K252 WeakPolarHBondContact O-CG 3.38Å; V248-K252 PolarHBondContact O-N 2.89Å
249	E	87.4	Confident	90.4	Very high	101 Å²	101	102.5 Å²	102.5	47%	0.472	49%	0.493	S	S	.	.	H	α-helix	trans	-72.4	-39.3	179.1	-153.9	60.9	-147.4	0	0	111.9	E245 E246 R251 K252 Q253	E245-E249 WeakPolarHBondContact O-CB 3.34Å; E245-E249 PolarHBondContact O-N 3.06Å; E246-E249 PolarHBondContact O-N 2.99Å; E249-R251 VanDerWaalsContact C-N 3.33Å; E249-R251 PolarHBondContact O-N 2.84Å; E249-K252 PolarHBondContact O-N 3.49Å; E249-K252 WeakPolarHBondContact OE2-CD 3.42Å; E249-K252 IonicContact OE2-NZ 3.13Å; E249-K252 PolarHBondContact OE2-NZ 3.41Å; E249-Q253 WeakPolarHBondContact O-CB 3.38Å; E249-Q253 PolarHBondContact O-N 2.98Å
250	G	87.3	Confident	90.3	Very high	43 Å²	43	101.7 Å²	101.7	44%	0.443	49%	0.492	S	S	.	.	H	α-helix	trans	-60.2	-40.2	172.6	0	0	0	0	0	112.8	E246 A254	E246-G250 PolarHBondContact O-N 2.93Å; G250-A254 WeakPolarHBondContact O-CB 3.43Å; G250-A254 PolarHBondContact O-N 3.26Å
251	R	88.7	Confident	90.3	Very high	158 Å²	158	98 Å²	98	60%	0.596	49%	0.486	S	S	*	.	H	α-helix	trans	-66.5	-45.7	174.2	-70.5	163.7	-166.7	-145.4	5.2	112.1	E247 V248 E249 Q253 A254 E255	E247-R251 WeakPolarHBondContact O-CB 3.14Å; E247-R251 VanDerWaalsContact O-CD 3.24Å; E247-R251 WeakPolarHBondContact O-CD 3.1Å; E247-R251 WeakPolarHBondContact O-CG 3.08Å; E247-R251 PolarHBondContact O-N 2.84Å; E247-R251 IonicContact OE2-CZ 3.94Å; E247-R251 IonicContact OE2-NE 3.85Å; E247-R251 PolarHBondContact OE2-NE 2.84Å; E247-R251 IonicContact OE2-NH2 2.6Å; E247-R251 PolarHBondContact OE2-NH2 2.9Å; V248-R251 PolarHBondContact O-N 3.34Å; E249-R251 VanDerWaalsContact C-N 3.33Å; E249-R251 PolarHBondContact O-N 2.84Å; R251-Q253 PolarHBondContact O-N 2.95Å; R251-A254 PolarHBondContact O-N 3.12Å; R251-E255 PolarHBondContact O-N 3.07Å
252	K	87.6	Confident	90.4	Very high	85 Å²	85	101 Å²	101	37%	0.37	49%	0.494	S	S	.	.	H	α-helix	trans	-57.9	-46.9	173.9	-71.9	172	-161.6	158.6	0	111.5	V248 E249 A254 E255 Y256	V248-K252 HydrophobicContact CG1-CD 4.5Å; V248-K252 WeakPolarHBondContact O-CG 3.38Å; V248-K252 PolarHBondContact O-N 2.89Å; E249-K252 PolarHBondContact O-N 3.49Å; E249-K252 WeakPolarHBondContact OE2-CD 3.42Å; E249-K252 IonicContact OE2-NZ 3.13Å; E249-K252 PolarHBondContact OE2-NZ 3.41Å; K252-A254 VanDerWaalsContact C-N 3.35Å; K252-A254 PolarHBondContact O-N 3.37Å; K252-E255 PolarHBondContact O-N 3.47Å; K252-Y256 HydrophobicContact CB-CD2 4.27Å; K252-Y256 HydrophobicContact CB-CE2 4.07Å; K252-Y256 WeakPolarHBondContact O-CD2 3.2Å; K252-Y256 PolarHBondContact O-N 2.89Å
253	Q	89.9	Confident	90.6	Very high	96 Å²	96	102.2 Å²	102.2	45%	0.449	50%	0.497	S	S	.	.	H	α-helix	trans	-60.9	-45.1	-179.8	-177.4	61.8	19.7	0	0	110.9	E249 R251 E255 Y256 E257	E249-Q253 WeakPolarHBondContact O-CB 3.38Å; E249-Q253 PolarHBondContact O-N 2.98Å; R251-Q253 PolarHBondContact O-N 2.95Å; Q253-E255 PolarHBondContact O-N 2.83Å; Q253-Y256 PolarHBondContact O-N 2.76Å; Q253-E257 PolarHBondContact NE2-OE1 2.82Å; Q253-E257 WeakPolarHBondContact O-CB 3.43Å; Q253-E257 WeakPolarHBondContact O-CG 3.46Å; Q253-E257 PolarHBondContact O-N 2.69Å
254	A	89.7	Confident	90.7	Very high	58 Å²	58	99.1 Å²	99.1	48%	0.479	49%	0.489	S	S	.	.	H	α-helix	trans	-62.2	-38.9	174.3	0	0	0	0	0	112.7	G250 R251 K252 S258	G250-A254 WeakPolarHBondContact O-CB 3.43Å; G250-A254 PolarHBondContact O-N 3.26Å; R251-A254 PolarHBondContact O-N 3.12Å; K252-A254 VanDerWaalsContact C-N 3.35Å; K252-A254 PolarHBondContact O-N 3.37Å; A254-S258 VanDerWaalsContact O-CB 3.23Å; A254-S258 WeakPolarHBondContact O-CB 3.44Å; A254-S258 PolarHBondContact O-N 2.64Å
255	E	92.2	Very high	90.9	Very high	99 Å²	99	101.7 Å²	101.7	46%	0.463	49%	0.492	S	S	.	.	H	α-helix	trans	-65.4	-42.1	172.9	-77.5	-170.3	-133.7	0	0	112.6	R251 K252 Q253 S258 R259	R251-E255 PolarHBondContact O-N 3.07Å; K252-E255 PolarHBondContact O-N 3.47Å; Q253-E255 PolarHBondContact O-N 2.83Å; E255-S258 PolarHBondContact O-N 3.25Å; E255-R259 WeakPolarHBondContact O-CB 3.35Å; E255-R259 WeakPolarHBondContact O-CG 3.38Å; E255-R259 PolarHBondContact O-N 3.42Å; E255-R259 IonicContact OE2-CZ 2.8Å; E255-R259 IonicContact OE2-NE 3.71Å; E255-R259 IonicContact OE2-NH2 3.92Å; E255-R259 PolarHBondContact OE2-NH2 3.2Å
256	Y	87.7	Confident	91.4	Very high	143 Å²	143	99.1 Å²	99.1	56%	0.561	49%	0.487	S	S	*	.	H	α-helix	trans	-66.5	-41.4	176.9	-73	-55.3	0	0	0	111.9	K252 Q253 L260	K252-Y256 HydrophobicContact CB-CD2 4.27Å; K252-Y256 HydrophobicContact CB-CE2 4.07Å; K252-Y256 WeakPolarHBondContact O-CD2 3.2Å; K252-Y256 PolarHBondContact O-N 2.89Å; Q253-Y256 PolarHBondContact O-N 2.76Å; Y256-L260 WeakPolarHBondContact O-CB 3.38Å; Y256-L260 PolarHBondContact O-N 3.18Å
257	E	95.1	Very high	91.7	Very high	106 Å²	106	97 Å²	97	50%	0.495	48%	0.48	S	S	.	.	H	α-helix	trans	-66.9	-39.6	174.5	-73.7	-179.8	-164.4	0	0	112	Q253 T261	Q253-E257 PolarHBondContact NE2-OE1 2.82Å; Q253-E257 WeakPolarHBondContact O-CB 3.43Å; Q253-E257 WeakPolarHBondContact O-CG 3.46Å; Q253-E257 PolarHBondContact O-N 2.69Å; E257-T261 WeakPolarHBondContact O-CB 3.33Å; E257-T261 WeakPolarHBondContact O-CG2 3.24Å; E257-T261 PolarHBondContact O-N 2.7Å; E257-T261 PolarHBondContact O-OG1 3.01Å
258	S	91.8	Very high	91.8	Very high	68 Å²	68	101 Å²	101	48%	0.476	49%	0.492	S	S	.	.	H	α-helix	trans	-61.5	-52.2	174.3	-171.1	0	0	0	0	110.9	A254 E255 L260 T261 E262	A254-S258 VanDerWaalsContact O-CB 3.23Å; A254-S258 WeakPolarHBondContact O-CB 3.44Å; A254-S258 PolarHBondContact O-N 2.64Å; E255-S258 PolarHBondContact O-N 3.25Å; S258-L260 PolarHBondContact O-N 2.87Å; S258-T261 PolarHBondContact O-N 2.94Å; S258-T261 PolarHBondContact O-OG1 2.86Å; S258-T261 VanDerWaalsContact O-OG1 3.1Å; S258-E262 VanDerWaalsContact O-CB 3.29Å; S258-E262 WeakPolarHBondContact O-CB 3.46Å; S258-E262 PolarHBondContact O-N 2.66Å
259	R	93.8	Very high	92.2	Very high	140 Å²	140	103.1 Å²	103.1	53%	0.528	50%	0.501	S	S	.	.	H	α-helix	trans	-63.1	-42.6	179	-67	172.4	-159.2	-159	9.5	111.6	E255 T261 E262 E263	E255-R259 WeakPolarHBondContact O-CB 3.35Å; E255-R259 WeakPolarHBondContact O-CG 3.38Å; E255-R259 PolarHBondContact O-N 3.42Å; E255-R259 IonicContact OE2-CZ 2.8Å; E255-R259 IonicContact OE2-NE 3.71Å; E255-R259 IonicContact OE2-NH2 3.92Å; E255-R259 PolarHBondContact OE2-NH2 3.2Å; R259-T261 PolarHBondContact O-N 2.65Å; R259-E262 PolarHBondContact O-N 2.75Å; R259-E263 WeakPolarHBondContact O-CB 3.38Å; R259-E263 WeakPolarHBondContact O-CG 3.39Å; R259-E263 PolarHBondContact O-N 3.43Å
260	L	92.6	Very high	92.6	Very high	105 Å²	105	103.3 Å²	103.3	55%	0.55	50%	0.502	S	S	.	.	H	α-helix	trans	-63.9	-40.4	177.5	179.6	61.2	0	0	0	111.9	Y256 S258 L264	Y256-L260 WeakPolarHBondContact O-CB 3.38Å; Y256-L260 PolarHBondContact O-N 3.18Å; S258-L260 PolarHBondContact O-N 2.87Å; L260-L264 HydrophobicContact CD1-CD1 3.96Å; L260-L264 HydrophobicContact CD1-CG 4.15Å; L260-L264 HydrophobicContact CG-CD1 3.99Å; L260-L264 WeakPolarHBondContact O-CB 3.2Å; L260-L264 WeakPolarHBondContact O-CG 3.26Å; L260-L264 PolarHBondContact O-N 3.46Å
261	T	93.1	Very high	92.9	Very high	71 Å²	71	104.2 Å²	104.2	44%	0.436	50%	0.499	S	S	.	.	H	α-helix	trans	-74.9	-26	177.2	54.2	0	0	0	0	113.2	E257 S258 R259 R265	E257-T261 WeakPolarHBondContact O-CB 3.33Å; E257-T261 WeakPolarHBondContact O-CG2 3.24Å; E257-T261 PolarHBondContact O-N 2.7Å; E257-T261 PolarHBondContact O-OG1 3.01Å; S258-T261 PolarHBondContact O-N 2.94Å; S258-T261 PolarHBondContact O-OG1 2.86Å; S258-T261 VanDerWaalsContact O-OG1 3.1Å; R259-T261 PolarHBondContact O-N 2.65Å; T261-R265 VanDerWaalsContact O-CG 3.28Å; T261-R265 WeakPolarHBondContact O-CG 3.45Å; T261-R265 PolarHBondContact O-N 3.39Å; T261-R265 VanDerWaalsContact O-N 3.13Å
262	E	94.6	Very high	93.3	Very high	124 Å²	124	99.4 Å²	99.4	58%	0.579	49%	0.493	S	S	*	.	H	α-helix	trans	-71.7	-50.2	171.7	-174	165.7	-152.5	0	0	111.7	S258 R259 L264 R265 S266	S258-E262 VanDerWaalsContact O-CB 3.29Å; S258-E262 WeakPolarHBondContact O-CB 3.46Å; S258-E262 PolarHBondContact O-N 2.66Å; R259-E262 PolarHBondContact O-N 2.75Å; E262-L264 VanDerWaalsContact C-N 3.34Å; E262-L264 PolarHBondContact O-N 3.48Å; E262-R265 WeakPolarHBondContact O-CA 3.16Å; E262-R265 WeakPolarHBondContact O-CB 3.16Å; E262-R265 PolarHBondContact O-N 3.21Å; E262-S266 PolarHBondContact O-N 2.87Å
263	E	95.6	Very high	93.7	Very high	115 Å²	115	98 Å²	98	54%	0.537	49%	0.494	S	S	.	.	H	α-helix	trans	-60.7	-41.4	173.8	-68.5	-67	174.4	0	0	111.7	R259 R265 S266 I267	R259-E263 WeakPolarHBondContact O-CB 3.38Å; R259-E263 WeakPolarHBondContact O-CG 3.39Å; R259-E263 PolarHBondContact O-N 3.43Å; E263-R265 PolarHBondContact O-N 3.32Å; E263-S266 PolarHBondContact O-N 3.24Å; E263-I267 WeakPolarHBondContact O-CB 3.36Å; E263-I267 VanDerWaalsContact O-CG1 3.29Å; E263-I267 WeakPolarHBondContact O-CG1 3.24Å; E263-I267 PolarHBondContact O-N 3.45Å
264	L	93.1	Very high	93.9	Very high	71 Å²	71	97.2 Å²	97.2	37%	0.372	49%	0.49	S	S	.	.	H	α-helix	trans	-70.7	-10.5	173.9	-72.4	176.5	0	0	0	114	L260 E262 R268	L260-L264 HydrophobicContact CD1-CD1 3.96Å; L260-L264 HydrophobicContact CD1-CG 4.15Å; L260-L264 HydrophobicContact CG-CD1 3.99Å; L260-L264 WeakPolarHBondContact O-CB 3.2Å; L260-L264 WeakPolarHBondContact O-CG 3.26Å; L260-L264 PolarHBondContact O-N 3.46Å; E262-L264 VanDerWaalsContact C-N 3.34Å; E262-L264 PolarHBondContact O-N 3.48Å; L264-R268 VanDerWaalsContact O-CD 3.25Å; L264-R268 WeakPolarHBondContact O-CD 3.41Å; L264-R268 VanDerWaalsContact O-CG 3.23Å; L264-R268 WeakPolarHBondContact O-CG 3.37Å; L264-R268 PolarHBondContact O-NH1 2.93Å
265	R	94.5	Very high	94.2	Very high	160 Å²	160	100.3 Å²	100.3	60%	0.604	50%	0.498	S	S	*	.	H	α-helix	trans	-87.3	-53.5	164.9	-77.7	169.1	-175.1	165.2	4.8	109.7	T261 E262 E263 I267 R268 D269	T261-R265 VanDerWaalsContact O-CG 3.28Å; T261-R265 WeakPolarHBondContact O-CG 3.45Å; T261-R265 PolarHBondContact O-N 3.39Å; T261-R265 VanDerWaalsContact O-N 3.13Å; E262-R265 WeakPolarHBondContact O-CA 3.16Å; E262-R265 WeakPolarHBondContact O-CB 3.16Å; E262-R265 PolarHBondContact O-N 3.21Å; E263-R265 PolarHBondContact O-N 3.32Å; R265-I267 VanDerWaalsContact C-N 3.29Å; R265-I267 PolarHBondContact O-N 3.4Å; R265-R268 CarbonylContact O-C 3.6Å; R265-R268 WeakPolarHBondContact O-CA 3.45Å; R265-R268 WeakPolarHBondContact O-CB 3.14Å; R265-R268 PolarHBondContact O-N 2.87Å; R265-D269 VanDerWaalsContact O-CG 3.28Å; R265-D269 PolarHBondContact O-N 3.2Å
266	S	96.9	Very high	94.4	Very high	67 Å²	67	99.8 Å²	99.8	47%	0.469	50%	0.495	S	S	.	.	H	α-helix	trans	-43.9	-51.2	174.9	-176.3	0	0	0	0	112.6	E262 E263 R268 D269 Q270	E262-S266 PolarHBondContact O-N 2.87Å; E263-S266 PolarHBondContact O-N 3.24Å; S266-R268 PolarHBondContact O-N 2.88Å; S266-D269 PolarHBondContact O-N 2.94Å; S266-Q270 WeakPolarHBondContact O-CB 3.49Å; S266-Q270 PolarHBondContact O-N 3.24Å
267	I	94.7	Very high	94.8	Very high	95 Å²	95	97.8 Å²	97.8	49%	0.487	49%	0.491	S	S	.	.	H	α-helix	trans	-65.3	-36.5	178.2	-66.5	165.5	0	0	0	112.5	E263 R265 T271	E263-I267 WeakPolarHBondContact O-CB 3.36Å; E263-I267 VanDerWaalsContact O-CG1 3.29Å; E263-I267 WeakPolarHBondContact O-CG1 3.24Å; E263-I267 PolarHBondContact O-N 3.45Å; R265-I267 VanDerWaalsContact C-N 3.29Å; R265-I267 PolarHBondContact O-N 3.4Å; I267-T271 WeakPolarHBondContact O-CB 3.37Å; I267-T271 WeakPolarHBondContact O-CG2 3.49Å; I267-T271 PolarHBondContact O-N 2.69Å; I267-T271 PolarHBondContact O-OG1 2.88Å
268	R	94	Very high	94.7	Very high	150 Å²	150	99.7 Å²	99.7	57%	0.566	50%	0.495	S	S	*	.	H	α-helix	trans	-72.2	-41.5	177.3	-74	178.7	-176.5	115.9	-6.6	111.9	L264 R265 S266 T271 A272	L264-R268 VanDerWaalsContact O-CD 3.25Å; L264-R268 WeakPolarHBondContact O-CD 3.41Å; L264-R268 VanDerWaalsContact O-CG 3.23Å; L264-R268 WeakPolarHBondContact O-CG 3.37Å; L264-R268 PolarHBondContact O-NH1 2.93Å; R265-R268 CarbonylContact O-C 3.6Å; R265-R268 WeakPolarHBondContact O-CA 3.45Å; R265-R268 WeakPolarHBondContact O-CB 3.14Å; R265-R268 PolarHBondContact O-N 2.87Å; S266-R268 PolarHBondContact O-N 2.88Å; R268-T271 PolarHBondContact O-OG1 3.27Å; R268-A272 WeakPolarHBondContact O-CB 3.36Å; R268-A272 PolarHBondContact O-N 3.4Å
269	D	95.8	Very high	95	Very high	110 Å²	110	100 Å²	100	59%	0.588	49%	0.488	S	S	*	.	H	α-helix	trans	-71	-40.6	-178.9	-59.6	-29	0	0	0	110.1	R265 S266 A272 S273	R265-D269 VanDerWaalsContact O-CG 3.28Å; R265-D269 PolarHBondContact O-N 3.2Å; S266-D269 PolarHBondContact O-N 2.94Å; D269-A272 PolarHBondContact O-N 3.43Å; D269-S273 PolarHBondContact O-N 3.12Å
270	Q	96.8	Very high	95.1	Very high	105 Å²	105	96.9 Å²	96.9	49%	0.491	48%	0.481	S	S	.	.	H	α-helix	trans	-60.8	-52.2	171.1	-179.8	62.4	27.2	0	0	111.9	S266 A272 S273 E274	S266-Q270 WeakPolarHBondContact O-CB 3.49Å; S266-Q270 PolarHBondContact O-N 3.24Å; Q270-A272 VanDerWaalsContact C-N 3.28Å; Q270-A272 PolarHBondContact O-N 2.96Å; Q270-S273 PolarHBondContact O-N 2.96Å; Q270-E274 PolarHBondContact NE2-OE1 2.88Å; Q270-E274 WeakPolarHBondContact O-CG 3.11Å; Q270-E274 PolarHBondContact O-N 2.85Å
271	T	93.7	Very high	95.3	Very high	63 Å²	63	96.6 Å²	96.6	39%	0.387	48%	0.477	S	S	.	.	H	α-helix	trans	-67	-28.1	179.6	50.6	0	0	0	0	112.8	I267 R268 L275	I267-T271 WeakPolarHBondContact O-CB 3.37Å; I267-T271 WeakPolarHBondContact O-CG2 3.49Å; I267-T271 PolarHBondContact O-N 2.69Å; I267-T271 PolarHBondContact O-OG1 2.88Å; R268-T271 PolarHBondContact O-OG1 3.27Å; T271-L275 VanDerWaalsContact O-CB 3.29Å; T271-L275 WeakPolarHBondContact O-CB 3.32Å; T271-L275 WeakPolarHBondContact O-CD1 3.33Å; T271-L275 WeakPolarHBondContact O-CG 3.39Å; T271-L275 PolarHBondContact O-N 3.14Å
272	A	95.6	Very high	95.4	Very high	56 Å²	56	98.1 Å²	98.1	46%	0.463	48%	0.48	S	S	.	.	H	α-helix	trans	-68.9	-42	170.7	0	0	0	0	0	112.4	R268 D269 Q270 L275 E276	R268-A272 WeakPolarHBondContact O-CB 3.36Å; R268-A272 PolarHBondContact O-N 3.4Å; D269-A272 PolarHBondContact O-N 3.43Å; Q270-A272 VanDerWaalsContact C-N 3.28Å; Q270-A272 PolarHBondContact O-N 2.96Å; A272-L275 PolarHBondContact O-N 2.95Å; A272-E276 PolarHBondContact O-N 3.07Å; A272-E276 VanDerWaalsContact O-N 3.07Å
273	S	95.9	Very high	95.5	Very high	57 Å²	57	97.4 Å²	97.4	40%	0.399	48%	0.477	S	S	.	.	H	α-helix	trans	-61.8	-50.3	174.3	-162.1	0	0	0	0	111	D269 Q270 L275 E276 E277	D269-S273 PolarHBondContact O-N 3.12Å; Q270-S273 PolarHBondContact O-N 2.96Å; S273-L275 VanDerWaalsContact C-N 3.34Å; S273-L275 PolarHBondContact O-N 3.24Å; S273-E276 PolarHBondContact O-N 3.37Å; S273-E277 WeakPolarHBondContact O-CB 3.39Å; S273-E277 WeakPolarHBondContact O-CG 3.39Å; S273-E277 PolarHBondContact O-N 2.77Å; S273-E277 PolarHBondContact OG-OE1 3.43Å; S273-E277 VanDerWaalsContact OG-OE1 3.14Å
274	E	95.4	Very high	95.5	Very high	79 Å²	79	98.2 Å²	98.2	37%	0.369	48%	0.481	S	S	.	.	H	α-helix	trans	-57.1	-44.6	177.1	-72.5	175.3	-167.9	0	0	111.9	Q270 E277 Y278	Q270-E274 PolarHBondContact NE2-OE1 2.88Å; Q270-E274 WeakPolarHBondContact O-CG 3.11Å; Q270-E274 PolarHBondContact O-N 2.85Å; E274-E277 PolarHBondContact O-N 3.36Å; E274-Y278 HydrophobicContact CB-CD2 4.47Å; E274-Y278 HydrophobicContact CB-CE2 4.47Å; E274-Y278 WeakPolarHBondContact O-CB 3.44Å; E274-Y278 WeakPolarHBondContact O-CD2 3.33Å; E274-Y278 PolarHBondContact O-N 2.92Å
275	L	96.1	Very high	95.6	Very high	122 Å²	122	97.8 Å²	97.8	64%	0.639	48%	0.481	S	S	*	.	H	α-helix	trans	-65.1	-38.9	179.3	-77.9	169.3	0	0	0	113	T271 A272 S273 K279	T271-L275 VanDerWaalsContact O-CB 3.29Å; T271-L275 WeakPolarHBondContact O-CB 3.32Å; T271-L275 WeakPolarHBondContact O-CD1 3.33Å; T271-L275 WeakPolarHBondContact O-CG 3.39Å; T271-L275 PolarHBondContact O-N 3.14Å; A272-L275 PolarHBondContact O-N 2.95Å; S273-L275 VanDerWaalsContact C-N 3.34Å; S273-L275 PolarHBondContact O-N 3.24Å; L275-K279 VanDerWaalsContact O-CB 3.29Å; L275-K279 WeakPolarHBondContact O-CB 3.38Å; L275-K279 PolarHBondContact O-N 3.43Å
276	E	96.8	Very high	95.6	Very high	88 Å²	88	95.8 Å²	95.8	41%	0.411	48%	0.477	S	S	.	.	H	α-helix	trans	-73	-37.1	176.5	-175.2	59.2	-165.5	0	0	111.5	A272 S273 K279 I280	A272-E276 PolarHBondContact O-N 3.07Å; A272-E276 VanDerWaalsContact O-N 3.07Å; S273-E276 PolarHBondContact O-N 3.37Å; E276-K279 PolarHBondContact O-N 3.46Å; E276-K279 IonicContact OE1-NZ 2.77Å; E276-K279 PolarHBondContact OE1-NZ 2.88Å; E276-K279 WeakPolarHBondContact OE2-CD 3.19Å; E276-K279 WeakPolarHBondContact OE2-CE 3.46Å; E276-K279 IonicContact OE2-NZ 3.24Å; E276-K279 PolarHBondContact OE2-NZ 3.01Å; E276-I280 HydrophobicContact CG-CD1 4.02Å; E276-I280 WeakPolarHBondContact O-CB 3.36Å; E276-I280 VanDerWaalsContact O-CG1 3.28Å; E276-I280 WeakPolarHBondContact O-CG1 3.2Å; E276-I280 PolarHBondContact O-N 3.01Å
277	E	96.1	Very high	95.7	Very high	101 Å²	101	97.6 Å²	97.6	47%	0.472	48%	0.478	S	S	.	.	H	α-helix	trans	-61.4	-46.8	171.1	-75.3	175.2	-135.1	0	0	112	S273 E274 K279 I280 Q281	S273-E277 WeakPolarHBondContact O-CB 3.39Å; S273-E277 WeakPolarHBondContact O-CG 3.39Å; S273-E277 PolarHBondContact O-N 2.77Å; S273-E277 PolarHBondContact OG-OE1 3.43Å; S273-E277 VanDerWaalsContact OG-OE1 3.14Å; E274-E277 PolarHBondContact O-N 3.36Å; E277-K279 VanDerWaalsContact C-N 3.3Å; E277-K279 PolarHBondContact O-N 2.81Å; E277-I280 PolarHBondContact O-N 3.33Å; E277-Q281 WeakPolarHBondContact O-CB 3.33Å; E277-Q281 VanDerWaalsContact O-CG 3.24Å; E277-Q281 WeakPolarHBondContact O-CG 3.08Å; E277-Q281 PolarHBondContact O-N 3.41Å; E277-Q281 PolarHBondContact O-NE2 2.98Å
278	Y	92.4	Very high	95.7	Very high	146 Å²	146	96 Å²	96	57%	0.573	48%	0.475	S	S	*	.	H	α-helix	trans	-62.2	-37	174.5	-82.3	-60.1	0	0	0	112.1	E274 M282	E274-Y278 HydrophobicContact CB-CD2 4.47Å; E274-Y278 HydrophobicContact CB-CE2 4.47Å; E274-Y278 WeakPolarHBondContact O-CB 3.44Å; E274-Y278 WeakPolarHBondContact O-CD2 3.33Å; E274-Y278 PolarHBondContact O-N 2.92Å; Y278-M282 WeakPolarHBondContact O-CB 3.4Å; Y278-M282 WeakPolarHBondContact O-CG 3.47Å; Y278-M282 PolarHBondContact O-N 3.17Å
279	K	97	Very high	95.8	Very high	76 Å²	76	93.7 Å²	93.7	33%	0.33	47%	0.469	S	S	.	.	H	α-helix	trans	-65	-50.2	175.7	177.5	177	136	-65.6	0	111.3	L275 E276 E277 Q281 M282 E283	L275-K279 VanDerWaalsContact O-CB 3.29Å; L275-K279 WeakPolarHBondContact O-CB 3.38Å; L275-K279 PolarHBondContact O-N 3.43Å; E276-K279 PolarHBondContact O-N 3.46Å; E276-K279 IonicContact OE1-NZ 2.77Å; E276-K279 PolarHBondContact OE1-NZ 2.88Å; E276-K279 WeakPolarHBondContact OE2-CD 3.19Å; E276-K279 WeakPolarHBondContact OE2-CE 3.46Å; E276-K279 IonicContact OE2-NZ 3.24Å; E276-K279 PolarHBondContact OE2-NZ 3.01Å; E277-K279 VanDerWaalsContact C-N 3.3Å; E277-K279 PolarHBondContact O-N 2.81Å; K279-Q281 PolarHBondContact O-N 2.85Å; K279-M282 PolarHBondContact O-N 3.25Å; K279-E283 WeakPolarHBondContact CE-OE1 3.16Å; K279-E283 WeakPolarHBondContact CG-OE1 3.29Å; K279-E283 IonicContact NZ-OE1 3.86Å; K279-E283 IonicContact NZ-OE2 3.67Å; K279-E283 WeakPolarHBondContact O-CB 3.26Å; K279-E283 WeakPolarHBondContact O-CG 3.4Å; K279-E283 PolarHBondContact O-N 3.13Å
280	I	97.1	Very high	95.8	Very high	73 Å²	73	92.5 Å²	92.5	37%	0.374	46%	0.462	S	S	.	.	H	α-helix	trans	-58.3	-47.6	176.9	-69.3	163.6	0	0	0	110.4	E276 E277 M282 E283 E284	E276-I280 HydrophobicContact CG-CD1 4.02Å; E276-I280 WeakPolarHBondContact O-CB 3.36Å; E276-I280 VanDerWaalsContact O-CG1 3.28Å; E276-I280 WeakPolarHBondContact O-CG1 3.2Å; E276-I280 PolarHBondContact O-N 3.01Å; E277-I280 PolarHBondContact O-N 3.33Å; I280-M282 VanDerWaalsContact C-N 3.34Å; I280-M282 PolarHBondContact O-N 3.44Å; I280-E283 PolarHBondContact O-N 2.87Å; I280-E284 HydrophobicContact CG2-CG 4.42Å; I280-E284 WeakPolarHBondContact O-CG 3.39Å; I280-E284 PolarHBondContact O-N 3.28Å
281	Q	96.9	Very high	95.7	Very high	99 Å²	99	88.6 Å²	88.6	46%	0.463	45%	0.451	S	S	.	.	H	α-helix	trans	-61.5	-38.9	177.4	-71.2	172.5	49.5	0	0	112.6	E277 K279 T285	E277-Q281 WeakPolarHBondContact O-CB 3.33Å; E277-Q281 VanDerWaalsContact O-CG 3.24Å; E277-Q281 WeakPolarHBondContact O-CG 3.08Å; E277-Q281 PolarHBondContact O-N 3.41Å; E277-Q281 PolarHBondContact O-NE2 2.98Å; K279-Q281 PolarHBondContact O-N 2.85Å; Q281-T285 WeakPolarHBondContact O-CG2 3.44Å; Q281-T285 PolarHBondContact O-N 3.34Å; Q281-T285 PolarHBondContact O-OG1 3.17Å
282	M	93.8	Very high	95.8	Very high	104 Å²	104	91.7 Å²	91.7	51%	0.512	46%	0.46	S	S	.	.	H	α-helix	trans	-64.2	-49.3	172.9	-79.8	-168.4	-68.6	0	0	111.5	Y278 K279 I280 E284 T285 F286	Y278-M282 WeakPolarHBondContact O-CB 3.4Å; Y278-M282 WeakPolarHBondContact O-CG 3.47Å; Y278-M282 PolarHBondContact O-N 3.17Å; K279-M282 PolarHBondContact O-N 3.25Å; I280-M282 VanDerWaalsContact C-N 3.34Å; I280-M282 PolarHBondContact O-N 3.44Å; M282-E284 PolarHBondContact O-N 3.42Å; M282-T285 PolarHBondContact O-N 2.68Å; M282-T285 PolarHBondContact O-OG1 2.89Å; M282-F286 HydrophobicContact CB-CD2 4.31Å; M282-F286 HydrophobicContact CB-CE2 4.29Å; M282-F286 WeakPolarHBondContact O-CB 3.38Å; M282-F286 WeakPolarHBondContact O-CD2 3.21Å; M282-F286 PolarHBondContact O-N 3.48Å
283	E	97	Very high	95.7	Very high	108 Å²	108	94.6 Å²	94.6	51%	0.505	47%	0.468	S	S	.	.	H	α-helix	trans	-57.5	-47.7	179	-73.1	170.8	-176.7	0	0	111.5	K279 I280 F286 E287	K279-E283 WeakPolarHBondContact CE-OE1 3.16Å; K279-E283 WeakPolarHBondContact CG-OE1 3.29Å; K279-E283 IonicContact NZ-OE1 3.86Å; K279-E283 IonicContact NZ-OE2 3.67Å; K279-E283 WeakPolarHBondContact O-CB 3.26Å; K279-E283 WeakPolarHBondContact O-CG 3.4Å; K279-E283 PolarHBondContact O-N 3.13Å; I280-E283 PolarHBondContact O-N 2.87Å; E283-F286 PolarHBondContact O-N 2.88Å; E283-E287 PolarHBondContact O-N 3.31Å
284	E	96.5	Very high	95.7	Very high	133 Å²	133	96.9 Å²	96.9	62%	0.621	47%	0.47	S	S	*	.	H	α-helix	trans	-59.7	-47.2	174.2	-74	-171.4	163.9	0	0	112.5	I280 M282 F286 E287 S288	I280-E284 HydrophobicContact CG2-CG 4.42Å; I280-E284 WeakPolarHBondContact O-CG 3.39Å; I280-E284 PolarHBondContact O-N 3.28Å; M282-E284 PolarHBondContact O-N 3.42Å; E284-F286 VanDerWaalsContact C-N 3.3Å; E284-F286 PolarHBondContact O-N 2.84Å; E284-E287 PolarHBondContact O-N 3.1Å; E284-S288 VanDerWaalsContact O-CB 3.25Å; E284-S288 WeakPolarHBondContact O-CB 3.24Å; E284-S288 PolarHBondContact O-N 3.47Å
285	T	95.2	Very high	95.7	Very high	62 Å²	62	96.8 Å²	96.8	38%	0.38	48%	0.479	S	S	.	.	H	α-helix	trans	-69.6	-29.6	-179.3	74.9	0	0	0	0	112.2	Q281 M282 K289	Q281-T285 WeakPolarHBondContact O-CG2 3.44Å; Q281-T285 PolarHBondContact O-N 3.34Å; Q281-T285 PolarHBondContact O-OG1 3.17Å; M282-T285 PolarHBondContact O-N 2.68Å; M282-T285 PolarHBondContact O-OG1 2.89Å; T285-K289 WeakPolarHBondContact O-CB 3.32Å; T285-K289 WeakPolarHBondContact O-CD 3.41Å; T285-K289 WeakPolarHBondContact O-CE 3.5Å; T285-K289 WeakPolarHBondContact O-CG 3.32Å; T285-K289 PolarHBondContact O-N 2.97Å; T285-K289 VanDerWaalsContact O-N 3.07Å; T285-K289 PolarHBondContact OG1-NZ 2.75Å
286	F	94.5	Very high	95.7	Very high	118 Å²	118	94.7 Å²	94.7	52%	0.518	47%	0.474	S	S	.	.	H	α-helix	trans	-73.7	-45	174.5	-79	-59	0	0	0	111.9	M282 E283 E284 S288 K289 L290	M282-F286 HydrophobicContact CB-CD2 4.31Å; M282-F286 HydrophobicContact CB-CE2 4.29Å; M282-F286 WeakPolarHBondContact O-CB 3.38Å; M282-F286 WeakPolarHBondContact O-CD2 3.21Å; M282-F286 PolarHBondContact O-N 3.48Å; E283-F286 PolarHBondContact O-N 2.88Å; E284-F286 VanDerWaalsContact C-N 3.3Å; E284-F286 PolarHBondContact O-N 2.84Å; F286-S288 VanDerWaalsContact C-N 3.34Å; F286-S288 PolarHBondContact O-N 2.89Å; F286-K289 PolarHBondContact O-N 2.66Å; F286-L290 WeakPolarHBondContact O-CB 3.49Å; F286-L290 VanDerWaalsContact O-CG 3.32Å; F286-L290 WeakPolarHBondContact O-CG 3.49Å; F286-L290 PolarHBondContact O-N 2.91Å
287	E	98	Very high	95.5	Very high	105 Å²	105	93.2 Å²	93.2	49%	0.491	48%	0.477	S	S	.	.	H	α-helix	trans	-68.2	-35.1	177	-170.9	53.8	-144.3	0	0	111.5	E283 E284 L290 G291 K294	E283-E287 PolarHBondContact O-N 3.31Å; E284-E287 PolarHBondContact O-N 3.1Å; E287-L290 PolarHBondContact O-N 2.78Å; E287-G291 PolarHBondContact O-N 2.89Å; E287-K294 IonicContact OE1-NZ 3.85Å; E287-K294 PolarHBondContact OE1-NZ 3.3Å; E287-K294 IonicContact OE2-NZ 2.64Å
288	S	95.7	Very high	95.5	Very high	60 Å²	60	93.2 Å²	93.2	42%	0.42	48%	0.48	S	S	.	.	H	α-helix	trans	-60.3	-46.9	170.2	175.9	0	0	0	0	112	E284 F286 G291 Q292	E284-S288 VanDerWaalsContact O-CB 3.25Å; E284-S288 WeakPolarHBondContact O-CB 3.24Å; E284-S288 PolarHBondContact O-N 3.47Å; F286-S288 VanDerWaalsContact C-N 3.34Å; F286-S288 PolarHBondContact O-N 2.89Å; S288-G291 PolarHBondContact O-N 2.86Å; S288-Q292 WeakPolarHBondContact O-CB 3.41Å; S288-Q292 VanDerWaalsContact O-CG 3.26Å; S288-Q292 WeakPolarHBondContact O-CG 3.3Å; S288-Q292 PolarHBondContact O-N 3.17Å; S288-Q292 PolarHBondContact OG-NE2 3.46Å; S288-Q292 VanDerWaalsContact OG-NE2 3.1Å
289	K	95.9	Very high	95.6	Very high	103 Å²	103	93.1 Å²	93.1	45%	0.448	48%	0.483	S	S	.	.	H	α-helix	trans	-64.4	-40.9	176.7	-72.6	160.3	-163.8	152.7	0	111.7	T285 F286 Q292 L293	T285-K289 WeakPolarHBondContact O-CB 3.32Å; T285-K289 WeakPolarHBondContact O-CD 3.41Å; T285-K289 WeakPolarHBondContact O-CE 3.5Å; T285-K289 WeakPolarHBondContact O-CG 3.32Å; T285-K289 PolarHBondContact O-N 2.97Å; T285-K289 VanDerWaalsContact O-N 3.07Å; T285-K289 PolarHBondContact OG1-NZ 2.75Å; F286-K289 PolarHBondContact O-N 2.66Å; K289-Q292 PolarHBondContact O-N 2.91Å; K289-L293 WeakPolarHBondContact O-CB 3.44Å; K289-L293 VanDerWaalsContact O-CG 3.27Å; K289-L293 WeakPolarHBondContact O-CG 3.4Å; K289-L293 PolarHBondContact O-N 3.47Å
290	L	95.2	Very high	95.4	Very high	84 Å²	84	93 Å²	93	44%	0.44	49%	0.491	S	S	.	.	H	α-helix	trans	-65.3	-42.6	175.5	-75.6	168.9	0	0	0	111.3	F286 E287 L293 K294	F286-L290 WeakPolarHBondContact O-CB 3.49Å; F286-L290 VanDerWaalsContact O-CG 3.32Å; F286-L290 WeakPolarHBondContact O-CG 3.49Å; F286-L290 PolarHBondContact O-N 2.91Å; E287-L290 PolarHBondContact O-N 2.78Å; L290-L293 PolarHBondContact O-N 3.45Å; L290-K294 VanDerWaalsContact O-CB 3.3Å; L290-K294 WeakPolarHBondContact O-CB 3.45Å; L290-K294 WeakPolarHBondContact O-CD 3.23Å; L290-K294 WeakPolarHBondContact O-CG 3.28Å; L290-K294 PolarHBondContact O-N 2.88Å
291	G	96	Very high	95.3	Very high	24 Å²	24	92.4 Å²	92.4	25%	0.247	50%	0.498	C	S	.	.	H	α-helix	trans	-57.8	-50.3	172.9	0	0	0	0	0	111.9	E287 S288 L293 K294 S295	E287-G291 PolarHBondContact O-N 2.89Å; S288-G291 PolarHBondContact O-N 2.86Å; G291-L293 PolarHBondContact O-N 2.82Å; G291-K294 PolarHBondContact O-N 3.48Å; G291-S295 WeakPolarHBondContact O-CB 3.35Å; G291-S295 PolarHBondContact O-N 2.86Å; G291-S295 PolarHBondContact O-OG 3Å; G291-S295 VanDerWaalsContact O-OG 3.05Å
292	Q	95.5	Very high	95.2	Very high	127 Å²	127	94 Å²	94	59%	0.593	51%	0.505	S	S	*	.	H	α-helix	trans	-60.6	-43.5	176.4	-70.5	171.6	32	0	0	112.4	S288 K289 S295 S296	S288-Q292 WeakPolarHBondContact O-CB 3.41Å; S288-Q292 VanDerWaalsContact O-CG 3.26Å; S288-Q292 WeakPolarHBondContact O-CG 3.3Å; S288-Q292 PolarHBondContact O-N 3.17Å; S288-Q292 PolarHBondContact OG-NE2 3.46Å; S288-Q292 VanDerWaalsContact OG-NE2 3.1Å; K289-Q292 PolarHBondContact O-N 2.91Å; Q292-S295 PolarHBondContact O-N 3.26Å; Q292-S296 WeakPolarHBondContact O-CB 3.42Å; Q292-S296 PolarHBondContact O-N 3.01Å
293	L	93.7	Very high	95.2	Very high	118 Å²	118	92.2 Å²	92.2	62%	0.618	50%	0.498	S	S	*	.	H	α-helix	trans	-66.6	-42.7	176.8	-73.9	169.1	0	0	0	112.2	K289 L290 G291 S296 A297	K289-L293 WeakPolarHBondContact O-CB 3.44Å; K289-L293 VanDerWaalsContact O-CG 3.27Å; K289-L293 WeakPolarHBondContact O-CG 3.4Å; K289-L293 PolarHBondContact O-N 3.47Å; L290-L293 PolarHBondContact O-N 3.45Å; G291-L293 PolarHBondContact O-N 2.82Å; L293-S296 PolarHBondContact O-N 3.29Å; L293-A297 VanDerWaalsContact O-CB 3.23Å; L293-A297 WeakPolarHBondContact O-CB 3.26Å; L293-A297 PolarHBondContact O-N 3.49Å
294	K	95.9	Very high	95.1	Very high	104 Å²	104	88.7 Å²	88.7	45%	0.452	49%	0.487	S	S	.	.	H	α-helix	trans	-58.2	-48.8	172.6	-70.6	159.8	-168.2	167.5	0	110.2	E287 L290 G291 A297 N298	E287-K294 IonicContact OE1-NZ 3.85Å; E287-K294 PolarHBondContact OE1-NZ 3.3Å; E287-K294 IonicContact OE2-NZ 2.64Å; L290-K294 VanDerWaalsContact O-CB 3.3Å; L290-K294 WeakPolarHBondContact O-CB 3.45Å; L290-K294 WeakPolarHBondContact O-CD 3.23Å; L290-K294 WeakPolarHBondContact O-CG 3.28Å; L290-K294 PolarHBondContact O-N 2.88Å; G291-K294 PolarHBondContact O-N 3.48Å; K294-A297 PolarHBondContact O-N 2.68Å; K294-N298 WeakPolarHBondContact O-CB 3.48Å; K294-N298 PolarHBondContact O-N 2.93Å; K294-N298 PolarHBondContact O-OD1 3.35Å
295	S	95.6	Very high	95.1	Very high	78 Å²	78	86 Å²	86	55%	0.545	48%	0.483	S	S	.	.	H	α-helix	trans	-63.3	-44.3	178.6	-64.4	0	0	0	0	112.7	G291 Q292 N298 F299	G291-S295 WeakPolarHBondContact O-CB 3.35Å; G291-S295 PolarHBondContact O-N 2.86Å; G291-S295 PolarHBondContact O-OG 3Å; G291-S295 VanDerWaalsContact O-OG 3.05Å; Q292-S295 PolarHBondContact O-N 3.26Å; S295-N298 PolarHBondContact O-N 3.34Å; S295-F299 WeakPolarHBondContact O-CB 3.21Å; S295-F299 PolarHBondContact O-N 2.85Å
296	S	94.3	Very high	95.1	Very high	78 Å²	78	90.7 Å²	90.7	55%	0.545	49%	0.493	S	S	.	.	H	α-helix	trans	-67	-35.1	177	-173.4	0	0	0	0	112.5	Q292 L293 S300	Q292-S296 WeakPolarHBondContact O-CB 3.42Å; Q292-S296 PolarHBondContact O-N 3.01Å; L293-S296 PolarHBondContact O-N 3.29Å; S296-S300 VanDerWaalsContact O-CB 3.26Å; S296-S300 WeakPolarHBondContact O-CB 3.3Å; S296-S300 PolarHBondContact O-N 3.48Å
297	A	94	Very high	95	Very high	57 Å²	57	89.7 Å²	89.7	47%	0.471	49%	0.49	S	S	.	.	H	α-helix	trans	-69.6	-43.4	175.4	0	0	0	0	0	111.5	L293 K294 S300 A301	L293-A297 VanDerWaalsContact O-CB 3.23Å; L293-A297 WeakPolarHBondContact O-CB 3.26Å; L293-A297 PolarHBondContact O-N 3.49Å; K294-A297 PolarHBondContact O-N 2.68Å; A297-S300 PolarHBondContact O-N 2.84Å; A297-A301 WeakPolarHBondContact O-CB 3.42Å; A297-A301 PolarHBondContact O-N 2.75Å
298	N	95.2	Very high	94.9	Very high	100 Å²	100	93.8 Å²	93.8	54%	0.535	50%	0.502	S	S	.	.	H	α-helix	trans	-61.5	-50.1	174.9	-71.2	-4.4	0	0	0	111.1	K294 S295 S300 A301 E302	K294-N298 WeakPolarHBondContact O-CB 3.48Å; K294-N298 PolarHBondContact O-N 2.93Å; K294-N298 PolarHBondContact O-OD1 3.35Å; S295-N298 PolarHBondContact O-N 3.34Å; N298-S300 VanDerWaalsContact C-N 3.33Å; N298-S300 PolarHBondContact O-N 3.03Å; N298-A301 PolarHBondContact O-N 3.42Å; N298-A301 VanDerWaalsContact O-N 3.07Å; N298-E302 WeakPolarHBondContact O-CG 3.33Å; N298-E302 PolarHBondContact O-N 2.87Å
299	F	95.6	Very high	94.9	Very high	144 Å²	144	94 Å²	94	63%	0.632	50%	0.503	S	S	*	.	H	α-helix	trans	-57.7	-44.5	176.7	179.3	-99	0	0	0	112.1	S295 A301 E302 D303	S295-F299 WeakPolarHBondContact O-CB 3.21Å; S295-F299 PolarHBondContact O-N 2.85Å; F299-A301 VanDerWaalsContact C-N 3.32Å; F299-A301 PolarHBondContact O-N 2.78Å; F299-E302 PolarHBondContact O-N 2.87Å; F299-D303 WeakPolarHBondContact O-CB 3.46Å; F299-D303 PolarHBondContact O-N 2.94Å
300	S	91.4	Very high	94.9	Very high	73 Å²	73	93.7 Å²	93.7	51%	0.51	50%	0.503	S	S	.	.	H	α-helix	trans	-65.3	-33.5	176	-177.5	0	0	0	0	112.8	S296 A297 N298 A304	S296-S300 VanDerWaalsContact O-CB 3.26Å; S296-S300 WeakPolarHBondContact O-CB 3.3Å; S296-S300 PolarHBondContact O-N 3.48Å; A297-S300 PolarHBondContact O-N 2.84Å; N298-S300 VanDerWaalsContact C-N 3.33Å; N298-S300 PolarHBondContact O-N 3.03Å; S300-A304 WeakPolarHBondContact O-CB 3.48Å; S300-A304 PolarHBondContact O-N 2.81Å
301	A	95.5	Very high	94.9	Very high	61 Å²	61	94.8 Å²	94.8	50%	0.504	51%	0.509	S	S	.	.	H	α-helix	trans	-73.5	-38.3	176	0	0	0	0	0	112.3	A297 N298 F299 S305	A297-A301 WeakPolarHBondContact O-CB 3.42Å; A297-A301 PolarHBondContact O-N 2.75Å; N298-A301 PolarHBondContact O-N 3.42Å; N298-A301 VanDerWaalsContact O-N 3.07Å; F299-A301 VanDerWaalsContact C-N 3.32Å; F299-A301 PolarHBondContact O-N 2.78Å; A301-S305 VanDerWaalsContact O-CB 3.29Å; A301-S305 WeakPolarHBondContact O-CB 3.26Å; A301-S305 PolarHBondContact O-N 3.37Å
302	E	96	Very high	94.9	Very high	134 Å²	134	98.3 Å²	98.3	63%	0.626	52%	0.521	S	S	*	.	H	α-helix	trans	-66.2	-47.6	174.9	-74.1	176.4	-177.1	0	0	111.6	N298 F299 S305 R306	N298-E302 WeakPolarHBondContact O-CG 3.33Å; N298-E302 PolarHBondContact O-N 2.87Å; F299-E302 PolarHBondContact O-N 2.87Å; E302-S305 WeakPolarHBondContact O-CB 3.32Å; E302-S305 PolarHBondContact O-N 3.15Å; E302-R306 WeakPolarHBondContact O-CB 3.49Å; E302-R306 PolarHBondContact O-N 3.06Å
303	D	93.8	Very high	94.9	Very high	65 Å²	65	97.3 Å²	97.3	35%	0.348	52%	0.519	S	S	.	.	H	α-helix	trans	-63.5	-44	175.2	-179.2	44.1	0	0	0	111.6	F299 S305 R306 Q307	F299-D303 WeakPolarHBondContact O-CB 3.46Å; F299-D303 PolarHBondContact O-N 2.94Å; D303-S305 VanDerWaalsContact C-N 3.27Å; D303-S305 PolarHBondContact O-N 2.63Å; D303-R306 WeakPolarHBondContact O-CB 3.31Å; D303-R306 PolarHBondContact O-N 2.99Å; D303-Q307 WeakPolarHBondContact O-CB 3.5Å; D303-Q307 WeakPolarHBondContact O-CG 3.26Å; D303-Q307 PolarHBondContact O-N 3.31Å; D303-Q307 PolarHBondContact OD1-NE2 2.99Å; D303-Q307 VanDerWaalsContact OD1-NE2 3.15Å; D303-Q307 PolarHBondContact OD2-NE2 2.94Å
304	A	94.4	Very high	94.8	Very high	34 Å²	34	94.3 Å²	94.3	28%	0.281	51%	0.511	S	S	.	.	H	α-helix	trans	-62	-33.4	173.3	0	0	0	0	0	112.9	S300 R308	S300-A304 WeakPolarHBondContact O-CB 3.48Å; S300-A304 PolarHBondContact O-N 2.81Å; A304-R308 WeakPolarHBondContact O-CB 3.48Å; A304-R308 VanDerWaalsContact O-CD 3.29Å; A304-R308 WeakPolarHBondContact O-CD 3.4Å; A304-R308 WeakPolarHBondContact O-CG 3.33Å; A304-R308 PolarHBondContact O-N 2.84Å; A304-R308 VanDerWaalsContact O-N 3.12Å
305	S	95.4	Very high	94.8	Very high	76 Å²	76	97.6 Å²	97.6	53%	0.531	52%	0.521	S	S	.	.	H	α-helix	trans	-68.5	-44.9	173.6	-169.3	0	0	0	0	111.4	A301 E302 D303 R308 S309	A301-S305 VanDerWaalsContact O-CB 3.29Å; A301-S305 WeakPolarHBondContact O-CB 3.26Å; A301-S305 PolarHBondContact O-N 3.37Å; E302-S305 WeakPolarHBondContact O-CB 3.32Å; E302-S305 PolarHBondContact O-N 3.15Å; D303-S305 VanDerWaalsContact C-N 3.27Å; D303-S305 PolarHBondContact O-N 2.63Å; S305-R308 PolarHBondContact O-N 2.69Å; S305-S309 PolarHBondContact O-N 2.8Å
306	R	95.3	Very high	94.9	Very high	161 Å²	161	99.4 Å²	99.4	61%	0.608	52%	0.519	S	S	*	.	H	α-helix	trans	-58.8	-53	175	-179.9	-179.1	176.9	158.5	3.1	111.6	E302 D303 R308 S309 E310	E302-R306 WeakPolarHBondContact O-CB 3.49Å; E302-R306 PolarHBondContact O-N 3.06Å; D303-R306 WeakPolarHBondContact O-CB 3.31Å; D303-R306 PolarHBondContact O-N 2.99Å; R306-R308 VanDerWaalsContact C-N 3.28Å; R306-R308 PolarHBondContact O-N 3.04Å; R306-S309 WeakPolarHBondContact O-CA 2.82Å; R306-S309 WeakPolarHBondContact O-CB 3.34Å; R306-S309 PolarHBondContact O-N 3.49Å; R306-E310 HydrophobicContact CG-CG 4.49Å; R306-E310 WeakPolarHBondContact CG-OE1 3.17Å; R306-E310 IonicContact CZ-OE1 2.73Å; R306-E310 IonicContact NE-OE1 3.93Å; R306-E310 PolarHBondContact NE-OE1 3.21Å; R306-E310 IonicContact NH2-OE1 3.1Å; R306-E310 PolarHBondContact NH2-OE1 3.31Å; R306-E310 PolarHBondContact O-N 3.08Å
307	Q	93.7	Very high	95	Very high	97 Å²	97	103.8 Å²	103.8	45%	0.453	52%	0.524	S	S	.	.	H	α-helix	trans	-59.8	-36.2	178.2	-69.4	177.7	21	0	0	112.4	D303 L311	D303-Q307 WeakPolarHBondContact O-CB 3.5Å; D303-Q307 WeakPolarHBondContact O-CG 3.26Å; D303-Q307 PolarHBondContact O-N 3.31Å; D303-Q307 PolarHBondContact OD1-NE2 2.99Å; D303-Q307 VanDerWaalsContact OD1-NE2 3.15Å; D303-Q307 PolarHBondContact OD2-NE2 2.94Å; Q307-L311 VanDerWaalsContact O-CB 3.26Å; Q307-L311 WeakPolarHBondContact O-CB 3.27Å; Q307-L311 WeakPolarHBondContact O-CG 3.25Å; Q307-L311 PolarHBondContact O-N 3.19Å
308	R	95.8	Very high	95	Very high	192 Å²	192	103.8 Å²	103.8	73%	0.725	52%	0.523	S	S	*	.	H	α-helix	trans	-65.1	-39.2	172.9	-76	167.1	-176	-166.1	2.1	112.4	A304 S305 R306 L312	A304-R308 WeakPolarHBondContact O-CB 3.48Å; A304-R308 VanDerWaalsContact O-CD 3.29Å; A304-R308 WeakPolarHBondContact O-CD 3.4Å; A304-R308 WeakPolarHBondContact O-CG 3.33Å; A304-R308 PolarHBondContact O-N 2.84Å; A304-R308 VanDerWaalsContact O-N 3.12Å; S305-R308 PolarHBondContact O-N 2.69Å; R306-R308 VanDerWaalsContact C-N 3.28Å; R306-R308 PolarHBondContact O-N 3.04Å; R308-L312 WeakPolarHBondContact O-CB 3.23Å; R308-L312 PolarHBondContact O-N 3.04Å
309	S	95.8	Very high	95	Very high	65 Å²	65	104.1 Å²	104.1	46%	0.455	53%	0.525	S	S	.	.	H	α-helix	trans	-66.3	-47.5	175.1	-167.5	0	0	0	0	111.5	S305 R306 L311 L312 I313	S305-S309 PolarHBondContact O-N 2.8Å; R306-S309 WeakPolarHBondContact O-CA 2.82Å; R306-S309 WeakPolarHBondContact O-CB 3.34Å; R306-S309 PolarHBondContact O-N 3.49Å; S309-L311 PolarHBondContact O-N 3.04Å; S309-L312 WeakPolarHBondContact O-CB 3.44Å; S309-L312 PolarHBondContact O-N 2.85Å; S309-L312 VanDerWaalsContact O-N 3.13Å; S309-I313 WeakPolarHBondContact O-CG1 3.48Å; S309-I313 PolarHBondContact O-N 3.14Å
310	E	94.8	Very high	95.1	Very high	96 Å²	96	102.8 Å²	102.8	45%	0.449	52%	0.521	S	S	.	.	H	α-helix	trans	-63	-40.7	177.5	-68.8	177.7	-173.5	0	0	111.6	R306 L312 I313 A314	R306-E310 HydrophobicContact CG-CG 4.49Å; R306-E310 WeakPolarHBondContact CG-OE1 3.17Å; R306-E310 IonicContact CZ-OE1 2.73Å; R306-E310 IonicContact NE-OE1 3.93Å; R306-E310 PolarHBondContact NE-OE1 3.21Å; R306-E310 IonicContact NH2-OE1 3.1Å; R306-E310 PolarHBondContact NH2-OE1 3.31Å; R306-E310 PolarHBondContact O-N 3.08Å; E310-L312 PolarHBondContact O-N 2.86Å; E310-I313 PolarHBondContact O-N 3.4Å; E310-A314 WeakPolarHBondContact O-CB 3.42Å; E310-A314 PolarHBondContact O-N 2.85Å
311	L	94.3	Very high	95.3	Very high	106 Å²	106	104.5 Å²	104.5	56%	0.555	52%	0.524	S	S	*	.	H	α-helix	trans	-64.2	-35.7	171.7	-83.1	169.3	0	0	0	113.4	Q307 S309 A314 R315	Q307-L311 VanDerWaalsContact O-CB 3.26Å; Q307-L311 WeakPolarHBondContact O-CB 3.27Å; Q307-L311 WeakPolarHBondContact O-CG 3.25Å; Q307-L311 PolarHBondContact O-N 3.19Å; S309-L311 PolarHBondContact O-N 3.04Å; L311-A314 PolarHBondContact O-N 2.64Å; L311-R315 WeakPolarHBondContact O-CB 3.31Å; L311-R315 VanDerWaalsContact O-CG 3.3Å; L311-R315 WeakPolarHBondContact O-CG 3.41Å; L311-R315 PolarHBondContact O-N 3.4Å
312	L	96.1	Very high	95.3	Very high	98 Å²	98	104.9 Å²	104.9	51%	0.513	52%	0.523	S	S	.	.	H	α-helix	trans	-67.4	-39.9	176.2	-179	63.4	0	0	0	111.2	R308 S309 E310 K316	R308-L312 WeakPolarHBondContact O-CB 3.23Å; R308-L312 PolarHBondContact O-N 3.04Å; S309-L312 WeakPolarHBondContact O-CB 3.44Å; S309-L312 PolarHBondContact O-N 2.85Å; S309-L312 VanDerWaalsContact O-N 3.13Å; E310-L312 PolarHBondContact O-N 2.86Å; L312-K316 WeakPolarHBondContact O-CG 3.32Å; L312-K316 PolarHBondContact O-N 2.86Å; L312-K316 VanDerWaalsContact O-N 3.14Å
313	I	96.3	Very high	95.3	Very high	107 Å²	107	103.8 Å²	103.8	55%	0.549	52%	0.517	S	S	.	.	H	α-helix	trans	-66.4	-45.7	174.3	-65.4	163.6	0	0	0	110.4	S309 E310 R315 K316 R317	S309-I313 WeakPolarHBondContact O-CG1 3.48Å; S309-I313 PolarHBondContact O-N 3.14Å; E310-I313 PolarHBondContact O-N 3.4Å; I313-R315 VanDerWaalsContact C-N 3.34Å; I313-R315 PolarHBondContact O-N 3.07Å; I313-K316 PolarHBondContact O-N 3.46Å; I313-R317 PolarHBondContact O-N 3.08Å
314	A	92.2	Very high	95.4	Very high	55 Å²	55	104.6 Å²	104.6	46%	0.455	52%	0.522	S	S	.	.	H	α-helix	trans	-62.1	-38.6	178.3	0	0	0	0	0	112.7	E310 L311 A318	E310-A314 WeakPolarHBondContact O-CB 3.42Å; E310-A314 PolarHBondContact O-N 2.85Å; L311-A314 PolarHBondContact O-N 2.64Å; A314-A318 WeakPolarHBondContact O-CB 3.45Å; A314-A318 PolarHBondContact O-N 2.84Å
315	R	95.9	Very high	95.4	Very high	173 Å²	173	108.2 Å²	108.2	65%	0.653	54%	0.536	S	S	*	.	H	α-helix	trans	-62.9	-52.5	173.6	-78.6	176.7	178.5	-167.9	-0.8	111.9	L311 I313 R317 A318 D319	L311-R315 WeakPolarHBondContact O-CB 3.31Å; L311-R315 VanDerWaalsContact O-CG 3.3Å; L311-R315 WeakPolarHBondContact O-CG 3.41Å; L311-R315 PolarHBondContact O-N 3.4Å; I313-R315 VanDerWaalsContact C-N 3.34Å; I313-R315 PolarHBondContact O-N 3.07Å; R315-R317 VanDerWaalsContact C-N 3.26Å; R315-R317 PolarHBondContact O-N 2.75Å; R315-A318 CarbonylContact O-C 3.52Å; R315-A318 WeakPolarHBondContact O-CA 3.21Å; R315-A318 WeakPolarHBondContact O-CB 3.39Å; R315-A318 PolarHBondContact O-N 2.76Å; R315-D319 VanDerWaalsContact O-CG 3.3Å; R315-D319 PolarHBondContact O-N 2.9Å
316	K	96.3	Very high	95.4	Very high	116 Å²	116	107.8 Å²	107.8	50%	0.504	53%	0.533	S	S	.	.	H	α-helix	trans	-53	-45.3	176.4	-72.3	177.5	179.9	-174.2	0	111.9	L312 I313 A318 D319 E320	L312-K316 WeakPolarHBondContact O-CG 3.32Å; L312-K316 PolarHBondContact O-N 2.86Å; L312-K316 VanDerWaalsContact O-N 3.14Å; I313-K316 PolarHBondContact O-N 3.46Å; K316-A318 VanDerWaalsContact C-N 3.32Å; K316-A318 PolarHBondContact O-N 3.23Å; K316-D319 PolarHBondContact O-N 3.46Å; K316-E320 WeakPolarHBondContact O-CB 3.3Å; K316-E320 WeakPolarHBondContact O-CG 3.5Å; K316-E320 PolarHBondContact O-N 2.93Å
317	R	96.9	Very high	95.5	Very high	170 Å²	170	104.2 Å²	104.2	64%	0.642	52%	0.522	S	S	*	.	H	α-helix	trans	-64.5	-33.1	177	-171.2	174.1	179.8	173.7	1	113.3	I313 R315 L321	I313-R317 PolarHBondContact O-N 3.08Å; R315-R317 VanDerWaalsContact C-N 3.26Å; R315-R317 PolarHBondContact O-N 2.75Å; R317-L321 HydrophobicContact CG-CD1 4.23Å; R317-L321 WeakPolarHBondContact O-CB 3.36Å; R317-L321 VanDerWaalsContact O-CG 3.23Å; R317-L321 WeakPolarHBondContact O-CG 3.44Å; R317-L321 PolarHBondContact O-N 3.42Å
318	A	94.6	Very high	95.5	Very high	56 Å²	56	104.9 Å²	104.9	46%	0.463	52%	0.523	S	S	.	.	H	α-helix	trans	-71.2	-39.4	173.2	0	0	0	0	0	111.9	A314 R315 K316 L321 S322	A314-A318 WeakPolarHBondContact O-CB 3.45Å; A314-A318 PolarHBondContact O-N 2.84Å; R315-A318 CarbonylContact O-C 3.52Å; R315-A318 WeakPolarHBondContact O-CA 3.21Å; R315-A318 WeakPolarHBondContact O-CB 3.39Å; R315-A318 PolarHBondContact O-N 2.76Å; K316-A318 VanDerWaalsContact C-N 3.32Å; K316-A318 PolarHBondContact O-N 3.23Å; A318-L321 PolarHBondContact O-N 2.97Å; A318-S322 WeakPolarHBondContact O-CB 3.32Å; A318-S322 PolarHBondContact O-N 3.42Å
319	D	96.1	Very high	95.5	Very high	107 Å²	107	99.7 Å²	99.7	57%	0.572	51%	0.509	S	S	*	.	H	α-helix	trans	-65.3	-43.2	175.4	-59.7	-39.7	0	0	0	111.2	R315 K316 S322 H323	R315-D319 VanDerWaalsContact O-CG 3.3Å; R315-D319 PolarHBondContact O-N 2.9Å; K316-D319 PolarHBondContact O-N 3.46Å; D319-S322 PolarHBondContact O-N 3.34Å; D319-H323 WeakPolarHBondContact O-CB 3.5Å; D319-H323 PolarHBondContact O-N 2.93Å
320	E	96.5	Very high	95.5	Very high	116 Å²	116	99.2 Å²	99.2	54%	0.542	51%	0.509	S	S	.	.	H	α-helix	trans	-58.4	-52	172.9	-73.7	159.5	-167.3	0	0	111.7	K316 S322 H323 D324	K316-E320 WeakPolarHBondContact O-CB 3.3Å; K316-E320 WeakPolarHBondContact O-CG 3.5Å; K316-E320 PolarHBondContact O-N 2.93Å; E320-S322 VanDerWaalsContact C-N 3.33Å; E320-S322 PolarHBondContact O-N 3.46Å; E320-H323 PolarHBondContact O-N 3.04Å; E320-D324 PolarHBondContact O-N 3.08Å
321	L	95.1	Very high	95.6	Very high	109 Å²	109	98.8 Å²	98.8	57%	0.571	51%	0.507	S	S	*	.	H	α-helix	trans	-64.8	-34.5	177.9	-73.8	170.5	0	0	0	112.7	R317 A318 L325	R317-L321 HydrophobicContact CG-CD1 4.23Å; R317-L321 WeakPolarHBondContact O-CB 3.36Å; R317-L321 VanDerWaalsContact O-CG 3.23Å; R317-L321 WeakPolarHBondContact O-CG 3.44Å; R317-L321 PolarHBondContact O-N 3.42Å; A318-L321 PolarHBondContact O-N 2.97Å; L321-L325 VanDerWaalsContact O-CB 3.23Å; L321-L325 WeakPolarHBondContact O-CB 3.4Å; L321-L325 PolarHBondContact O-N 2.93Å
322	S	95.7	Very high	95.6	Very high	69 Å²	69	98.6 Å²	98.6	48%	0.483	51%	0.506	S	S	.	.	H	α-helix	trans	-66.6	-40.1	174.9	-175.3	0	0	0	0	112	A318 D319 E320 S326	A318-S322 WeakPolarHBondContact O-CB 3.32Å; A318-S322 PolarHBondContact O-N 3.42Å; D319-S322 PolarHBondContact O-N 3.34Å; E320-S322 VanDerWaalsContact C-N 3.33Å; E320-S322 PolarHBondContact O-N 3.46Å; S322-S326 WeakPolarHBondContact O-CB 3.29Å; S322-S326 PolarHBondContact O-N 3.2Å; S322-S326 PolarHBondContact O-OG 2.82Å
323	H	95.9	Very high	95.6	Very high	112 Å²	112	97.8 Å²	97.8	52%	0.519	50%	0.499	S	S	.	.	H	α-helix	trans	-65.8	-44.6	174.5	-179.4	43.1	0	0	0	111.8	D319 E320 S326 K327	D319-H323 WeakPolarHBondContact O-CB 3.5Å; D319-H323 PolarHBondContact O-N 2.93Å; E320-H323 PolarHBondContact O-N 3.04Å; H323-S326 WeakPolarHBondContact O-CB 3.1Å; H323-S326 PolarHBondContact O-N 2.91Å; H323-K327 VanDerWaalsContact CD2-CE 3.47Å; H323-K327 WeakPolarHBondContact CD2-CE 3.03Å; H323-K327 PolarHBondContact CD2-NZ 2.92Å; H323-K327 VanDerWaalsContact CD2-NZ 3.3Å; H323-K327 WeakPolarHBondContact CE1-CE 3.23Å; H323-K327 WeakPolarHBondContact NE2-CE 3.36Å; H323-K327 PolarHBondContact NE2-NZ 2.88Å; H323-K327 VanDerWaalsContact NE2-NZ 3.2Å; H323-K327 WeakPolarHBondContact O-CG 3.37Å; H323-K327 PolarHBondContact O-N 3.34Å
324	D	96.3	Very high	95.5	Very high	81 Å²	81	98.2 Å²	98.2	43%	0.433	50%	0.502	S	S	.	.	H	α-helix	trans	-70.6	-35.8	177.5	-77.6	-12.2	0	0	0	113.1	E320 S326 K327 K328	E320-D324 PolarHBondContact O-N 3.08Å; D324-S326 VanDerWaalsContact C-N 3.3Å; D324-S326 PolarHBondContact O-N 2.82Å; D324-K327 WeakPolarHBondContact O-CB 3.37Å; D324-K327 PolarHBondContact O-N 3.12Å; D324-K327 WeakPolarHBondContact OD1-CD 3.38Å; D324-K327 WeakPolarHBondContact OD1-CE 3.25Å; D324-K327 IonicContact OD1-NZ 2.64Å; D324-K327 PolarHBondContact OD1-NZ 3.48Å; D324-K328 WeakPolarHBondContact O-CG 3.29Å; D324-K328 PolarHBondContact O-N 3.02Å
325	L	94.5	Very high	95.6	Very high	111 Å²	111	100.7 Å²	100.7	58%	0.581	51%	0.507	S	S	*	.	H	α-helix	trans	-57.9	-45.5	169.6	-174.3	78.5	0	0	0	110.6	L321 K327 K328 I329	L321-L325 VanDerWaalsContact O-CB 3.23Å; L321-L325 WeakPolarHBondContact O-CB 3.4Å; L321-L325 PolarHBondContact O-N 2.93Å; L325-K327 PolarHBondContact O-N 2.98Å; L325-K328 PolarHBondContact O-N 2.95Å; L325-K328 VanDerWaalsContact O-N 3.16Å; L325-I329 HydrophobicContact CD2-CD1 4.39Å; L325-I329 HydrophobicContact CG-CD1 4.04Å; L325-I329 WeakPolarHBondContact O-CG1 3.14Å; L325-I329 PolarHBondContact O-N 2.83Å
326	S	95.3	Very high	95.6	Very high	67 Å²	67	98.7 Å²	98.7	47%	0.469	51%	0.505	S	S	.	.	H	α-helix	trans	-64.2	-38.3	179.1	-61.3	0	0	0	0	112.2	S322 H323 D324 A330	S322-S326 WeakPolarHBondContact O-CB 3.29Å; S322-S326 PolarHBondContact O-N 3.2Å; S322-S326 PolarHBondContact O-OG 2.82Å; H323-S326 WeakPolarHBondContact O-CB 3.1Å; H323-S326 PolarHBondContact O-N 2.91Å; D324-S326 VanDerWaalsContact C-N 3.3Å; D324-S326 PolarHBondContact O-N 2.82Å; S326-A330 PolarHBondContact O-N 3.46Å; S326-A330 VanDerWaalsContact O-N 3.14Å
327	K	96.6	Very high	95.6	Very high	85 Å²	85	99.9 Å²	99.9	37%	0.37	51%	0.507	S	S	.	.	H	α-helix	trans	-60.8	-47.8	169.7	-67.1	170	-162.7	160.7	0	111.4	H323 D324 L325 I329 A330 E331	H323-K327 VanDerWaalsContact CD2-CE 3.47Å; H323-K327 WeakPolarHBondContact CD2-CE 3.03Å; H323-K327 PolarHBondContact CD2-NZ 2.92Å; H323-K327 VanDerWaalsContact CD2-NZ 3.3Å; H323-K327 WeakPolarHBondContact CE1-CE 3.23Å; H323-K327 WeakPolarHBondContact NE2-CE 3.36Å; H323-K327 PolarHBondContact NE2-NZ 2.88Å; H323-K327 VanDerWaalsContact NE2-NZ 3.2Å; H323-K327 WeakPolarHBondContact O-CG 3.37Å; H323-K327 PolarHBondContact O-N 3.34Å; D324-K327 WeakPolarHBondContact O-CB 3.37Å; D324-K327 PolarHBondContact O-N 3.12Å; D324-K327 WeakPolarHBondContact OD1-CD 3.38Å; D324-K327 WeakPolarHBondContact OD1-CE 3.25Å; D324-K327 IonicContact OD1-NZ 2.64Å; D324-K327 PolarHBondContact OD1-NZ 3.48Å; L325-K327 PolarHBondContact O-N 2.98Å; K327-I329 VanDerWaalsContact C-N 3.35Å; K327-I329 PolarHBondContact O-N 3.43Å; K327-A330 PolarHBondContact O-N 3.24Å; K327-A330 VanDerWaalsContact O-N 3.16Å; K327-E331 WeakPolarHBondContact O-CG 3.14Å; K327-E331 PolarHBondContact O-N 3.49Å
328	K	94.3	Very high	95.5	Very high	112 Å²	112	97.5 Å²	97.5	49%	0.487	50%	0.498	S	S	.	.	H	α-helix	trans	-68.3	-31.2	-178	-66.4	-42.9	-173	-169.6	0	113.3	D324 L325 E331 L332	D324-K328 WeakPolarHBondContact O-CG 3.29Å; D324-K328 PolarHBondContact O-N 3.02Å; L325-K328 PolarHBondContact O-N 2.95Å; L325-K328 VanDerWaalsContact O-N 3.16Å; K328-E331 WeakPolarHBondContact CD-OE1 3.43Å; K328-E331 VanDerWaalsContact CD-OE2 3.31Å; K328-E331 WeakPolarHBondContact CD-OE2 3.47Å; K328-E331 IonicContact NZ-OE1 2.63Å; K328-E331 PolarHBondContact NZ-OE1 3.47Å; K328-E331 IonicContact NZ-OE2 2.93Å; K328-E331 PolarHBondContact NZ-OE2 2.93Å; K328-L332 WeakPolarHBondContact O-CB 3.31Å; K328-L332 WeakPolarHBondContact O-CG 3.33Å; K328-L332 PolarHBondContact O-N 3.29Å
329	I	96.7	Very high	95.5	Very high	83 Å²	83	98.4 Å²	98.4	43%	0.426	50%	0.497	S	S	.	.	H	α-helix	trans	-62.3	-48.5	168.8	-68.4	164.6	0	0	0	110.1	L325 K327 E331 L332 E333	L325-I329 HydrophobicContact CD2-CD1 4.39Å; L325-I329 HydrophobicContact CG-CD1 4.04Å; L325-I329 WeakPolarHBondContact O-CG1 3.14Å; L325-I329 PolarHBondContact O-N 2.83Å; K327-I329 VanDerWaalsContact C-N 3.35Å; K327-I329 PolarHBondContact O-N 3.43Å; I329-E331 PolarHBondContact O-N 2.86Å; I329-L332 PolarHBondContact O-N 3.33Å; I329-E333 PolarHBondContact O-N 3.31Å
330	A	95.1	Very high	95.4	Very high	55 Å²	55	95.7 Å²	95.7	46%	0.455	49%	0.49	S	S	.	.	H	α-helix	trans	-64.7	-37.3	178.2	0	0	0	0	0	113.5	S326 K327 L334	S326-A330 PolarHBondContact O-N 3.46Å; S326-A330 VanDerWaalsContact O-N 3.14Å; K327-A330 PolarHBondContact O-N 3.24Å; K327-A330 VanDerWaalsContact O-N 3.16Å; A330-L334 WeakPolarHBondContact O-CB 3.17Å; A330-L334 PolarHBondContact O-N 3.38Å
331	E	96.9	Very high	95.4	Very high	86 Å²	86	94.5 Å²	94.5	40%	0.402	49%	0.487	S	S	.	.	H	α-helix	trans	-63.6	-43.5	172	-74.3	175.6	-142.2	0	0	111.8	K327 K328 I329 L334 L335	K327-E331 WeakPolarHBondContact O-CG 3.14Å; K327-E331 PolarHBondContact O-N 3.49Å; K328-E331 WeakPolarHBondContact CD-OE1 3.43Å; K328-E331 VanDerWaalsContact CD-OE2 3.31Å; K328-E331 WeakPolarHBondContact CD-OE2 3.47Å; K328-E331 IonicContact NZ-OE1 2.63Å; K328-E331 PolarHBondContact NZ-OE1 3.47Å; K328-E331 IonicContact NZ-OE2 2.93Å; K328-E331 PolarHBondContact NZ-OE2 2.93Å; I329-E331 PolarHBondContact O-N 2.86Å; E331-L334 PolarHBondContact O-N 2.88Å; E331-L335 WeakPolarHBondContact O-CB 3.43Å; E331-L335 WeakPolarHBondContact O-CG 3.39Å; E331-L335 PolarHBondContact O-N 2.87Å
332	L	93.5	Very high	95.3	Very high	102 Å²	102	92.7 Å²	92.7	53%	0.534	48%	0.477	S	S	.	.	H	α-helix	trans	-65.6	-42.7	177.4	-75.2	169.5	0	0	0	111.8	K328 I329 L334 L335 Q336	K328-L332 WeakPolarHBondContact O-CB 3.31Å; K328-L332 WeakPolarHBondContact O-CG 3.33Å; K328-L332 PolarHBondContact O-N 3.29Å; I329-L332 PolarHBondContact O-N 3.33Å; L332-L334 VanDerWaalsContact C-N 3.33Å; L332-L334 PolarHBondContact O-N 3.07Å; L332-L335 PolarHBondContact O-N 2.96Å; L332-Q336 WeakPolarHBondContact O-CB 3.23Å; L332-Q336 VanDerWaalsContact O-CG 3.25Å; L332-Q336 WeakPolarHBondContact O-CG 3.46Å; L332-Q336 PolarHBondContact O-N 2.84Å
333	E	96.4	Very high	95.3	Very high	81 Å²	81	95.3 Å²	95.3	38%	0.379	48%	0.482	S	S	.	.	H	α-helix	trans	-60.2	-41.5	173.1	-76.3	-174	-155.5	0	0	112.3	I329 Q336 R337	I329-E333 PolarHBondContact O-N 3.31Å; E333-Q336 PolarHBondContact O-N 3.37Å; E333-R337 WeakPolarHBondContact O-CB 3.38Å; E333-R337 VanDerWaalsContact O-CG 3.28Å; E333-R337 WeakPolarHBondContact O-CG 3.27Å; E333-R337 PolarHBondContact O-N 2.88Å; E333-R337 IonicContact OE2-CZ 3.92Å; E333-R337 IonicContact OE2-NH1 3.67Å; E333-R337 PolarHBondContact OE2-NH1 3.34Å; E333-R337 VanDerWaalsContact OE2-NH1 3.1Å; E333-R337 IonicContact OE2-NH2 2.75Å; E333-R337 PolarHBondContact OE2-NH2 3.37Å
334	L	95.7	Very high	95.2	Very high	117 Å²	117	98.2 Å²	98.2	61%	0.613	49%	0.489	S	S	*	.	H	α-helix	trans	-65.4	-43	178.1	-178.1	64.5	0	0	0	111.5	A330 E331 L332 R338	A330-L334 WeakPolarHBondContact O-CB 3.17Å; A330-L334 PolarHBondContact O-N 3.38Å; E331-L334 PolarHBondContact O-N 2.88Å; L332-L334 VanDerWaalsContact C-N 3.33Å; L332-L334 PolarHBondContact O-N 3.07Å; L334-R338 PolarHBondContact O-N 3Å
335	L	93.7	Very high	95.2	Very high	107 Å²	107	99.1 Å²	99.1	56%	0.56	49%	0.49	S	S	*	.	H	α-helix	trans	-67.1	-41	176.1	-72.3	170.3	0	0	0	111.9	E331 L332 R338 V339	E331-L335 WeakPolarHBondContact O-CB 3.43Å; E331-L335 WeakPolarHBondContact O-CG 3.39Å; E331-L335 PolarHBondContact O-N 2.87Å; L332-L335 PolarHBondContact O-N 2.96Å; L335-R338 PolarHBondContact O-N 3.26Å; L335-V339 WeakPolarHBondContact O-CG2 3.35Å; L335-V339 PolarHBondContact O-N 2.84Å
336	Q	95.9	Very high	95.1	Very high	130 Å²	130	98.1 Å²	98.1	61%	0.607	49%	0.485	S	S	*	.	H	α-helix	trans	-62.2	-43.6	175.1	-76.6	173.1	-5.4	0	0	111.9	L332 E333 R338 V339 A340	L332-Q336 WeakPolarHBondContact O-CB 3.23Å; L332-Q336 VanDerWaalsContact O-CG 3.25Å; L332-Q336 WeakPolarHBondContact O-CG 3.46Å; L332-Q336 PolarHBondContact O-N 2.84Å; E333-Q336 PolarHBondContact O-N 3.37Å; Q336-R338 PolarHBondContact O-N 3.47Å; Q336-V339 PolarHBondContact O-N 3.22Å; Q336-A340 PolarHBondContact O-N 3.15Å
337	R	95.1	Very high	95	Very high	141 Å²	141	97.4 Å²	97.4	53%	0.532	48%	0.483	S	S	.	.	H	α-helix	trans	-58.6	-46.6	171.9	-72.1	169.6	-172.2	125.2	12.5	110.9	E333 V339 A340 D341	E333-R337 WeakPolarHBondContact O-CB 3.38Å; E333-R337 VanDerWaalsContact O-CG 3.28Å; E333-R337 WeakPolarHBondContact O-CG 3.27Å; E333-R337 PolarHBondContact O-N 2.88Å; E333-R337 IonicContact OE2-CZ 3.92Å; E333-R337 IonicContact OE2-NH1 3.67Å; E333-R337 PolarHBondContact OE2-NH1 3.34Å; E333-R337 VanDerWaalsContact OE2-NH1 3.1Å; E333-R337 IonicContact OE2-NH2 2.75Å; E333-R337 PolarHBondContact OE2-NH2 3.37Å; R337-V339 VanDerWaalsContact C-N 3.34Å; R337-V339 PolarHBondContact O-N 3.22Å; R337-A340 PolarHBondContact O-N 3.08Å; R337-D341 VanDerWaalsContact O-CG 3.29Å; R337-D341 PolarHBondContact O-N 2.77Å
338	R	96	Very high	95	Very high	121 Å²	121	97.1 Å²	97.1	46%	0.457	49%	0.486	S	S	.	.	H	α-helix	trans	-65.8	-33.3	179.3	-175.6	54.7	-179.1	141	0.1	113.5	L334 L335 Q336 L342 Q345	L334-R338 PolarHBondContact O-N 3Å; L335-R338 PolarHBondContact O-N 3.26Å; Q336-R338 PolarHBondContact O-N 3.47Å; R338-L342 HydrophobicContact CG-CD1 4.28Å; R338-L342 WeakPolarHBondContact O-CB 3.49Å; R338-L342 VanDerWaalsContact O-CG 3.3Å; R338-L342 WeakPolarHBondContact O-CG 3.44Å; R338-L342 PolarHBondContact O-N 2.83Å; R338-Q345 VanDerWaalsContact NH1-OE1 3.09Å
339	V	94.8	Very high	95	Very high	74 Å²	74	96.7 Å²	96.7	45%	0.448	49%	0.486	S	S	.	.	H	α-helix	trans	-66.2	-49.5	171.9	170.3	0	0	0	0	110.1	L335 Q336 R337 D341 L342 E343	L335-V339 WeakPolarHBondContact O-CG2 3.35Å; L335-V339 PolarHBondContact O-N 2.84Å; Q336-V339 PolarHBondContact O-N 3.22Å; R337-V339 VanDerWaalsContact C-N 3.34Å; R337-V339 PolarHBondContact O-N 3.22Å; V339-D341 VanDerWaalsContact C-N 3.3Å; V339-D341 PolarHBondContact O-N 2.72Å; V339-L342 CarbonylContact O-C 3.54Å; V339-L342 WeakPolarHBondContact O-CB 3.38Å; V339-L342 PolarHBondContact O-N 3.41Å; V339-E343 HydrophobicContact CG1-CG 4.13Å; V339-E343 WeakPolarHBondContact O-CB 3.32Å; V339-E343 WeakPolarHBondContact O-CG 3.37Å; V339-E343 PolarHBondContact O-N 2.86Å
340	A	94.3	Very high	94.9	Very high	51 Å²	51	101.3 Å²	101.3	42%	0.421	50%	0.498	S	S	.	.	H	α-helix	trans	-60.1	-37.8	177.4	0	0	0	0	0	112.8	Q336 R337 R344	Q336-A340 PolarHBondContact O-N 3.15Å; R337-A340 PolarHBondContact O-N 3.08Å; A340-R344 VanDerWaalsContact O-CB 3.27Å; A340-R344 WeakPolarHBondContact O-CB 3.39Å; A340-R344 PolarHBondContact O-N 2.78Å
341	D	94.6	Very high	94.9	Very high	90 Å²	90	104.8 Å²	104.8	48%	0.481	50%	0.502	S	S	.	.	H	α-helix	trans	-64	-41.9	172.8	-69.8	-32	0	0	0	111.9	R337 V339 R344 Q345	R337-D341 VanDerWaalsContact O-CG 3.29Å; R337-D341 PolarHBondContact O-N 2.77Å; V339-D341 VanDerWaalsContact C-N 3.3Å; V339-D341 PolarHBondContact O-N 2.72Å; D341-R344 PolarHBondContact O-N 2.94Å; D341-Q345 WeakPolarHBondContact O-CB 3.29Å; D341-Q345 VanDerWaalsContact O-CG 3.24Å; D341-Q345 WeakPolarHBondContact O-CG 3.33Å; D341-Q345 PolarHBondContact O-N 2.88Å
342	L	93.8	Very high	94.7	Very high	71 Å²	71	105.3 Å²	105.3	37%	0.372	51%	0.508	S	S	.	.	H	α-helix	trans	-69.8	-40.8	177.6	-79.2	168.8	0	0	0	112.6	R338 V339 R344 Q345 L346	R338-L342 HydrophobicContact CG-CD1 4.28Å; R338-L342 WeakPolarHBondContact O-CB 3.49Å; R338-L342 VanDerWaalsContact O-CG 3.3Å; R338-L342 WeakPolarHBondContact O-CG 3.44Å; R338-L342 PolarHBondContact O-N 2.83Å; V339-L342 CarbonylContact O-C 3.54Å; V339-L342 WeakPolarHBondContact O-CB 3.38Å; V339-L342 PolarHBondContact O-N 3.41Å; L342-R344 VanDerWaalsContact C-N 3.3Å; L342-Q345 PolarHBondContact O-N 3.33Å; L342-L346 WeakPolarHBondContact O-CB 3.24Å; L342-L346 WeakPolarHBondContact O-CG 2.84Å; L342-L346 PolarHBondContact O-N 3.13Å
343	E	95.5	Very high	94.6	Very high	125 Å²	125	106.6 Å²	106.6	58%	0.584	51%	0.51	S	S	*	.	H	α-helix	trans	-62.5	-40.1	174.4	-72.7	173.8	160.6	0	0	110.7	V339 L346 A347	V339-E343 HydrophobicContact CG1-CG 4.13Å; V339-E343 WeakPolarHBondContact O-CB 3.32Å; V339-E343 WeakPolarHBondContact O-CG 3.37Å; V339-E343 PolarHBondContact O-N 2.86Å; E343-L346 PolarHBondContact O-N 3.08Å; E343-A347 WeakPolarHBondContact O-CB 3.36Å; E343-A347 PolarHBondContact O-N 3.03Å
344	R	95.2	Very high	94.6	Very high	173 Å²	173	109.5 Å²	109.5	65%	0.653	52%	0.523	S	S	*	.	H	α-helix	trans	-64.9	-47.4	172.6	-174.1	175.6	-172.2	144.1	6.7	112.3	A340 D341 L342 L346 A347 D348	A340-R344 VanDerWaalsContact O-CB 3.27Å; A340-R344 WeakPolarHBondContact O-CB 3.39Å; A340-R344 PolarHBondContact O-N 2.78Å; D341-R344 PolarHBondContact O-N 2.94Å; L342-R344 VanDerWaalsContact C-N 3.3Å; R344-L346 VanDerWaalsContact C-N 3.31Å; R344-L346 PolarHBondContact O-N 3Å; R344-A347 PolarHBondContact O-N 2.87Å; R344-A347 VanDerWaalsContact O-N 3.1Å; R344-D348 PolarHBondContact O-N 2.88Å
345	Q	95.2	Very high	94.5	Very high	99 Å²	99	107 Å²	107	46%	0.463	52%	0.515	S	S	.	.	H	α-helix	trans	-56.3	-45.6	175.3	-75.8	178.3	-49.1	0	0	111.1	R338 D341 L342 A347 D348 E349	R338-Q345 VanDerWaalsContact NH1-OE1 3.09Å; D341-Q345 WeakPolarHBondContact O-CB 3.29Å; D341-Q345 VanDerWaalsContact O-CG 3.24Å; D341-Q345 WeakPolarHBondContact O-CG 3.33Å; D341-Q345 PolarHBondContact O-N 2.88Å; L342-Q345 PolarHBondContact O-N 3.33Å; Q345-A347 PolarHBondContact O-N 2.92Å; Q345-D348 PolarHBondContact O-N 3Å; Q345-E349 WeakPolarHBondContact O-CB 3.45Å; Q345-E349 WeakPolarHBondContact O-CG 3.3Å; Q345-E349 PolarHBondContact O-N 2.98Å
346	L	92.6	Very high	94.5	Very high	90 Å²	90	106.8 Å²	106.8	47%	0.471	51%	0.511	S	S	.	.	H	α-helix	trans	-66.5	-32.2	175.9	-73.7	169.1	0	0	0	113.4	L342 E343 R344 R350	L342-L346 WeakPolarHBondContact O-CB 3.24Å; L342-L346 WeakPolarHBondContact O-CG 2.84Å; L342-L346 PolarHBondContact O-N 3.13Å; E343-L346 PolarHBondContact O-N 3.08Å; R344-L346 VanDerWaalsContact C-N 3.31Å; R344-L346 PolarHBondContact O-N 3Å; L346-R350 VanDerWaalsContact O-CB 3.29Å; L346-R350 WeakPolarHBondContact O-CB 3.16Å; L346-R350 VanDerWaalsContact O-CD 3.25Å; L346-R350 WeakPolarHBondContact O-CD 3.28Å; L346-R350 WeakPolarHBondContact O-CG 3.43Å; L346-R350 PolarHBondContact O-N 3.32Å
347	A	93.8	Very high	94.4	Very high	53 Å²	53	105.5 Å²	105.5	44%	0.438	51%	0.508	S	S	.	.	H	α-helix	trans	-71.3	-43.2	175.8	0	0	0	0	0	112	E343 R344 Q345 R350 K351	E343-A347 WeakPolarHBondContact O-CB 3.36Å; E343-A347 PolarHBondContact O-N 3.03Å; R344-A347 PolarHBondContact O-N 2.87Å; R344-A347 VanDerWaalsContact O-N 3.1Å; Q345-A347 PolarHBondContact O-N 2.92Å; A347-R350 PolarHBondContact O-N 2.99Å; A347-K351 WeakPolarHBondContact O-CB 3.34Å; A347-K351 PolarHBondContact O-N 3.26Å; A347-K351 VanDerWaalsContact O-N 3.07Å
348	D	95.1	Very high	94.4	Very high	78 Å²	78	103.6 Å²	103.6	42%	0.417	51%	0.508	S	S	.	.	H	α-helix	trans	-66.1	-44.7	175.7	-71.4	-38.1	0	0	0	110.7	R344 Q345 R350 K351 D352	R344-D348 PolarHBondContact O-N 2.88Å; Q345-D348 PolarHBondContact O-N 3Å; D348-R350 PolarHBondContact O-N 3.41Å; D348-K351 WeakPolarHBondContact O-CB 3.46Å; D348-K351 PolarHBondContact O-N 3.17Å; D348-D352 PolarHBondContact O-N 2.79Å
349	E	94.3	Very high	94.4	Very high	104 Å²	104	104.5 Å²	104.5	49%	0.486	52%	0.515	S	S	.	.	H	α-helix	trans	-58	-46.1	172.8	-77.7	178.1	-177.9	0	0	112.6	Q345 K351 D352 F353	Q345-E349 WeakPolarHBondContact O-CB 3.45Å; Q345-E349 WeakPolarHBondContact O-CG 3.3Å; Q345-E349 PolarHBondContact O-N 2.98Å; E349-K351 VanDerWaalsContact C-N 3.3Å; E349-K351 PolarHBondContact O-N 2.84Å; E349-D352 PolarHBondContact O-N 3.16Å; E349-F353 HydrophobicContact CB-CE2 4.28Å; E349-F353 WeakPolarHBondContact O-CD2 3.5Å; E349-F353 PolarHBondContact O-N 3.41Å
350	R	94.8	Very high	94.2	Very high	180 Å²	180	106.6 Å²	106.6	68%	0.679	52%	0.521	S	S	*	.	H	α-helix	trans	-59	-42	177.3	-80.1	165.7	-179.7	-88.9	0.2	112.1	L346 A347 D348 F353 E354	L346-R350 VanDerWaalsContact O-CB 3.29Å; L346-R350 WeakPolarHBondContact O-CB 3.16Å; L346-R350 VanDerWaalsContact O-CD 3.25Å; L346-R350 WeakPolarHBondContact O-CD 3.28Å; L346-R350 WeakPolarHBondContact O-CG 3.43Å; L346-R350 PolarHBondContact O-N 3.32Å; A347-R350 PolarHBondContact O-N 2.99Å; D348-R350 PolarHBondContact O-N 3.41Å; R350-F353 PolarHBondContact O-N 3.4Å; R350-E354 WeakPolarHBondContact O-CB 3.46Å; R350-E354 PolarHBondContact O-N 3.07Å
351	K	94.9	Very high	94.2	Very high	127 Å²	127	112.4 Å²	112.4	55%	0.552	53%	0.531	S	S	*	.	H	α-helix	trans	-66.9	-37.7	178.3	179.7	-174.3	172	-167.4	0	112	A347 D348 E349 E354 S355	A347-K351 WeakPolarHBondContact O-CB 3.34Å; A347-K351 PolarHBondContact O-N 3.26Å; A347-K351 VanDerWaalsContact O-N 3.07Å; D348-K351 WeakPolarHBondContact O-CB 3.46Å; D348-K351 PolarHBondContact O-N 3.17Å; E349-K351 VanDerWaalsContact C-N 3.3Å; E349-K351 PolarHBondContact O-N 2.84Å; K351-E354 PolarHBondContact O-N 3.23Å; K351-S355 WeakPolarHBondContact O-CB 3.35Å; K351-S355 PolarHBondContact O-N 3.32Å; K351-S355 PolarHBondContact O-OG 2.77Å
352	D	94.2	Very high	94.2	Very high	97 Å²	97	113.5 Å²	113.5	52%	0.519	53%	0.534	S	S	.	.	H	α-helix	trans	-67.6	-42.3	174.1	-78.4	-6.4	0	0	0	111.4	D348 E349 S355 Q356	D348-D352 PolarHBondContact O-N 2.79Å; E349-D352 PolarHBondContact O-N 3.16Å; D352-S355 PolarHBondContact O-N 3.33Å; D352-Q356 VanDerWaalsContact O-CG 3.27Å; D352-Q356 WeakPolarHBondContact O-CG 3.41Å; D352-Q356 PolarHBondContact O-N 3.02Å
353	F	91.4	Very high	94.2	Very high	130 Å²	130	113.4 Å²	113.4	57%	0.57	53%	0.532	S	S	*	.	H	α-helix	trans	-64.4	-39.9	173.3	-70.5	-55.6	0	0	0	112.8	E349 R350 S355 Q356 L357	E349-F353 HydrophobicContact CB-CE2 4.28Å; E349-F353 WeakPolarHBondContact O-CD2 3.5Å; E349-F353 PolarHBondContact O-N 3.41Å; R350-F353 PolarHBondContact O-N 3.4Å; F353-S355 VanDerWaalsContact C-N 3.34Å; F353-Q356 PolarHBondContact O-N 2.79Å; F353-L357 VanDerWaalsContact O-CB 3.32Å; F353-L357 WeakPolarHBondContact O-CB 3.43Å; F353-L357 PolarHBondContact O-N 2.93Å
354	E	95.7	Very high	94	Very high	142 Å²	142	111 Å²	111	66%	0.664	53%	0.525	S	S	*	.	H	α-helix	trans	-63.7	-40.4	174.7	-176.2	170.9	-158.2	0	0	111.5	R350 K351 L357 L358	R350-E354 WeakPolarHBondContact O-CB 3.46Å; R350-E354 PolarHBondContact O-N 3.07Å; K351-E354 PolarHBondContact O-N 3.23Å; E354-L357 PolarHBondContact O-N 3.28Å; E354-L358 WeakPolarHBondContact O-CB 3.31Å; E354-L358 PolarHBondContact O-N 2.8Å
355	S	93.2	Very high	94	Very high	64 Å²	64	106 Å²	106	45%	0.448	51%	0.511	S	S	.	.	H	α-helix	trans	-65.2	-42.5	175.5	-57.9	0	0	0	0	112.1	K351 D352 F353 L358 F359	K351-S355 WeakPolarHBondContact O-CB 3.35Å; K351-S355 PolarHBondContact O-N 3.32Å; K351-S355 PolarHBondContact O-OG 2.77Å; D352-S355 PolarHBondContact O-N 3.33Å; F353-S355 VanDerWaalsContact C-N 3.34Å; S355-L358 PolarHBondContact O-N 3.15Å; S355-F359 WeakPolarHBondContact O-CB 3.18Å; S355-F359 PolarHBondContact O-N 3.09Å
356	Q	94	Very high	93.9	Very high	102 Å²	102	106 Å²	106	48%	0.477	51%	0.507	S	S	.	.	H	α-helix	trans	-63.5	-43	173.7	-71.8	169.8	41.8	0	0	111.9	D352 F353 F359 Q360	D352-Q356 VanDerWaalsContact O-CG 3.27Å; D352-Q356 WeakPolarHBondContact O-CG 3.41Å; D352-Q356 PolarHBondContact O-N 3.02Å; F353-Q356 PolarHBondContact O-N 2.79Å; Q356-F359 PolarHBondContact O-N 3.1Å; Q356-Q360 WeakPolarHBondContact O-CG 3.34Å; Q356-Q360 PolarHBondContact O-N 2.86Å
357	L	93.7	Very high	93.8	Very high	103 Å²	103	105.8 Å²	105.8	54%	0.539	51%	0.506	S	S	.	.	H	α-helix	trans	-64.6	-41.7	177.3	-176.2	68.3	0	0	0	111.3	F353 E354 Q360 R361	F353-L357 VanDerWaalsContact O-CB 3.32Å; F353-L357 WeakPolarHBondContact O-CB 3.43Å; F353-L357 PolarHBondContact O-N 2.93Å; E354-L357 PolarHBondContact O-N 3.28Å; L357-Q360 PolarHBondContact O-N 3.49Å; L357-R361 VanDerWaalsContact O-CB 3.23Å; L357-R361 WeakPolarHBondContact O-CB 3.2Å; L357-R361 PolarHBondContact O-N 3.41Å
358	L	95.8	Very high	93.7	Very high	101 Å²	101	108 Å²	108	53%	0.529	51%	0.506	S	S	.	.	H	α-helix	trans	-61	-46.7	175.4	-178.8	63.9	0	0	0	111.2	E354 S355 R361 Q362	E354-L358 WeakPolarHBondContact O-CB 3.31Å; E354-L358 PolarHBondContact O-N 2.8Å; S355-L358 PolarHBondContact O-N 3.15Å; L358-R361 PolarHBondContact O-N 2.86Å; L358-Q362 WeakPolarHBondContact O-CG 3.26Å; L358-Q362 PolarHBondContact O-N 3.35Å
359	F	95.7	Very high	93.6	Very high	140 Å²	140	110.2 Å²	110.2	61%	0.614	51%	0.514	S	S	*	.	H	α-helix	trans	-61	-47.7	176.4	179.9	-97.8	0	0	0	112	S355 Q356 R361 Q362 E363	S355-F359 WeakPolarHBondContact O-CB 3.18Å; S355-F359 PolarHBondContact O-N 3.09Å; Q356-F359 PolarHBondContact O-N 3.1Å; F359-R361 VanDerWaalsContact C-N 3.26Å; F359-R361 PolarHBondContact O-N 2.89Å; F359-Q362 WeakPolarHBondContact O-CB 3.4Å; F359-Q362 PolarHBondContact O-N 3.05Å; F359-E363 PolarHBondContact O-N 3.19Å
360	Q	91.4	Very high	93.6	Very high	119 Å²	119	109.5 Å²	109.5	56%	0.556	51%	0.51	S	S	*	.	H	α-helix	trans	-60.9	-34.6	174.8	-73.4	-180	4.7	0	0	112.4	Q356 L357 E363 V364	Q356-Q360 WeakPolarHBondContact O-CG 3.34Å; Q356-Q360 PolarHBondContact O-N 2.86Å; L357-Q360 PolarHBondContact O-N 3.49Å; Q360-E363 PolarHBondContact O-N 3.46Å; Q360-V364 WeakPolarHBondContact O-CB 3.42Å; Q360-V364 VanDerWaalsContact O-CG2 3.26Å; Q360-V364 WeakPolarHBondContact O-CG2 3.23Å; Q360-V364 PolarHBondContact O-N 3.5Å
361	R	94	Very high	93.3	Very high	172 Å²	172	105.8 Å²	105.8	65%	0.649	50%	0.503	S	S	*	.	H	α-helix	trans	-73.7	-32.1	178.8	-158.7	172.8	-164.3	167.9	3.3	112.4	L357 L358 F359 N365	L357-R361 VanDerWaalsContact O-CB 3.23Å; L357-R361 WeakPolarHBondContact O-CB 3.2Å; L357-R361 PolarHBondContact O-N 3.41Å; L358-R361 PolarHBondContact O-N 2.86Å; F359-R361 VanDerWaalsContact C-N 3.26Å; F359-R361 PolarHBondContact O-N 2.89Å; R361-N365 VanDerWaalsContact O-CG 3.29Å; R361-N365 PolarHBondContact O-N 3.07Å
362	Q	94.4	Very high	93.2	Very high	113 Å²	113	105.3 Å²	105.3	53%	0.528	50%	0.503	S	S	.	.	H	α-helix	trans	-66.9	-47.5	168.6	-71.6	170.7	-6.7	0	0	110.8	L358 F359 V364 N365 R366	L358-Q362 WeakPolarHBondContact O-CG 3.26Å; L358-Q362 PolarHBondContact O-N 3.35Å; F359-Q362 WeakPolarHBondContact O-CB 3.4Å; F359-Q362 PolarHBondContact O-N 3.05Å; Q362-V364 PolarHBondContact O-N 3.38Å; Q362-N365 WeakPolarHBondContact O-CA 3.34Å; Q362-N365 PolarHBondContact O-N 3.06Å; Q362-R366 PolarHBondContact O-N 3.25Å
363	E	94.2	Very high	93.2	Very high	70 Å²	70	105.6 Å²	105.6	33%	0.327	50%	0.501	S	S	.	.	H	α-helix	trans	-62.1	-41.9	178.2	179.6	67.3	168.1	0	0	112.5	F359 Q360 N365 R366 L367	F359-E363 PolarHBondContact O-N 3.19Å; Q360-E363 PolarHBondContact O-N 3.46Å; E363-N365 PolarHBondContact O-N 3.22Å; E363-R366 PolarHBondContact O-N 3.01Å; E363-R366 IonicContact OE1-CZ 3.9Å; E363-R366 IonicContact OE1-NE 2.68Å; E363-R366 IonicContact OE1-NH2 3.79Å; E363-R366 PolarHBondContact OE1-NH2 2.8Å; E363-R366 IonicContact OE2-CZ 2.92Å; E363-R366 IonicContact OE2-NE 3.34Å; E363-R366 PolarHBondContact OE2-NE 3.48Å; E363-R366 IonicContact OE2-NH2 3.73Å; E363-R366 PolarHBondContact OE2-NH2 3.21Å; E363-R366 VanDerWaalsContact OE2-NH2 3.1Å; E363-L367 HydrophobicContact CG-CD1 4.21Å; E363-L367 WeakPolarHBondContact O-CB 3.18Å; E363-L367 WeakPolarHBondContact O-CG 3.47Å; E363-L367 PolarHBondContact O-N 2.92Å
364	V	91.4	Very high	93	Very high	73 Å²	73	102.6 Å²	102.6	44%	0.442	50%	0.496	S	S	.	.	H	α-helix	trans	-65.2	-26.6	173.4	164.5	0	0	0	0	112.3	Q360 Q362 K368	Q360-V364 WeakPolarHBondContact O-CB 3.42Å; Q360-V364 VanDerWaalsContact O-CG2 3.26Å; Q360-V364 WeakPolarHBondContact O-CG2 3.23Å; Q360-V364 PolarHBondContact O-N 3.5Å; Q362-V364 PolarHBondContact O-N 3.38Å; V364-K368 WeakPolarHBondContact O-CD 3.42Å; V364-K368 WeakPolarHBondContact O-CG 3.4Å; V364-K368 PolarHBondContact O-N 3.41Å
365	N	94.3	Very high	92.9	Very high	69 Å²	69	102 Å²	102	37%	0.369	49%	0.492	S	S	.	.	H	α-helix	trans	-79.4	-42.9	172.8	-74.7	-4.1	0	0	0	111.5	R361 Q362 E363 L367 K368 E369	R361-N365 VanDerWaalsContact O-CG 3.29Å; R361-N365 PolarHBondContact O-N 3.07Å; Q362-N365 WeakPolarHBondContact O-CA 3.34Å; Q362-N365 PolarHBondContact O-N 3.06Å; E363-N365 PolarHBondContact O-N 3.22Å; N365-L367 VanDerWaalsContact C-N 3.33Å; N365-L367 PolarHBondContact O-N 2.86Å; N365-K368 WeakPolarHBondContact O-CA 3.36Å; N365-K368 WeakPolarHBondContact O-CB 3.45Å; N365-K368 PolarHBondContact O-N 2.85Å; N365-K368 PolarHBondContact OD1-NZ 2.98Å; N365-E369 WeakPolarHBondContact O-CG 3.4Å; N365-E369 PolarHBondContact O-N 3.06Å
366	R	93.8	Very high	92.9	Very high	98 Å²	98	104.5 Å²	104.5	37%	0.37	49%	0.491	S	S	.	.	H	α-helix	trans	-53.3	-49.5	172.2	-175.5	-175.8	69.7	79.7	2.6	111.5	Q362 E363 K368 E369 E370	Q362-R366 PolarHBondContact O-N 3.25Å; E363-R366 PolarHBondContact O-N 3.01Å; E363-R366 IonicContact OE1-CZ 3.9Å; E363-R366 IonicContact OE1-NE 2.68Å; E363-R366 IonicContact OE1-NH2 3.79Å; E363-R366 PolarHBondContact OE1-NH2 2.8Å; E363-R366 IonicContact OE2-CZ 2.92Å; E363-R366 IonicContact OE2-NE 3.34Å; E363-R366 PolarHBondContact OE2-NE 3.48Å; E363-R366 IonicContact OE2-NH2 3.73Å; E363-R366 PolarHBondContact OE2-NH2 3.21Å; E363-R366 VanDerWaalsContact OE2-NH2 3.1Å; R366-K368 VanDerWaalsContact C-N 3.26Å; R366-K368 PolarHBondContact O-N 3.24Å; R366-E369 PolarHBondContact O-N 2.85Å; R366-E370 WeakPolarHBondContact CG-OE1 3.5Å; R366-E370 IonicContact CZ-OE1 2.84Å; R366-E370 IonicContact CZ-OE2 3.93Å; R366-E370 IonicContact NH1-OE1 3.22Å; R366-E370 PolarHBondContact NH1-OE1 2.84Å; R366-E370 IonicContact NH1-OE2 3.66Å; R366-E370 PolarHBondContact NH1-OE2 2.82Å; R366-E370 WeakPolarHBondContact O-CB 3.43Å; R366-E370 WeakPolarHBondContact O-CG 3.41Å; R366-E370 PolarHBondContact O-N 3.35Å
367	L	90.2	Very high	92.8	Very high	87 Å²	87	105.9 Å²	105.9	46%	0.455	50%	0.498	S	S	.	.	H	α-helix	trans	-66.2	-23.5	178.3	-69.2	171	0	0	0	113.6	E363 N365 L371	E363-L367 HydrophobicContact CG-CD1 4.21Å; E363-L367 WeakPolarHBondContact O-CB 3.18Å; E363-L367 WeakPolarHBondContact O-CG 3.47Å; E363-L367 PolarHBondContact O-N 2.92Å; N365-L367 VanDerWaalsContact C-N 3.33Å; N365-L367 PolarHBondContact O-N 2.86Å; L367-L371 VanDerWaalsContact O-CB 3.24Å; L367-L371 WeakPolarHBondContact O-CB 3.18Å; L367-L371 PolarHBondContact O-N 3.47Å; L367-L371 VanDerWaalsContact O-N 3.16Å
368	K	90.8	Very high	92.5	Very high	100 Å²	100	107 Å²	107	44%	0.435	50%	0.498	S	S	.	.	H	α-helix	trans	-78	-42	169.9	-74.2	166.2	-166.8	162.3	0	111.8	V364 N365 R366 E370 L371 E372	V364-K368 WeakPolarHBondContact O-CD 3.42Å; V364-K368 WeakPolarHBondContact O-CG 3.4Å; V364-K368 PolarHBondContact O-N 3.41Å; N365-K368 WeakPolarHBondContact O-CA 3.36Å; N365-K368 WeakPolarHBondContact O-CB 3.45Å; N365-K368 PolarHBondContact O-N 2.85Å; N365-K368 PolarHBondContact OD1-NZ 2.98Å; R366-K368 VanDerWaalsContact C-N 3.26Å; R366-K368 PolarHBondContact O-N 3.24Å; K368-E370 VanDerWaalsContact C-N 3.31Å; K368-E370 PolarHBondContact O-N 2.81Å; K368-L371 CarbonylContact O-C 3.6Å; K368-L371 PolarHBondContact O-N 2.85Å; K368-E372 WeakPolarHBondContact O-CB 3.38Å; K368-E372 WeakPolarHBondContact O-CG 3.26Å; K368-E372 PolarHBondContact O-N 3.42Å
369	E	93.1	Very high	92.2	Very high	124 Å²	124	105.3 Å²	105.3	58%	0.579	49%	0.492	S	S	*	.	H	α-helix	trans	-61.9	-42.4	178.1	-72.4	165.1	-159.1	0	0	110.2	N365 R366 E372 E373	N365-E369 WeakPolarHBondContact O-CG 3.4Å; N365-E369 PolarHBondContact O-N 3.06Å; R366-E369 PolarHBondContact O-N 2.85Å; E369-E372 PolarHBondContact O-N 3.4Å; E369-E373 WeakPolarHBondContact O-CB 3.09Å; E369-E373 PolarHBondContact O-N 3.47Å
370	E	93.7	Very high	91.9	Very high	89 Å²	89	103.5 Å²	103.5	42%	0.416	49%	0.489	S	S	.	.	H	α-helix	trans	-64.5	-38.7	172	-72.1	169.1	-172.5	0	0	112.8	R366 K368 E373 S374	R366-E370 WeakPolarHBondContact CG-OE1 3.5Å; R366-E370 IonicContact CZ-OE1 2.84Å; R366-E370 IonicContact CZ-OE2 3.93Å; R366-E370 IonicContact NH1-OE1 3.22Å; R366-E370 PolarHBondContact NH1-OE1 2.84Å; R366-E370 IonicContact NH1-OE2 3.66Å; R366-E370 PolarHBondContact NH1-OE2 2.82Å; R366-E370 WeakPolarHBondContact O-CB 3.43Å; R366-E370 WeakPolarHBondContact O-CG 3.41Å; R366-E370 PolarHBondContact O-N 3.35Å; K368-E370 VanDerWaalsContact C-N 3.31Å; K368-E370 PolarHBondContact O-N 2.81Å; E370-E373 PolarHBondContact O-N 2.96Å; E370-S374 WeakPolarHBondContact O-CB 3.3Å; E370-S374 PolarHBondContact O-N 3.12Å
371	L	89.1	Confident	91.8	Very high	102 Å²	102	103.3 Å²	103.3	53%	0.534	49%	0.491	S	S	.	.	H	α-helix	trans	-69.8	-39.8	175.1	179.5	63.2	0	0	0	112.3	L367 K368 E373 S374 F375	L367-L371 VanDerWaalsContact O-CB 3.24Å; L367-L371 WeakPolarHBondContact O-CB 3.18Å; L367-L371 PolarHBondContact O-N 3.47Å; L367-L371 VanDerWaalsContact O-N 3.16Å; K368-L371 CarbonylContact O-C 3.6Å; K368-L371 PolarHBondContact O-N 2.85Å; L371-E373 VanDerWaalsContact C-N 3.34Å; L371-S374 PolarHBondContact O-N 3.16Å; L371-F375 HydrophobicContact CD1-CD2 4.12Å; L371-F375 HydrophobicContact CD1-CE2 4.32Å; L371-F375 HydrophobicContact CG-CD2 4.29Å; L371-F375 WeakPolarHBondContact O-CB 3.45Å; L371-F375 PolarHBondContact O-N 2.78Å
372	E	93.9	Very high	91.4	Very high	116 Å²	116	99.4 Å²	99.4	54%	0.542	48%	0.482	S	S	.	.	H	α-helix	trans	-66.7	-36.3	174.4	-75.8	-175.9	-164	0	0	111.3	K368 E369 F375 R376	K368-E372 WeakPolarHBondContact O-CB 3.38Å; K368-E372 WeakPolarHBondContact O-CG 3.26Å; K368-E372 PolarHBondContact O-N 3.42Å; E369-E372 PolarHBondContact O-N 3.4Å; E372-F375 PolarHBondContact O-N 3.07Å; E372-R376 WeakPolarHBondContact O-CG 3.44Å; E372-R376 PolarHBondContact O-N 3.15Å; E372-R376 IonicContact OE2-NH1 2.66Å
373	E	93.7	Very high	91	Very high	104 Å²	104	98 Å²	98	49%	0.486	48%	0.478	S	S	.	.	H	α-helix	trans	-61.6	-52.3	171.7	-168.7	125.7	-87.9	0	0	111.4	E369 E370 L371 F375 R376 E377	E369-E373 WeakPolarHBondContact O-CB 3.09Å; E369-E373 PolarHBondContact O-N 3.47Å; E370-E373 PolarHBondContact O-N 2.96Å; L371-E373 VanDerWaalsContact C-N 3.34Å; E373-F375 PolarHBondContact O-N 2.97Å; E373-R376 WeakPolarHBondContact O-CA 3.4Å; E373-R376 WeakPolarHBondContact O-CB 3.31Å; E373-R376 PolarHBondContact O-N 3.08Å; E373-R376 IonicContact OE1-CZ 2.65Å; E373-R376 IonicContact OE1-NH2 3.89Å; E373-R376 PolarHBondContact OE1-NH2 3.46Å; E373-E377 WeakPolarHBondContact O-CG 2.99Å; E373-E377 PolarHBondContact O-N 2.99Å
374	S	87.8	Confident	90.6	Very high	66 Å²	66	98.3 Å²	98.3	46%	0.462	49%	0.485	S	S	.	.	H	α-helix	trans	-60	-33.6	175.5	-170	0	0	0	0	112.4	E370 L371 F378	E370-S374 WeakPolarHBondContact O-CB 3.3Å; E370-S374 PolarHBondContact O-N 3.12Å; L371-S374 PolarHBondContact O-N 3.16Å; S374-F378 VanDerWaalsContact O-CB 3.29Å; S374-F378 WeakPolarHBondContact O-CB 3.3Å; S374-F378 PolarHBondContact O-N 2.93Å
375	F	92.1	Very high	90.5	Very high	129 Å²	129	99.6 Å²	99.6	57%	0.566	48%	0.484	S	S	*	.	H	α-helix	trans	-69.2	-36.2	171.8	-106.8	-78.2	0	0	0	113.3	L371 E372 E373 T379	L371-F375 HydrophobicContact CD1-CD2 4.12Å; L371-F375 HydrophobicContact CD1-CE2 4.32Å; L371-F375 HydrophobicContact CG-CD2 4.29Å; L371-F375 WeakPolarHBondContact O-CB 3.45Å; L371-F375 PolarHBondContact O-N 2.78Å; E372-F375 PolarHBondContact O-N 3.07Å; E373-F375 PolarHBondContact O-N 2.97Å; F375-T379 VanDerWaalsContact O-CB 3.26Å; F375-T379 WeakPolarHBondContact O-CB 3.48Å; F375-T379 PolarHBondContact O-N 3.23Å; F375-T379 PolarHBondContact O-OG1 3.11Å
376	R	93.2	Very high	89.9	Confident	118 Å²	118	99.6 Å²	99.6	45%	0.445	48%	0.483	S	S	.	.	H	α-helix	trans	-63.7	-50.8	172.3	-72.6	-178.9	-64.6	-98	8.2	110.2	E372 E373 F378 T379 D380	E372-R376 WeakPolarHBondContact O-CG 3.44Å; E372-R376 PolarHBondContact O-N 3.15Å; E372-R376 IonicContact OE2-NH1 2.66Å; E373-R376 WeakPolarHBondContact O-CA 3.4Å; E373-R376 WeakPolarHBondContact O-CB 3.31Å; E373-R376 PolarHBondContact O-N 3.08Å; E373-R376 IonicContact OE1-CZ 2.65Å; E373-R376 IonicContact OE1-NH2 3.89Å; E373-R376 PolarHBondContact OE1-NH2 3.46Å; R376-F378 PolarHBondContact O-N 2.84Å; R376-T379 PolarHBondContact O-N 2.72Å; R376-T379 VanDerWaalsContact O-N 3.11Å; R376-D380 PolarHBondContact O-N 3.06Å
377	E	91.9	Very high	89.6	Confident	131 Å²	131	97.1 Å²	97.1	61%	0.612	48%	0.484	S	S	*	.	H	α-helix	trans	-56.5	-47.6	176.5	-67.9	-176.7	146.7	0	0	112.2	E373 T379 D380 L381	E373-E377 WeakPolarHBondContact O-CG 2.99Å; E373-E377 PolarHBondContact O-N 2.99Å; E377-T379 VanDerWaalsContact C-N 3.32Å; E377-T379 PolarHBondContact O-N 3.21Å; E377-D380 PolarHBondContact O-N 2.8Å; E377-L381 WeakPolarHBondContact O-CB 3.28Å; E377-L381 PolarHBondContact O-N 3.06Å
378	F	88	Confident	89.2	Confident	125 Å²	125	97.7 Å²	97.7	55%	0.548	49%	0.487	S	S	.	.	H	α-helix	trans	-64.2	-36.5	176.7	-178	-93.3	0	0	0	112.2	S374 R376 L381 M382	S374-F378 VanDerWaalsContact O-CB 3.29Å; S374-F378 WeakPolarHBondContact O-CB 3.3Å; S374-F378 PolarHBondContact O-N 2.93Å; R376-F378 PolarHBondContact O-N 2.84Å; F378-L381 PolarHBondContact O-N 2.83Å; F378-M382 WeakPolarHBondContact O-CB 3.45Å; F378-M382 PolarHBondContact O-N 2.89Å
379	T	89.7	Confident	88.8	Confident	66 Å²	66	96 Å²	96	41%	0.405	48%	0.483	S	S	.	.	H	α-helix	trans	-67.5	-40.9	177.4	-59.2	0	0	0	0	111.1	F375 R376 E377 M382 N383	F375-T379 VanDerWaalsContact O-CB 3.26Å; F375-T379 WeakPolarHBondContact O-CB 3.48Å; F375-T379 PolarHBondContact O-N 3.23Å; F375-T379 PolarHBondContact O-OG1 3.11Å; R376-T379 PolarHBondContact O-N 2.72Å; R376-T379 VanDerWaalsContact O-N 3.11Å; E377-T379 VanDerWaalsContact C-N 3.32Å; E377-T379 PolarHBondContact O-N 3.21Å; T379-M382 CarbonylContact O-C 3.59Å; T379-M382 WeakPolarHBondContact O-CB 3.26Å; T379-M382 PolarHBondContact O-N 2.82Å; T379-N383 WeakPolarHBondContact O-CB 3.31Å; T379-N383 PolarHBondContact O-N 3.5Å; T379-N383 PolarHBondContact O-ND2 3.17Å
380	D	89	Confident	88.2	Confident	102 Å²	102	96 Å²	96	55%	0.545	48%	0.483	S	S	.	.	H	α-helix	trans	-71.7	-32.6	175.2	-80.6	-15.4	0	0	0	113.1	R376 E377 M382 N383 T384	R376-D380 PolarHBondContact O-N 3.06Å; E377-D380 PolarHBondContact O-N 2.8Å; D380-M382 VanDerWaalsContact C-N 3.31Å; D380-M382 PolarHBondContact O-N 3.48Å; D380-N383 PolarHBondContact O-N 3.39Å; D380-N383 PolarHBondContact OD1-ND2 3.47Å; D380-N383 VanDerWaalsContact OD1-ND2 3.13Å; D380-T384 WeakPolarHBondContact O-CB 3.46Å; D380-T384 WeakPolarHBondContact O-CG2 3.48Å; D380-T384 PolarHBondContact O-N 2.77Å; D380-T384 PolarHBondContact O-OG1 3.35Å
381	L	90.1	Very high	87.8	Confident	115 Å²	115	96.8 Å²	96.8	60%	0.602	49%	0.487	S	S	*	.	H	α-helix	trans	-64	-36.9	168.3	-172.8	62.2	0	0	0	111.7	E377 F378 T384 K385	E377-L381 WeakPolarHBondContact O-CB 3.28Å; E377-L381 PolarHBondContact O-N 3.06Å; F378-L381 PolarHBondContact O-N 2.83Å; L381-T384 WeakPolarHBondContact CA-OG1 3.33Å; L381-T384 PolarHBondContact O-OG1 3.22Å; L381-K385 VanDerWaalsContact O-CB 3.25Å; L381-K385 WeakPolarHBondContact O-CB 2.8Å; L381-K385 PolarHBondContact O-N 2.97Å
382	M	85.4	Confident	87	Confident	91 Å²	91	96 Å²	96	45%	0.448	48%	0.482	S	S	.	.	H	α-helix	trans	-72.3	-37.7	174.4	-168.7	64.1	167.6	0	0	112	F378 T379 D380 K385 I386	F378-M382 WeakPolarHBondContact O-CB 3.45Å; F378-M382 PolarHBondContact O-N 2.89Å; T379-M382 CarbonylContact O-C 3.59Å; T379-M382 WeakPolarHBondContact O-CB 3.26Å; T379-M382 PolarHBondContact O-N 2.82Å; D380-M382 VanDerWaalsContact C-N 3.31Å; D380-M382 PolarHBondContact O-N 3.48Å; M382-K385 PolarHBondContact O-N 2.9Å; M382-I386 HydrophobicContact CG-CD1 4.16Å; M382-I386 WeakPolarHBondContact O-CB 3.26Å; M382-I386 VanDerWaalsContact O-CG1 3.26Å; M382-I386 WeakPolarHBondContact O-CG1 3.39Å; M382-I386 PolarHBondContact O-N 3.42Å
383	N	85.3	Confident	86.2	Confident	82 Å²	82	95 Å²	95	44%	0.439	48%	0.48	S	S	.	.	H	α-helix	trans	-63.6	-46.2	175.2	-70.6	-30.6	0	0	0	111.1	T379 D380 I386 A387	T379-N383 WeakPolarHBondContact O-CB 3.31Å; T379-N383 PolarHBondContact O-N 3.5Å; T379-N383 PolarHBondContact O-ND2 3.17Å; D380-N383 PolarHBondContact O-N 3.39Å; D380-N383 PolarHBondContact OD1-ND2 3.47Å; D380-N383 VanDerWaalsContact OD1-ND2 3.13Å; N383-I386 PolarHBondContact O-N 3.34Å; N383-A387 PolarHBondContact O-N 3.25Å
384	T	86.2	Confident	85.4	Confident	78 Å²	78	96.2 Å²	96.2	48%	0.479	49%	0.487	S	S	.	.	H	α-helix	trans	-65.6	-37.6	174.9	49.1	0	0	0	0	111.9	D380 L381 I386 A387 L388	D380-T384 WeakPolarHBondContact O-CB 3.46Å; D380-T384 WeakPolarHBondContact O-CG2 3.48Å; D380-T384 PolarHBondContact O-N 2.77Å; D380-T384 PolarHBondContact O-OG1 3.35Å; L381-T384 WeakPolarHBondContact CA-OG1 3.33Å; L381-T384 PolarHBondContact O-OG1 3.22Å; T384-I386 PolarHBondContact O-N 3Å; T384-A387 PolarHBondContact O-N 3Å; T384-L388 WeakPolarHBondContact O-CG 3.39Å; T384-L388 PolarHBondContact O-N 3.3Å
385	K	90.3	Very high	84.7	Confident	100 Å²	100	100 Å²	100	44%	0.435	49%	0.492	S	S	.	.	H	α-helix	trans	-61.2	-41.4	171	-169.2	-88.2	175.1	-171.2	0	112.4	L381 M382 L388 D389	L381-K385 VanDerWaalsContact O-CB 3.25Å; L381-K385 WeakPolarHBondContact O-CB 2.8Å; L381-K385 PolarHBondContact O-N 2.97Å; M382-K385 PolarHBondContact O-N 2.9Å; K385-L388 PolarHBondContact O-N 2.86Å; K385-D389 VanDerWaalsContact NZ-CG 3.33Å; K385-D389 IonicContact NZ-OD1 3.69Å; K385-D389 PolarHBondContact NZ-OD1 2.95Å; K385-D389 IonicContact NZ-OD2 3.25Å; K385-D389 PolarHBondContact NZ-OD2 2.81Å; K385-D389 PolarHBondContact O-N 3.25Å
386	I	81.9	Confident	83.6	Confident	68 Å²	68	100.7 Å²	100.7	35%	0.349	49%	0.491	S	S	.	.	H	α-helix	trans	-67.9	-37.2	175.9	-70.8	164.1	0	0	0	111.3	M382 N383 T384 D389 Q390	M382-I386 HydrophobicContact CG-CD1 4.16Å; M382-I386 WeakPolarHBondContact O-CB 3.26Å; M382-I386 VanDerWaalsContact O-CG1 3.26Å; M382-I386 WeakPolarHBondContact O-CG1 3.39Å; M382-I386 PolarHBondContact O-N 3.42Å; N383-I386 PolarHBondContact O-N 3.34Å; T384-I386 PolarHBondContact O-N 3Å; I386-D389 PolarHBondContact O-N 3.25Å; I386-Q390 WeakPolarHBondContact O-CG 3.34Å; I386-Q390 PolarHBondContact O-N 3.49Å
387	A	86.9	Confident	82.4	Confident	47 Å²	47	102.4 Å²	102.4	39%	0.388	50%	0.502	S	S	.	.	H	α-helix	trans	-62.2	-46.1	173.7	0	0	0	0	0	111.3	N383 T384 Q390 E391	N383-A387 PolarHBondContact O-N 3.25Å; T384-A387 PolarHBondContact O-N 3Å; A387-Q390 WeakPolarHBondContact O-CB 3.18Å; A387-Q390 PolarHBondContact O-N 2.88Å; A387-Q390 VanDerWaalsContact O-N 3.1Å; A387-E391 PolarHBondContact O-N 2.83Å
388	L	81.6	Confident	81.5	Confident	98 Å²	98	102.1 Å²	102.1	51%	0.513	50%	0.502	S	S	.	.	H	α-helix	trans	-63.6	-39.9	175.1	-68.8	169.4	0	0	0	112.5	T384 K385 Q390 E391 I392	T384-L388 WeakPolarHBondContact O-CG 3.39Å; T384-L388 PolarHBondContact O-N 3.3Å; K385-L388 PolarHBondContact O-N 2.86Å; L388-Q390 VanDerWaalsContact C-N 3.28Å; L388-Q390 PolarHBondContact O-N 3.45Å; L388-E391 PolarHBondContact O-N 3.4Å; L388-I392 WeakPolarHBondContact O-CB 3.47Å; L388-I392 WeakPolarHBondContact O-CD1 3.14Å; L388-I392 VanDerWaalsContact O-CG1 3.23Å; L388-I392 WeakPolarHBondContact O-CG1 3.39Å; L388-I392 PolarHBondContact O-N 2.91Å
389	D	82.3	Confident	80	Confident	64 Å²	64	101.8 Å²	101.8	34%	0.342	51%	0.505	S	S	.	.	H	α-helix	trans	-59.6	-38.4	171.2	-80.2	-11.5	0	0	0	111.7	K385 I386 I392 L393	K385-D389 VanDerWaalsContact NZ-CG 3.33Å; K385-D389 IonicContact NZ-OD1 3.69Å; K385-D389 PolarHBondContact NZ-OD1 2.95Å; K385-D389 IonicContact NZ-OD2 3.25Å; K385-D389 PolarHBondContact NZ-OD2 2.81Å; K385-D389 PolarHBondContact O-N 3.25Å; I386-D389 PolarHBondContact O-N 3.25Å; D389-I392 PolarHBondContact O-N 3.1Å; D389-L393 WeakPolarHBondContact O-CB 3.25Å; D389-L393 WeakPolarHBondContact O-CG 3.34Å; D389-L393 PolarHBondContact O-N 2.81Å
390	Q	80.2	Confident	78.7	Confident	126 Å²	126	103.2 Å²	103.2	59%	0.589	51%	0.507	S	S	*	.	H	α-helix	trans	-70.8	-37.9	176.9	-74	-177.2	30.7	0	0	112.5	I386 A387 L388 L393 M394	I386-Q390 WeakPolarHBondContact O-CG 3.34Å; I386-Q390 PolarHBondContact O-N 3.49Å; A387-Q390 WeakPolarHBondContact O-CB 3.18Å; A387-Q390 PolarHBondContact O-N 2.88Å; A387-Q390 VanDerWaalsContact O-N 3.1Å; L388-Q390 VanDerWaalsContact C-N 3.28Å; L388-Q390 PolarHBondContact O-N 3.45Å; Q390-L393 CarbonylContact O-C 3.59Å; Q390-L393 PolarHBondContact O-N 3.33Å; Q390-M394 PolarHBondContact O-N 2.82Å
391	E	85	Confident	77.3	Confident	105 Å²	105	100.5 Å²	100.5	49%	0.491	50%	0.503	S	S	.	.	H	α-helix	trans	-61.8	-46.2	170.6	-71.6	-178.5	-177.3	0	0	111	A387 L388 L393 M394 Y395	A387-E391 PolarHBondContact O-N 2.83Å; L388-E391 PolarHBondContact O-N 3.4Å; E391-L393 VanDerWaalsContact C-N 3.3Å; E391-L393 PolarHBondContact O-N 3.24Å; E391-M394 CarbonylContact O-C 3.57Å; E391-M394 WeakPolarHBondContact O-CA 3.31Å; E391-M394 WeakPolarHBondContact O-CB 3.48Å; E391-M394 PolarHBondContact O-N 2.87Å; E391-Y395 HydrophobicContact CB-CE2 4.23Å; E391-Y395 WeakPolarHBondContact O-CD2 3.22Å; E391-Y395 PolarHBondContact O-N 3.25Å
392	I	73.5	Confident	75.9	Confident	85 Å²	85	99.9 Å²	99.9	44%	0.436	50%	0.497	S	S	.	.	H	α-helix	trans	-58.9	-40.4	174.3	-68.5	163.5	0	0	0	111.1	L388 D389 M394 Y395 R396	L388-I392 WeakPolarHBondContact O-CB 3.47Å; L388-I392 WeakPolarHBondContact O-CD1 3.14Å; L388-I392 VanDerWaalsContact O-CG1 3.23Å; L388-I392 WeakPolarHBondContact O-CG1 3.39Å; L388-I392 PolarHBondContact O-N 2.91Å; D389-I392 PolarHBondContact O-N 3.1Å; I392-M394 VanDerWaalsContact C-N 3.33Å; I392-Y395 PolarHBondContact O-N 2.59Å; I392-R396 WeakPolarHBondContact O-CB 3.43Å; I392-R396 WeakPolarHBondContact O-CG 3.27Å; I392-R396 PolarHBondContact O-N 3.17Å
393	L	76.6	Confident	74.1	Confident	95 Å²	95	102.2 Å²	102.2	50%	0.497	51%	0.507	S	S	.	.	H	α-helix	trans	-66.7	-31.5	172.5	-77.9	167.8	0	0	0	112.9	D389 Q390 E391 K397	D389-L393 WeakPolarHBondContact O-CB 3.25Å; D389-L393 WeakPolarHBondContact O-CG 3.34Å; D389-L393 PolarHBondContact O-N 2.81Å; Q390-L393 CarbonylContact O-C 3.59Å; Q390-L393 PolarHBondContact O-N 3.33Å; E391-L393 VanDerWaalsContact C-N 3.3Å; E391-L393 PolarHBondContact O-N 3.24Å; L393-K397 WeakPolarHBondContact O-CB 3.44Å; L393-K397 PolarHBondContact O-N 3.47Å
394	M	76.1	Confident	72.2	Confident	129 Å²	129	101.2 Å²	101.2	64%	0.635	51%	0.507	S	S	*	.	H	α-helix	trans	-71.2	-42.3	175	-128.3	-176.4	75.6	0	0	111.6	Q390 E391 I392 K397 M398	Q390-M394 PolarHBondContact O-N 2.82Å; E391-M394 CarbonylContact O-C 3.57Å; E391-M394 WeakPolarHBondContact O-CA 3.31Å; E391-M394 WeakPolarHBondContact O-CB 3.48Å; E391-M394 PolarHBondContact O-N 2.87Å; I392-M394 VanDerWaalsContact C-N 3.33Å; M394-K397 PolarHBondContact O-N 3.1Å; M394-M398 PolarHBondContact O-N 2.96Å
395	Y	72.9	Confident	70.7	Confident	146 Å²	146	105.1 Å²	105.1	57%	0.573	51%	0.513	S	S	*	.	H	α-helix	trans	-62.7	-40.7	171.6	-66.8	-61.5	0	0	0	111.7	E391 I392 M398 L399	E391-Y395 HydrophobicContact CB-CE2 4.23Å; E391-Y395 WeakPolarHBondContact O-CD2 3.22Å; E391-Y395 PolarHBondContact O-N 3.25Å; I392-Y395 PolarHBondContact O-N 2.59Å; Y395-M398 WeakPolarHBondContact O-CB 3.42Å; Y395-M398 PolarHBondContact O-N 3.36Å; Y395-L399 PolarHBondContact O-N 3.23Å
396	R	69.9	Low	68.4	Low	143 Å²	143	106.6 Å²	106.6	54%	0.54	52%	0.524	S	S	.	.	H	α-helix	trans	-60.1	-49.4	171.7	-76.6	177.3	-179.3	177	1.8	112	I392 M398 L399 E400	I392-R396 WeakPolarHBondContact O-CB 3.43Å; I392-R396 WeakPolarHBondContact O-CG 3.27Å; I392-R396 PolarHBondContact O-N 3.17Å; R396-M398 PolarHBondContact O-N 3.44Å; R396-L399 CarbonylContact O-C 3.54Å; R396-L399 WeakPolarHBondContact O-CB 3.26Å; R396-L399 PolarHBondContact O-N 2.83Å; R396-E400 WeakPolarHBondContact O-CB 3.41Å; R396-E400 VanDerWaalsContact O-CG 3.32Å; R396-E400 WeakPolarHBondContact O-CG 3.22Å; R396-E400 PolarHBondContact O-N 2.91Å
397	K	68.8	Low	66.3	Low	154 Å²	154	110.2 Å²	110.2	67%	0.67	55%	0.545	S	S	*	.	H	α-helix	trans	-57.2	-33.2	175.5	-93.5	-177.4	170.6	178.2	0	113.8	L393 M394 G401	L393-K397 WeakPolarHBondContact O-CB 3.44Å; L393-K397 PolarHBondContact O-N 3.47Å; M394-K397 PolarHBondContact O-N 3.1Å; K397-G401 PolarHBondContact O-N 3.43Å
398	M	71.9	Confident	63.9	Low	125 Å²	125	115.5 Å²	115.5	62%	0.616	57%	0.566	S	S	*	*	H	α-helix	trans	-68.7	-36.3	176.9	-157	-179.4	-57.4	0	0	111.8	M394 Y395 R396	M394-M398 PolarHBondContact O-N 2.96Å; Y395-M398 WeakPolarHBondContact O-CB 3.42Å; Y395-M398 PolarHBondContact O-N 3.36Å; R396-M398 PolarHBondContact O-N 3.44Å
399	L	56.5	Low	61.5	Low	118 Å²	118	116 Å²	116	62%	0.618	57%	0.573	S	S	*	*	H	α-helix	trans	-76.4	-45.3	174.1	-66.2	165.5	0	0	0	112	Y395 R396 G401 E402 E403	Y395-L399 PolarHBondContact O-N 3.23Å; R396-L399 CarbonylContact O-C 3.54Å; R396-L399 WeakPolarHBondContact O-CB 3.26Å; R396-L399 PolarHBondContact O-N 2.83Å; L399-G401 PolarHBondContact O-N 3.18Å; L399-E402 WeakPolarHBondContact O-CA 3.34Å; L399-E402 WeakPolarHBondContact O-CB 3.33Å; L399-E402 PolarHBondContact O-N 3.16Å; L399-E403 PolarHBondContact O-N 3.29Å
400	E	63.5	Low	59.1	Low	96 Å²	96	118.8 Å²	118.8	45%	0.449	59%	0.594	S	S	.	*	H	α-helix	trans	-57.6	-34.3	175	-71.5	166.2	-171.6	0	0	111.7	R396 S404	R396-E400 WeakPolarHBondContact O-CB 3.41Å; R396-E400 VanDerWaalsContact O-CG 3.32Å; R396-E400 WeakPolarHBondContact O-CG 3.22Å; R396-E400 PolarHBondContact O-N 2.91Å; E400-S404 WeakPolarHBondContact O-CB 3.35Å; E400-S404 PolarHBondContact O-N 2.83Å; E400-S404 PolarHBondContact O-OG 2.96Å
401	G	59.5	Low	56.6	Low	45 Å²	45	117.1 Å²	117.1	46%	0.464	60%	0.602	S	S	.	*	H	α-helix	trans	-66.9	-32.9	173.7	0	0	0	0	0	113.8	K397 L399	K397-G401 PolarHBondContact O-N 3.43Å; L399-G401 PolarHBondContact O-N 3.18Å
402	E	60.1	Low	54	Low	102 Å²	102	117.2 Å²	117.2	48%	0.477	61%	0.612	S	S	.	*	H	α-helix	trans	-76.6	-40.2	176.4	-169.4	62.7	-164.2	0	0	111	L399 R405	L399-E402 WeakPolarHBondContact O-CA 3.34Å; L399-E402 WeakPolarHBondContact O-CB 3.33Å; L399-E402 PolarHBondContact O-N 3.16Å; E402-R405 PolarHBondContact O-N 3.04Å; E402-R405 IonicContact OE1-CZ 3.22Å; E402-R405 VanDerWaalsContact OE1-CZ 3.22Å; E402-R405 IonicContact OE1-NH1 2.91Å; E402-R405 PolarHBondContact OE1-NH1 2.9Å; E402-R405 IonicContact OE1-NH2 2.68Å; E402-R405 PolarHBondContact OE1-NH2 2.78Å; E402-R405 IonicContact OE2-CZ 3.73Å; E402-R405 IonicContact OE2-NH1 2.72Å; E402-R405 PolarHBondContact OE2-NH1 3.4Å; E402-R405 IonicContact OE2-NH2 3.94Å
403	E	48.2	Very low	52	Low	140 Å²	140	123.2 Å²	123.2	65%	0.654	63%	0.629	S	S	*	*	H	α-helix	trans	-68.9	-34	173.3	-67.3	-172	153.1	0	0	112.9	L399 R405 L406	L399-E403 PolarHBondContact O-N 3.29Å; E403-R405 PolarHBondContact O-N 3.4Å; E403-R405 VanDerWaalsContact O-N 3.13Å; E403-L406 WeakPolarHBondContact O-CB 3.33Å; E403-L406 PolarHBondContact O-N 3.29Å
404	S	44.5	Very low	49.8	Very low	61 Å²	61	125 Å²	125	43%	0.427	64%	0.639	S	S	.	*	G	3₁₀ helix	trans	-62.4	-19.6	176.8	-66.3	0	0	0	0	113.1	E400 L406	E400-S404 WeakPolarHBondContact O-CB 3.35Å; E400-S404 PolarHBondContact O-N 2.83Å; E400-S404 PolarHBondContact O-OG 2.96Å; S404-L406 PolarHBondContact O-N 2.84Å
405	R	54.9	Low	47.7	Very low	161 Å²	161	123.2 Å²	123.2	61%	0.608	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-73	-6.3	171.9	-156.3	177.4	63.5	-117.7	-6.1	113.2	E402 E403	E402-R405 PolarHBondContact O-N 3.04Å; E402-R405 IonicContact OE1-CZ 3.22Å; E402-R405 VanDerWaalsContact OE1-CZ 3.22Å; E402-R405 IonicContact OE1-NH1 2.91Å; E402-R405 PolarHBondContact OE1-NH1 2.9Å; E402-R405 IonicContact OE1-NH2 2.68Å; E402-R405 PolarHBondContact OE1-NH2 2.78Å; E402-R405 IonicContact OE2-CZ 3.73Å; E402-R405 IonicContact OE2-NH1 2.72Å; E402-R405 PolarHBondContact OE2-NH1 3.4Å; E402-R405 IonicContact OE2-NH2 3.94Å; E403-R405 PolarHBondContact O-N 3.4Å; E403-R405 VanDerWaalsContact O-N 3.13Å
406	L	42.8	Very low	45.8	Very low	130 Å²	130	122.4 Å²	122.4	68%	0.681	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-113	12.2	180	-63.3	175.2	0	0	0	114.3	E403 S404	E403-L406 WeakPolarHBondContact O-CB 3.33Å; E403-L406 PolarHBondContact O-N 3.29Å; S404-L406 PolarHBondContact O-N 2.84Å
407	N	37.7	Very low	43.9	Very low	145 Å²	145	124.7 Å²	124.7	78%	0.775	67%	0.666	S	S	*	*			trans	57.1	50.4	168	-69.1	-34	0	0	0	116.4
408	L	35.8	Very low	42.2	Very low	158 Å²	158	124.8 Å²	124.8	83%	0.827	67%	0.674	S	S	*	*			trans	-120.1	68	170.9	-73.8	171.2	0	0	0	111.3
409	T	30.7	Very low	40.3	Very low	108 Å²	108	125.6 Å²	125.6	66%	0.663	68%	0.679	S	S	*	*			trans	-145.1	89	-171.6	-38	0	0	0	0	115.4
410	P	31.8	Very low	39.4	Very low	122 Å²	122	125.2 Å²	125.2	79%	0.792	68%	0.684	S	S	*	*			trans	-140.4	155.9	147.1	38	-25	0	0	0	113
411	A	28.2	Very low	37.9	Very low	91 Å²	91	126.2 Å²	126.2	75%	0.752	70%	0.696	S	S	*	*			cis	-159.4	154.5	-20.6	0	0	0	0	0	108.4
412	P	30.7	Very low	36.8	Very low	107 Å²	107	134 Å²	134	70%	0.695	72%	0.717	S	S	*	*			trans	-99.8	-173.5	-170.1	39.7	-37.6	0	0	0	114.6
413	R	30.8	Very low	35.5	Very low	211 Å²	211	140.2 Å²	140.2	80%	0.796	74%	0.736	S	S	*	*			trans	112.4	148.1	168.2	-66.2	153.8	-158.2	-75.2	1.2	114
414	D	30.8	Very low	34.8	Very low	133 Å²	133	144.9 Å²	144.9	71%	0.711	75%	0.748	S	S	*	*			cis	-150.9	147.8	-8.8	-93.8	-30.9	0	0	0	107.5
415	S	31.4	Very low	34.3	Very low	92 Å²	92	153.6 Å²	153.6	64%	0.643	77%	0.771	S	S	*	*				56.5	125.3	79.4	-151.2	0	0	0	0	114.5
416	P	34	Very low	33.4	Very low	128 Å²	128	152 Å²	152	83%	0.831	78%	0.779	S	S	*	*				-153.7	-174.6	76.7	41.5	-20.3	0	0	0	118.7
417	F	29.3	Very low	33.1	Very low	192 Å²	192	153.9 Å²	153.9	84%	0.842	79%	0.79	S	S	*	*			trans	-91	168.3	-174.1	-76.5	-124.3	0	0	0	115.6
418	N	32.6	Very low	32.9	Very low	155 Å²	155	150.1 Å²	150.1	83%	0.829	79%	0.786	S	S	*	*				-176.3	176.3	106.4	-140.1	-15.7	0	0	0	116.6
419	I	32.4	Very low	32.9	Very low	143 Å²	143	151.1 Å²	151.1	73%	0.733	79%	0.792	S	S	*	*			trans	-127.4	-157.3	-175.4	-0.5	172.1	0	0	0	109.7
420	P	38.8	Very low	32.9	Very low	109 Å²	109	154.6 Å²	154.6	71%	0.708	80%	0.798	S	S	*	*			cis	-139.4	161.3	1.6	42.6	-23.1	0	0	0	119.7
421	V	32.1	Very low	33	Very low	118 Å²	118	156.7 Å²	156.7	72%	0.715	80%	0.798	S	S	*	*			trans	38	140.4	133.7	-174.2	0	0	0	0	123.6
422	K	35	Very low	33.1	Very low	207 Å²	207	155.5 Å²	155.5	90%	0.9	79%	0.794	S	S	*	*			trans	-148.7	161.6	154.9	-138.5	167.1	-173.4	173.4	0	114.2
423	R	33.1	Very low	33	Very low	234 Å²	234	157.5 Å²	157.5	88%	0.883	80%	0.799	S	S	*	*			trans	-150.7	150.5	-174	-76.2	177.5	162.7	137.3	-8.2	114.4
424	R	34.5	Very low	33	Very low	237 Å²	237	154.8 Å²	154.8	89%	0.894	80%	0.795	S	S	*	*			trans	-166.7	126.3	159.4	-122.7	173.8	69.3	104.7	1.3	106.6
425	R	33.8	Very low	32.9	Very low	244 Å²	244	152.7 Å²	152.7	92%	0.921	79%	0.791	S	S	*	*				92.6	150.2	53.5	-96.5	-167.5	-172.7	175.8	3.8	114.6
426	V	35.9	Very low	32.8	Very low	127 Å²	127	155.8 Å²	155.8	77%	0.77	80%	0.8	S	S	*	*			trans	-126	152.6	-155.3	170.2	0	0	0	0	110.2
427	D	35.9	Very low	32.6	Very low	170 Å²	170	153.9 Å²	153.9	91%	0.909	80%	0.796	S	S	*	*			trans	-149.5	165.2	158.5	-73.1	-58.8	0	0	0	109.4
428	G	33.4	Very low	32.7	Very low	67 Å²	67	150.6 Å²	150.6	69%	0.691	80%	0.796	S	S	*	*			trans	175.1	160.1	176.7	0	0	0	0	0	112.7
429	D	35.8	Very low	32.6	Very low	178 Å²	178	150.3 Å²	150.3	95%	0.952	79%	0.794	S	S	*	*			trans	-143.3	159.1	-172.4	-78.7	-59.9	0	0	0	113.4
430	F	30.9	Very low	32.5	Very low	181 Å²	181	149.8 Å²	149.8	79%	0.794	80%	0.798	S	S	*	*			trans	-156	132.9	179.4	165	-84.2	0	0	0	111.4
431	E	33.9	Very low	32	Very low	167 Å²	167	148.6 Å²	148.6	78%	0.78	81%	0.805	S	S	*	*			trans	-166.3	157.7	157.8	-82.5	-50.9	149	0	0	104.6
432	G	30.7	Very low	31.8	Very low	65 Å²	65	147.3 Å²	147.3	67%	0.67	81%	0.807	S	S	*	*			cis	115.2	142	32.4	0	0	0	0	0	108.5
433	D	28.3	Very low	31.3	Very low	150 Å²	150	143 Å²	143	80%	0.802	80%	0.803	S	S	*	*			cis	-165.1	166	-10.1	-174.3	31.4	0	0	0	110.9
434	E	30.7	Very low	31.6	Very low	153 Å²	153	141.5 Å²	141.5	72%	0.715	80%	0.799	S	S	*	*			trans	56.9	-178.4	156.4	-97	-65.9	167.4	0	0	121.5
435	S	29	Very low	31.3	Very low	89 Å²	89	136.1 Å²	136.1	62%	0.622	80%	0.797	S	S	*	*			trans	-146.4	164.1	-154.3	72.4	0	0	0	0	112.4
436	N	29.3	Very low	31.4	Very low	157 Å²	157	129 Å²	129	84%	0.84	79%	0.785	S	S	*	*			trans	-159.5	142	145.5	-133.1	-63.7	0	0	0	112.3
437	A	28.3	Very low	31.5	Very low	89 Å²	89	128.7 Å²	128.7	74%	0.736	79%	0.788	S	S	*	*			trans	-128.6	128.9	172.2	0	0	0	0	0	109.2
438	S	31.8	Very low	32	Very low	123 Å²	123	130.5 Å²	130.5	86%	0.86	78%	0.782	S	S	*	*			trans	-134.2	131.9	173.1	-164.1	0	0	0	0	109.8
439	L	31.9	Very low	32.8	Very low	148 Å²	148	132.4 Å²	132.4	78%	0.775	78%	0.781	S	S	*	*			trans	-125.5	146.3	-169.4	-88.6	163.2	0	0	0	111.1
440	T	28.9	Very low	34	Very low	133 Å²	133	133.6 Å²	133.6	82%	0.816	77%	0.772	S	S	*	*			trans	51.4	102.5	152.3	56.4	0	0	0	0	118.5
441	G	28.6	Very low	36	Very low	84 Å²	84	128.8 Å²	128.8	87%	0.866	75%	0.751	S	S	*	*			trans	-123.3	117.7	150.6	0	0	0	0	0	109.5
442	A	27.3	Very low	38	Very low	90 Å²	90	122.7 Å²	122.7	74%	0.744	73%	0.729	S	S	*	*			trans	-148.7	153.9	-174.9	0	0	0	0	0	112.5
443	S	26	Very low	40.4	Very low	118 Å²	118	123.1 Å²	123.1	83%	0.825	71%	0.711	S	S	*	*			trans	69.9	153.1	-171.8	-44.3	0	0	0	0	113.5
444	Y	38.9	Very low	43	Very low	202 Å²	202	123.3 Å²	123.3	79%	0.792	70%	0.701	S	S	*	*			cis	-141.1	150.6	12	41.1	-89.4	0	0	0	111.3	S446	Y444-S446 PolarHBondContact O-N 3.06Å
445	S	28.4	Very low	45.5	Very low	123 Å²	123	118.1 Å²	118.1	86%	0.86	68%	0.68	S	S	*	*			trans	-75.8	116.1	175.4	-172.4	0	0	0	0	110.5
446	S	35.7	Very low	48.2	Very low	95 Å²	95	116.1 Å²	116.1	66%	0.664	67%	0.666	S	S	*	*			trans	-103.7	122.6	176.2	-170.4	0	0	0	0	110.4	Y444 R448	Y444-S446 PolarHBondContact O-N 3.06Å; S446-R448 PolarHBondContact O-N 3.13Å
447	S	37.5	Very low	51	Low	120 Å²	120	111 Å²	111	84%	0.839	64%	0.642	S	S	*	*			trans	-69.9	72.6	-174.1	-65	0	0	0	0	112.9	T449	S447-T449 PolarHBondContact O-N 3.04Å
448	R	47.6	Very low	53.7	Low	208 Å²	208	111 Å²	111	79%	0.785	63%	0.633	S	S	*	*			trans	-64.5	113.5	-176	-160.8	169.4	-178.9	177.3	-2.4	110.4	S446 R450	S446-R448 PolarHBondContact O-N 3.13Å; R448-R450 PolarHBondContact O-N 2.97Å
449	T	50.2	Low	56.3	Low	108 Å²	108	107 Å²	107	66%	0.663	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-59.7	122.1	174.2	34.1	0	0	0	0	109.6	S447 F451	S447-T449 PolarHBondContact O-N 3.04Å; T449-F451 VanDerWaalsContact O-CD2 3.3Å; T449-F451 WeakPolarHBondContact O-CD2 3.27Å; T449-F451 PolarHBondContact O-N 2.91Å
450	R	59.7	Low	58.7	Low	202 Å²	202	108.6 Å²	108.6	76%	0.762	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-81.1	121.1	-177.3	-70.9	-170.3	-77.6	159.4	-6	110.3	R448 I571	R448-R450 PolarHBondContact O-N 2.97Å; R450-I571 HydrophobicContact CB-CD1 3.99Å; R450-I571 WeakPolarHBondContact O-CB 3.44Å; R450-I571 PolarHBondContact O-N 2.9Å
451	F	73.1	Confident	61.2	Low	80 Å²	80	103.1 Å²	103.1	35%	0.351	57%	0.573	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.3	147	167.8	-62.7	-97.5	0	0	0	108.7	T449 Y453 R568 E569 K570	T449-F451 VanDerWaalsContact O-CD2 3.3Å; T449-F451 WeakPolarHBondContact O-CD2 3.27Å; T449-F451 PolarHBondContact O-N 2.91Å; F451-Y453 HydrophobicContact CB-CE2 4.49Å; F451-R568 HydrophobicContact CB-CG 3.97Å; F451-R568 HydrophobicContact CD1-CG 3.56Å; F451-R568 HydrophobicContact CE1-CG 4.32Å; F451-R568 HydrophobicContact CG-CG 4.02Å; F451-E569 CarbonylContact C-O 3.56Å; F451-E569 WeakPolarHBondContact CA-O 3.32Å; F451-K570 HydrophobicContact CD1-CG 3.73Å; F451-K570 HydrophobicContact CE1-CD 4.23Å; F451-K570 HydrophobicContact CE1-CG 3.43Å; F451-K570 VanDerWaalsContact CE1-CG 3.43Å; F451-K570 HydrophobicContact CZ-CG 4.31Å
452	A	77	Confident	63.9	Low	40 Å²	40	101.2 Å²	101.2	33%	0.331	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	155.5	161.4	0	0	0	0	0	108.3	E569 I571	A452-E569 PolarHBondContact N-O 3.17Å; A452-E569 PolarHBondContact O-N 3.42Å; A452-I571 HydrophobicContact CB-CD1 3.99Å; A452-I571 HydrophobicContact CB-CG1 3.75Å
453	Y	79.9	Confident	66.8	Low	74 Å²	74	97 Å²	97	29%	0.29	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	129.8	168.8	-69.7	-96.5	0	0	0	108.6	F451 T471 V566 K567 R568	F451-Y453 HydrophobicContact CB-CE2 4.49Å; Y453-T471 HydrophobicContact CD1-CG2 4.11Å; Y453-T471 HydrophobicContact CD2-CG2 3.47Å; Y453-T471 VanDerWaalsContact CD2-CG2 3.47Å; Y453-T471 HydrophobicContact CE2-CG2 4.06Å; Y453-T471 HydrophobicContact CG-CG2 3.48Å; Y453-T471 VanDerWaalsContact CG-CG2 3.48Å; Y453-T471 PolarHBondContact OH-O 2.66Å; Y453-V566 HydrophobicContact CD1-CG1 4.12Å; Y453-K567 WeakPolarHBondContact CA-O 3.32Å; Y453-R568 HydrophobicContact CD1-CB 3.9Å; Y453-R568 HydrophobicContact CD1-CG 4.32Å; Y453-R568 HydrophobicContact CE1-CB 3.62Å; Y453-R568 HydrophobicContact CE1-CG 3.8Å; Y453-R568 WeakPolarHBondContact OH-CD 3.06Å
454	R	83.4	Confident	69.8	Low	153 Å²	153	95.1 Å²	95.1	58%	0.577	49%	0.488	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.1	109.7	175.6	-179	178.8	177.4	158.7	3.1	108.7	V566 K567	R454-V566 WeakPolarHBondContact O-CA 3.33Å; R454-K567 PolarHBondContact N-O 3.14Å; R454-K567 PolarHBondContact O-N 2.66Å
455	V	84	Confident	72.3	Confident	45 Å²	45	85.7 Å²	85.7	27%	0.273	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	127.7	169.8	-174.1	0	0	0	0	108.1	Q469 T565 V566	V455-Q469 HydrophobicContact CG1-CG 4.28Å; V455-T565 CarbonylContact C-O 3.57Å; V455-T565 WeakPolarHBondContact CA-O 3.35Å; V455-V566 HydrophobicContact CG1-CG2 4.46Å; V455-V566 HydrophobicContact CG2-CG1 4.36Å; V455-V566 HydrophobicContact CG2-CG2 4.27Å
456	S	84.7	Confident	74.9	Confident	47 Å²	47	83 Å²	83	33%	0.329	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	113.9	173.7	-54.3	0	0	0	0	108.7	T565	S456-T565 PolarHBondContact N-O 2.82Å; S456-T565 PolarHBondContact O-N 2.82Å; S456-T565 PolarHBondContact O-OG1 2.74Å
457	S	87.3	Confident	77	Confident	50 Å²	50	87.6 Å²	87.6	35%	0.35	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	148.6	-176.1	-176.4	0	0	0	0	111.7	K563	S457-K563 CarbonylContact C-O 3.6Å; S457-K563 VanDerWaalsContact CA-O 3.26Å; S457-K563 WeakPolarHBondContact CA-O 3.35Å; S457-K563 PolarHBondContact OG-O 3.48Å; S457-K563 VanDerWaalsContact OG-O 3.05Å
458	T	86.4	Confident	78.9	Confident	89 Å²	89	88.5 Å²	88.5	55%	0.546	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	131	177.6	47.7	0	0	0	0	109	K563	T458-K563 PolarHBondContact N-O 3.18Å; T458-K563 PolarHBondContact O-N 2.84Å
459	A	86.5	Confident	80.5	Confident	38 Å²	38	79.1 Å²	79.1	31%	0.314	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	149.1	175.1	0	0	0	0	0	111.1	E464 A562	A459-E464 HydrophobicContact CB-CB 4.25Å; A459-E464 HydrophobicContact CB-CG 3.7Å; A459-A562 HydrophobicContact CB-CB 4.06Å
460	R	82.6	Confident	82	Confident	182 Å²	182	75.6 Å²	75.6	69%	0.687	37%	0.365	S	S	*	.	S	Bend	trans	-104.9	-35.5	166.9	-64.7	-175.1	179.7	169.9	-4.1	111.2	E559 E560 Q561	R460-E559 IonicContact NH1-OE2 2.65Å; R460-E560 WeakPolarHBondContact CD-O 3.11Å; R460-Q561 PolarHBondContact N-O 2.89Å
461	G	79.7	Confident	82.5	Confident	18 Å²	18	68.3 Å²	68.3	19%	0.186	34%	0.344	C	S	.	.	S	Bend	trans	-94.6	-179.9	-179.4	0	0	0	0	0	114.4	V463 Q561	G461-V463 VanDerWaalsContact C-N 3.25Å; G461-V463 PolarHBondContact O-N 2.88Å; G461-Q561 PolarHBondContact N-O 2.71Å
462	P	85.1	Confident	82.6	Confident	44 Å²	44	69.6 Å²	69.6	29%	0.286	35%	0.35	S	S	.	.	S	Bend	trans	-73.9	-8.3	-178.3	28.6	-34.5	0	0	0	114.9	N480 S481 M486	P462-N480 PolarHBondContact O-OD1 3.43Å; P462-S481 PolarHBondContact O-N 3.48Å; P462-M486 HydrophobicContact CB-CE 4.46Å; P462-M486 HydrophobicContact CG-CE 3.64Å; P462-M486 HydrophobicContact CG-CG 4.08Å; P462-M486 HydrophobicContact CG-SD 3.95Å
463	V	88.3	Confident	82.5	Confident	1 Å²	1	68.4 Å²	68.4	1%	0.006	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	123.7	175.9	175.3	0	0	0	0	109.8	G461 I478 H479 N480 M486 L488 L553	G461-V463 VanDerWaalsContact C-N 3.25Å; G461-V463 PolarHBondContact O-N 2.88Å; V463-I478 HydrophobicContact CG1-CB 3.96Å; V463-I478 HydrophobicContact CG1-CD1 4.19Å; V463-I478 HydrophobicContact CG1-CG1 4.46Å; V463-H479 WeakPolarHBondContact CA-O 3.02Å; V463-N480 HydrophobicContact CG2-CB 4.38Å; V463-M486 HydrophobicContact CG2-CB 4.32Å; V463-M486 HydrophobicContact CG2-CG 4Å; V463-L488 HydrophobicContact CG1-CD1 4.44Å; V463-L488 HydrophobicContact CG2-CD1 4.41Å; V463-L488 HydrophobicContact CG2-CD2 3.83Å; V463-L553 HydrophobicContact CB-CD2 4.28Å; V463-L553 HydrophobicContact CG1-CD2 3.72Å
464	E	89.8	Confident	82.7	Confident	78 Å²	78	68.8 Å²	68.8	36%	0.364	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	149.8	-177.2	-50.6	-172.5	108.7	0	0	110.6	A459 H479 S481	A459-E464 HydrophobicContact CB-CB 4.25Å; A459-E464 HydrophobicContact CB-CG 3.7Å; E464-H479 PolarHBondContact N-O 2.88Å; E464-H479 PolarHBondContact O-N 3.46Å; E464-H479 PolarHBondContact O-ND1 3.4Å; E464-H479 IonicContact OE2-CE1 3.91Å; E464-S481 WeakPolarHBondContact CG-OG 3.22Å; E464-S481 WeakPolarHBondContact OE2-CB 3.33Å; E464-S481 PolarHBondContact OE2-OG 3.33Å
465	F	90.9	Very high	83	Confident	5 Å²	5	63.6 Å²	63.6	2%	0.022	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	137.5	167.9	-68.2	-79.9	0	0	0	110.5	I476 I478 L493 I551 L553 A562 C564	F465-I476 HydrophobicContact CD1-CG2 3.88Å; F465-I476 HydrophobicContact CE1-CG2 3.77Å; F465-I478 HydrophobicContact CD1-CG2 3.63Å; F465-I478 HydrophobicContact CE1-CG2 3.62Å; F465-I478 HydrophobicContact CG-CG2 4.42Å; F465-I478 HydrophobicContact CZ-CG2 4.41Å; F465-L493 HydrophobicContact CE1-CD1 4.3Å; F465-I551 HydrophobicContact CE1-CB 4.37Å; F465-I551 HydrophobicContact CE1-CG2 3.56Å; F465-I551 HydrophobicContact CZ-CB 4.24Å; F465-I551 HydrophobicContact CZ-CG2 3.57Å; F465-L553 HydrophobicContact CE2-CB 4.18Å; F465-L553 HydrophobicContact CZ-CB 3.96Å; F465-A562 HydrophobicContact CD2-CB 4Å; F465-A562 HydrophobicContact CE2-CB 3.84Å; F465-C564 HydrophobicContact CB-CB 3.83Å; F465-C564 HydrophobicContact CD1-CB 4.19Å; F465-C564 HydrophobicContact CD2-CB 3.49Å; F465-C564 VanDerWaalsContact CD2-CB 3.49Å; F465-C564 HydrophobicContact CE2-CB 4.07Å; F465-C564 HydrophobicContact CG-CB 3.56Å
466	F	84.1	Confident	83.3	Confident	66 Å²	66	61.7 Å²	61.7	29%	0.289	31%	0.314	S	S	.	.			trans	-62.6	145.6	177.5	-159.1	-106.9	0	0	0	110.9	E468 Q469 K477 H479 I517	F466-E468 HydrophobicContact CD1-CB 4.12Å; F466-E468 HydrophobicContact CE1-CB 4.28Å; F466-E468 PolarHBondContact O-N 2.83Å; F466-Q469 VanDerWaalsContact N-NE2 3.19Å; F466-Q469 PolarHBondContact O-NE2 3.34Å; F466-K477 HydrophobicContact CB-CB 3.72Å; F466-K477 HydrophobicContact CG-CB 4.49Å; F466-K477 PolarHBondContact N-O 2.87Å; F466-H479 AromaticContact CD2-CD2 3.96Å; F466-I517 HydrophobicContact CD2-CD1 4.4Å; F466-I517 HydrophobicContact CE2-CD1 4.01Å
467	K	79.1	Confident	83.6	Confident	192 Å²	192	61.8 Å²	61.8	84%	0.835	31%	0.308	S	S	*	.	S	Bend	trans	-65.1	-22.4	-173.4	-64.6	-179.4	-177.8	174.7	0	113.7
468	E	78.2	Confident	83.9	Confident	139 Å²	139	59.4 Å²	59.4	65%	0.65	29%	0.292	S	S	*	.			trans	-111	119.8	174.6	-173.7	171.2	-145.4	0	0	109.5	F466	F466-E468 HydrophobicContact CD1-CB 4.12Å; F466-E468 HydrophobicContact CE1-CB 4.28Å; F466-E468 PolarHBondContact O-N 2.83Å
469	Q	80.7	Confident	84.1	Confident	10 Å²	10	57 Å²	57	5%	0.047	27%	0.274	C	S	.	.			trans	-122.6	151.5	178.2	-62.3	-63.7	-27.2	0	0	109.2	V455 F466 T471 K477	V455-Q469 HydrophobicContact CG1-CG 4.28Å; F466-Q469 VanDerWaalsContact N-NE2 3.19Å; F466-Q469 PolarHBondContact O-NE2 3.34Å; Q469-T471 PolarHBondContact O-N 2.8Å; Q469-K477 PolarHBondContact NE2-O 3.29Å
470	D	81	Confident	84.3	Confident	34 Å²	34	55.2 Å²	55.2	18%	0.182	26%	0.259	C	S	.	.			trans	-70.1	119.4	-179.3	-179.5	28.5	0	0	0	112.4	H472 G473 K474 W475	D470-H472 VanDerWaalsContact CG-N 3.33Å; D470-H472 PolarHBondContact O-N 3.38Å; D470-H472 IonicContact OD1-CD2 3.85Å; D470-H472 PolarHBondContact OD1-N 2.86Å; D470-H472 WeakPolarHBondContact OD2-CB 3.24Å; D470-G473 PolarHBondContact O-N 2.86Å; D470-G473 VanDerWaalsContact O-N 3.1Å; D470-G473 PolarHBondContact OD2-N 2.87Å; D470-K474 VanDerWaalsContact OD2-CB 3.22Å; D470-K474 WeakPolarHBondContact OD2-CB 3.27Å; D470-K474 WeakPolarHBondContact OD2-CG 3.45Å; D470-K474 PolarHBondContact OD2-N 3.47Å; D470-W475 HydrophobicContact CB-CD2 3.88Å; D470-W475 HydrophobicContact CB-CE3 4.35Å; D470-W475 HydrophobicContact CB-CG 4.2Å; D470-W475 HydrophobicContact CB-CH2 4.49Å; D470-W475 HydrophobicContact CB-CZ2 4.05Å
471	T	71.6	Confident	84.5	Confident	49 Å²	49	49.3 Å²	49.3	30%	0.301	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-12.6	175.8	68.2	0	0	0	0	114.1	Y453 Q469	Y453-T471 HydrophobicContact CD1-CG2 4.11Å; Y453-T471 HydrophobicContact CD2-CG2 3.47Å; Y453-T471 VanDerWaalsContact CD2-CG2 3.47Å; Y453-T471 HydrophobicContact CE2-CG2 4.06Å; Y453-T471 HydrophobicContact CG-CG2 3.48Å; Y453-T471 VanDerWaalsContact CG-CG2 3.48Å; Y453-T471 PolarHBondContact OH-O 2.66Å; Q469-T471 PolarHBondContact O-N 2.8Å
472	H	74.1	Confident	84.7	Confident	107 Å²	107	49.7 Å²	49.7	50%	0.495	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-4.7	172.3	-69.2	-69.4	0	0	0	114.1	D470 K474	D470-H472 VanDerWaalsContact CG-N 3.33Å; D470-H472 PolarHBondContact O-N 3.38Å; D470-H472 IonicContact OD1-CD2 3.85Å; D470-H472 PolarHBondContact OD1-N 2.86Å; D470-H472 WeakPolarHBondContact OD2-CB 3.24Å; H472-K474 HydrophobicContact CB-CG 4.39Å
473	G	75.4	Confident	84.9	Confident	15 Å²	15	54.7 Å²	54.7	16%	0.155	27%	0.27	C	S	.	.	S	Bend	trans	73.3	18.8	178.4	0	0	0	0	0	115.3	D470 F543	D470-G473 PolarHBondContact O-N 2.86Å; D470-G473 VanDerWaalsContact O-N 3.1Å; D470-G473 PolarHBondContact OD2-N 2.87Å; G473-F543 VanDerWaalsContact O-CB 3.29Å; G473-F543 WeakPolarHBondContact O-CB 3.19Å
474	K	84	Confident	85	Confident	82 Å²	82	60.2 Å²	60.2	36%	0.357	30%	0.3	S	S	.	.	S	Bend	trans	-75.2	-26.5	177.9	-61.2	-172.9	174.5	-161.3	0	113.4	D470 H472 S522 A525	D470-K474 VanDerWaalsContact OD2-CB 3.22Å; D470-K474 WeakPolarHBondContact OD2-CB 3.27Å; D470-K474 WeakPolarHBondContact OD2-CG 3.45Å; D470-K474 PolarHBondContact OD2-N 3.47Å; H472-K474 HydrophobicContact CB-CG 4.39Å; K474-S522 PolarHBondContact O-N 3.39Å; K474-S522 PolarHBondContact O-OG 2.83Å; K474-A525 HydrophobicContact CB-CB 3.96Å; K474-A525 HydrophobicContact CG-CB 4.48Å
475	W	88.7	Confident	85	Confident	44 Å²	44	60.9 Å²	60.9	17%	0.167	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	158.3	179.5	55.1	-100	0	0	0	113.2	D470 K477 T519 I520 W521	D470-W475 HydrophobicContact CB-CD2 3.88Å; D470-W475 HydrophobicContact CB-CE3 4.35Å; D470-W475 HydrophobicContact CB-CG 4.2Å; D470-W475 HydrophobicContact CB-CH2 4.49Å; D470-W475 HydrophobicContact CB-CZ2 4.05Å; W475-K477 HydrophobicContact CE3-CB 4.26Å; W475-K477 HydrophobicContact CE3-CD 3.76Å; W475-K477 HydrophobicContact CE3-CG 3.61Å; W475-K477 HydrophobicContact CH2-CD 3.91Å; W475-K477 VanDerWaalsContact CH2-NZ 3.29Å; W475-K477 HydrophobicContact CZ3-CB 4.04Å; W475-K477 HydrophobicContact CZ3-CD 3.39Å; W475-K477 HydrophobicContact CZ3-CG 3.63Å; W475-T519 HydrophobicContact CB-CG2 3.65Å; W475-T519 HydrophobicContact CD2-CG2 4.31Å; W475-T519 HydrophobicContact CE3-CG2 4.44Å; W475-T519 HydrophobicContact CG-CG2 4.02Å; W475-I520 CarbonylContact C-O 3.59Å; W475-I520 WeakPolarHBondContact CA-O 3.28Å; W475-I520 WeakPolarHBondContact CB-O 3.34Å; W475-W521 HydrophobicContact CB-CD2 4.08Å; W475-W521 HydrophobicContact CB-CE3 3.91Å; W475-W521 HydrophobicContact CB-CZ3 4.29Å; W475-W521 AromaticContact CD1-CE3 3.96Å; W475-W521 AromaticContact CD1-CH2 3.78Å; W475-W521 AromaticContact CD1-CZ3 3.46Å; W475-W521 VanDerWaalsContact CD1-CZ3 3.46Å; W475-W521 HydrophobicContact CG-CE3 4.31Å; W475-W521 HydrophobicContact CG-CH2 4.44Å; W475-W521 HydrophobicContact CG-CZ3 4.18Å
476	I	91.2	Very high	84.9	Confident	5 Å²	5	63 Å²	63	3%	0.026	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	132.9	172.5	-56.9	171.3	0	0	0	108.1	F465 L493 H495 I520 F543 I551	F465-I476 HydrophobicContact CD1-CG2 3.88Å; F465-I476 HydrophobicContact CE1-CG2 3.77Å; I476-L493 HydrophobicContact CD1-CD1 4.5Å; I476-L493 HydrophobicContact CD1-CD2 3.86Å; I476-L493 HydrophobicContact CG2-CD1 4.17Å; I476-H495 HydrophobicContact CD1-CB 4.26Å; I476-I520 PolarHBondContact N-O 3.02Å; I476-I520 PolarHBondContact O-N 2.74Å; I476-F543 HydrophobicContact CB-CE2 4.44Å; I476-F543 HydrophobicContact CD1-CD1 3.9Å; I476-F543 HydrophobicContact CD1-CD2 4.1Å; I476-F543 HydrophobicContact CD1-CE1 3.49Å; I476-F543 VanDerWaalsContact CD1-CE1 3.49Å; I476-F543 HydrophobicContact CD1-CE2 3.73Å; I476-F543 HydrophobicContact CD1-CG 4.19Å; I476-F543 HydrophobicContact CD1-CZ 3.4Å; I476-F543 VanDerWaalsContact CD1-CZ 3.4Å; I476-F543 HydrophobicContact CG1-CD2 4.13Å; I476-F543 HydrophobicContact CG1-CE1 4.45Å; I476-F543 HydrophobicContact CG1-CE2 3.78Å; I476-F543 HydrophobicContact CG1-CZ 3.96Å; I476-I551 HydrophobicContact CD1-CD1 3.99Å; I476-I551 HydrophobicContact CD1-CG1 4.38Å; I476-I551 HydrophobicContact CD1-CG2 4.01Å; I476-I551 HydrophobicContact CG1-CD1 4.13Å; I476-I551 HydrophobicContact CG2-CD1 4.16Å; I476-I551 HydrophobicContact CG2-CG2 4.29Å
477	K	91.4	Very high	85.1	Confident	49 Å²	49	65 Å²	65	21%	0.213	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	128.6	177.5	-78.8	172.5	-168.3	154	0	112.4	F466 Q469 W475 I517 C518 T519	F466-K477 HydrophobicContact CB-CB 3.72Å; F466-K477 HydrophobicContact CG-CB 4.49Å; F466-K477 PolarHBondContact N-O 2.87Å; Q469-K477 PolarHBondContact NE2-O 3.29Å; W475-K477 HydrophobicContact CE3-CB 4.26Å; W475-K477 HydrophobicContact CE3-CD 3.76Å; W475-K477 HydrophobicContact CE3-CG 3.61Å; W475-K477 HydrophobicContact CH2-CD 3.91Å; W475-K477 VanDerWaalsContact CH2-NZ 3.29Å; W475-K477 HydrophobicContact CZ3-CB 4.04Å; W475-K477 HydrophobicContact CZ3-CD 3.39Å; W475-K477 HydrophobicContact CZ3-CG 3.63Å; K477-I517 HydrophobicContact CB-CG2 4.34Å; K477-I517 HydrophobicContact CD-CG2 4.33Å; K477-I517 HydrophobicContact CG-CG2 4.24Å; K477-C518 WeakPolarHBondContact CA-O 3.4Å; K477-T519 WeakPolarHBondContact CE-OG1 3.21Å; K477-T519 HydrophobicContact CG-CG2 3.91Å
478	I	92.2	Very high	85.6	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	151.5	166.5	60.8	174.4	0	0	0	109.3	V463 F465 L488 F506 I517 C518 I520	V463-I478 HydrophobicContact CG1-CB 3.96Å; V463-I478 HydrophobicContact CG1-CD1 4.19Å; V463-I478 HydrophobicContact CG1-CG1 4.46Å; F465-I478 HydrophobicContact CD1-CG2 3.63Å; F465-I478 HydrophobicContact CE1-CG2 3.62Å; F465-I478 HydrophobicContact CG-CG2 4.42Å; F465-I478 HydrophobicContact CZ-CG2 4.41Å; I478-L488 HydrophobicContact CD1-CD1 3.73Å; I478-F506 HydrophobicContact CD1-CE1 4.06Å; I478-F506 HydrophobicContact CD1-CZ 3.64Å; I478-I517 WeakPolarHBondContact O-CA 3.18Å; I478-C518 HydrophobicContact CD1-CB 4.37Å; I478-C518 HydrophobicContact CG1-CB 3.9Å; I478-C518 PolarHBondContact N-O 3.43Å; I478-C518 PolarHBondContact O-N 3.19Å; I478-I520 HydrophobicContact CD1-CD1 4.23Å; I478-I520 HydrophobicContact CG1-CD1 4.04Å
479	H	91.6	Very high	86.1	Confident	38 Å²	38	50 Å²	50	18%	0.176	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	150	172.8	72.9	-28.8	0	0	0	111.5	V463 E464 F466 S481 A516 I517	V463-H479 WeakPolarHBondContact CA-O 3.02Å; E464-H479 PolarHBondContact N-O 2.88Å; E464-H479 PolarHBondContact O-N 3.46Å; E464-H479 PolarHBondContact O-ND1 3.4Å; E464-H479 IonicContact OE2-CE1 3.91Å; F466-H479 AromaticContact CD2-CD2 3.96Å; H479-S481 PolarHBondContact CE1-OG 2.9Å; H479-S481 VanDerWaalsContact CE1-OG 3.26Å; H479-S481 PolarHBondContact O-N 2.9Å; H479-A516 WeakPolarHBondContact CA-O 3.41Å; H479-I517 HydrophobicContact CB-CB 4.48Å; H479-I517 HydrophobicContact CB-CG1 3.93Å
480	N	90.9	Very high	86.5	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	106.6	173.4	-178.3	0.4	0	0	0	109.1	P462 V463 S482 D484 L512 K513 G515 A516	P462-N480 PolarHBondContact O-OD1 3.43Å; V463-N480 HydrophobicContact CG2-CB 4.38Å; N480-S482 VanDerWaalsContact C-N 3.26Å; N480-S482 PolarHBondContact O-N 3.44Å; N480-S482 WeakPolarHBondContact OD1-CB 3.31Å; N480-S482 PolarHBondContact OD1-N 3.16Å; N480-S482 PolarHBondContact OD1-OG 2.94Å; N480-D484 PolarHBondContact ND2-O 2.82Å; N480-L512 HydrophobicContact CB-CD2 4.01Å; N480-L512 HydrophobicContact CB-CG 4.05Å; N480-L512 PolarHBondContact ND2-O 3.25Å; N480-K513 PolarHBondContact ND2-O 2.81Å; N480-G515 VanDerWaalsContact O-CA 3.27Å; N480-G515 WeakPolarHBondContact O-CA 3.47Å; N480-G515 PolarHBondContact O-N 3.31Å; N480-A516 PolarHBondContact N-O 3.04Å; N480-A516 VanDerWaalsContact N-O 3.12Å
481	S	86.7	Confident	87.1	Confident	58 Å²	58	50.5 Å²	50.5	41%	0.406	27%	0.27	S	S	.	.			trans	-82.3	-2.3	179.3	-60.3	0	0	0	0	112.9	P462 E464 H479	P462-S481 PolarHBondContact O-N 3.48Å; E464-S481 WeakPolarHBondContact CG-OG 3.22Å; E464-S481 WeakPolarHBondContact OE2-CB 3.33Å; E464-S481 PolarHBondContact OE2-OG 3.33Å; H479-S481 PolarHBondContact CE1-OG 2.9Å; H479-S481 VanDerWaalsContact CE1-OG 3.26Å; H479-S481 PolarHBondContact O-N 2.9Å
482	S	84.5	Confident	88.1	Confident	27 Å²	27	50 Å²	50	19%	0.189	26%	0.264	C	S	.	.	S	Bend	trans	-95.4	165.6	177	78.5	0	0	0	0	113.2	N480 D484	N480-S482 VanDerWaalsContact C-N 3.26Å; N480-S482 PolarHBondContact O-N 3.44Å; N480-S482 WeakPolarHBondContact OD1-CB 3.31Å; N480-S482 PolarHBondContact OD1-N 3.16Å; N480-S482 PolarHBondContact OD1-OG 2.94Å; S482-D484 VanDerWaalsContact C-N 3.32Å; S482-D484 PolarHBondContact OG-O 3.05Å
483	N	88.6	Confident	89.1	Confident	148 Å²	148	44.9 Å²	44.9	79%	0.791	24%	0.24	S	C	*	.	S	Bend	trans	-84.4	-1.4	178.4	-71.6	-22.5	0	0	0	113.9	P514	N483-P514 VanDerWaalsContact C-CG 3.46Å; N483-P514 WeakPolarHBondContact O-CG 3.37Å
484	D	90	Very high	89.9	Confident	117 Å²	117	44.5 Å²	44.5	63%	0.626	24%	0.235	S	C	*	.	S	Bend	trans	-114	150.8	-175.3	-62.7	-59	0	0	0	111.8	N480 S482 M486	N480-D484 PolarHBondContact ND2-O 2.82Å; S482-D484 VanDerWaalsContact C-N 3.32Å; S482-D484 PolarHBondContact OG-O 3.05Å; D484-M486 PolarHBondContact O-N 2.82Å
485	E	90	Very high	90.3	Very high	92 Å²	92	40.8 Å²	40.8	43%	0.43	22%	0.219	S	C	.	.			trans	-73	123.4	179.3	-178.7	162.2	-169	0	0	111	S511 K513	E485-S511 WeakPolarHBondContact OE1-CB 3.34Å; E485-S511 PolarHBondContact OE1-OG 3.35Å; E485-K513 HydrophobicContact CG-CG 4.4Å
486	M	88.5	Confident	90.4	Very high	49 Å²	49	43.1 Å²	43.1	24%	0.241	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	122.9	-170.6	-166.4	52.5	43.7	0	0	112.4	P462 V463 D484 L488 S511 L512	P462-M486 HydrophobicContact CB-CE 4.46Å; P462-M486 HydrophobicContact CG-CE 3.64Å; P462-M486 HydrophobicContact CG-CG 4.08Å; P462-M486 HydrophobicContact CG-SD 3.95Å; V463-M486 HydrophobicContact CG2-CB 4.32Å; V463-M486 HydrophobicContact CG2-CG 4Å; D484-M486 PolarHBondContact O-N 2.82Å; M486-L488 HydrophobicContact CB-CD2 4.45Å; M486-L488 HydrophobicContact CG-CD2 3.74Å; M486-L488 PolarHBondContact O-N 2.89Å; M486-S511 CarbonylContact O-C 3.54Å; M486-S511 WeakPolarHBondContact O-CA 3.31Å; M486-L512 PolarHBondContact N-O 3.44Å; M486-L512 PolarHBondContact O-N 2.9Å
487	N	89.4	Confident	90.2	Very high	110 Å²	110	43 Å²	43	59%	0.588	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91	99.7	-176.8	-67.2	-44.1	0	0	0	110.8	G489 S511	N487-G489 PolarHBondContact O-N 3.47Å; N487-G489 VanDerWaalsContact O-N 3.08Å; N487-S511 VanDerWaalsContact OD1-CB 3.24Å; N487-S511 WeakPolarHBondContact OD1-CB 3.44Å
488	L	87.7	Confident	89.7	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.245	C	C	.	.			trans	-85.5	34.4	176.8	-40.1	-178.2	0	0	0	111.2	V463 I478 M486 S490 W491 F506 F510 L512	V463-L488 HydrophobicContact CG1-CD1 4.44Å; V463-L488 HydrophobicContact CG2-CD1 4.41Å; V463-L488 HydrophobicContact CG2-CD2 3.83Å; I478-L488 HydrophobicContact CD1-CD1 3.73Å; M486-L488 HydrophobicContact CB-CD2 4.45Å; M486-L488 HydrophobicContact CG-CD2 3.74Å; M486-L488 PolarHBondContact O-N 2.89Å; L488-S490 PolarHBondContact O-N 3.38Å; L488-S490 VanDerWaalsContact O-N 3.13Å; L488-W491 HydrophobicContact CB-CB 4.19Å; L488-W491 HydrophobicContact CB-CD2 3.97Å; L488-W491 HydrophobicContact CB-CE3 4.21Å; L488-W491 HydrophobicContact CB-CG 3.96Å; L488-W491 HydrophobicContact CD2-CD2 3.93Å; L488-W491 HydrophobicContact CD2-CE3 3.67Å; L488-W491 HydrophobicContact CD2-CH2 3.91Å; L488-W491 HydrophobicContact CD2-CZ2 4.16Å; L488-W491 HydrophobicContact CD2-CZ3 3.67Å; L488-W491 HydrophobicContact CG-CE3 4.38Å; L488-W491 WeakPolarHBondContact O-CB 3.24Å; L488-W491 PolarHBondContact O-N 2.78Å; L488-F506 HydrophobicContact CB-CG 4.44Å; L488-F506 WeakPolarHBondContact O-CB 3.33Å; L488-F510 HydrophobicContact CB-CD1 3.99Å; L488-F510 HydrophobicContact CD1-CD1 4.29Å; L488-F510 HydrophobicContact CD1-CE1 4.02Å; L488-F510 HydrophobicContact CG-CD1 4.24Å; L488-F510 HydrophobicContact CG-CE1 4.41Å; L488-F510 PolarHBondContact N-O 2.79Å; L488-L512 HydrophobicContact CD1-CD2 4.37Å
489	G	88.8	Confident	89.1	Confident	15 Å²	15	48.4 Å²	48.4	16%	0.155	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	110.5	-169.8	0	0	0	0	0	111.8	N487 W491 T556	N487-G489 PolarHBondContact O-N 3.47Å; N487-G489 VanDerWaalsContact O-N 3.08Å; G489-W491 VanDerWaalsContact C-N 3.31Å; G489-T556 VanDerWaalsContact O-CG2 3.28Å; G489-T556 WeakPolarHBondContact O-CG2 3.48Å
490	S	89.4	Confident	88.8	Confident	43 Å²	43	52 Å²	52	30%	0.301	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	6.5	-175.7	-26.5	0	0	0	0	116.6	L488 F506	L488-S490 PolarHBondContact O-N 3.38Å; L488-S490 VanDerWaalsContact O-N 3.13Å; S490-F506 WeakPolarHBondContact CA-O 3.28Å
491	W	93.9	Very high	88.8	Confident	11 Å²	11	56.9 Å²	56.9	4%	0.042	32%	0.318	C	S	.	.			trans	-57.5	156.5	173.3	-76.7	25.5	0	0	0	111.8	L488 G489 K505 F506 L553 L554 D555 Q561	L488-W491 HydrophobicContact CB-CB 4.19Å; L488-W491 HydrophobicContact CB-CD2 3.97Å; L488-W491 HydrophobicContact CB-CE3 4.21Å; L488-W491 HydrophobicContact CB-CG 3.96Å; L488-W491 HydrophobicContact CD2-CD2 3.93Å; L488-W491 HydrophobicContact CD2-CE3 3.67Å; L488-W491 HydrophobicContact CD2-CH2 3.91Å; L488-W491 HydrophobicContact CD2-CZ2 4.16Å; L488-W491 HydrophobicContact CD2-CZ3 3.67Å; L488-W491 HydrophobicContact CG-CE3 4.38Å; L488-W491 WeakPolarHBondContact O-CB 3.24Å; L488-W491 PolarHBondContact O-N 2.78Å; G489-W491 VanDerWaalsContact C-N 3.31Å; W491-K505 WeakPolarHBondContact O-CA 3.27Å; W491-F506 HydrophobicContact CB-CD2 3.98Å; W491-F506 PolarHBondContact O-N 2.71Å; W491-L553 HydrophobicContact CE3-CD1 4.01Å; W491-L553 HydrophobicContact CE3-CD2 3.94Å; W491-L553 HydrophobicContact CE3-CG 3.75Å; W491-L553 HydrophobicContact CZ3-CD2 3.8Å; W491-L553 HydrophobicContact CZ3-CG 3.96Å; W491-L554 WeakPolarHBondContact CA-O 3.31Å; W491-L554 WeakPolarHBondContact CB-O 3.41Å; W491-D555 HydrophobicContact CZ2-CB 4.4Å; W491-D555 VanDerWaalsContact CZ2-OD2 3.3Å; W491-D555 WeakPolarHBondContact CZ2-OD2 3.31Å; W491-D555 PolarHBondContact NE1-OD1 2.74Å; W491-Q561 HydrophobicContact CH2-CB 4.01Å; W491-Q561 HydrophobicContact CH2-CG 3.69Å; W491-Q561 HydrophobicContact CZ2-CG 4.22Å; W491-Q561 HydrophobicContact CZ3-CB 3.92Å; W491-Q561 HydrophobicContact CZ3-CG 4.01Å
492	E	93.4	Very high	89	Confident	38 Å²	38	54.7 Å²	54.7	18%	0.178	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	125.8	175.7	-83.4	-172.5	-133.7	0	0	112	R503 F504 K505 L554	E492-R503 WeakPolarHBondContact OE2-CD 3.18Å; E492-R503 IonicContact OE2-NH1 3.26Å; E492-F504 CarbonylContact C-O 3.59Å; E492-F504 WeakPolarHBondContact CA-O 3.19Å; E492-K505 HydrophobicContact CG-CD 4.42Å; E492-K505 HydrophobicContact CG-CG 3.53Å; E492-K505 WeakPolarHBondContact OE1-CE 3.31Å; E492-K505 IonicContact OE1-NZ 2.76Å; E492-K505 PolarHBondContact OE1-NZ 3.04Å; E492-L554 HydrophobicContact CB-CB 4.27Å; E492-L554 PolarHBondContact N-O 2.87Å; E492-L554 PolarHBondContact O-N 2.85Å
493	L	93.7	Very high	89.4	Confident	0 Å²	0	59 Å²	59	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	124.4	161	-176.5	153.6	0	0	0	108.2	F465 I476 H495 R503 F504 F506 I520 F543 I551 L552 L553	F465-L493 HydrophobicContact CE1-CD1 4.3Å; I476-L493 HydrophobicContact CD1-CD1 4.5Å; I476-L493 HydrophobicContact CD1-CD2 3.86Å; I476-L493 HydrophobicContact CG2-CD1 4.17Å; L493-H495 HydrophobicContact CD2-CB 4.36Å; L493-R503 CarbonylContact O-C 3.59Å; L493-R503 WeakPolarHBondContact O-CA 3.48Å; L493-F504 HydrophobicContact CB-CB 4.46Å; L493-F504 PolarHBondContact N-O 3.39Å; L493-F504 PolarHBondContact O-N 3.03Å; L493-F506 HydrophobicContact CB-CE2 4.12Å; L493-I520 HydrophobicContact CD1-CD1 4.01Å; L493-I520 HydrophobicContact CD1-CG1 4.34Å; L493-F543 HydrophobicContact CD2-CE1 4.08Å; L493-F543 HydrophobicContact CD2-CZ 4.37Å; L493-I551 HydrophobicContact CD2-CG2 4.18Å; L493-I551 HydrophobicContact CG-CG2 4.26Å; L493-L552 CarbonylContact C-O 3.59Å; L493-L552 WeakPolarHBondContact CA-O 3.03Å; L493-L553 HydrophobicContact CB-CD1 4.36Å
494	V	93.3	Very high	89.6	Confident	8 Å²	8	53.5 Å²	53.5	5%	0.048	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	119.3	176.8	-178.2	0	0	0	0	108.6	E501 R503 I551 L552 L554	V494-E501 HydrophobicContact CG1-CG 3.8Å; V494-E501 WeakPolarHBondContact CG1-OE1 3.36Å; V494-R503 HydrophobicContact CG1-CG 4.26Å; V494-R503 HydrophobicContact CG2-CG 4.01Å; V494-I551 CarbonylContact O-C 3.56Å; V494-I551 WeakPolarHBondContact O-CA 3.24Å; V494-L552 HydrophobicContact CB-CB 4.26Å; V494-L552 PolarHBondContact N-O 3.11Å; V494-L552 PolarHBondContact O-N 3.27Å; V494-L554 HydrophobicContact CG2-CD1 3.8Å; V494-L554 HydrophobicContact CG2-CG 4.34Å
495	H	92	Very high	89.7	Confident	4 Å²	4	54 Å²	54	2%	0.019	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	125.8	172.4	164.7	-65	0	0	0	109.2	I476 L493 A497 E501 T502 F543 H544 V549	I476-H495 HydrophobicContact CD1-CB 4.26Å; L493-H495 HydrophobicContact CD2-CB 4.36Å; H495-A497 VanDerWaalsContact CE1-CB 3.49Å; H495-A497 WeakPolarHBondContact CE1-CB 3.27Å; H495-E501 CarbonylContact O-C 3.59Å; H495-E501 WeakPolarHBondContact O-CA 3.32Å; H495-T502 PolarHBondContact N-O 3.5Å; H495-T502 PolarHBondContact O-N 3.13Å; H495-F543 HydrophobicContact CB-CD1 3.65Å; H495-F543 HydrophobicContact CB-CE1 3.9Å; H495-F543 AromaticContact CD2-CD1 3.62Å; H495-F543 AromaticContact CD2-CG 3.93Å; H495-F543 AromaticContact CG-CD1 3.55Å; H495-H544 PolarHBondContact CE1-N 2.8Å; H495-H544 PolarHBondContact CE1-O 3.47Å; H495-H544 PolarHBondContact NE2-O 2.83Å; H495-V549 WeakPolarHBondContact NE2-CG1 3.37Å
496	E	91.2	Very high	89.8	Confident	93 Å²	93	49.9 Å²	49.9	44%	0.435	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	131.7	177	169.6	-171.2	-136.9	0	0	109.1	H500 V549 T550	E496-H500 WeakPolarHBondContact CA-O 3.27Å; E496-V549 CarbonylContact O-C 3.58Å; E496-V549 WeakPolarHBondContact O-CA 3.3Å; E496-T550 WeakPolarHBondContact CB-OG1 3.42Å; E496-T550 WeakPolarHBondContact CG-OG1 3.12Å; E496-T550 PolarHBondContact N-O 2.87Å; E496-T550 PolarHBondContact O-N 3.41Å; E496-T550 PolarHBondContact O-OG1 2.89Å; E496-T550 WeakPolarHBondContact OE2-CB 3.21Å; E496-T550 PolarHBondContact OE2-OG1 2.72Å
497	A	87.2	Confident	89.9	Confident	2 Å²	2	51 Å²	51	2%	0.017	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	128.6	178	0	0	0	0	0	111.7	H495 G499 H500 H544 V549	H495-A497 VanDerWaalsContact CE1-CB 3.49Å; H495-A497 WeakPolarHBondContact CE1-CB 3.27Å; A497-G499 PolarHBondContact O-N 3.46Å; A497-H500 PolarHBondContact N-O 2.81Å; A497-H500 PolarHBondContact O-N 3.33Å; A497-H544 HydrophobicContact CB-CB 4.18Å; A497-H544 WeakPolarHBondContact CB-O 3.22Å; A497-V549 HydrophobicContact CB-CB 4.4Å; A497-V549 HydrophobicContact CB-CG1 4.24Å; A497-V549 HydrophobicContact CB-CG2 3.87Å
498	D	81	Confident	89.8	Confident	93 Å²	93	56.7 Å²	56.7	50%	0.497	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	43.2	33.5	-179.9	-65.7	-4.9	0	0	0	113.9	G546 T547	D498-G546 VanDerWaalsContact CG-CA 3.47Å; D498-G546 VanDerWaalsContact OD2-CA 3.27Å; D498-G546 WeakPolarHBondContact OD2-CA 3.13Å; D498-T547 PolarHBondContact OD1-N 3.4Å; D498-T547 PolarHBondContact OD1-OG1 2.9Å; D498-T547 PolarHBondContact OD2-N 3.02Å
499	G	80.2	Confident	89.7	Confident	70 Å²	70	61.1 Å²	61.1	72%	0.722	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.4	-4.4	-180	0	0	0	0	0	116.7	A497	A497-G499 PolarHBondContact O-N 3.46Å
500	H	85.3	Confident	89.8	Confident	112 Å²	112	60.9 Å²	60.9	52%	0.519	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	114.7	177	-71.4	-80.1	0	0	0	112.2	E496 A497 H544	E496-H500 WeakPolarHBondContact CA-O 3.27Å; A497-H500 PolarHBondContact N-O 2.81Å; A497-H500 PolarHBondContact O-N 3.33Å; H500-H544 HydrophobicContact CB-CB 4.33Å
501	E	90.3	Very high	89.9	Confident	104 Å²	104	60.5 Å²	60.5	49%	0.486	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	136.9	176.1	-164.6	-171.4	-177.6	0	0	111.7	V494 H495 R503	V494-E501 HydrophobicContact CG1-CG 3.8Å; V494-E501 WeakPolarHBondContact CG1-OE1 3.36Å; H495-E501 CarbonylContact O-C 3.59Å; H495-E501 WeakPolarHBondContact O-CA 3.32Å; E501-R503 HydrophobicContact CG-CG 4.49Å; E501-R503 IonicContact OE1-CZ 2.7Å; E501-R503 IonicContact OE1-NE 2.7Å; E501-R503 PolarHBondContact OE1-NE 3.32Å; E501-R503 IonicContact OE1-NH2 3.1Å; E501-R503 PolarHBondContact OE1-NH2 2.82Å; E501-R503 IonicContact OE2-NE 3.33Å; E501-R503 IonicContact OE2-NH2 2.67Å; E501-R503 PolarHBondContact OE2-NH2 3.32Å
502	T	90.4	Very high	89.7	Confident	13 Å²	13	60.1 Å²	60.1	8%	0.08	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	111.5	179.7	-62.7	0	0	0	0	109.7	H495 M538 K541 S542 F543	H495-T502 PolarHBondContact N-O 3.5Å; H495-T502 PolarHBondContact O-N 3.13Å; T502-M538 HydrophobicContact CG2-CE 4.17Å; T502-M538 HydrophobicContact CG2-SD 4.24Å; T502-K541 HydrophobicContact CG2-CB 4.12Å; T502-K541 HydrophobicContact CG2-CD 4.31Å; T502-S542 PolarHBondContact OG1-O 2.81Å; T502-F543 HydrophobicContact CG2-CD1 4.39Å
503	R	93.2	Very high	89.6	Confident	117 Å²	117	64.7 Å²	64.7	44%	0.442	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	133.1	179.2	-51.2	-162.2	-174.7	-175.9	-2.5	112.8	E492 L493 V494 E501 K541	E492-R503 WeakPolarHBondContact OE2-CD 3.18Å; E492-R503 IonicContact OE2-NH1 3.26Å; L493-R503 CarbonylContact O-C 3.59Å; L493-R503 WeakPolarHBondContact O-CA 3.48Å; V494-R503 HydrophobicContact CG1-CG 4.26Å; V494-R503 HydrophobicContact CG2-CG 4.01Å; E501-R503 HydrophobicContact CG-CG 4.49Å; E501-R503 IonicContact OE1-CZ 2.7Å; E501-R503 IonicContact OE1-NE 2.7Å; E501-R503 PolarHBondContact OE1-NE 3.32Å; E501-R503 IonicContact OE1-NH2 3.1Å; E501-R503 PolarHBondContact OE1-NH2 2.82Å; E501-R503 IonicContact OE2-NE 3.33Å; E501-R503 IonicContact OE2-NH2 2.67Å; E501-R503 PolarHBondContact OE2-NH2 3.32Å; R503-K541 WeakPolarHBondContact O-CD 3.16Å; R503-K541 PolarHBondContact O-NZ 2.77Å
504	F	92.7	Very high	89.4	Confident	32 Å²	32	67.7 Å²	67.7	14%	0.14	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	127.2	173.7	174.6	-99.8	0	0	0	110.1	E492 L493 F506 I520 L536 M538	E492-F504 CarbonylContact C-O 3.59Å; E492-F504 WeakPolarHBondContact CA-O 3.19Å; L493-F504 HydrophobicContact CB-CB 4.46Å; L493-F504 PolarHBondContact N-O 3.39Å; L493-F504 PolarHBondContact O-N 3.03Å; F504-F506 HydrophobicContact CD1-CD2 4.36Å; F504-F506 HydrophobicContact CD1-CE2 4.24Å; F504-F506 HydrophobicContact CD1-CZ 4.35Å; F504-F506 AromaticContact CE1-CD1 3.96Å; F504-F506 HydrophobicContact CE1-CD1 3.96Å; F504-F506 HydrophobicContact CE1-CD2 4.32Å; F504-F506 HydrophobicContact CE1-CE1 4Å; F504-F506 HydrophobicContact CE1-CE2 4.36Å; F504-F506 HydrophobicContact CE1-CG 4.12Å; F504-F506 HydrophobicContact CE1-CZ 4.19Å; F504-I520 HydrophobicContact CD1-CG2 4.24Å; F504-I520 HydrophobicContact CE1-CG1 4.44Å; F504-I520 HydrophobicContact CE1-CG2 4.39Å; F504-I520 HydrophobicContact CG-CG2 4.37Å; F504-L536 HydrophobicContact CE1-CD1 3.93Å; F504-L536 HydrophobicContact CZ-CB 4.19Å; F504-L536 HydrophobicContact CZ-CD1 3.95Å; F504-M538 HydrophobicContact CB-SD 4.02Å; F504-M538 HydrophobicContact CD2-CG 3.73Å; F504-M538 HydrophobicContact CD2-SD 4.23Å; F504-M538 HydrophobicContact CE2-CG 4.27Å; F504-M538 HydrophobicContact CG-CG 4.35Å; F504-M538 HydrophobicContact CG-SD 4.42Å
505	K	92.4	Very high	89.1	Confident	128 Å²	128	70 Å²	70	56%	0.557	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.2	127	173.6	-82.2	-178.3	175.5	-69.6	0	110	W491 E492	W491-K505 WeakPolarHBondContact O-CA 3.27Å; E492-K505 HydrophobicContact CG-CD 4.42Å; E492-K505 HydrophobicContact CG-CG 3.53Å; E492-K505 WeakPolarHBondContact OE1-CE 3.31Å; E492-K505 IonicContact OE1-NZ 2.76Å; E492-K505 PolarHBondContact OE1-NZ 3.04Å
506	F	91.9	Very high	89.1	Confident	6 Å²	6	71.3 Å²	71.3	3%	0.026	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-67.1	150.9	169	-71.1	-90.2	0	0	0	110.6	I478 L488 S490 W491 L493 F504 F510 I520 L536 L553	I478-F506 HydrophobicContact CD1-CE1 4.06Å; I478-F506 HydrophobicContact CD1-CZ 3.64Å; L488-F506 HydrophobicContact CB-CG 4.44Å; L488-F506 WeakPolarHBondContact O-CB 3.33Å; S490-F506 WeakPolarHBondContact CA-O 3.28Å; W491-F506 HydrophobicContact CB-CD2 3.98Å; W491-F506 PolarHBondContact O-N 2.71Å; L493-F506 HydrophobicContact CB-CE2 4.12Å; F504-F506 HydrophobicContact CD1-CD2 4.36Å; F504-F506 HydrophobicContact CD1-CE2 4.24Å; F504-F506 HydrophobicContact CD1-CZ 4.35Å; F504-F506 AromaticContact CE1-CD1 3.96Å; F504-F506 HydrophobicContact CE1-CD1 3.96Å; F504-F506 HydrophobicContact CE1-CD2 4.32Å; F504-F506 HydrophobicContact CE1-CE1 4Å; F504-F506 HydrophobicContact CE1-CE2 4.36Å; F504-F506 HydrophobicContact CE1-CG 4.12Å; F504-F506 HydrophobicContact CE1-CZ 4.19Å; F506-F510 HydrophobicContact CB-CB 4.34Å; F506-F510 AromaticContact CD1-CD1 3.81Å; F506-F510 HydrophobicContact CD1-CD1 3.81Å; F506-F510 HydrophobicContact CD1-CD2 4.31Å; F506-F510 AromaticContact CD1-CE1 3.98Å; F506-F510 HydrophobicContact CD1-CE1 3.98Å; F506-F510 HydrophobicContact CD1-CE2 4.47Å; F506-F510 AromaticContact CD1-CG 3.98Å; F506-F510 HydrophobicContact CD1-CG 3.98Å; F506-F510 HydrophobicContact CD1-CZ 4.31Å; F506-F510 HydrophobicContact CE1-CD1 4.4Å; F506-F510 HydrophobicContact CE1-CE1 4.13Å; F506-F510 HydrophobicContact CE1-CZ 4.32Å; F506-I520 HydrophobicContact CE1-CG1 4.44Å; F506-I520 HydrophobicContact CZ-CD1 4.14Å; F506-I520 HydrophobicContact CZ-CG1 4.23Å; F506-L536 HydrophobicContact CD1-CD1 3.78Å; F506-L536 HydrophobicContact CE1-CD1 3.64Å; F506-L553 HydrophobicContact CE2-CD1 3.87Å
507	S	90.4	Very high	89	Confident	73 Å²	73	70.4 Å²	70.4	51%	0.51	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-66.5	151.4	177.3	86.7	0	0	0	0	110.9	A509 F510	S507-A509 PolarHBondContact O-N 3.38Å; S507-F510 WeakPolarHBondContact O-CB 3.41Å; S507-F510 PolarHBondContact O-N 3.19Å
508	R	87	Confident	89.2	Confident	229 Å²	229	70.3 Å²	70.3	86%	0.864	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-21.1	-176.4	-62.5	-165.2	176	-167.4	-1.7	114.6
509	A	86.7	Confident	89.7	Confident	93 Å²	93	66.4 Å²	66.4	77%	0.769	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.3	26	-179.5	0	0	0	0	0	112.5	S507	S507-A509 PolarHBondContact O-N 3.38Å
510	F	91.2	Very high	90.2	Very high	10 Å²	10	63.1 Å²	63.1	4%	0.044	33%	0.332	C	S	.	.			trans	-82	115.9	176.4	-171.8	-87	0	0	0	111.2	L488 F506 S507 L512 C518 P533 L536	L488-F510 HydrophobicContact CB-CD1 3.99Å; L488-F510 HydrophobicContact CD1-CD1 4.29Å; L488-F510 HydrophobicContact CD1-CE1 4.02Å; L488-F510 HydrophobicContact CG-CD1 4.24Å; L488-F510 HydrophobicContact CG-CE1 4.41Å; L488-F510 PolarHBondContact N-O 2.79Å; F506-F510 HydrophobicContact CB-CB 4.34Å; F506-F510 AromaticContact CD1-CD1 3.81Å; F506-F510 HydrophobicContact CD1-CD1 3.81Å; F506-F510 HydrophobicContact CD1-CD2 4.31Å; F506-F510 AromaticContact CD1-CE1 3.98Å; F506-F510 HydrophobicContact CD1-CE1 3.98Å; F506-F510 HydrophobicContact CD1-CE2 4.47Å; F506-F510 AromaticContact CD1-CG 3.98Å; F506-F510 HydrophobicContact CD1-CG 3.98Å; F506-F510 HydrophobicContact CD1-CZ 4.31Å; F506-F510 HydrophobicContact CE1-CD1 4.4Å; F506-F510 HydrophobicContact CE1-CE1 4.13Å; F506-F510 HydrophobicContact CE1-CZ 4.32Å; S507-F510 WeakPolarHBondContact O-CB 3.41Å; S507-F510 PolarHBondContact O-N 3.19Å; F510-L512 HydrophobicContact CE1-CB 4.17Å; F510-C518 HydrophobicContact CZ-CB 4.05Å; F510-P533 HydrophobicContact CD2-CB 4.37Å; F510-P533 HydrophobicContact CE2-CB 3.61Å; F510-P533 HydrophobicContact CZ-CB 3.93Å; F510-L536 HydrophobicContact CD2-CD1 4.17Å; F510-L536 HydrophobicContact CE2-CD1 3.65Å; F510-L536 HydrophobicContact CE2-CD2 4.1Å; F510-L536 HydrophobicContact CE2-CG 4.17Å; F510-L536 HydrophobicContact CZ-CD1 4.12Å
511	S	90.3	Very high	90.5	Very high	35 Å²	35	60.2 Å²	60.2	25%	0.245	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	146.4	169.8	69.7	0	0	0	0	111.3	E485 M486 N487	E485-S511 WeakPolarHBondContact OE1-CB 3.34Å; E485-S511 PolarHBondContact OE1-OG 3.35Å; M486-S511 CarbonylContact O-C 3.54Å; M486-S511 WeakPolarHBondContact O-CA 3.31Å; N487-S511 VanDerWaalsContact OD1-CB 3.24Å; N487-S511 WeakPolarHBondContact OD1-CB 3.44Å
512	L	90.2	Very high	90.4	Very high	3 Å²	3	55.3 Å²	55.3	2%	0.016	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	109.9	178.1	-168.8	62.6	0	0	0	109.3	N480 M486 L488 F510 A516 C518	N480-L512 HydrophobicContact CB-CD2 4.01Å; N480-L512 HydrophobicContact CB-CG 4.05Å; N480-L512 PolarHBondContact ND2-O 3.25Å; M486-L512 PolarHBondContact N-O 3.44Å; M486-L512 PolarHBondContact O-N 2.9Å; L488-L512 HydrophobicContact CD1-CD2 4.37Å; F510-L512 HydrophobicContact CE1-CB 4.17Å; L512-A516 HydrophobicContact CD1-CB 3.74Å; L512-A516 HydrophobicContact CG-CB 4.24Å; L512-C518 HydrophobicContact CD1-CB 4Å; L512-C518 HydrophobicContact CD2-CB 4.5Å
513	K	91.9	Very high	90.2	Very high	134 Å²	134	59.2 Å²	59.2	58%	0.583	31%	0.311	S	S	*	.			trans	-61.1	159.1	-178.1	-69	-173.7	177.8	-174.1	0	112.5	N480 E485 G515 A516	N480-K513 PolarHBondContact ND2-O 2.81Å; E485-K513 HydrophobicContact CG-CG 4.4Å; K513-G515 PolarHBondContact O-N 2.84Å; K513-A516 HydrophobicContact CB-CB 4.08Å; K513-A516 WeakPolarHBondContact O-CB 3.25Å; K513-A516 PolarHBondContact O-N 3.01Å
514	P	89.1	Confident	89.7	Confident	62 Å²	62	58.2 Å²	58.2	40%	0.403	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	130.9	175.1	-27.5	35.7	0	0	0	112.1	N483 A516	N483-P514 VanDerWaalsContact C-CG 3.46Å; N483-P514 WeakPolarHBondContact O-CG 3.37Å; P514-A516 PolarHBondContact O-N 3.39Å
515	G	87.4	Confident	89	Confident	57 Å²	57	56.8 Å²	56.8	59%	0.588	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	1.7	-178.4	0	0	0	0	0	116	N480 K513	N480-G515 VanDerWaalsContact O-CA 3.27Å; N480-G515 WeakPolarHBondContact O-CA 3.47Å; N480-G515 PolarHBondContact O-N 3.31Å; K513-G515 PolarHBondContact O-N 2.84Å
516	A	90.6	Very high	88.2	Confident	32 Å²	32	58.8 Å²	58.8	26%	0.264	32%	0.32	S	S	.	.			trans	-76.2	146.5	179.4	0	0	0	0	0	111.6	H479 N480 L512 K513 P514	H479-A516 WeakPolarHBondContact CA-O 3.41Å; N480-A516 PolarHBondContact N-O 3.04Å; N480-A516 VanDerWaalsContact N-O 3.12Å; L512-A516 HydrophobicContact CD1-CB 3.74Å; L512-A516 HydrophobicContact CG-CB 4.24Å; K513-A516 HydrophobicContact CB-CB 4.08Å; K513-A516 WeakPolarHBondContact O-CB 3.25Å; K513-A516 PolarHBondContact O-N 3.01Å; P514-A516 PolarHBondContact O-N 3.39Å
517	I	90.4	Very high	87.2	Confident	73 Å²	73	62.2 Å²	62.2	37%	0.374	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	135.5	178.6	-54.5	175.2	0	0	0	108.2	F466 K477 I478 H479	F466-I517 HydrophobicContact CD2-CD1 4.4Å; F466-I517 HydrophobicContact CE2-CD1 4.01Å; K477-I517 HydrophobicContact CB-CG2 4.34Å; K477-I517 HydrophobicContact CD-CG2 4.33Å; K477-I517 HydrophobicContact CG-CG2 4.24Å; I478-I517 WeakPolarHBondContact O-CA 3.18Å; H479-I517 HydrophobicContact CB-CB 4.48Å; H479-I517 HydrophobicContact CB-CG1 3.93Å
518	C	90.7	Very high	86.2	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	124.3	169.4	169	0	0	0	0	109.3	K477 I478 F510 L512 A534	K477-C518 WeakPolarHBondContact CA-O 3.4Å; I478-C518 HydrophobicContact CD1-CB 4.37Å; I478-C518 HydrophobicContact CG1-CB 3.9Å; I478-C518 PolarHBondContact N-O 3.43Å; I478-C518 PolarHBondContact O-N 3.19Å; F510-C518 HydrophobicContact CZ-CB 4.05Å; L512-C518 HydrophobicContact CD1-CB 4Å; L512-C518 HydrophobicContact CD2-CB 4.5Å; C518-A534 WeakPolarHBondContact CA-O 3.31Å
519	T	91.5	Very high	85.6	Confident	12 Å²	12	53.2 Å²	53.2	7%	0.074	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	117.3	172.9	-47.5	0	0	0	0	109.2	W475 K477 W521 A534 D535 L536	W475-T519 HydrophobicContact CB-CG2 3.65Å; W475-T519 HydrophobicContact CD2-CG2 4.31Å; W475-T519 HydrophobicContact CE3-CG2 4.44Å; W475-T519 HydrophobicContact CG-CG2 4.02Å; K477-T519 WeakPolarHBondContact CE-OG1 3.21Å; K477-T519 HydrophobicContact CG-CG2 3.91Å; T519-W521 HydrophobicContact CG2-CD2 4.09Å; T519-W521 HydrophobicContact CG2-CG 4.27Å; T519-W521 HydrophobicContact CG2-CZ2 3.94Å; T519-W521 VanDerWaalsContact CG2-NE1 3.35Å; T519-A534 PolarHBondContact N-O 3.36Å; T519-D535 WeakPolarHBondContact CB-OD1 3.22Å; T519-D535 WeakPolarHBondContact O-CA 3.44Å; T519-L536 PolarHBondContact O-N 2.79Å
520	I	91.4	Very high	85.4	Confident	0 Å²	0	53 Å²	53	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	118.1	170.5	-54.1	83.1	0	0	0	107	W475 I476 I478 L493 F504 F506 L536 M538 F543	W475-I520 CarbonylContact C-O 3.59Å; W475-I520 WeakPolarHBondContact CA-O 3.28Å; W475-I520 WeakPolarHBondContact CB-O 3.34Å; I476-I520 PolarHBondContact N-O 3.02Å; I476-I520 PolarHBondContact O-N 2.74Å; I478-I520 HydrophobicContact CD1-CD1 4.23Å; I478-I520 HydrophobicContact CG1-CD1 4.04Å; L493-I520 HydrophobicContact CD1-CD1 4.01Å; L493-I520 HydrophobicContact CD1-CG1 4.34Å; F504-I520 HydrophobicContact CD1-CG2 4.24Å; F504-I520 HydrophobicContact CE1-CG1 4.44Å; F504-I520 HydrophobicContact CE1-CG2 4.39Å; F504-I520 HydrophobicContact CG-CG2 4.37Å; F506-I520 HydrophobicContact CE1-CG1 4.44Å; F506-I520 HydrophobicContact CZ-CD1 4.14Å; F506-I520 HydrophobicContact CZ-CG1 4.23Å; I520-L536 CarbonylContact C-O 3.59Å; I520-L536 WeakPolarHBondContact CA-O 3.41Å; I520-M538 HydrophobicContact CG2-CG 3.95Å; I520-F543 HydrophobicContact CB-CZ 4.38Å; I520-F543 HydrophobicContact CG2-CE2 4.29Å; I520-F543 HydrophobicContact CG2-CZ 3.82Å
521	W	91.2	Very high	85.1	Confident	52 Å²	52	56.9 Å²	56.9	20%	0.197	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	140.3	-176.4	-67.7	90.4	0	0	0	111.4	W475 T519 A525 N528 D535 L536 T537 M538	W475-W521 HydrophobicContact CB-CD2 4.08Å; W475-W521 HydrophobicContact CB-CE3 3.91Å; W475-W521 HydrophobicContact CB-CZ3 4.29Å; W475-W521 AromaticContact CD1-CE3 3.96Å; W475-W521 AromaticContact CD1-CH2 3.78Å; W475-W521 AromaticContact CD1-CZ3 3.46Å; W475-W521 VanDerWaalsContact CD1-CZ3 3.46Å; W475-W521 HydrophobicContact CG-CE3 4.31Å; W475-W521 HydrophobicContact CG-CH2 4.44Å; W475-W521 HydrophobicContact CG-CZ3 4.18Å; T519-W521 HydrophobicContact CG2-CD2 4.09Å; T519-W521 HydrophobicContact CG2-CG 4.27Å; T519-W521 HydrophobicContact CG2-CZ2 3.94Å; T519-W521 VanDerWaalsContact CG2-NE1 3.35Å; W521-A525 HydrophobicContact CE3-CB 3.99Å; W521-N528 HydrophobicContact CB-CB 4.22Å; W521-N528 HydrophobicContact CG-CB 4.46Å; W521-D535 PolarHBondContact NE1-OD1 3.22Å; W521-L536 PolarHBondContact N-O 2.89Å; W521-T537 HydrophobicContact CB-CG2 4.37Å; W521-M538 PolarHBondContact O-N 3.26Å
522	S	88.7	Confident	84.7	Confident	0 Å²	0	59 Å²	59	0%	0	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-72.2	154.9	168.7	78.6	0	0	0	0	111.2	K474 D524 A525 N528	K474-S522 PolarHBondContact O-N 3.39Å; K474-S522 PolarHBondContact O-OG 2.83Å; S522-D524 VanDerWaalsContact C-N 3.31Å; S522-D524 WeakPolarHBondContact CB-OD1 3.35Å; S522-D524 PolarHBondContact O-N 3.36Å; S522-D524 PolarHBondContact OG-OD1 2.86Å; S522-A525 WeakPolarHBondContact O-CB 3.34Å; S522-A525 PolarHBondContact O-N 2.78Å; S522-A525 PolarHBondContact OG-N 2.79Å; S522-N528 PolarHBondContact O-ND2 2.79Å
523	Q	85.6	Confident	84.2	Confident	95 Å²	95	62.3 Å²	62.3	44%	0.444	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-29.4	179.8	-177.4	173.7	-5.5	0	0	113.1	A525 N528 K541	Q523-A525 VanDerWaalsContact C-N 3.32Å; Q523-N528 PolarHBondContact O-ND2 3.29Å; Q523-K541 VanDerWaalsContact CB-O 3.28Å; Q523-K541 WeakPolarHBondContact CB-O 3.41Å; Q523-K541 PolarHBondContact N-O 2.78Å
524	D	83.2	Confident	83.9	Confident	97 Å²	97	58.1 Å²	58.1	52%	0.519	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-5.5	179	62.8	-55.7	0	0	0	113.8	S522 E526 S542	S522-D524 VanDerWaalsContact C-N 3.31Å; S522-D524 WeakPolarHBondContact CB-OD1 3.35Å; S522-D524 PolarHBondContact O-N 3.36Å; S522-D524 PolarHBondContact OG-OD1 2.86Å; D524-E526 PolarHBondContact O-N 2.98Å; D524-E526 VanDerWaalsContact O-N 3.1Å; D524-S542 WeakPolarHBondContact OD1-CB 3.33Å
525	A	77.1	Confident	83.9	Confident	1 Å²	1	57 Å²	57	1%	0.008	34%	0.344	C	S	.	.			trans	-70.8	102.1	174.9	0	0	0	0	0	111.7	K474 W521 S522 Q523 G527 N528	K474-A525 HydrophobicContact CB-CB 3.96Å; K474-A525 HydrophobicContact CG-CB 4.48Å; W521-A525 HydrophobicContact CE3-CB 3.99Å; S522-A525 WeakPolarHBondContact O-CB 3.34Å; S522-A525 PolarHBondContact O-N 2.78Å; S522-A525 PolarHBondContact OG-N 2.79Å; Q523-A525 VanDerWaalsContact C-N 3.32Å; A525-G527 PolarHBondContact O-N 3.06Å; A525-N528 HydrophobicContact CB-CB 4.36Å; A525-N528 VanDerWaalsContact O-CB 3.29Å; A525-N528 WeakPolarHBondContact O-CB 2.98Å; A525-N528 PolarHBondContact O-N 2.8Å; A525-N528 VanDerWaalsContact O-N 3.09Å; A525-N528 PolarHBondContact O-ND2 3Å; A525-N528 VanDerWaalsContact O-ND2 3.12Å
526	E	76.1	Confident	84.1	Confident	171 Å²	171	54.8 Å²	54.8	80%	0.799	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.6	130.2	169.1	-64.2	174.3	145.9	0	0	111.6	D524	D524-E526 PolarHBondContact O-N 2.98Å; D524-E526 VanDerWaalsContact O-N 3.1Å
527	G	71.2	Confident	84	Confident	77 Å²	77	54.3 Å²	54.3	79%	0.794	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	11.7	-178.5	0	0	0	0	0	115.3	A525	A525-G527 PolarHBondContact O-N 3.06Å
528	N	69.8	Low	83.8	Confident	56 Å²	56	51 Å²	51	30%	0.299	30%	0.296	S	S	.	.			trans	-58.9	143.2	174.2	57.9	24.1	0	0	0	112.6	W521 S522 Q523 A525 T537	W521-N528 HydrophobicContact CB-CB 4.22Å; W521-N528 HydrophobicContact CG-CB 4.46Å; S522-N528 PolarHBondContact O-ND2 2.79Å; Q523-N528 PolarHBondContact O-ND2 3.29Å; A525-N528 HydrophobicContact CB-CB 4.36Å; A525-N528 VanDerWaalsContact O-CB 3.29Å; A525-N528 WeakPolarHBondContact O-CB 2.98Å; A525-N528 PolarHBondContact O-N 2.8Å; A525-N528 VanDerWaalsContact O-N 3.09Å; A525-N528 PolarHBondContact O-ND2 3Å; A525-N528 VanDerWaalsContact O-ND2 3.12Å; N528-T537 HydrophobicContact CB-CG2 4.07Å; N528-T537 WeakPolarHBondContact ND2-CG2 3.37Å
529	S	72.7	Confident	83.5	Confident	57 Å²	57	58.7 Å²	58.7	40%	0.399	33%	0.329	S	S	.	.			trans	-130.7	142.4	178.7	-159.8	0	0	0	0	109	N531 D535 T537	S529-N531 PolarHBondContact OG-ND2 2.93Å; S529-D535 VanDerWaalsContact O-CB 3.29Å; S529-D535 WeakPolarHBondContact O-CB 3.3Å; S529-T537 PolarHBondContact O-OG1 3.49Å
530	H	83.2	Confident	83.2	Confident	90 Å²	90	65.1 Å²	65.1	42%	0.417	36%	0.363	S	S	.	.			trans	-113.1	81.5	-175.7	-172.2	25	0	0	0	111.1	P532 D535	H530-P532 VanDerWaalsContact C-CD 3.48Å; H530-P532 VanDerWaalsContact O-CD 3.24Å; H530-P532 WeakPolarHBondContact O-CD 3.3Å; H530-D535 CarbonylContact C-O 3.48Å; H530-D535 PolarHBondContact ND1-O 3.05Å
531	N	85	Confident	82.9	Confident	91 Å²	91	69.8 Å²	69.8	49%	0.487	38%	0.383	S	S	.	.			trans	-114.7	76	-179.8	-60.4	-48.2	0	0	0	110.4	S529 A534 D535	S529-N531 PolarHBondContact OG-ND2 2.93Å; N531-A534 PolarHBondContact O-N 3.29Å; N531-D535 CarbonylContact C-O 3.54Å; N531-D535 HydrophobicContact CB-CB 4.43Å; N531-D535 PolarHBondContact N-O 3.23Å; N531-D535 PolarHBondContact O-N 2.86Å
532	P	81.3	Confident	82.7	Confident	79 Å²	79	69.2 Å²	69.2	51%	0.513	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	140.5	175.5	25.9	-33.8	0	0	0	110.9	H530 L536	H530-P532 VanDerWaalsContact C-CD 3.48Å; H530-P532 VanDerWaalsContact O-CD 3.24Å; H530-P532 WeakPolarHBondContact O-CD 3.3Å; P532-L536 HydrophobicContact CB-CD2 3.78Å
533	P	80.3	Confident	82.7	Confident	72 Å²	72	69.5 Å²	69.5	47%	0.468	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	cis	-89.2	-5	6.2	35.7	-36.5	0	0	0	115.3	F510	F510-P533 HydrophobicContact CD2-CB 4.37Å; F510-P533 HydrophobicContact CE2-CB 3.61Å; F510-P533 HydrophobicContact CZ-CB 3.93Å
534	A	85.3	Confident	82.6	Confident	46 Å²	46	67.8 Å²	67.8	38%	0.38	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-40.9	-173.1	0	0	0	0	0	113.3	C518 T519 N531	C518-A534 WeakPolarHBondContact CA-O 3.31Å; T519-A534 PolarHBondContact N-O 3.36Å; N531-A534 PolarHBondContact O-N 3.29Å
535	D	89.9	Confident	82.5	Confident	38 Å²	38	67.3 Å²	67.3	20%	0.203	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	115.8	-177.9	-64.3	-65.7	0	0	0	112.2	T519 W521 S529 H530 N531	T519-D535 WeakPolarHBondContact CB-OD1 3.22Å; T519-D535 WeakPolarHBondContact O-CA 3.44Å; W521-D535 PolarHBondContact NE1-OD1 3.22Å; S529-D535 VanDerWaalsContact O-CB 3.29Å; S529-D535 WeakPolarHBondContact O-CB 3.3Å; H530-D535 CarbonylContact C-O 3.48Å; H530-D535 PolarHBondContact ND1-O 3.05Å; N531-D535 CarbonylContact C-O 3.54Å; N531-D535 HydrophobicContact CB-CB 4.43Å; N531-D535 PolarHBondContact N-O 3.23Å; N531-D535 PolarHBondContact O-N 2.86Å
536	L	90.1	Very high	82.6	Confident	12 Å²	12	67.5 Å²	67.5	6%	0.063	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	99.2	-178.6	-62.7	-176.2	0	0	0	111	F504 F506 F510 T519 I520 W521 P532	F504-L536 HydrophobicContact CE1-CD1 3.93Å; F504-L536 HydrophobicContact CZ-CB 4.19Å; F504-L536 HydrophobicContact CZ-CD1 3.95Å; F506-L536 HydrophobicContact CD1-CD1 3.78Å; F506-L536 HydrophobicContact CE1-CD1 3.64Å; F510-L536 HydrophobicContact CD2-CD1 4.17Å; F510-L536 HydrophobicContact CE2-CD1 3.65Å; F510-L536 HydrophobicContact CE2-CD2 4.1Å; F510-L536 HydrophobicContact CE2-CG 4.17Å; F510-L536 HydrophobicContact CZ-CD1 4.12Å; T519-L536 PolarHBondContact O-N 2.79Å; I520-L536 CarbonylContact C-O 3.59Å; I520-L536 WeakPolarHBondContact CA-O 3.41Å; W521-L536 PolarHBondContact N-O 2.89Å; P532-L536 HydrophobicContact CB-CD2 3.78Å
537	T	89.2	Confident	82.9	Confident	21 Å²	21	63.1 Å²	63.1	13%	0.129	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	127.4	172.3	-39.1	0	0	0	0	110.9	W521 N528 S529	W521-T537 HydrophobicContact CB-CG2 4.37Å; N528-T537 HydrophobicContact CB-CG2 4.07Å; N528-T537 WeakPolarHBondContact ND2-CG2 3.37Å; S529-T537 PolarHBondContact O-OG1 3.49Å
538	M	87.4	Confident	83.6	Confident	3 Å²	3	63.2 Å²	63.2	2%	0.015	35%	0.35	C	S	.	.			trans	-65.9	144.4	173.4	-65.6	-159.8	-69.2	0	0	111.7	T502 F504 I520 W521 K541 F543	T502-M538 HydrophobicContact CG2-CE 4.17Å; T502-M538 HydrophobicContact CG2-SD 4.24Å; F504-M538 HydrophobicContact CB-SD 4.02Å; F504-M538 HydrophobicContact CD2-CG 3.73Å; F504-M538 HydrophobicContact CD2-SD 4.23Å; F504-M538 HydrophobicContact CE2-CG 4.27Å; F504-M538 HydrophobicContact CG-CG 4.35Å; F504-M538 HydrophobicContact CG-SD 4.42Å; I520-M538 HydrophobicContact CG2-CG 3.95Å; W521-M538 PolarHBondContact O-N 3.26Å; M538-K541 HydrophobicContact CB-CB 4.14Å; M538-K541 HydrophobicContact CE-CB 4.14Å; M538-K541 HydrophobicContact SD-CB 4.06Å; M538-F543 HydrophobicContact CE-CD1 3.51Å; M538-F543 HydrophobicContact CE-CD2 3.87Å; M538-F543 HydrophobicContact CE-CE1 3.34Å; M538-F543 HydrophobicContact CE-CE2 3.7Å; M538-F543 HydrophobicContact CE-CG 3.77Å; M538-F543 HydrophobicContact CE-CZ 3.43Å; M538-F543 VanDerWaalsContact CE-CZ 3.43Å; M538-F543 HydrophobicContact CG-CZ 4.48Å; M538-F543 HydrophobicContact SD-CD1 4.38Å; M538-F543 HydrophobicContact SD-CE1 3.67Å; M538-F543 HydrophobicContact SD-CE2 4.47Å; M538-F543 HydrophobicContact SD-CZ 3.72Å
539	K	84	Confident	84.5	Confident	162 Å²	162	61.4 Å²	61.4	70%	0.704	34%	0.34	S	S	*	.	S	Bend	trans	-104.3	128.1	174.6	-63.9	-176.3	-178.8	-179.8	0	110.4	K541	K539-K541 PolarHBondContact O-N 3.48Å
540	N	83.6	Confident	85.4	Confident	147 Å²	147	60 Å²	60	79%	0.786	33%	0.329	S	S	*	.	S	Bend	trans	56.3	31.1	-179.1	-59.7	-4.2	0	0	0	113.9
541	K	86.7	Confident	85.8	Confident	98 Å²	98	55.9 Å²	55.9	43%	0.426	31%	0.311	S	S	.	.			trans	-149.7	138.9	-177.1	-66.5	179.8	178.9	173.2	0	111.1	T502 R503 Q523 M538 K539	T502-K541 HydrophobicContact CG2-CB 4.12Å; T502-K541 HydrophobicContact CG2-CD 4.31Å; R503-K541 WeakPolarHBondContact O-CD 3.16Å; R503-K541 PolarHBondContact O-NZ 2.77Å; Q523-K541 VanDerWaalsContact CB-O 3.28Å; Q523-K541 WeakPolarHBondContact CB-O 3.41Å; Q523-K541 PolarHBondContact N-O 2.78Å; M538-K541 HydrophobicContact CB-CB 4.14Å; M538-K541 HydrophobicContact CE-CB 4.14Å; M538-K541 HydrophobicContact SD-CB 4.06Å; K539-K541 PolarHBondContact O-N 3.48Å
542	S	87.3	Confident	86.2	Confident	41 Å²	41	53.3 Å²	53.3	29%	0.287	30%	0.297	S	S	.	.			trans	-121.4	151.8	170.6	51.1	0	0	0	0	109.6	T502 D524 H544	T502-S542 PolarHBondContact OG1-O 2.81Å; D524-S542 WeakPolarHBondContact OD1-CB 3.33Å; S542-H544 PolarHBondContact O-CE1 3.27Å; S542-H544 PolarHBondContact O-ND1 3.49Å
543	F	87.8	Confident	86.9	Confident	5 Å²	5	49.6 Å²	49.6	2%	0.022	27%	0.272	C	S	.	.			trans	-78.3	166.9	164.1	-60.1	-53.3	0	0	0	109.1	G473 I476 L493 H495 T502 I520 M538	G473-F543 VanDerWaalsContact O-CB 3.29Å; G473-F543 WeakPolarHBondContact O-CB 3.19Å; I476-F543 HydrophobicContact CB-CE2 4.44Å; I476-F543 HydrophobicContact CD1-CD1 3.9Å; I476-F543 HydrophobicContact CD1-CD2 4.1Å; I476-F543 HydrophobicContact CD1-CE1 3.49Å; I476-F543 VanDerWaalsContact CD1-CE1 3.49Å; I476-F543 HydrophobicContact CD1-CE2 3.73Å; I476-F543 HydrophobicContact CD1-CG 4.19Å; I476-F543 HydrophobicContact CD1-CZ 3.4Å; I476-F543 VanDerWaalsContact CD1-CZ 3.4Å; I476-F543 HydrophobicContact CG1-CD2 4.13Å; I476-F543 HydrophobicContact CG1-CE1 4.45Å; I476-F543 HydrophobicContact CG1-CE2 3.78Å; I476-F543 HydrophobicContact CG1-CZ 3.96Å; L493-F543 HydrophobicContact CD2-CE1 4.08Å; L493-F543 HydrophobicContact CD2-CZ 4.37Å; H495-F543 HydrophobicContact CB-CD1 3.65Å; H495-F543 HydrophobicContact CB-CE1 3.9Å; H495-F543 AromaticContact CD2-CD1 3.62Å; H495-F543 AromaticContact CD2-CG 3.93Å; H495-F543 AromaticContact CG-CD1 3.55Å; T502-F543 HydrophobicContact CG2-CD1 4.39Å; I520-F543 HydrophobicContact CB-CZ 4.38Å; I520-F543 HydrophobicContact CG2-CE2 4.29Å; I520-F543 HydrophobicContact CG2-CZ 3.82Å; M538-F543 HydrophobicContact CE-CD1 3.51Å; M538-F543 HydrophobicContact CE-CD2 3.87Å; M538-F543 HydrophobicContact CE-CE1 3.34Å; M538-F543 HydrophobicContact CE-CE2 3.7Å; M538-F543 HydrophobicContact CE-CG 3.77Å; M538-F543 HydrophobicContact CE-CZ 3.43Å; M538-F543 VanDerWaalsContact CE-CZ 3.43Å; M538-F543 HydrophobicContact CG-CZ 4.48Å; M538-F543 HydrophobicContact SD-CD1 4.38Å; M538-F543 HydrophobicContact SD-CE1 3.67Å; M538-F543 HydrophobicContact SD-CE2 4.47Å; M538-F543 HydrophobicContact SD-CZ 3.72Å
544	H	84.1	Confident	87.4	Confident	60 Å²	60	47.5 Å²	47.5	28%	0.278	26%	0.257	S	S	.	.			trans	-126.4	121.9	-170.6	-70.5	74.6	0	0	0	110.1	H495 A497 H500 S542 G546	H495-H544 PolarHBondContact CE1-N 2.8Å; H495-H544 PolarHBondContact CE1-O 3.47Å; H495-H544 PolarHBondContact NE2-O 2.83Å; A497-H544 HydrophobicContact CB-CB 4.18Å; A497-H544 WeakPolarHBondContact CB-O 3.22Å; H500-H544 HydrophobicContact CB-CB 4.33Å; S542-H544 PolarHBondContact O-CE1 3.27Å; S542-H544 PolarHBondContact O-ND1 3.49Å; H544-G546 PolarHBondContact O-N 3.37Å
545	P	81	Confident	87.7	Confident	87 Å²	87	47 Å²	47	57%	0.565	25%	0.248	S	C	*	.			trans	-78.9	91.4	-175.1	29.8	-34.7	0	0	0	112.7
546	G	79.4	Confident	87.6	Confident	5 Å²	5	49.3 Å²	49.3	5%	0.052	26%	0.264	C	S	.	.			trans	-82.3	179.7	-177.6	0	0	0	0	0	116.4	D498 H544 R568	D498-G546 VanDerWaalsContact CG-CA 3.47Å; D498-G546 VanDerWaalsContact OD2-CA 3.27Å; D498-G546 WeakPolarHBondContact OD2-CA 3.13Å; H544-G546 PolarHBondContact O-N 3.37Å; G546-R568 PolarHBondContact O-NH1 3.36Å; G546-R568 PolarHBondContact O-NH2 2.84Å; G546-R568 VanDerWaalsContact O-NH2 3.12Å
547	T	81.1	Confident	87.5	Confident	79 Å²	79	55.7 Å²	55.7	49%	0.485	30%	0.298	S	S	.	.	S	Bend	trans	-77.8	-37.9	161.8	55.3	0	0	0	0	112	D498 R568	D498-T547 PolarHBondContact OD1-N 3.4Å; D498-T547 PolarHBondContact OD1-OG1 2.9Å; D498-T547 PolarHBondContact OD2-N 3.02Å; T547-R568 VanDerWaalsContact CG2-NH2 3.32Å; T547-R568 WeakPolarHBondContact O-CB 3.49Å; T547-R568 PolarHBondContact O-N 3.26Å
548	E	85.8	Confident	87.2	Confident	78 Å²	78	56.8 Å²	56.8	36%	0.364	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	127.9	171.1	175.8	158.7	170	0	0	107.4	K567	E548-K567 HydrophobicContact CG-CG 4.08Å; E548-K567 WeakPolarHBondContact OE1-CE 3.04Å; E548-K567 IonicContact OE1-NZ 2.72Å; E548-K567 PolarHBondContact OE1-NZ 2.78Å; E548-K567 VanDerWaalsContact OE2-CE 3.3Å; E548-K567 WeakPolarHBondContact OE2-CE 3.15Å; E548-K567 IonicContact OE2-NZ 3.16Å; E548-K567 PolarHBondContact OE2-NZ 2.87Å
549	V	89.9	Confident	87.3	Confident	18 Å²	18	62.3 Å²	62.3	11%	0.109	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	124.9	-179.3	-177.6	0	0	0	0	108.6	H495 E496 A497 I551 T565 V566	H495-V549 WeakPolarHBondContact NE2-CG1 3.37Å; E496-V549 CarbonylContact O-C 3.58Å; E496-V549 WeakPolarHBondContact O-CA 3.3Å; A497-V549 HydrophobicContact CB-CB 4.4Å; A497-V549 HydrophobicContact CB-CG1 4.24Å; A497-V549 HydrophobicContact CB-CG2 3.87Å; V549-I551 HydrophobicContact CG1-CD1 4.47Å; V549-I551 HydrophobicContact CG1-CG1 4.03Å; V549-T565 CarbonylContact O-C 3.34Å; V549-T565 WeakPolarHBondContact O-CA 3.47Å; V549-V566 HydrophobicContact CB-CB 4.32Å; V549-V566 PolarHBondContact N-O 3.43Å; V549-V566 PolarHBondContact O-N 3.36Å
550	T	91.1	Very high	87.5	Confident	27 Å²	27	57 Å²	57	17%	0.166	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	125.3	176.5	26.1	0	0	0	0	108.8	E496 T565	E496-T550 WeakPolarHBondContact CB-OG1 3.42Å; E496-T550 WeakPolarHBondContact CG-OG1 3.12Å; E496-T550 PolarHBondContact N-O 2.87Å; E496-T550 PolarHBondContact O-N 3.41Å; E496-T550 PolarHBondContact O-OG1 2.89Å; E496-T550 WeakPolarHBondContact OE2-CB 3.21Å; E496-T550 PolarHBondContact OE2-OG1 2.72Å; T550-T565 HydrophobicContact CG2-CG2 4.02Å
551	I	92.6	Very high	87.8	Confident	5 Å²	5	52.1 Å²	52.1	3%	0.026	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	127.2	179	-46	169.2	0	0	0	107.8	F465 I476 L493 V494 V549 K563 C564	F465-I551 HydrophobicContact CE1-CB 4.37Å; F465-I551 HydrophobicContact CE1-CG2 3.56Å; F465-I551 HydrophobicContact CZ-CB 4.24Å; F465-I551 HydrophobicContact CZ-CG2 3.57Å; I476-I551 HydrophobicContact CD1-CD1 3.99Å; I476-I551 HydrophobicContact CD1-CG1 4.38Å; I476-I551 HydrophobicContact CD1-CG2 4.01Å; I476-I551 HydrophobicContact CG1-CD1 4.13Å; I476-I551 HydrophobicContact CG2-CD1 4.16Å; I476-I551 HydrophobicContact CG2-CG2 4.29Å; L493-I551 HydrophobicContact CD2-CG2 4.18Å; L493-I551 HydrophobicContact CG-CG2 4.26Å; V494-I551 CarbonylContact O-C 3.56Å; V494-I551 WeakPolarHBondContact O-CA 3.24Å; V549-I551 HydrophobicContact CG1-CD1 4.47Å; V549-I551 HydrophobicContact CG1-CG1 4.03Å; I551-K563 CarbonylContact O-C 3.59Å; I551-K563 VanDerWaalsContact O-CA 3.31Å; I551-K563 WeakPolarHBondContact O-CA 3.26Å; I551-C564 HydrophobicContact CB-CB 4.33Å; I551-C564 PolarHBondContact N-O 2.86Å; I551-C564 PolarHBondContact O-N 3.42Å
552	L	93	Very high	88	Confident	37 Å²	37	47.5 Å²	47.5	19%	0.194	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	146.9	177.2	-52.3	173.8	0	0	0	109.7	L493 V494 L554 E560 K563	L493-L552 CarbonylContact C-O 3.59Å; L493-L552 WeakPolarHBondContact CA-O 3.03Å; V494-L552 HydrophobicContact CB-CB 4.26Å; V494-L552 PolarHBondContact N-O 3.11Å; V494-L552 PolarHBondContact O-N 3.27Å; L552-L554 HydrophobicContact CB-CD2 4.17Å; L552-E560 HydrophobicContact CD2-CG 4.29Å; L552-E560 WeakPolarHBondContact CD2-OE2 3.09Å; L552-K563 HydrophobicContact CD2-CB 3.96Å; L552-K563 HydrophobicContact CD2-CD 4Å; L552-K563 HydrophobicContact CD2-CG 3.71Å
553	L	94.4	Very high	88.2	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	118.3	168	-174.5	63.4	0	0	0	107.8	V463 F465 W491 L493 F506 Q561 A562	V463-L553 HydrophobicContact CB-CD2 4.28Å; V463-L553 HydrophobicContact CG1-CD2 3.72Å; F465-L553 HydrophobicContact CE2-CB 4.18Å; F465-L553 HydrophobicContact CZ-CB 3.96Å; W491-L553 HydrophobicContact CE3-CD1 4.01Å; W491-L553 HydrophobicContact CE3-CD2 3.94Å; W491-L553 HydrophobicContact CE3-CG 3.75Å; W491-L553 HydrophobicContact CZ3-CD2 3.8Å; W491-L553 HydrophobicContact CZ3-CG 3.96Å; L493-L553 HydrophobicContact CB-CD1 4.36Å; F506-L553 HydrophobicContact CE2-CD1 3.87Å; L553-Q561 PolarHBondContact O-N 3.41Å; L553-A562 HydrophobicContact CB-CB 4.18Å; L553-A562 PolarHBondContact N-O 2.82Å; L553-A562 PolarHBondContact O-N 2.71Å
554	L	92.7	Very high	88.4	Confident	28 Å²	28	48.4 Å²	48.4	15%	0.147	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	138.1	-174	-52	-178.2	0	0	0	110.9	W491 E492 V494 L552 E559 E560	W491-L554 WeakPolarHBondContact CA-O 3.31Å; W491-L554 WeakPolarHBondContact CB-O 3.41Å; E492-L554 HydrophobicContact CB-CB 4.27Å; E492-L554 PolarHBondContact N-O 2.87Å; E492-L554 PolarHBondContact O-N 2.85Å; V494-L554 HydrophobicContact CG2-CD1 3.8Å; V494-L554 HydrophobicContact CG2-CG 4.34Å; L552-L554 HydrophobicContact CB-CD2 4.17Å; L554-E559 VanDerWaalsContact CA-O 3.3Å; L554-E559 WeakPolarHBondContact CA-O 3.42Å; L554-E560 HydrophobicContact CD2-CB 4.37Å
555	D	90.3	Very high	88.7	Confident	37 Å²	37	46.9 Å²	46.9	20%	0.198	26%	0.263	C	S	.	.			trans	-70.5	178.4	174.3	-144.2	-44.8	0	0	0	112.3	W491 D557 G558 E559 Q561	W491-D555 HydrophobicContact CZ2-CB 4.4Å; W491-D555 VanDerWaalsContact CZ2-OD2 3.3Å; W491-D555 WeakPolarHBondContact CZ2-OD2 3.31Å; W491-D555 PolarHBondContact NE1-OD1 2.74Å; D555-D557 PolarHBondContact O-N 3.1Å; D555-G558 PolarHBondContact O-N 2.82Å; D555-E559 PolarHBondContact N-O 3.43Å; D555-Q561 HydrophobicContact CB-CG 3.89Å; D555-Q561 PolarHBondContact OD2-NE2 3.42Å
556	T	88.2	Confident	89	Confident	85 Å²	85	43.3 Å²	43.3	52%	0.521	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-29.5	173.1	55.5	0	0	0	0	113.5	G489 G558	G489-T556 VanDerWaalsContact O-CG2 3.28Å; G489-T556 WeakPolarHBondContact O-CG2 3.48Å; T556-G558 VanDerWaalsContact C-N 3.35Å
557	D	87.1	Confident	89.3	Confident	146 Å²	146	46.8 Å²	46.8	78%	0.781	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-6.1	176.6	-62.7	-35.3	0	0	0	113.2	D555	D555-D557 PolarHBondContact O-N 3.1Å
558	G	83.4	Confident	89.5	Confident	44 Å²	44	46.5 Å²	46.5	45%	0.454	24%	0.243	S	C	.	.			trans	88.7	2.7	-179.5	0	0	0	0	0	115.7	D555 T556	D555-G558 PolarHBondContact O-N 2.82Å; T556-G558 VanDerWaalsContact C-N 3.35Å
559	E	89.3	Confident	89.1	Confident	119 Å²	119	47.3 Å²	47.3	56%	0.556	25%	0.247	S	C	*	.			trans	-72.3	143.6	178.6	-79.7	-64	144.4	0	0	113.5	R460 L554 D555 Q561	R460-E559 IonicContact NH1-OE2 2.65Å; L554-E559 VanDerWaalsContact CA-O 3.3Å; L554-E559 WeakPolarHBondContact CA-O 3.42Å; D555-E559 PolarHBondContact N-O 3.43Å; E559-Q561 PolarHBondContact O-N 2.83Å; E559-Q561 VanDerWaalsContact O-N 3.12Å
560	E	89	Confident	88.2	Confident	52 Å²	52	54.1 Å²	54.1	24%	0.243	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	101	180	-169.9	-173.4	109.7	0	0	111.1	R460 L552 L554 K563	R460-E560 WeakPolarHBondContact CD-O 3.11Å; L552-E560 HydrophobicContact CD2-CG 4.29Å; L552-E560 WeakPolarHBondContact CD2-OE2 3.09Å; L554-E560 HydrophobicContact CD2-CB 4.37Å; E560-K563 HydrophobicContact CG-CB 4.46Å; E560-K563 IonicContact OE1-NZ 2.77Å; E560-K563 IonicContact OE2-NZ 3.47Å; E560-K563 PolarHBondContact OE2-NZ 3.18Å
561	Q	89.7	Confident	87	Confident	43 Å²	43	57 Å²	57	20%	0.201	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	-36.1	177.6	-73.6	-71.6	10.1	0	0	112.6	R460 G461 W491 L553 D555 E559	R460-Q561 PolarHBondContact N-O 2.89Å; G461-Q561 PolarHBondContact N-O 2.71Å; W491-Q561 HydrophobicContact CH2-CB 4.01Å; W491-Q561 HydrophobicContact CH2-CG 3.69Å; W491-Q561 HydrophobicContact CZ2-CG 4.22Å; W491-Q561 HydrophobicContact CZ3-CB 3.92Å; W491-Q561 HydrophobicContact CZ3-CG 4.01Å; L553-Q561 PolarHBondContact O-N 3.41Å; D555-Q561 HydrophobicContact CB-CG 3.89Å; D555-Q561 PolarHBondContact OD2-NE2 3.42Å; E559-Q561 PolarHBondContact O-N 2.83Å; E559-Q561 VanDerWaalsContact O-N 3.12Å
562	A	91.1	Very high	85.4	Confident	1 Å²	1	67.4 Å²	67.4	1%	0.008	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	156.6	171.3	0	0	0	0	0	112.1	A459 F465 L553	A459-A562 HydrophobicContact CB-CB 4.06Å; F465-A562 HydrophobicContact CD2-CB 4Å; F465-A562 HydrophobicContact CE2-CB 3.84Å; L553-A562 HydrophobicContact CB-CB 4.18Å; L553-A562 PolarHBondContact N-O 2.82Å; L553-A562 PolarHBondContact O-N 2.71Å
563	K	92.1	Very high	83.7	Confident	65 Å²	65	71 Å²	71	28%	0.283	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	138.5	179.6	175	177.1	-131.6	126.2	0	110.2	S457 T458 I551 L552 E560	S457-K563 CarbonylContact C-O 3.6Å; S457-K563 VanDerWaalsContact CA-O 3.26Å; S457-K563 WeakPolarHBondContact CA-O 3.35Å; S457-K563 PolarHBondContact OG-O 3.48Å; S457-K563 VanDerWaalsContact OG-O 3.05Å; T458-K563 PolarHBondContact N-O 3.18Å; T458-K563 PolarHBondContact O-N 2.84Å; I551-K563 CarbonylContact O-C 3.59Å; I551-K563 VanDerWaalsContact O-CA 3.31Å; I551-K563 WeakPolarHBondContact O-CA 3.26Å; L552-K563 HydrophobicContact CD2-CB 3.96Å; L552-K563 HydrophobicContact CD2-CD 4Å; L552-K563 HydrophobicContact CD2-CG 3.71Å; E560-K563 HydrophobicContact CG-CB 4.46Å; E560-K563 IonicContact OE1-NZ 2.77Å; E560-K563 IonicContact OE2-NZ 3.47Å; E560-K563 PolarHBondContact OE2-NZ 3.18Å
564	C	91.2	Very high	81.5	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	137.8	171.8	175.3	0	0	0	0	109.5	F465 I551	F465-C564 HydrophobicContact CB-CB 3.83Å; F465-C564 HydrophobicContact CD1-CB 4.19Å; F465-C564 HydrophobicContact CD2-CB 3.49Å; F465-C564 VanDerWaalsContact CD2-CB 3.49Å; F465-C564 HydrophobicContact CE2-CB 4.07Å; F465-C564 HydrophobicContact CG-CB 3.56Å; I551-C564 HydrophobicContact CB-CB 4.33Å; I551-C564 PolarHBondContact N-O 2.86Å; I551-C564 PolarHBondContact O-N 3.42Å
565	T	90	Very high	79.4	Confident	29 Å²	29	79.1 Å²	79.1	18%	0.178	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	130.8	176.2	57	0	0	0	0	109.5	V455 S456 V549 T550	V455-T565 CarbonylContact C-O 3.57Å; V455-T565 WeakPolarHBondContact CA-O 3.35Å; S456-T565 PolarHBondContact N-O 2.82Å; S456-T565 PolarHBondContact O-N 2.82Å; S456-T565 PolarHBondContact O-OG1 2.74Å; V549-T565 CarbonylContact O-C 3.34Å; V549-T565 WeakPolarHBondContact O-CA 3.47Å; T550-T565 HydrophobicContact CG2-CG2 4.02Å
566	V	88.3	Confident	77	Confident	11 Å²	11	84.4 Å²	84.4	7%	0.067	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	107.9	-179.3	-173.3	0	0	0	0	108.2	Y453 R454 V455 V549	Y453-V566 HydrophobicContact CD1-CG1 4.12Å; R454-V566 WeakPolarHBondContact O-CA 3.33Å; V455-V566 HydrophobicContact CG1-CG2 4.46Å; V455-V566 HydrophobicContact CG2-CG1 4.36Å; V455-V566 HydrophobicContact CG2-CG2 4.27Å; V549-V566 HydrophobicContact CB-CB 4.32Å; V549-V566 PolarHBondContact N-O 3.43Å; V549-V566 PolarHBondContact O-N 3.36Å
567	K	85.2	Confident	74.7	Confident	79 Å²	79	89.6 Å²	89.6	34%	0.343	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	130.9	-179.4	-60	-166	-176.4	-130.6	0	111.2	Y453 R454 E548	Y453-K567 WeakPolarHBondContact CA-O 3.32Å; R454-K567 PolarHBondContact N-O 3.14Å; R454-K567 PolarHBondContact O-N 2.66Å; E548-K567 HydrophobicContact CG-CG 4.08Å; E548-K567 WeakPolarHBondContact OE1-CE 3.04Å; E548-K567 IonicContact OE1-NZ 2.72Å; E548-K567 PolarHBondContact OE1-NZ 2.78Å; E548-K567 VanDerWaalsContact OE2-CE 3.3Å; E548-K567 WeakPolarHBondContact OE2-CE 3.15Å; E548-K567 IonicContact OE2-NZ 3.16Å; E548-K567 PolarHBondContact OE2-NZ 2.87Å
568	R	84	Confident	72.6	Confident	72 Å²	72	89.8 Å²	89.8	27%	0.272	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	103.5	175.5	-179.9	166.2	58.2	-131.3	-1.1	110.8	F451 Y453 G546 T547	F451-R568 HydrophobicContact CB-CG 3.97Å; F451-R568 HydrophobicContact CD1-CG 3.56Å; F451-R568 HydrophobicContact CE1-CG 4.32Å; F451-R568 HydrophobicContact CG-CG 4.02Å; Y453-R568 HydrophobicContact CD1-CB 3.9Å; Y453-R568 HydrophobicContact CD1-CG 4.32Å; Y453-R568 HydrophobicContact CE1-CB 3.62Å; Y453-R568 HydrophobicContact CE1-CG 3.8Å; Y453-R568 WeakPolarHBondContact OH-CD 3.06Å; G546-R568 PolarHBondContact O-NH1 3.36Å; G546-R568 PolarHBondContact O-NH2 2.84Å; G546-R568 VanDerWaalsContact O-NH2 3.12Å; T547-R568 VanDerWaalsContact CG2-NH2 3.32Å; T547-R568 WeakPolarHBondContact O-CB 3.49Å; T547-R568 PolarHBondContact O-N 3.26Å
569	E	77.7	Confident	70.4	Confident	95 Å²	95	99 Å²	99	44%	0.444	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	134.2	178.2	-65.9	-177.1	-158.8	0	0	111	F451 A452 I571	F451-E569 CarbonylContact C-O 3.56Å; F451-E569 WeakPolarHBondContact CA-O 3.32Å; A452-E569 PolarHBondContact N-O 3.17Å; A452-E569 PolarHBondContact O-N 3.42Å; E569-I571 PolarHBondContact O-N 2.78Å
570	K	72.7	Confident	68.2	Low	162 Å²	162	102.8 Å²	102.8	70%	0.704	50%	0.499	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.5	120.4	170.3	-78.9	-179.6	178.3	176.6	0	108.9	F451 R572	F451-K570 HydrophobicContact CD1-CG 3.73Å; F451-K570 HydrophobicContact CE1-CD 4.23Å; F451-K570 HydrophobicContact CE1-CG 3.43Å; F451-K570 VanDerWaalsContact CE1-CG 3.43Å; F451-K570 HydrophobicContact CZ-CG 4.31Å; K570-R572 PolarHBondContact O-N 3.13Å
571	I	64.7	Low	66	Low	86 Å²	86	105.8 Å²	105.8	44%	0.441	53%	0.526	S	S	.	.			trans	-67.1	100.4	169.2	-62.5	161.5	0	0	0	106.7	R450 A452 E569	R450-I571 HydrophobicContact CB-CD1 3.99Å; R450-I571 WeakPolarHBondContact O-CB 3.44Å; R450-I571 PolarHBondContact O-N 2.9Å; A452-I571 HydrophobicContact CB-CD1 3.99Å; A452-I571 HydrophobicContact CB-CG1 3.75Å; E569-I571 PolarHBondContact O-N 2.78Å
572	R	59.6	Low	63.6	Low	225 Å²	225	107 Å²	107	85%	0.849	55%	0.551	S	S	*	*			trans	-60.7	127.5	168.2	-68.6	-178.2	176.4	129.5	-1.3	106.8	K570 G574	K570-R572 PolarHBondContact O-N 3.13Å; R572-G574 PolarHBondContact O-N 2.87Å
573	P	57.2	Low	61.3	Low	112 Å²	112	113.7 Å²	113.7	73%	0.727	59%	0.591	S	S	*	*			trans	-57.5	133	172.5	25.7	-33.1	0	0	0	108	V575	P573-V575 PolarHBondContact O-N 3.23Å
574	G	47.9	Very low	58.8	Low	76 Å²	76	122 Å²	122	78%	0.784	62%	0.62	S	S	*	*			trans	-58.9	108.4	-179.8	0	0	0	0	0	109.6	R572 N576	R572-G574 PolarHBondContact O-N 2.87Å; G574-N576 PolarHBondContact O-N 3.44Å; G574-N576 VanDerWaalsContact O-N 3.08Å
575	V	48.1	Very low	56.5	Low	122 Å²	122	126.1 Å²	126.1	74%	0.739	65%	0.654	S	S	*	*			trans	-69.1	108	175.3	178.9	0	0	0	0	106.7	P573 F577	P573-V575 PolarHBondContact O-N 3.23Å; V575-F577 PolarHBondContact O-N 3.46Å; V575-F577 VanDerWaalsContact O-N 3.09Å
576	N	40.1	Very low	54.1	Low	149 Å²	149	134 Å²	134	80%	0.797	69%	0.689	S	S	*	*			trans	-55.3	118.9	170.2	-89.5	-14	0	0	0	108.1	G574 D578	G574-N576 PolarHBondContact O-N 3.44Å; G574-N576 VanDerWaalsContact O-N 3.08Å; N576-D578 PolarHBondContact O-N 2.99Å
577	F	40.7	Very low	51.9	Low	193 Å²	193	140.9 Å²	140.9	85%	0.846	73%	0.725	S	S	*	*			trans	-73.7	77	179	-100.6	-93.6	0	0	0	110.1	V575 R579	V575-F577 PolarHBondContact O-N 3.46Å; V575-F577 VanDerWaalsContact O-N 3.09Å; F577-R579 PolarHBondContact O-N 2.94Å
578	D	41.8	Very low	49.8	Very low	150 Å²	150	144 Å²	144	80%	0.802	74%	0.741	S	S	*	*			trans	-64.7	102.4	166	-104.8	-28.7	0	0	0	108.8	N576 K580	N576-D578 PolarHBondContact O-N 2.99Å; D578-K580 VanDerWaalsContact C-N 3.31Å; D578-K580 PolarHBondContact O-N 2.75Å
579	R	39	Very low	47.7	Very low	238 Å²	238	148.7 Å²	148.7	90%	0.898	76%	0.764	S	S	*	*			trans	-70.4	78.2	-173	-67.1	178.8	173.5	-175.1	-2.9	111.7	F577	F577-R579 PolarHBondContact O-N 2.94Å
580	K	42.3	Very low	46	Very low	198 Å²	198	149.9 Å²	149.9	86%	0.861	78%	0.781	S	S	*	*			trans	-86.9	109.6	165	-73.2	-168.9	175.6	-179.1	0	110.5	D578 G582	D578-K580 VanDerWaalsContact C-N 3.31Å; D578-K580 PolarHBondContact O-N 2.75Å; K580-G582 VanDerWaalsContact C-N 3.35Å; K580-G582 PolarHBondContact O-N 3.32Å
581	S	42.9	Very low	44.5	Very low	116 Å²	116	151.6 Å²	151.6	81%	0.811	79%	0.791	S	S	*	*			trans	-70.1	82.5	178.4	52.4	0	0	0	0	111.7	V583	S581-V583 PolarHBondContact O-N 2.74Å
582	G	38.8	Very low	43.4	Very low	69 Å²	69	154.5 Å²	154.5	71%	0.711	81%	0.806	S	S	*	*			trans	-74.8	100.5	168.5	0	0	0	0	0	110.8	K580 R584	K580-G582 VanDerWaalsContact C-N 3.35Å; K580-G582 PolarHBondContact O-N 3.32Å; G582-R584 PolarHBondContact O-N 3.34Å; G582-R584 VanDerWaalsContact O-N 3.12Å
583	V	42.4	Very low	42.5	Very low	140 Å²	140	156.4 Å²	156.4	85%	0.848	83%	0.828	S	S	*	*			trans	-64.1	110.5	168.9	178.2	0	0	0	0	107.8	S581 A585	S581-V583 PolarHBondContact O-N 2.74Å; V583-A585 PolarHBondContact O-N 3.35Å
584	R	40.2	Very low	41.7	Very low	240 Å²	240	158.6 Å²	158.6	91%	0.906	83%	0.833	S	S	*	*			trans	-74	121.2	173.1	-78.7	-176.6	168.5	177.9	-4.8	109.1	G582	G582-R584 PolarHBondContact O-N 3.34Å; G582-R584 VanDerWaalsContact O-N 3.12Å
585	A	43.6	Very low	41.4	Very low	86 Å²	86	162.9 Å²	162.9	71%	0.711	84%	0.836	S	S	*	*			trans	-63.9	155	165.7	0	0	0	0	0	110.4	V583 D587	V583-A585 PolarHBondContact O-N 3.35Å; A585-D587 PolarHBondContact O-N 3.07Å
586	H	38.3	Very low	41.1	Very low	195 Å²	195	165.2 Å²	165.2	90%	0.903	84%	0.841	S	S	*	*			trans	-71.4	112.5	167.8	-115.4	-92.1	0	0	0	108.5
587	D	41.8	Very low	41.1	Very low	156 Å²	156	166.2 Å²	166.2	83%	0.834	84%	0.844	S	S	*	*			trans	-102.9	149	163.9	-99.6	-46.7	0	0	0	109.9	A585	A585-D587 PolarHBondContact O-N 3.07Å
588	E	41.5	Very low	41.1	Very low	145 Å²	145	164.5 Å²	164.5	68%	0.678	84%	0.844	S	S	*	*			trans	-94.9	169.9	-164.4	-55.6	-177	125.3	0	0	114.2
589	K	39.6	Very low	41.1	Very low	170 Å²	170	165.5 Å²	165.5	74%	0.739	85%	0.846	S	S	*	*			trans	60.9	93.9	153.1	-67.5	146.5	-175.4	160.1	0	117
590	C	42.2	Very low	41.2	Very low	119 Å²	119	160.3 Å²	160.3	80%	0.804	84%	0.843	S	S	*	*			trans	-132.5	80.5	147.8	-85.9	0	0	0	0	110.4	L592	C590-L592 HydrophobicContact CB-CD1 4.41Å
591	H	41.8	Very low	41.2	Very low	199 Å²	199	157.4 Å²	157.4	92%	0.921	84%	0.841	S	S	*	*			trans	-80.8	109.3	149.3	-92.8	-46.6	0	0	0	107
592	L	41.5	Very low	41	Very low	146 Å²	146	160.8 Å²	160.8	76%	0.764	84%	0.844	S	S	*	*			trans	-98.2	133.6	161.7	-100.5	78.7	0	0	0	108.4	C590	C590-L592 HydrophobicContact CB-CD1 4.41Å
593	M	40.6	Very low	41.2	Very low	265 Å²	265	169.2 Å²	169.2	100%	1.305	86%	0.856	S	S	*	*			trans	34.6	0	165.7	-64	-172.1	177.8	0	0	116.7

Retrieved 593 of 593 residues in 1220.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).