A0A5K4FB57_SCHMA Loading...

LTD domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FB57, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 739 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.6	Very low	38.6	Very low	235 Å²	235	160.5 Å²	160.5	100%	1.158	86%	0.864	S	S	*	*				0	160.1	0	-73	176.3	167.1	0	0	109.2
2	S	39.4	Very low	38.6	Very low	115 Å²	115	159.3 Å²	159.3	80%	0.804	87%	0.866	S	S	*	*			trans	46.2	121.4	155.2	53.1	0	0	0	0	121
3	N	34.9	Very low	38.9	Very low	159 Å²	159	157.7 Å²	157.7	85%	0.85	85%	0.852	S	S	*	*			trans	-59.5	148.4	164.8	-68.9	-59.9	0	0	0	113.8
4	T	42.2	Very low	39.1	Very low	133 Å²	133	154.9 Å²	154.9	82%	0.816	85%	0.846	S	S	*	*			trans	-145.5	96.9	138.8	38.7	0	0	0	0	111.8
5	K	38.7	Very low	39	Very low	210 Å²	210	158.3 Å²	158.3	91%	0.913	85%	0.849	S	S	*	*			trans	-83.6	122.6	157	-85.4	-178.4	175.1	175.9	0	108.3
6	T	42.7	Very low	38.6	Very low	125 Å²	125	163.5 Å²	163.5	77%	0.767	85%	0.853	S	S	*	*			trans	-129.8	82.4	168.8	56.6	0	0	0	0	111.3
7	G	35.5	Very low	38.8	Very low	84 Å²	84	160.6 Å²	160.6	87%	0.866	85%	0.847	S	S	*	*			trans	-70.1	137.5	166.5	0	0	0	0	0	110.6
8	K	39.3	Very low	39.2	Very low	210 Å²	210	159.1 Å²	159.1	91%	0.913	84%	0.844	S	S	*	*			trans	-137.6	73.7	179.8	-140.1	173.2	-168.1	173.9	0	111.4
9	A	34.8	Very low	40	Very low	103 Å²	103	156.7 Å²	156.7	85%	0.851	84%	0.839	S	S	*	*			trans	-69.5	134.9	170.7	0	0	0	0	0	110.5
10	R	39.6	Very low	39.8	Very low	231 Å²	231	159 Å²	159	87%	0.872	84%	0.844	S	S	*	*			trans	-158.3	133	164.6	-123.4	178.9	-175.7	-169.1	1.1	114.2
11	K	40	Very low	39.8	Very low	160 Å²	160	155.1 Å²	155.1	70%	0.696	84%	0.842	S	S	*	*			trans	50.5	90.5	158.5	-72.7	-171	169.6	-168	0	118.1	M13	K11-M13 HydrophobicContact CB-CG 4.38Å; K11-M13 HydrophobicContact CD-CG 4.34Å; K11-M13 HydrophobicContact CD-SD 4.18Å
12	V	38.4	Very low	39.8	Very low	146 Å²	146	153.5 Å²	153.5	89%	0.885	83%	0.832	S	S	*	*				-61.3	143.4	127.4	177.1	0	0	0	0	108.2
13	M	43	Very low	39.7	Very low	139 Å²	139	153.3 Å²	153.3	69%	0.685	83%	0.831	S	S	*	*			trans	-125.8	151	164	-75.1	-163.2	70	0	0	110	K11	K11-M13 HydrophobicContact CB-CG 4.38Å; K11-M13 HydrophobicContact CD-CG 4.34Å; K11-M13 HydrophobicContact CD-SD 4.18Å
14	P	41	Very low	39.8	Very low	118 Å²	118	151 Å²	151	77%	0.766	83%	0.827	S	S	*	*			trans	-87.8	162.6	-161.5	34.8	-37.2	0	0	0	114.3
15	K	37.7	Very low	39.5	Very low	206 Å²	206	153.1 Å²	153.1	90%	0.896	83%	0.828	S	S	*	*			trans	-67.4	152.7	165.8	-63.3	-179.4	177.1	-178	0	110.9
16	R	32.9	Very low	39.4	Very low	242 Å²	242	148.5 Å²	148.5	91%	0.913	82%	0.821	S	S	*	*			trans	-126.1	163.4	160.1	-113.1	-155.6	165.7	-169.2	-4.4	110.1
17	P	42.6	Very low	39.5	Very low	115 Å²	115	148.4 Å²	148.4	75%	0.747	83%	0.826	S	S	*	*			trans	-92.3	-178.5	-157.2	38.1	-39.7	0	0	0	115.6
18	V	45.5	Very low	39.4	Very low	132 Å²	132	153.7 Å²	153.7	80%	0.8	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-70.8	148.6	177.4	-162.3	0	0	0	0	111.7
19	P	54	Low	39.2	Very low	115 Å²	115	153.1 Å²	153.1	75%	0.747	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-94.9	145.6	160.8	36	-30.7	0	0	0	112.2
20	E	36.9	Very low	39.1	Very low	202 Å²	202	154.5 Å²	154.5	94%	0.944	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-91.8	165.2	174.6	-65.5	171.9	152.3	0	0	111.5
21	G	40.1	Very low	39	Very low	78 Å²	78	152.8 Å²	152.8	80%	0.804	83%	0.826	S	S	*	*			trans	-166.7	147.4	177.4	0	0	0	0	0	112.5
22	E	36.2	Very low	38.9	Very low	201 Å²	201	150.2 Å²	150.2	94%	0.939	83%	0.828	S	S	*	*			trans	-118.6	159.3	-166.5	-56.7	175.9	125.3	0	0	112.7
23	S	37.1	Very low	38.9	Very low	111 Å²	111	149.1 Å²	149.1	78%	0.776	82%	0.824	S	S	*	*			trans	-164	126.9	176.1	60.8	0	0	0	0	115.7
24	S	37.6	Very low	38.4	Very low	110 Å²	110	153.9 Å²	153.9	77%	0.769	83%	0.834	S	S	*	*			trans	43.3	156.4	139.3	-71.2	0	0	0	0	123.6
25	E	35.8	Very low	38.1	Very low	178 Å²	178	152.4 Å²	152.4	83%	0.832	83%	0.827	S	S	*	*			cis	-179.4	176	-15.5	-166.1	150.9	-168.4	0	0	109.9
26	S	37.1	Very low	38	Very low	112 Å²	112	147 Å²	147	78%	0.783	82%	0.815	S	S	*	*			trans	-151.9	170.7	-173	63.2	0	0	0	0	116.8
27	S	43.5	Very low	38.3	Very low	124 Å²	124	140.4 Å²	140.4	87%	0.867	81%	0.806	S	S	*	*			trans	-162.2	152.3	-175.6	-52.9	0	0	0	0	116.8
28	E	33.7	Very low	38.2	Very low	195 Å²	195	143.3 Å²	143.3	91%	0.911	81%	0.807	S	S	*	*			trans	-155.8	161.1	175.1	-69.3	-169.1	122	0	0	113.5
29	E	35.5	Very low	38	Very low	197 Å²	197	143.3 Å²	143.3	92%	0.921	80%	0.803	S	S	*	*			trans	170.8	179	146.2	-99.2	-170.9	170.3	0	0	116.9
30	T	32.5	Very low	37.3	Very low	132 Å²	132	143.5 Å²	143.5	81%	0.81	81%	0.806	S	S	*	*			trans	-150.9	151.3	-162.2	74.5	0	0	0	0	122.3
31	K	38.1	Very low	37.3	Very low	195 Å²	195	139.7 Å²	139.7	85%	0.848	79%	0.792	S	S	*	*			trans	62.8	117.8	144.9	-77.9	-175.5	176.8	175.3	0	128.8
32	S	36.7	Very low	37.2	Very low	107 Å²	107	140 Å²	140	75%	0.748	78%	0.778	S	S	*	*				85.4	-164	122.5	-43.3	0	0	0	0	124.1
33	P	39	Very low	37.7	Very low	123 Å²	123	138.4 Å²	138.4	80%	0.799	77%	0.774	S	S	*	*				-138.3	-177.1	-122.4	42.9	-20.6	0	0	0	119.5
34	R	33.7	Very low	38.4	Very low	239 Å²	239	136.1 Å²	136.1	90%	0.902	76%	0.758	S	S	*	*			trans	-155.8	-146.3	153.8	-130.6	-167.3	167.7	92.8	3.2	121.4
35	S	34.6	Very low	38.7	Very low	86 Å²	86	138.1 Å²	138.1	60%	0.601	75%	0.749	S	S	*	*			trans	-158.6	-167.4	-148.8	69.1	0	0	0	0	113.2
36	S	35.1	Very low	39.9	Very low	92 Å²	92	135.7 Å²	135.7	64%	0.643	74%	0.741	S	S	*	*			cis	-179.8	156.3	7.6	29.1	0	0	0	0	114.1
37	S	38.5	Very low	40.5	Very low	105 Å²	105	137.4 Å²	137.4	73%	0.734	74%	0.736	S	S	*	*			trans	69.4	156.6	149.2	-59.1	0	0	0	0	121.4
38	F	41.8	Very low	41.1	Very low	176 Å²	176	135.3 Å²	135.3	77%	0.772	71%	0.713	S	S	*	*			cis	-162.9	149.9	-24.8	-115.4	-61.7	0	0	0	110.3
39	D	40.9	Very low	42.3	Very low	132 Å²	132	132.7 Å²	132.7	71%	0.706	70%	0.699	S	S	*	*			trans	54	141.7	158	-57.5	-33.5	0	0	0	124.7
40	S	37.8	Very low	43.5	Very low	118 Å²	118	131 Å²	131	83%	0.825	69%	0.691	S	S	*	*			trans	54.9	105.6	174.2	-66.4	0	0	0	0	117.6
41	L	38	Very low	44.8	Very low	123 Å²	123	131.5 Å²	131.5	64%	0.644	68%	0.684	S	S	*	*			cis	69.3	98.9	5.6	-82.9	160.7	0	0	0	118.6
42	V	38.5	Very low	45.9	Very low	84 Å²	84	125.3 Å²	125.3	51%	0.509	66%	0.66	S	S	.	*			trans	71.1	84.1	151.2	-154.9	0	0	0	0	119	S44 R45	V42-S44 WeakPolarHBondContact CA-O 3.33Å; V42-S44 WeakPolarHBondContact CA-OG 3.48Å; V42-S44 PolarHBondContact N-OG 3.11Å; V42-R45 HydrophobicContact CG1-CB 4.46Å; V42-R45 HydrophobicContact CG2-CG 4.07Å
43	I	45.6	Very low	47.3	Very low	168 Å²	168	126.3 Å²	126.3	86%	0.862	65%	0.653	S	S	*	*	S	Bend		-116.9	-52.1	119	-58.6	-178.4	0	0	0	112.2	R45	I43-R45 PolarHBondContact O-N 3.31Å
44	S	51.9	Low	48.7	Very low	62 Å²	62	127.4 Å²	127.4	43%	0.434	65%	0.647	S	S	.	*				45.2	52.9	79.2	111.9	0	0	0	0	117.6	V42	V42-S44 WeakPolarHBondContact CA-O 3.33Å; V42-S44 WeakPolarHBondContact CA-OG 3.48Å; V42-S44 PolarHBondContact N-OG 3.11Å
45	R	43.6	Very low	50.3	Low	153 Å²	153	119.2 Å²	119.2	58%	0.577	62%	0.62	S	S	*	*	S	Bend	trans	-153.2	3.4	156	-103.7	-89.2	168.5	77.4	3.1	117.1	V42 I43 E48	V42-R45 HydrophobicContact CG1-CB 4.46Å; V42-R45 HydrophobicContact CG2-CG 4.07Å; I43-R45 PolarHBondContact O-N 3.31Å; R45-E48 WeakPolarHBondContact CA-OE2 3.39Å; R45-E48 WeakPolarHBondContact CD-OE2 3.37Å; R45-E48 IonicContact NE-OE2 3.73Å
46	L	61.2	Low	52.1	Low	127 Å²	127	119.1 Å²	119.1	67%	0.665	61%	0.613	S	S	*	*	S	Bend	trans	-145.5	-21.7	-178.2	-133.8	151	0	0	0	116.4	E48 K49 E50	L46-E48 PolarHBondContact O-N 3.05Å; L46-K49 HydrophobicContact CD2-CB 3.99Å; L46-K49 HydrophobicContact CD2-CD 4.48Å; L46-K49 HydrophobicContact CG-CB 4.1Å; L46-K49 WeakPolarHBondContact O-CA 3.36Å; L46-K49 WeakPolarHBondContact O-CB 3.29Å; L46-K49 PolarHBondContact O-N 2.97Å; L46-E50 PolarHBondContact O-N 3.46Å
47	E	50.4	Low	53.9	Low	147 Å²	147	119 Å²	119	69%	0.687	61%	0.605	S	S	*	*	H	α-helix	trans	-55.2	-39.5	150.3	-68.5	160.9	126.1	0	0	109	K49 E50 E51	E47-K49 PolarHBondContact O-N 3.13Å; E47-E50 PolarHBondContact O-N 3.03Å; E47-E51 WeakPolarHBondContact O-CB 3.41Å; E47-E51 PolarHBondContact O-N 3.16Å
48	E	55.4	Low	55.4	Low	81 Å²	81	121.9 Å²	121.9	38%	0.379	60%	0.6	S	S	.	*	H	α-helix	trans	-46.2	-25	164.6	-166.2	-171.5	173	0	0	113.2	R45 L46 L52	R45-E48 WeakPolarHBondContact CA-OE2 3.39Å; R45-E48 WeakPolarHBondContact CD-OE2 3.37Å; R45-E48 IonicContact NE-OE2 3.73Å; L46-E48 PolarHBondContact O-N 3.05Å; E48-L52 HydrophobicContact CG-CD1 3.96Å; E48-L52 HydrophobicContact CG-CG 4.41Å; E48-L52 WeakPolarHBondContact O-CA 3.43Å; E48-L52 WeakPolarHBondContact O-CB 3.44Å; E48-L52 WeakPolarHBondContact O-CD1 3.42Å; E48-L52 WeakPolarHBondContact O-CG 3.27Å; E48-L52 PolarHBondContact O-N 3.47Å
49	K	58.4	Low	56.6	Low	139 Å²	139	117.9 Å²	117.9	60%	0.604	58%	0.583	S	S	*	*	H	α-helix	trans	-96.5	-31.8	-178	-155.7	-175.8	179.6	-170.3	0	114.3	L46 E47 Q53	L46-K49 HydrophobicContact CD2-CB 3.99Å; L46-K49 HydrophobicContact CD2-CD 4.48Å; L46-K49 HydrophobicContact CG-CB 4.1Å; L46-K49 WeakPolarHBondContact O-CA 3.36Å; L46-K49 WeakPolarHBondContact O-CB 3.29Å; L46-K49 PolarHBondContact O-N 2.97Å; E47-K49 PolarHBondContact O-N 3.13Å; K49-Q53 WeakPolarHBondContact O-CB 3.19Å; K49-Q53 PolarHBondContact O-N 3.36Å
50	E	61	Low	57.8	Low	163 Å²	163	113.9 Å²	113.9	76%	0.762	57%	0.568	S	S	*	*	H	α-helix	trans	-69.9	-42.5	167.4	-173.6	167.4	-174.9	0	0	109.6	L46 E47 Q53 H54	L46-E50 PolarHBondContact O-N 3.46Å; E47-E50 PolarHBondContact O-N 3.03Å; E50-Q53 PolarHBondContact O-N 3.37Å; E50-H54 PolarHBondContact O-N 2.75Å
51	E	60.9	Low	59.3	Low	142 Å²	142	113.6 Å²	113.6	66%	0.664	56%	0.557	S	S	*	*	H	α-helix	trans	-58.9	-53.4	165.9	-70.2	-160.9	139.5	0	0	111.1	E47 Q53 H54 L55	E47-E51 WeakPolarHBondContact O-CB 3.41Å; E47-E51 PolarHBondContact O-N 3.16Å; E51-Q53 VanDerWaalsContact C-N 3.28Å; E51-Q53 PolarHBondContact O-N 3.06Å; E51-H54 PolarHBondContact O-N 2.7Å; E51-L55 WeakPolarHBondContact O-CA 3.3Å; E51-L55 WeakPolarHBondContact O-CB 3.49Å; E51-L55 PolarHBondContact O-N 3.1Å
52	L	60.9	Low	60.8	Low	64 Å²	64	114.1 Å²	114.1	34%	0.335	55%	0.552	S	S	.	*	H	α-helix	trans	-64.4	-24.2	179.5	-81.7	169.8	0	0	0	113.9	E48 N56	E48-L52 HydrophobicContact CG-CD1 3.96Å; E48-L52 HydrophobicContact CG-CG 4.41Å; E48-L52 WeakPolarHBondContact O-CA 3.43Å; E48-L52 WeakPolarHBondContact O-CB 3.44Å; E48-L52 WeakPolarHBondContact O-CD1 3.42Å; E48-L52 WeakPolarHBondContact O-CG 3.27Å; E48-L52 PolarHBondContact O-N 3.47Å; L52-N56 WeakPolarHBondContact O-CA 3.5Å; L52-N56 WeakPolarHBondContact O-CB 3.48Å; L52-N56 PolarHBondContact O-N 2.69Å; L52-N56 PolarHBondContact O-ND2 3.19Å
53	Q	66.1	Low	61.9	Low	129 Å²	129	114.3 Å²	114.3	60%	0.603	55%	0.549	S	S	*	.	H	α-helix	trans	-76.6	-51.1	172.6	-175.9	162.6	-2.7	0	0	110.6	K49 E50 E51 L55 N56 D57	K49-Q53 WeakPolarHBondContact O-CB 3.19Å; K49-Q53 PolarHBondContact O-N 3.36Å; E50-Q53 PolarHBondContact O-N 3.37Å; E51-Q53 VanDerWaalsContact C-N 3.28Å; E51-Q53 PolarHBondContact O-N 3.06Å; Q53-L55 PolarHBondContact O-N 3.01Å; Q53-N56 PolarHBondContact O-N 3.08Å; Q53-N56 VanDerWaalsContact O-N 3.17Å; Q53-D57 PolarHBondContact O-N 2.99Å
54	H	69.1	Low	62.7	Low	146 Å²	146	111 Å²	111	68%	0.676	53%	0.529	S	S	*	.	H	α-helix	trans	-64.4	-29.2	177.6	-167.4	-94.8	0	0	0	111.9	E50 E51 R58	E50-H54 PolarHBondContact O-N 2.75Å; E51-H54 PolarHBondContact O-N 2.7Å; H54-R58 WeakPolarHBondContact O-CB 3.43Å; H54-R58 PolarHBondContact O-N 3.48Å
55	L	66.5	Low	63.2	Low	66 Å²	66	112.9 Å²	112.9	35%	0.346	53%	0.531	S	S	.	.	H	α-helix	trans	-80.7	-33.5	173.9	-168.4	71.5	0	0	0	112.2	E51 Q53 R58 F59	E51-L55 WeakPolarHBondContact O-CA 3.3Å; E51-L55 WeakPolarHBondContact O-CB 3.49Å; E51-L55 PolarHBondContact O-N 3.1Å; Q53-L55 PolarHBondContact O-N 3.01Å; L55-R58 CarbonylContact O-C 3.52Å; L55-F59 HydrophobicContact CD1-CE2 4.44Å; L55-F59 HydrophobicContact CD1-CZ 4.24Å; L55-F59 HydrophobicContact CD2-CE2 3.77Å; L55-F59 HydrophobicContact CD2-CZ 4Å; L55-F59 HydrophobicContact CG-CD2 4.06Å; L55-F59 HydrophobicContact CG-CE2 3.61Å; L55-F59 HydrophobicContact CG-CZ 3.88Å; L55-F59 WeakPolarHBondContact O-CA 3.42Å; L55-F59 VanDerWaalsContact O-CB 3.26Å; L55-F59 WeakPolarHBondContact O-CB 3.5Å; L55-F59 WeakPolarHBondContact O-CD2 3.3Å; L55-F59 WeakPolarHBondContact O-CG 3.46Å; L55-F59 PolarHBondContact O-N 2.82Å
56	N	72	Confident	64	Low	85 Å²	85	108.5 Å²	108.5	46%	0.455	52%	0.519	S	S	.	.	H	α-helix	trans	-75.3	-34.2	173.5	-80.4	-44	0	0	0	112.7	L52 Q53 F59 A60	L52-N56 WeakPolarHBondContact O-CA 3.5Å; L52-N56 WeakPolarHBondContact O-CB 3.48Å; L52-N56 PolarHBondContact O-N 2.69Å; L52-N56 PolarHBondContact O-ND2 3.19Å; Q53-N56 PolarHBondContact O-N 3.08Å; Q53-N56 VanDerWaalsContact O-N 3.17Å; N56-F59 CarbonylContact O-C 3.38Å; N56-F59 WeakPolarHBondContact O-CB 3.35Å; N56-F59 PolarHBondContact O-N 2.96Å; N56-A60 WeakPolarHBondContact O-CB 3.18Å; N56-A60 PolarHBondContact O-N 3.03Å
57	D	72.8	Confident	63.8	Low	89 Å²	89	108.3 Å²	108.3	48%	0.476	51%	0.514	S	S	.	.	H	α-helix	trans	-77.6	-31.1	172.6	-71.1	-31	0	0	0	110.7	Q53 F59 A60 N61	Q53-D57 PolarHBondContact O-N 2.99Å; D57-F59 VanDerWaalsContact C-N 3.33Å; D57-A60 PolarHBondContact O-N 2.68Å; D57-N61 WeakPolarHBondContact O-CB 3.09Å; D57-N61 PolarHBondContact O-N 2.98Å
58	R	71.2	Confident	64.4	Low	165 Å²	165	107.2 Å²	107.2	62%	0.623	51%	0.507	S	S	*	.	H	α-helix	trans	-66.3	-33.3	163.2	-172.5	179.3	-169.6	-174.2	4.5	111.7	H54 L55 Y62	H54-R58 WeakPolarHBondContact O-CB 3.43Å; H54-R58 PolarHBondContact O-N 3.48Å; L55-R58 CarbonylContact O-C 3.52Å; R58-Y62 WeakPolarHBondContact O-CB 3.27Å; R58-Y62 PolarHBondContact O-N 3.03Å
59	F	67	Low	64.5	Low	93 Å²	93	108 Å²	108	41%	0.408	51%	0.514	S	S	.	.	H	α-helix	trans	-72.9	-30.1	169.7	-73.2	-42.7	0	0	0	111.3	L55 N56 D57 Y62 I63	L55-F59 HydrophobicContact CD1-CE2 4.44Å; L55-F59 HydrophobicContact CD1-CZ 4.24Å; L55-F59 HydrophobicContact CD2-CE2 3.77Å; L55-F59 HydrophobicContact CD2-CZ 4Å; L55-F59 HydrophobicContact CG-CD2 4.06Å; L55-F59 HydrophobicContact CG-CE2 3.61Å; L55-F59 HydrophobicContact CG-CZ 3.88Å; L55-F59 WeakPolarHBondContact O-CA 3.42Å; L55-F59 VanDerWaalsContact O-CB 3.26Å; L55-F59 WeakPolarHBondContact O-CB 3.5Å; L55-F59 WeakPolarHBondContact O-CD2 3.3Å; L55-F59 WeakPolarHBondContact O-CG 3.46Å; L55-F59 PolarHBondContact O-N 2.82Å; N56-F59 CarbonylContact O-C 3.38Å; N56-F59 WeakPolarHBondContact O-CB 3.35Å; N56-F59 PolarHBondContact O-N 2.96Å; D57-F59 VanDerWaalsContact C-N 3.33Å; F59-Y62 CarbonylContact O-C 3.49Å; F59-Y62 PolarHBondContact O-N 3.34Å; F59-I63 WeakPolarHBondContact O-CA 3.43Å; F59-I63 WeakPolarHBondContact O-CB 3.33Å; F59-I63 WeakPolarHBondContact O-CD1 3.25Å; F59-I63 WeakPolarHBondContact O-CG1 3.41Å; F59-I63 PolarHBondContact O-N 2.85Å
60	A	65.1	Low	64.3	Low	48 Å²	48	107.4 Å²	107.4	40%	0.397	52%	0.516	S	S	.	.	H	α-helix	trans	-67.8	-46.1	173.7	0	0	0	0	0	109.9	N56 D57 Y62 I63 E64	N56-A60 WeakPolarHBondContact O-CB 3.18Å; N56-A60 PolarHBondContact O-N 3.03Å; D57-A60 PolarHBondContact O-N 2.68Å; A60-Y62 VanDerWaalsContact C-N 3.32Å; A60-Y62 PolarHBondContact O-N 3.39Å; A60-I63 CarbonylContact O-C 3.6Å; A60-I63 PolarHBondContact O-N 3.29Å; A60-E64 PolarHBondContact O-N 3.29Å
61	N	69.6	Low	63.9	Low	112 Å²	112	107.5 Å²	107.5	60%	0.599	51%	0.514	S	S	*	.	H	α-helix	trans	-66.4	-30.5	170.9	-75.5	-11.5	0	0	0	112.6	D57 H65	D57-N61 WeakPolarHBondContact O-CB 3.09Å; D57-N61 PolarHBondContact O-N 2.98Å; N61-H65 VanDerWaalsContact O-CB 3.29Å; N61-H65 WeakPolarHBondContact O-CB 3.46Å; N61-H65 PolarHBondContact O-N 3.2Å
62	Y	68.6	Low	63.3	Low	134 Å²	134	104.4 Å²	104.4	53%	0.525	50%	0.503	S	S	.	.	H	α-helix	trans	-79.7	-27.1	174.4	-162.8	-106	0	0	0	112.1	R58 F59 A60 H65 L66	R58-Y62 WeakPolarHBondContact O-CB 3.27Å; R58-Y62 PolarHBondContact O-N 3.03Å; F59-Y62 CarbonylContact O-C 3.49Å; F59-Y62 PolarHBondContact O-N 3.34Å; A60-Y62 VanDerWaalsContact C-N 3.32Å; A60-Y62 PolarHBondContact O-N 3.39Å; Y62-H65 HydrophobicContact CD2-CB 4.44Å; Y62-H65 CarbonylContact O-C 3.45Å; Y62-H65 PolarHBondContact O-N 3.07Å; Y62-L66 HydrophobicContact CD1-CD1 3.61Å; Y62-L66 HydrophobicContact CD1-CG 3.99Å; Y62-L66 HydrophobicContact CE1-CD1 3.79Å; Y62-L66 HydrophobicContact CE1-CD2 4.14Å; Y62-L66 HydrophobicContact CE1-CG 4Å; Y62-L66 VanDerWaalsContact O-CB 3.31Å; Y62-L66 WeakPolarHBondContact O-CB 3.26Å; Y62-L66 WeakPolarHBondContact O-CD1 3.3Å; Y62-L66 WeakPolarHBondContact O-CG 3.43Å; Y62-L66 PolarHBondContact O-N 2.66Å
63	I	63.3	Low	63	Low	87 Å²	87	109.5 Å²	109.5	45%	0.446	52%	0.522	S	S	.	.	H	α-helix	trans	-72.9	-37.2	168.9	-74.1	160.3	0	0	0	109.1	F59 A60 L66 H67	F59-I63 WeakPolarHBondContact O-CA 3.43Å; F59-I63 WeakPolarHBondContact O-CB 3.33Å; F59-I63 WeakPolarHBondContact O-CD1 3.25Å; F59-I63 WeakPolarHBondContact O-CG1 3.41Å; F59-I63 PolarHBondContact O-N 2.85Å; A60-I63 CarbonylContact O-C 3.6Å; A60-I63 PolarHBondContact O-N 3.29Å; I63-L66 PolarHBondContact O-N 3.31Å; I63-H67 VanDerWaalsContact O-CB 3.29Å; I63-H67 WeakPolarHBondContact O-CB 3.27Å; I63-H67 VanDerWaalsContact O-CG 3.26Å; I63-H67 PolarHBondContact O-N 3.14Å; I63-H67 PolarHBondContact O-ND1 3.43Å
64	E	61.6	Low	62.5	Low	98 Å²	98	110.6 Å²	110.6	46%	0.458	53%	0.527	S	S	.	.	H	α-helix	trans	-60.5	-47.8	164.6	-156.5	-160.5	158.3	0	0	109.6	A60 L66 H67 K68	A60-E64 PolarHBondContact O-N 3.29Å; E64-L66 VanDerWaalsContact C-N 3.3Å; E64-L66 PolarHBondContact O-N 2.8Å; E64-H67 CarbonylContact O-C 3.49Å; E64-H67 PolarHBondContact O-N 2.94Å; E64-K68 WeakPolarHBondContact O-CB 3.29Å; E64-K68 PolarHBondContact O-N 3.08Å; E64-K68 IonicContact OE1-NZ 3.17Å; E64-K68 PolarHBondContact OE1-NZ 2.89Å
65	H	63.4	Low	61.6	Low	103 Å²	103	111.7 Å²	111.7	48%	0.477	53%	0.53	S	S	.	.	H	α-helix	trans	-64.3	-28.6	178.8	-153.4	-43	0	0	0	113.5	N61 Y62 N69	N61-H65 VanDerWaalsContact O-CB 3.29Å; N61-H65 WeakPolarHBondContact O-CB 3.46Å; N61-H65 PolarHBondContact O-N 3.2Å; Y62-H65 HydrophobicContact CD2-CB 4.44Å; Y62-H65 CarbonylContact O-C 3.45Å; Y62-H65 PolarHBondContact O-N 3.07Å; H65-N69 PolarHBondContact CE1-ND2 2.96Å; H65-N69 VanDerWaalsContact O-CB 3.27Å; H65-N69 WeakPolarHBondContact O-CB 3.38Å; H65-N69 PolarHBondContact O-N 3.38Å
66	L	59.9	Low	61	Low	61 Å²	61	111.6 Å²	111.6	32%	0.319	54%	0.535	S	S	.	.	H	α-helix	trans	-79.2	-42.2	173.3	-71.6	163.3	0	0	0	110.7	Y62 I63 E64 K68 I70 F71	Y62-L66 HydrophobicContact CD1-CD1 3.61Å; Y62-L66 HydrophobicContact CD1-CG 3.99Å; Y62-L66 HydrophobicContact CE1-CD1 3.79Å; Y62-L66 HydrophobicContact CE1-CD2 4.14Å; Y62-L66 HydrophobicContact CE1-CG 4Å; Y62-L66 VanDerWaalsContact O-CB 3.31Å; Y62-L66 WeakPolarHBondContact O-CB 3.26Å; Y62-L66 WeakPolarHBondContact O-CD1 3.3Å; Y62-L66 WeakPolarHBondContact O-CG 3.43Å; Y62-L66 PolarHBondContact O-N 2.66Å; I63-L66 PolarHBondContact O-N 3.31Å; E64-L66 VanDerWaalsContact C-N 3.3Å; E64-L66 PolarHBondContact O-N 2.8Å; L66-K68 PolarHBondContact O-N 2.84Å; L66-I70 HydrophobicContact CD2-CD1 3.42Å; L66-I70 VanDerWaalsContact CD2-CD1 3.42Å; L66-I70 HydrophobicContact CD2-CG1 3.92Å; L66-I70 WeakPolarHBondContact O-CA 3.41Å; L66-I70 VanDerWaalsContact O-CB 3.31Å; L66-I70 WeakPolarHBondContact O-CB 3.47Å; L66-I70 PolarHBondContact O-N 2.82Å; L66-F71 PolarHBondContact O-N 3.35Å; L66-F71 VanDerWaalsContact O-N 3.14Å
67	H	57.3	Low	60.4	Low	122 Å²	122	108.7 Å²	108.7	57%	0.565	53%	0.525	S	S	*	.	H	α-helix	trans	-66.4	-17.1	170.5	-69.7	147.6	0	0	0	113.2	I63 E64 F71	I63-H67 VanDerWaalsContact O-CB 3.29Å; I63-H67 WeakPolarHBondContact O-CB 3.27Å; I63-H67 VanDerWaalsContact O-CG 3.26Å; I63-H67 PolarHBondContact O-N 3.14Å; I63-H67 PolarHBondContact O-ND1 3.43Å; E64-H67 CarbonylContact O-C 3.49Å; E64-H67 PolarHBondContact O-N 2.94Å; H67-F71 VanDerWaalsContact O-CB 3.24Å; H67-F71 WeakPolarHBondContact O-CB 3.42Å
68	K	62.8	Low	59.7	Low	124 Å²	124	110.9 Å²	110.9	54%	0.539	53%	0.532	S	S	.	.	H	α-helix	trans	-103.2	-30.3	-179.4	-150.3	169.7	-153.8	161.5	0	113	E64 L66 N72	E64-K68 WeakPolarHBondContact O-CB 3.29Å; E64-K68 PolarHBondContact O-N 3.08Å; E64-K68 IonicContact OE1-NZ 3.17Å; E64-K68 PolarHBondContact OE1-NZ 2.89Å; L66-K68 PolarHBondContact O-N 2.84Å; K68-N72 VanDerWaalsContact O-CB 3.28Å; K68-N72 WeakPolarHBondContact O-CB 3.39Å; K68-N72 VanDerWaalsContact O-CG 3.23Å; K68-N72 PolarHBondContact O-ND2 3.28Å
69	N	58	Low	59.2	Low	97 Å²	97	108.3 Å²	108.3	52%	0.519	53%	0.53	S	S	.	.	H	α-helix	trans	-109	-26	177.1	-78.3	28.9	0	0	0	116.2	H65 N72	H65-N69 PolarHBondContact CE1-ND2 2.96Å; H65-N69 VanDerWaalsContact O-CB 3.27Å; H65-N69 WeakPolarHBondContact O-CB 3.38Å; H65-N69 PolarHBondContact O-N 3.38Å; N69-N72 WeakPolarHBondContact O-CB 3.23Å
70	I	54	Low	59.2	Low	128 Å²	128	107.5 Å²	107.5	66%	0.656	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-40.8	170.9	-64.1	-168.4	0	0	0	110.7	L66 N72	L66-I70 HydrophobicContact CD2-CD1 3.42Å; L66-I70 VanDerWaalsContact CD2-CD1 3.42Å; L66-I70 HydrophobicContact CD2-CG1 3.92Å; L66-I70 WeakPolarHBondContact O-CA 3.41Å; L66-I70 VanDerWaalsContact O-CB 3.31Å; L66-I70 WeakPolarHBondContact O-CB 3.47Å; L66-I70 PolarHBondContact O-N 2.82Å; I70-N72 PolarHBondContact O-N 3.16Å
71	F	51.8	Low	59.5	Low	164 Å²	164	110.8 Å²	110.8	72%	0.719	54%	0.54	S	S	*	.	S	Bend	trans	-80.6	23.5	165.6	-88.1	-84.6	0	0	0	113	L66 H67 K73	L66-F71 PolarHBondContact O-N 3.35Å; L66-F71 VanDerWaalsContact O-N 3.14Å; H67-F71 VanDerWaalsContact O-CB 3.24Å; H67-F71 WeakPolarHBondContact O-CB 3.42Å; F71-K73 PolarHBondContact O-N 2.71Å
72	N	48.4	Very low	59.4	Low	78 Å²	78	111.7 Å²	111.7	42%	0.417	54%	0.544	S	S	.	.			trans	-71.7	129.4	175.4	-147.5	-11.2	0	0	0	110.2	K68 N69 I70 E74	K68-N72 VanDerWaalsContact O-CB 3.28Å; K68-N72 WeakPolarHBondContact O-CB 3.39Å; K68-N72 VanDerWaalsContact O-CG 3.23Å; K68-N72 PolarHBondContact O-ND2 3.28Å; N69-N72 WeakPolarHBondContact O-CB 3.23Å; I70-N72 PolarHBondContact O-N 3.16Å; N72-E74 PolarHBondContact O-N 2.76Å
73	K	55.4	Low	59.7	Low	171 Å²	171	109.2 Å²	109.2	74%	0.743	54%	0.543	S	S	*	.	H	α-helix	trans	-75	-6.1	-155.8	-149.4	169.5	-175.8	176.2	0	114.5	F71 G77	F71-K73 PolarHBondContact O-N 2.71Å; K73-G77 WeakPolarHBondContact O-CA 3.23Å; K73-G77 PolarHBondContact O-N 2.84Å
74	E	55.7	Low	60.1	Low	152 Å²	152	108.8 Å²	108.8	71%	0.71	54%	0.542	S	S	*	.	H	α-helix	trans	-72.6	-40.7	179.4	-64.3	-172.7	127.7	0	0	113.1	N72 G77 H78	N72-E74 PolarHBondContact O-N 2.76Å; E74-G77 PolarHBondContact O-N 2.59Å; E74-H78 PolarHBondContact O-N 3.47Å
75	F	49.8	Very low	60.9	Low	169 Å²	169	107.8 Å²	107.8	74%	0.741	55%	0.545	S	S	*	.	H	α-helix	trans	-76.2	-34.5	177.2	-92.2	-78.7	0	0	0	112.8	I79	F75-I79 WeakPolarHBondContact O-CG1 3.45Å; F75-I79 PolarHBondContact O-N 3.09Å; F75-I79 VanDerWaalsContact O-N 3.1Å
76	S	53.1	Low	61.6	Low	63 Å²	63	109.2 Å²	109.2	44%	0.441	56%	0.556	S	S	.	*	H	α-helix	trans	-57.6	-54.7	163.7	-169.1	0	0	0	0	109	H78 I79 D80	S76-H78 VanDerWaalsContact C-N 3.31Å; S76-H78 PolarHBondContact O-N 2.82Å; S76-I79 CarbonylContact O-C 3.59Å; S76-I79 PolarHBondContact O-N 2.99Å; S76-D80 VanDerWaalsContact O-CB 3.29Å; S76-D80 WeakPolarHBondContact O-CB 3.49Å; S76-D80 PolarHBondContact O-N 3.45Å; S76-D80 PolarHBondContact OG-OD2 2.81Å
77	G	59.1	Low	62.4	Low	24 Å²	24	112.3 Å²	112.3	25%	0.247	57%	0.567	C	S	.	*	H	α-helix	trans	-55.3	-38.5	-179.1	0	0	0	0	0	114.3	K73 E74 L81	K73-G77 WeakPolarHBondContact O-CA 3.23Å; K73-G77 PolarHBondContact O-N 2.84Å; E74-G77 PolarHBondContact O-N 2.59Å; G77-L81 WeakPolarHBondContact O-CB 3.39Å; G77-L81 WeakPolarHBondContact O-CD1 3.25Å; G77-L81 WeakPolarHBondContact O-CG 3.44Å; G77-L81 PolarHBondContact O-N 2.96Å
78	H	59.6	Low	63.3	Low	135 Å²	135	111.1 Å²	111.1	63%	0.625	57%	0.565	S	S	*	*	H	α-helix	trans	-71.9	-40.8	175.3	-107.3	62.4	0	0	0	113.1	E74 S76 L81 L82	E74-H78 PolarHBondContact O-N 3.47Å; S76-H78 VanDerWaalsContact C-N 3.31Å; S76-H78 PolarHBondContact O-N 2.82Å; H78-L81 PolarHBondContact O-N 3.47Å; H78-L82 WeakPolarHBondContact O-CB 3.5Å; H78-L82 PolarHBondContact O-N 2.88Å
79	I	60.5	Low	64.1	Low	111 Å²	111	110.9 Å²	110.9	57%	0.569	57%	0.565	S	S	*	*	H	α-helix	trans	-67.1	-41.8	174.4	-71.2	177.2	0	0	0	110.6	F75 S76 L82 T83	F75-I79 WeakPolarHBondContact O-CG1 3.45Å; F75-I79 PolarHBondContact O-N 3.09Å; F75-I79 VanDerWaalsContact O-N 3.1Å; S76-I79 CarbonylContact O-C 3.59Å; S76-I79 PolarHBondContact O-N 2.99Å; I79-L82 PolarHBondContact O-N 3.12Å; I79-T83 WeakPolarHBondContact O-CB 3.43Å; I79-T83 PolarHBondContact O-N 3.4Å; I79-T83 PolarHBondContact O-OG1 3.37Å
80	D	65.6	Low	64.8	Low	76 Å²	76	112.1 Å²	112.1	41%	0.406	57%	0.569	S	S	.	*	H	α-helix	trans	-61.2	-44.8	174.3	-71.3	-48.8	0	0	0	110.9	S76 N84	S76-D80 VanDerWaalsContact O-CB 3.29Å; S76-D80 WeakPolarHBondContact O-CB 3.49Å; S76-D80 PolarHBondContact O-N 3.45Å; S76-D80 PolarHBondContact OG-OD2 2.81Å; D80-N84 VanDerWaalsContact O-CB 3.22Å; D80-N84 WeakPolarHBondContact O-CB 3.38Å; D80-N84 VanDerWaalsContact O-CG 3.25Å; D80-N84 PolarHBondContact O-N 3.45Å; D80-N84 PolarHBondContact O-ND2 2.84Å
81	L	72.2	Confident	66	Low	117 Å²	117	109.8 Å²	109.8	61%	0.613	56%	0.558	S	S	*	*	H	α-helix	trans	-64	-46.2	177	-80.5	166.9	0	0	0	112.1	G77 H78 N84 S85	G77-L81 WeakPolarHBondContact O-CB 3.39Å; G77-L81 WeakPolarHBondContact O-CD1 3.25Å; G77-L81 WeakPolarHBondContact O-CG 3.44Å; G77-L81 PolarHBondContact O-N 2.96Å; H78-L81 PolarHBondContact O-N 3.47Å; L81-N84 PolarHBondContact O-N 2.87Å; L81-S85 VanDerWaalsContact O-CB 3.29Å; L81-S85 WeakPolarHBondContact O-CB 3.47Å; L81-S85 PolarHBondContact O-N 2.76Å
82	L	67	Low	67.1	Low	132 Å²	132	106.5 Å²	106.5	69%	0.691	55%	0.548	S	S	*	.	H	α-helix	trans	-66.5	-41.6	179.8	-140.9	74.2	0	0	0	111.3	H78 I79 S85 L86	H78-L82 WeakPolarHBondContact O-CB 3.5Å; H78-L82 PolarHBondContact O-N 2.88Å; I79-L82 PolarHBondContact O-N 3.12Å; L82-S85 PolarHBondContact O-N 3.31Å; L82-L86 WeakPolarHBondContact O-CB 3.27Å; L82-L86 PolarHBondContact O-N 2.92Å; L82-L86 VanDerWaalsContact O-N 3.1Å
83	T	74.6	Confident	68.5	Low	82 Å²	82	109.4 Å²	109.4	50%	0.503	55%	0.554	S	S	.	*	H	α-helix	trans	-65.1	-44.7	176.9	-56.9	0	0	0	0	111.4	I79 K87	I79-T83 WeakPolarHBondContact O-CB 3.43Å; I79-T83 PolarHBondContact O-N 3.4Å; I79-T83 PolarHBondContact O-OG1 3.37Å; T83-K87 WeakPolarHBondContact O-CB 3.3Å; T83-K87 PolarHBondContact O-N 2.87Å
84	N	73.4	Confident	70	Confident	78 Å²	78	105.2 Å²	105.2	42%	0.417	54%	0.543	S	S	.	.	H	α-helix	trans	-69.8	-35.6	178.2	-74.2	-53.5	0	0	0	112.5	D80 L81 K87 N88	D80-N84 VanDerWaalsContact O-CB 3.22Å; D80-N84 WeakPolarHBondContact O-CB 3.38Å; D80-N84 VanDerWaalsContact O-CG 3.25Å; D80-N84 PolarHBondContact O-N 3.45Å; D80-N84 PolarHBondContact O-ND2 2.84Å; L81-N84 PolarHBondContact O-N 2.87Å; N84-K87 PolarHBondContact O-N 2.87Å; N84-N88 WeakPolarHBondContact O-CB 3.32Å; N84-N88 PolarHBondContact O-N 3.08Å; N84-N88 PolarHBondContact O-OD1 3.05Å
85	S	76.8	Confident	71.2	Confident	76 Å²	76	102.3 Å²	102.3	53%	0.531	53%	0.528	S	S	.	.	H	α-helix	trans	-62.8	-50.2	175.6	-170.3	0	0	0	0	111.6	L81 L82 K87 N88 E89	L81-S85 VanDerWaalsContact O-CB 3.29Å; L81-S85 WeakPolarHBondContact O-CB 3.47Å; L81-S85 PolarHBondContact O-N 2.76Å; L82-S85 PolarHBondContact O-N 3.31Å; S85-K87 VanDerWaalsContact C-N 3.32Å; S85-K87 PolarHBondContact O-N 2.98Å; S85-N88 PolarHBondContact O-N 3.39Å; S85-E89 PolarHBondContact O-N 2.92Å
86	L	79	Confident	72.7	Confident	133 Å²	133	96.8 Å²	96.8	70%	0.696	51%	0.513	S	S	*	.	H	α-helix	trans	-68.5	-32.6	179.8	-159.6	151.1	0	0	0	111.8	L82 M90	L82-L86 WeakPolarHBondContact O-CB 3.27Å; L82-L86 PolarHBondContact O-N 2.92Å; L82-L86 VanDerWaalsContact O-N 3.1Å; L86-M90 WeakPolarHBondContact O-CB 3.26Å; L86-M90 PolarHBondContact O-N 3.38Å
87	K	75.8	Confident	74	Confident	127 Å²	127	100.3 Å²	100.3	55%	0.552	52%	0.521	S	S	*	.	H	α-helix	trans	-66.3	-42.3	171.7	-174.6	178.3	-179.7	-176.7	0	112.4	T83 N84 S85 M90 D91	T83-K87 WeakPolarHBondContact O-CB 3.3Å; T83-K87 PolarHBondContact O-N 2.87Å; N84-K87 PolarHBondContact O-N 2.87Å; S85-K87 VanDerWaalsContact C-N 3.32Å; S85-K87 PolarHBondContact O-N 2.98Å; K87-M90 PolarHBondContact O-N 2.89Å; K87-D91 VanDerWaalsContact O-CB 3.3Å; K87-D91 WeakPolarHBondContact O-CB 3.21Å; K87-D91 PolarHBondContact O-N 3.28Å
88	N	77	Confident	75.3	Confident	97 Å²	97	102.5 Å²	102.5	52%	0.519	53%	0.532	S	S	.	.	H	α-helix	trans	-64.2	-47.6	179.7	-77.3	-2.5	0	0	0	112	N84 S85 M90 D91 D92	N84-N88 WeakPolarHBondContact O-CB 3.32Å; N84-N88 PolarHBondContact O-N 3.08Å; N84-N88 PolarHBondContact O-OD1 3.05Å; S85-N88 PolarHBondContact O-N 3.39Å; N88-M90 VanDerWaalsContact C-N 3.3Å; N88-M90 PolarHBondContact O-N 2.86Å; N88-D91 PolarHBondContact O-N 2.83Å; N88-D91 VanDerWaalsContact O-N 3.16Å; N88-D92 PolarHBondContact O-N 3.36Å
89	E	80.4	Confident	76.4	Confident	118 Å²	118	101 Å²	101	55%	0.551	53%	0.529	S	S	*	.	H	α-helix	trans	-51.4	-50.9	172.5	-78.7	-81.4	148.1	0	0	110.7	S85 D91 D92 Y93	S85-E89 PolarHBondContact O-N 2.92Å; E89-D91 PolarHBondContact O-N 2.86Å; E89-D92 PolarHBondContact O-N 3.02Å; E89-Y93 WeakPolarHBondContact O-CD2 3.27Å; E89-Y93 PolarHBondContact O-N 3.04Å
90	M	72.1	Confident	77.5	Confident	123 Å²	123	101.5 Å²	101.5	61%	0.606	53%	0.529	S	S	*	.	H	α-helix	trans	-63.3	-39.6	179.7	-163.1	68.7	178.8	0	0	112.7	L86 K87 N88 D92 V94	L86-M90 WeakPolarHBondContact O-CB 3.26Å; L86-M90 PolarHBondContact O-N 3.38Å; K87-M90 PolarHBondContact O-N 2.89Å; N88-M90 VanDerWaalsContact C-N 3.3Å; N88-M90 PolarHBondContact O-N 2.86Å; M90-D92 VanDerWaalsContact C-N 3.31Å; M90-D92 PolarHBondContact O-N 2.96Å; M90-V94 WeakPolarHBondContact O-CB 3.39Å; M90-V94 VanDerWaalsContact O-CG2 3.24Å; M90-V94 WeakPolarHBondContact O-CG2 3.33Å; M90-V94 PolarHBondContact O-N 2.78Å
91	D	78.2	Confident	78.4	Confident	80 Å²	80	101.3 Å²	101.3	43%	0.428	53%	0.531	S	S	.	.	H	α-helix	trans	-67.4	-31	178.7	-153.5	64.8	0	0	0	111.8	K87 N88 E89 K95	K87-D91 VanDerWaalsContact O-CB 3.3Å; K87-D91 WeakPolarHBondContact O-CB 3.21Å; K87-D91 PolarHBondContact O-N 3.28Å; N88-D91 PolarHBondContact O-N 2.83Å; N88-D91 VanDerWaalsContact O-N 3.16Å; E89-D91 PolarHBondContact O-N 2.86Å; D91-K95 WeakPolarHBondContact O-CB 3.48Å; D91-K95 VanDerWaalsContact O-CG 3.25Å; D91-K95 WeakPolarHBondContact O-CG 3.29Å; D91-K95 PolarHBondContact O-N 2.96Å; D91-K95 PolarHBondContact O-NZ 3.3Å; D91-K95 VanDerWaalsContact O-NZ 3.15Å; D91-K95 WeakPolarHBondContact OD2-CE 3.39Å; D91-K95 IonicContact OD2-NZ 2.78Å; D91-K95 PolarHBondContact OD2-NZ 2.83Å
92	D	76.3	Confident	79	Confident	94 Å²	94	99.7 Å²	99.7	50%	0.503	52%	0.52	S	S	.	.	H	α-helix	trans	-80.5	-37.3	176.7	-74.4	-17.5	0	0	0	112.8	N88 E89 M90 V94 K95 A96	N88-D92 PolarHBondContact O-N 3.36Å; E89-D92 PolarHBondContact O-N 3.02Å; M90-D92 VanDerWaalsContact C-N 3.31Å; M90-D92 PolarHBondContact O-N 2.96Å; D92-V94 VanDerWaalsContact C-N 3.35Å; D92-K95 PolarHBondContact O-N 3.27Å; D92-K95 IonicContact OD1-NZ 2.72Å; D92-K95 PolarHBondContact OD1-NZ 3.37Å; D92-A96 WeakPolarHBondContact O-CB 3.17Å; D92-A96 PolarHBondContact O-N 3.41Å
93	Y	77.7	Confident	79.9	Confident	140 Å²	140	99.2 Å²	99.2	55%	0.549	52%	0.517	S	S	.	.	H	α-helix	trans	-61.5	-42.4	167.3	-77.3	-70.2	0	0	0	111.7	E89 A96 F97	E89-Y93 WeakPolarHBondContact O-CD2 3.27Å; E89-Y93 PolarHBondContact O-N 3.04Å; Y93-A96 PolarHBondContact O-N 2.65Å; Y93-F97 HydrophobicContact CD1-CE2 4.4Å; Y93-F97 WeakPolarHBondContact O-CD2 3.33Å; Y93-F97 PolarHBondContact O-N 3.14Å
94	V	86	Confident	80.3	Confident	82 Å²	82	100.4 Å²	100.4	50%	0.497	52%	0.52	S	S	.	.	H	α-helix	trans	-63.1	-42.5	175.6	167.9	0	0	0	0	111.3	M90 D92 S98	M90-V94 WeakPolarHBondContact O-CB 3.39Å; M90-V94 VanDerWaalsContact O-CG2 3.24Å; M90-V94 WeakPolarHBondContact O-CG2 3.33Å; M90-V94 PolarHBondContact O-N 2.78Å; D92-V94 VanDerWaalsContact C-N 3.35Å; V94-S98 WeakPolarHBondContact O-CB 3.41Å; V94-S98 PolarHBondContact O-N 2.91Å
95	K	80.7	Confident	80.9	Confident	91 Å²	91	104.8 Å²	104.8	40%	0.396	53%	0.531	S	S	.	.	H	α-helix	trans	-59.6	-44.7	172.3	-78	-179.9	-150	81.6	0	112.2	D91 D92 S98 N99	D91-K95 WeakPolarHBondContact O-CB 3.48Å; D91-K95 VanDerWaalsContact O-CG 3.25Å; D91-K95 WeakPolarHBondContact O-CG 3.29Å; D91-K95 PolarHBondContact O-N 2.96Å; D91-K95 PolarHBondContact O-NZ 3.3Å; D91-K95 VanDerWaalsContact O-NZ 3.15Å; D91-K95 WeakPolarHBondContact OD2-CE 3.39Å; D91-K95 IonicContact OD2-NZ 2.78Å; D91-K95 PolarHBondContact OD2-NZ 2.83Å; D92-K95 PolarHBondContact O-N 3.27Å; D92-K95 IonicContact OD1-NZ 2.72Å; D92-K95 PolarHBondContact OD1-NZ 3.37Å; K95-S98 PolarHBondContact O-N 3.35Å; K95-N99 VanDerWaalsContact O-CB 3.29Å; K95-N99 WeakPolarHBondContact O-CB 3.27Å; K95-N99 PolarHBondContact O-N 3.06Å; K95-N99 PolarHBondContact O-ND2 3.09Å
96	A	81.6	Confident	81.3	Confident	53 Å²	53	107.7 Å²	107.7	44%	0.438	53%	0.53	S	S	.	.	H	α-helix	trans	-61.3	-53.7	-178.1	0	0	0	0	0	111.8	D92 Y93 S98 N99 E100	D92-A96 WeakPolarHBondContact O-CB 3.17Å; D92-A96 PolarHBondContact O-N 3.41Å; Y93-A96 PolarHBondContact O-N 2.65Å; A96-S98 PolarHBondContact O-N 2.77Å; A96-N99 PolarHBondContact O-N 2.82Å; A96-E100 PolarHBondContact O-N 2.91Å; A96-E100 VanDerWaalsContact O-N 3.07Å
97	F	80.1	Confident	81.8	Confident	138 Å²	138	106.1 Å²	106.1	61%	0.605	52%	0.522	S	S	*	.	H	α-helix	trans	-65.9	-36.4	178.4	-67.2	-58.2	0	0	0	112.7	Y93 E100 V101	Y93-F97 HydrophobicContact CD1-CE2 4.4Å; Y93-F97 WeakPolarHBondContact O-CD2 3.33Å; Y93-F97 PolarHBondContact O-N 3.14Å; F97-E100 PolarHBondContact O-N 3.27Å; F97-V101 WeakPolarHBondContact O-CG2 3.44Å; F97-V101 PolarHBondContact O-N 2.89Å
98	S	87.1	Confident	82.3	Confident	69 Å²	69	105.3 Å²	105.3	48%	0.483	52%	0.523	S	S	.	.	H	α-helix	trans	-62.2	-46.5	174.4	-173.5	0	0	0	0	111.7	V94 K95 A96 E100 V101 E102	V94-S98 WeakPolarHBondContact O-CB 3.41Å; V94-S98 PolarHBondContact O-N 2.91Å; K95-S98 PolarHBondContact O-N 3.35Å; A96-S98 PolarHBondContact O-N 2.77Å; S98-E100 PolarHBondContact O-N 2.79Å; S98-V101 PolarHBondContact O-N 2.89Å; S98-E102 WeakPolarHBondContact O-CB 3.35Å; S98-E102 PolarHBondContact O-N 3.48Å
99	N	81.5	Confident	82.7	Confident	103 Å²	103	106 Å²	106	55%	0.551	53%	0.527	S	S	*	.	H	α-helix	trans	-60.4	-42.3	176.9	-83.6	-24.1	0	0	0	112.4	K95 A96 E102 L103	K95-N99 VanDerWaalsContact O-CB 3.29Å; K95-N99 WeakPolarHBondContact O-CB 3.27Å; K95-N99 PolarHBondContact O-N 3.06Å; K95-N99 PolarHBondContact O-ND2 3.09Å; A96-N99 PolarHBondContact O-N 2.82Å; N99-E102 WeakPolarHBondContact O-CB 3.25Å; N99-E102 PolarHBondContact O-N 2.86Å; N99-L103 WeakPolarHBondContact O-CB 3.4Å; N99-L103 PolarHBondContact O-N 3.43Å
100	E	84.7	Confident	83.1	Confident	122 Å²	122	106.2 Å²	106.2	57%	0.57	53%	0.526	S	S	*	.	H	α-helix	trans	-69.8	-39.3	-180	-171.5	160.5	-159.9	0	0	112.1	A96 F97 S98 L103 L104	A96-E100 PolarHBondContact O-N 2.91Å; A96-E100 VanDerWaalsContact O-N 3.07Å; F97-E100 PolarHBondContact O-N 3.27Å; S98-E100 PolarHBondContact O-N 2.79Å; E100-L103 PolarHBondContact O-N 3.36Å; E100-L104 HydrophobicContact CG-CD1 4.27Å; E100-L104 WeakPolarHBondContact O-CB 3.29Å; E100-L104 WeakPolarHBondContact O-CG 3.42Å; E100-L104 PolarHBondContact O-N 2.93Å
101	V	84.2	Confident	83.7	Confident	73 Å²	73	103.6 Å²	103.6	44%	0.442	52%	0.517	S	S	.	.	H	α-helix	trans	-63.1	-41.1	171.7	171.2	0	0	0	0	111.5	F97 S98 R105	F97-V101 WeakPolarHBondContact O-CG2 3.44Å; F97-V101 PolarHBondContact O-N 2.89Å; S98-V101 PolarHBondContact O-N 2.89Å; V101-R105 WeakPolarHBondContact O-CB 3.39Å; V101-R105 VanDerWaalsContact O-CG 3.23Å; V101-R105 WeakPolarHBondContact O-CG 3.38Å; V101-R105 PolarHBondContact O-N 2.97Å
102	E	85.1	Confident	84.1	Confident	83 Å²	83	102.5 Å²	102.5	39%	0.388	52%	0.516	S	S	.	.	H	α-helix	trans	-61	-43.1	171.7	-95.2	-113.5	109.7	0	0	112.2	S98 N99 R105 R106	S98-E102 WeakPolarHBondContact O-CB 3.35Å; S98-E102 PolarHBondContact O-N 3.48Å; N99-E102 WeakPolarHBondContact O-CB 3.25Å; N99-E102 PolarHBondContact O-N 2.86Å; E102-R105 PolarHBondContact O-N 2.8Å; E102-R106 VanDerWaalsContact CD-NH1 3.28Å; E102-R106 VanDerWaalsContact CD-NH2 3.27Å; E102-R106 WeakPolarHBondContact O-CG 3.44Å; E102-R106 PolarHBondContact O-N 3.22Å; E102-R106 IonicContact OE1-CZ 3.85Å; E102-R106 IonicContact OE1-NH1 3.09Å; E102-R106 IonicContact OE1-NH2 2.83Å; E102-R106 PolarHBondContact OE1-NH2 3.39Å; E102-R106 VanDerWaalsContact OE1-NH2 3.13Å; E102-R106 IonicContact OE2-CZ 3.69Å; E102-R106 IonicContact OE2-NH1 2.68Å; E102-R106 PolarHBondContact OE2-NH1 3.3Å; E102-R106 IonicContact OE2-NH2 3.71Å; E102-R106 PolarHBondContact OE2-NH2 2.9Å
103	L	85	Confident	84.7	Confident	122 Å²	122	103 Å²	103	64%	0.639	52%	0.518	S	S	*	.	H	α-helix	trans	-65	-46.6	-179.9	-147.4	79.3	0	0	0	111.2	N99 E100 R105 R106 N107	N99-L103 WeakPolarHBondContact O-CB 3.4Å; N99-L103 PolarHBondContact O-N 3.43Å; E100-L103 PolarHBondContact O-N 3.36Å; L103-R105 PolarHBondContact O-N 3.33Å; L103-R106 PolarHBondContact O-N 2.78Å; L103-N107 WeakPolarHBondContact O-CB 3.47Å; L103-N107 PolarHBondContact O-N 3.02Å
104	L	82.6	Confident	85.2	Confident	107 Å²	107	100.9 Å²	100.9	56%	0.56	51%	0.513	S	S	*	.	H	α-helix	trans	-61.8	-42.2	175.9	-71.6	167.7	0	0	0	111.7	E100 N107 L108	E100-L104 HydrophobicContact CG-CD1 4.27Å; E100-L104 WeakPolarHBondContact O-CB 3.29Å; E100-L104 WeakPolarHBondContact O-CG 3.42Å; E100-L104 PolarHBondContact O-N 2.93Å; L104-N107 PolarHBondContact O-N 2.86Å; L104-L108 WeakPolarHBondContact O-CB 3.39Å; L104-L108 PolarHBondContact O-N 3.15Å
105	R	87.1	Confident	85.3	Confident	170 Å²	170	102 Å²	102	64%	0.642	52%	0.516	S	S	*	.	H	α-helix	trans	-62.8	-43.4	174.1	-76.2	173.8	177.9	-158.5	0.7	112.3	V101 E102 L103 N107 L108 N109	V101-R105 WeakPolarHBondContact O-CB 3.39Å; V101-R105 VanDerWaalsContact O-CG 3.23Å; V101-R105 WeakPolarHBondContact O-CG 3.38Å; V101-R105 PolarHBondContact O-N 2.97Å; E102-R105 PolarHBondContact O-N 2.8Å; L103-R105 PolarHBondContact O-N 3.33Å; R105-N107 VanDerWaalsContact C-N 3.33Å; R105-N107 PolarHBondContact O-N 2.92Å; R105-L108 PolarHBondContact O-N 2.7Å; R105-N109 WeakPolarHBondContact O-CB 3.26Å; R105-N109 VanDerWaalsContact O-CG 3.31Å; R105-N109 PolarHBondContact O-N 3.5Å; R105-N109 PolarHBondContact O-ND2 2.71Å
106	R	84.9	Confident	85.5	Confident	137 Å²	137	101.1 Å²	101.1	52%	0.517	52%	0.518	S	S	.	.	H	α-helix	trans	-61.2	-41.7	174.1	-75.7	-172.2	-177.4	90.4	11.4	111.7	E102 L103 N109 K110	E102-R106 VanDerWaalsContact CD-NH1 3.28Å; E102-R106 VanDerWaalsContact CD-NH2 3.27Å; E102-R106 WeakPolarHBondContact O-CG 3.44Å; E102-R106 PolarHBondContact O-N 3.22Å; E102-R106 IonicContact OE1-CZ 3.85Å; E102-R106 IonicContact OE1-NH1 3.09Å; E102-R106 IonicContact OE1-NH2 2.83Å; E102-R106 PolarHBondContact OE1-NH2 3.39Å; E102-R106 VanDerWaalsContact OE1-NH2 3.13Å; E102-R106 IonicContact OE2-CZ 3.69Å; E102-R106 IonicContact OE2-NH1 2.68Å; E102-R106 PolarHBondContact OE2-NH1 3.3Å; E102-R106 IonicContact OE2-NH2 3.71Å; E102-R106 PolarHBondContact OE2-NH2 2.9Å; L103-R106 PolarHBondContact O-N 2.78Å; R106-N109 PolarHBondContact O-N 2.85Å; R106-K110 VanDerWaalsContact O-CB 3.3Å; R106-K110 WeakPolarHBondContact O-CB 3.35Å; R106-K110 PolarHBondContact O-N 3.19Å
107	N	89.8	Confident	85.9	Confident	99 Å²	99	102.2 Å²	102.2	53%	0.529	52%	0.517	S	S	.	.	H	α-helix	trans	-69.8	-38.9	-179.4	-140.1	9.9	0	0	0	112.3	L103 L104 R105 K110 T111	L103-N107 WeakPolarHBondContact O-CB 3.47Å; L103-N107 PolarHBondContact O-N 3.02Å; L104-N107 PolarHBondContact O-N 2.86Å; R105-N107 VanDerWaalsContact C-N 3.33Å; R105-N107 PolarHBondContact O-N 2.92Å; N107-K110 PolarHBondContact O-N 2.88Å; N107-T111 WeakPolarHBondContact O-CG2 3.37Å; N107-T111 PolarHBondContact O-N 2.83Å; N107-T111 PolarHBondContact O-OG1 2.87Å
108	L	86.6	Confident	86.1	Confident	111 Å²	111	98.4 Å²	98.4	58%	0.581	51%	0.51	S	S	*	.	H	α-helix	trans	-65.2	-41.8	173.4	-177.8	62	0	0	0	112.1	L104 R105 T111 S112	L104-L108 WeakPolarHBondContact O-CB 3.39Å; L104-L108 PolarHBondContact O-N 3.15Å; R105-L108 PolarHBondContact O-N 2.7Å; L108-T111 WeakPolarHBondContact CA-OG1 3.49Å; L108-T111 PolarHBondContact O-OG1 2.92Å; L108-T111 VanDerWaalsContact O-OG1 3.14Å; L108-S112 VanDerWaalsContact O-CB 3.25Å; L108-S112 WeakPolarHBondContact O-CB 3.34Å; L108-S112 PolarHBondContact O-N 2.74Å; L108-S112 PolarHBondContact O-OG 3.28Å
109	N	85.1	Confident	86.3	Confident	112 Å²	112	101.6 Å²	101.6	60%	0.599	52%	0.516	S	S	*	.	H	α-helix	trans	-65.7	-42.4	175.1	-75.4	-17.8	0	0	0	111.7	R105 R106 S112 L113	R105-N109 WeakPolarHBondContact O-CB 3.26Å; R105-N109 VanDerWaalsContact O-CG 3.31Å; R105-N109 PolarHBondContact O-N 3.5Å; R105-N109 PolarHBondContact O-ND2 2.71Å; R106-N109 PolarHBondContact O-N 2.85Å; N109-S112 PolarHBondContact O-N 2.95Å; N109-L113 WeakPolarHBondContact O-CB 3.35Å; N109-L113 PolarHBondContact O-N 2.83Å
110	K	88.5	Confident	86.8	Confident	121 Å²	121	101.8 Å²	101.8	53%	0.526	52%	0.516	S	S	.	.	H	α-helix	trans	-60.7	-53.3	176.5	179.2	177.8	170.6	-179.4	0	111.7	R106 N107 S112 L113 E114	R106-K110 VanDerWaalsContact O-CB 3.3Å; R106-K110 WeakPolarHBondContact O-CB 3.35Å; R106-K110 PolarHBondContact O-N 3.19Å; N107-K110 PolarHBondContact O-N 2.88Å; K110-S112 VanDerWaalsContact C-N 3.29Å; K110-S112 PolarHBondContact O-N 3.4Å; K110-L113 PolarHBondContact O-N 3.03Å; K110-L113 VanDerWaalsContact O-N 3.09Å; K110-E114 WeakPolarHBondContact CE-OE1 3.39Å; K110-E114 HydrophobicContact CG-CG 4.48Å; K110-E114 IonicContact NZ-OE1 2.65Å; K110-E114 WeakPolarHBondContact O-CG 3.09Å; K110-E114 PolarHBondContact O-N 2.9Å
111	T	84	Confident	87	Confident	68 Å²	68	102.7 Å²	102.7	42%	0.417	52%	0.52	S	S	.	.	H	α-helix	trans	-63.1	-34.7	179	48.9	0	0	0	0	112.4	N107 L108 L115	N107-T111 WeakPolarHBondContact O-CG2 3.37Å; N107-T111 PolarHBondContact O-N 2.83Å; N107-T111 PolarHBondContact O-OG1 2.87Å; L108-T111 WeakPolarHBondContact CA-OG1 3.49Å; L108-T111 PolarHBondContact O-OG1 2.92Å; L108-T111 VanDerWaalsContact O-OG1 3.14Å; T111-L115 VanDerWaalsContact O-CB 3.3Å; T111-L115 WeakPolarHBondContact O-CB 3.47Å; T111-L115 PolarHBondContact O-N 3.29Å
112	S	87.8	Confident	87.2	Confident	57 Å²	57	104.8 Å²	104.8	40%	0.399	53%	0.528	S	S	.	.	H	α-helix	trans	-64.7	-40.4	172.1	-61	0	0	0	0	112.4	L108 N109 K110 L115 T116	L108-S112 VanDerWaalsContact O-CB 3.25Å; L108-S112 WeakPolarHBondContact O-CB 3.34Å; L108-S112 PolarHBondContact O-N 2.74Å; L108-S112 PolarHBondContact O-OG 3.28Å; N109-S112 PolarHBondContact O-N 2.95Å; K110-S112 VanDerWaalsContact C-N 3.29Å; K110-S112 PolarHBondContact O-N 3.4Å; S112-L115 PolarHBondContact O-N 2.86Å; S112-T116 WeakPolarHBondContact O-CG2 3.45Å; S112-T116 PolarHBondContact O-N 3.39Å; S112-T116 PolarHBondContact O-OG1 3.36Å
113	L	87.7	Confident	87.5	Confident	105 Å²	105	107.8 Å²	107.8	55%	0.55	54%	0.539	S	S	.	.	H	α-helix	trans	-74.2	-33.4	178.9	-171.7	137.2	0	0	0	112.6	N109 K110 T116 N117	N109-L113 WeakPolarHBondContact O-CB 3.35Å; N109-L113 PolarHBondContact O-N 2.83Å; K110-L113 PolarHBondContact O-N 3.03Å; K110-L113 VanDerWaalsContact O-N 3.09Å; L113-T116 WeakPolarHBondContact CA-OG1 3.33Å; L113-T116 PolarHBondContact O-OG1 2.78Å; L113-T116 VanDerWaalsContact O-OG1 3.11Å; L113-N117 WeakPolarHBondContact CD2-ND2 3.36Å; L113-N117 VanDerWaalsContact O-CB 3.26Å; L113-N117 WeakPolarHBondContact O-CB 3.38Å; L113-N117 VanDerWaalsContact O-CG 3.32Å; L113-N117 PolarHBondContact O-N 3.02Å; L113-N117 PolarHBondContact O-ND2 3.29Å
114	E	88	Confident	87.7	Confident	95 Å²	95	108.3 Å²	108.3	44%	0.444	54%	0.536	S	S	.	.	H	α-helix	trans	-66.2	-42.2	169.9	-73	169.5	169.1	0	0	111.1	K110 N117 A118	K110-E114 WeakPolarHBondContact CE-OE1 3.39Å; K110-E114 HydrophobicContact CG-CG 4.48Å; K110-E114 IonicContact NZ-OE1 2.65Å; K110-E114 WeakPolarHBondContact O-CG 3.09Å; K110-E114 PolarHBondContact O-N 2.9Å; E114-N117 PolarHBondContact O-N 2.95Å; E114-A118 WeakPolarHBondContact O-CB 3.41Å; E114-A118 PolarHBondContact O-N 2.87Å
115	L	88.2	Confident	88	Confident	107 Å²	107	106 Å²	106	56%	0.56	53%	0.533	S	S	*	.	H	α-helix	trans	-63.7	-45.1	175.1	-172.6	158.4	0	0	0	111.8	T111 S112 K119	T111-L115 VanDerWaalsContact O-CB 3.3Å; T111-L115 WeakPolarHBondContact O-CB 3.47Å; T111-L115 PolarHBondContact O-N 3.29Å; S112-L115 PolarHBondContact O-N 2.86Å; L115-K119 HydrophobicContact CD2-CD 4.36Å; L115-K119 VanDerWaalsContact O-CB 3.22Å; L115-K119 WeakPolarHBondContact O-CB 3.32Å; L115-K119 PolarHBondContact O-N 3.44Å
116	T	85.4	Confident	88.2	Confident	71 Å²	71	101.5 Å²	101.5	44%	0.436	53%	0.525	S	S	.	.	H	α-helix	trans	-66.8	-41.5	176.7	54.4	0	0	0	0	111.7	S112 L113 K119 I120	S112-T116 WeakPolarHBondContact O-CG2 3.45Å; S112-T116 PolarHBondContact O-N 3.39Å; S112-T116 PolarHBondContact O-OG1 3.36Å; L113-T116 WeakPolarHBondContact CA-OG1 3.33Å; L113-T116 PolarHBondContact O-OG1 2.78Å; L113-T116 VanDerWaalsContact O-OG1 3.11Å; T116-K119 PolarHBondContact O-N 2.88Å; T116-I120 WeakPolarHBondContact O-CB 3.29Å; T116-I120 VanDerWaalsContact O-CG1 3.25Å; T116-I120 WeakPolarHBondContact O-CG1 3.44Å; T116-I120 PolarHBondContact O-N 2.86Å
117	N	89.7	Confident	88.5	Confident	77 Å²	77	97.8 Å²	97.8	41%	0.412	52%	0.519	S	S	.	.	H	α-helix	trans	-59.7	-48.7	174.1	-83.4	-27.7	0	0	0	112.3	L113 E114 K119 I120 Q121	L113-N117 WeakPolarHBondContact CD2-ND2 3.36Å; L113-N117 VanDerWaalsContact O-CB 3.26Å; L113-N117 WeakPolarHBondContact O-CB 3.38Å; L113-N117 VanDerWaalsContact O-CG 3.32Å; L113-N117 PolarHBondContact O-N 3.02Å; L113-N117 PolarHBondContact O-ND2 3.29Å; E114-N117 PolarHBondContact O-N 2.95Å; N117-K119 VanDerWaalsContact C-N 3.26Å; N117-K119 PolarHBondContact O-N 3.15Å; N117-I120 PolarHBondContact O-N 3.47Å; N117-Q121 WeakPolarHBondContact O-CG 3.31Å; N117-Q121 PolarHBondContact O-N 3.28Å
118	A	84.2	Confident	88.6	Confident	57 Å²	57	96.5 Å²	96.5	47%	0.471	51%	0.512	S	S	.	.	H	α-helix	trans	-59.9	-37.8	176.5	0	0	0	0	0	111.9	E114 L122	E114-A118 WeakPolarHBondContact O-CB 3.41Å; E114-A118 PolarHBondContact O-N 2.87Å; A118-L122 VanDerWaalsContact O-CB 3.28Å; A118-L122 WeakPolarHBondContact O-CB 3.33Å; A118-L122 PolarHBondContact O-N 2.87Å
119	K	93	Very high	88.7	Confident	137 Å²	137	96.2 Å²	96.2	60%	0.596	51%	0.511	S	S	*	.	H	α-helix	trans	-72.7	-30.2	178	-160.3	169.5	-170.6	173.1	0	113	L115 T116 N117 K123	L115-K119 HydrophobicContact CD2-CD 4.36Å; L115-K119 VanDerWaalsContact O-CB 3.22Å; L115-K119 WeakPolarHBondContact O-CB 3.32Å; L115-K119 PolarHBondContact O-N 3.44Å; T116-K119 PolarHBondContact O-N 2.88Å; N117-K119 VanDerWaalsContact C-N 3.26Å; N117-K119 PolarHBondContact O-N 3.15Å; K119-K123 WeakPolarHBondContact O-CB 3.43Å; K119-K123 WeakPolarHBondContact O-CG 3.49Å; K119-K123 PolarHBondContact O-N 3.2Å; K119-K123 VanDerWaalsContact O-N 3.14Å
120	I	90.4	Very high	89.1	Confident	107 Å²	107	94.4 Å²	94.4	55%	0.549	50%	0.502	S	S	.	.	H	α-helix	trans	-73.2	-46.6	171.5	-70.8	163.1	0	0	0	110.3	T116 N117 L122 K123 K124	T116-I120 WeakPolarHBondContact O-CB 3.29Å; T116-I120 VanDerWaalsContact O-CG1 3.25Å; T116-I120 WeakPolarHBondContact O-CG1 3.44Å; T116-I120 PolarHBondContact O-N 2.86Å; N117-I120 PolarHBondContact O-N 3.47Å; I120-L122 PolarHBondContact O-N 3.14Å; I120-K123 PolarHBondContact O-N 2.85Å; I120-K124 PolarHBondContact O-N 3.43Å
121	Q	89.8	Confident	89.1	Confident	141 Å²	141	93.8 Å²	93.8	66%	0.659	50%	0.501	S	S	*	.	H	α-helix	trans	-60.6	-44	176.1	-72.7	-176.6	12	0	0	111.6	N117 K124 A125	N117-Q121 WeakPolarHBondContact O-CG 3.31Å; N117-Q121 PolarHBondContact O-N 3.28Å; Q121-K124 PolarHBondContact O-N 2.91Å; Q121-A125 WeakPolarHBondContact O-CB 3.38Å; Q121-A125 PolarHBondContact O-N 2.9Å
122	L	87.8	Confident	89.4	Confident	116 Å²	116	94.2 Å²	94.2	61%	0.607	50%	0.503	S	S	*	.	H	α-helix	trans	-62.2	-44	175.4	-173.2	149.5	0	0	0	111.5	A118 I120 K124 A125 T126	A118-L122 VanDerWaalsContact O-CB 3.28Å; A118-L122 WeakPolarHBondContact O-CB 3.33Å; A118-L122 PolarHBondContact O-N 2.87Å; I120-L122 PolarHBondContact O-N 3.14Å; L122-K124 PolarHBondContact O-N 2.78Å; L122-A125 PolarHBondContact O-N 2.93Å; L122-T126 HydrophobicContact CD2-CG2 4.31Å; L122-T126 WeakPolarHBondContact O-CG2 3.11Å; L122-T126 PolarHBondContact O-N 3.13Å; L122-T126 PolarHBondContact O-OG1 2.78Å; L122-T126 VanDerWaalsContact O-OG1 3.11Å
123	K	91.3	Very high	89.6	Confident	146 Å²	146	94.3 Å²	94.3	64%	0.635	50%	0.501	S	S	*	.	H	α-helix	trans	-59	-45	173.4	-89	-168.3	170.4	-165.4	0	112.4	K119 I120 T126 S127	K119-K123 WeakPolarHBondContact O-CB 3.43Å; K119-K123 WeakPolarHBondContact O-CG 3.49Å; K119-K123 PolarHBondContact O-N 3.2Å; K119-K123 VanDerWaalsContact O-N 3.14Å; I120-K123 PolarHBondContact O-N 2.85Å; K123-T126 WeakPolarHBondContact CA-OG1 3.27Å; K123-T126 PolarHBondContact O-N 2.75Å; K123-T126 PolarHBondContact O-OG1 2.88Å; K123-S127 PolarHBondContact O-N 3.2Å
124	K	90.6	Very high	89.8	Confident	133 Å²	133	93.5 Å²	93.5	58%	0.578	49%	0.493	S	S	*	.	H	α-helix	trans	-61.5	-52.6	177.7	-170.4	-171.9	172.4	-171.8	0	110.4	I120 Q121 L122 T126 S127 D128	I120-K124 PolarHBondContact O-N 3.43Å; Q121-K124 PolarHBondContact O-N 2.91Å; L122-K124 PolarHBondContact O-N 2.78Å; K124-T126 VanDerWaalsContact C-N 3.25Å; K124-T126 PolarHBondContact O-N 3.39Å; K124-S127 CarbonylContact O-C 3.59Å; K124-S127 WeakPolarHBondContact O-CA 3.45Å; K124-S127 WeakPolarHBondContact O-CB 3.11Å; K124-S127 PolarHBondContact O-N 2.8Å; K124-D128 VanDerWaalsContact CE-OD2 3.32Å; K124-D128 WeakPolarHBondContact CE-OD2 3.4Å; K124-D128 VanDerWaalsContact O-CG 3.24Å; K124-D128 PolarHBondContact O-N 3.44Å
125	A	87.9	Confident	89.9	Confident	59 Å²	59	94.3 Å²	94.3	49%	0.488	50%	0.497	S	S	.	.	H	α-helix	trans	-56.8	-36.2	177.8	0	0	0	0	0	112.9	Q121 L122 L129	Q121-A125 WeakPolarHBondContact O-CB 3.38Å; Q121-A125 PolarHBondContact O-N 2.9Å; L122-A125 PolarHBondContact O-N 2.93Å; A125-L129 WeakPolarHBondContact O-CB 3.46Å; A125-L129 PolarHBondContact O-N 3.35Å
126	T	92.1	Very high	90	Very high	76 Å²	76	93.8 Å²	93.8	47%	0.466	49%	0.494	S	S	.	.	H	α-helix	trans	-71.4	-28.5	172.8	52.4	0	0	0	0	114.1	L122 K123 K124 D130	L122-T126 HydrophobicContact CD2-CG2 4.31Å; L122-T126 WeakPolarHBondContact O-CG2 3.11Å; L122-T126 PolarHBondContact O-N 3.13Å; L122-T126 PolarHBondContact O-OG1 2.78Å; L122-T126 VanDerWaalsContact O-OG1 3.11Å; K123-T126 WeakPolarHBondContact CA-OG1 3.27Å; K123-T126 PolarHBondContact O-N 2.75Å; K123-T126 PolarHBondContact O-OG1 2.88Å; K124-T126 VanDerWaalsContact C-N 3.25Å; K124-T126 PolarHBondContact O-N 3.39Å; T126-D130 WeakPolarHBondContact O-CB 3.38Å; T126-D130 PolarHBondContact O-N 2.8Å; T126-D130 VanDerWaalsContact O-N 3.09Å
127	S	90.8	Very high	90.3	Very high	58 Å²	58	96.1 Å²	96.1	41%	0.406	50%	0.5	S	S	.	.	H	α-helix	trans	-74.2	-47.9	174.6	-158.7	0	0	0	0	110.8	K123 K124 L129 D130 E131	K123-S127 PolarHBondContact O-N 3.2Å; K124-S127 CarbonylContact O-C 3.59Å; K124-S127 WeakPolarHBondContact O-CA 3.45Å; K124-S127 WeakPolarHBondContact O-CB 3.11Å; K124-S127 PolarHBondContact O-N 2.8Å; S127-L129 PolarHBondContact O-N 3.43Å; S127-D130 PolarHBondContact O-N 3.09Å; S127-D130 VanDerWaalsContact O-N 3.16Å; S127-E131 PolarHBondContact O-N 2.82Å
128	D	91.8	Very high	90.4	Very high	72 Å²	72	100.4 Å²	100.4	39%	0.385	51%	0.51	S	S	.	.	H	α-helix	trans	-59.8	-35.8	176.3	-57.2	-8.8	0	0	0	110.6	K124 T132	K124-D128 VanDerWaalsContact CE-OD2 3.32Å; K124-D128 WeakPolarHBondContact CE-OD2 3.4Å; K124-D128 VanDerWaalsContact O-CG 3.24Å; K124-D128 PolarHBondContact O-N 3.44Å; D128-T132 WeakPolarHBondContact O-CB 3.38Å; D128-T132 WeakPolarHBondContact O-CG2 3.46Å; D128-T132 PolarHBondContact O-N 2.98Å; D128-T132 PolarHBondContact O-OG1 3.06Å
129	L	89.4	Confident	90.7	Very high	106 Å²	106	101.1 Å²	101.1	56%	0.555	51%	0.512	S	S	*	.	H	α-helix	trans	-69	-44.4	173.4	-177.8	62.7	0	0	0	113	A125 S127 T132 V133	A125-L129 WeakPolarHBondContact O-CB 3.46Å; A125-L129 PolarHBondContact O-N 3.35Å; S127-L129 PolarHBondContact O-N 3.43Å; L129-T132 WeakPolarHBondContact CA-OG1 3.31Å; L129-T132 PolarHBondContact O-N 3.2Å; L129-T132 PolarHBondContact O-OG1 2.9Å; L129-T132 VanDerWaalsContact O-OG1 3.11Å; L129-V133 HydrophobicContact CD1-CG2 4.38Å; L129-V133 WeakPolarHBondContact O-CB 3.4Å; L129-V133 VanDerWaalsContact O-CG2 3.26Å; L129-V133 WeakPolarHBondContact O-CG2 3.23Å; L129-V133 PolarHBondContact O-N 2.8Å
130	D	91.9	Very high	90.6	Very high	74 Å²	74	100 Å²	100	40%	0.396	51%	0.508	S	S	.	.	H	α-helix	trans	-65.8	-38	177.5	175.2	57.9	0	0	0	111.9	T126 S127 K134	T126-D130 WeakPolarHBondContact O-CB 3.38Å; T126-D130 PolarHBondContact O-N 2.8Å; T126-D130 VanDerWaalsContact O-N 3.09Å; S127-D130 PolarHBondContact O-N 3.09Å; S127-D130 VanDerWaalsContact O-N 3.16Å; D130-K134 WeakPolarHBondContact O-CB 3.15Å; D130-K134 WeakPolarHBondContact O-CD 3.12Å; D130-K134 VanDerWaalsContact O-CG 3.28Å; D130-K134 WeakPolarHBondContact O-CG 3.31Å; D130-K134 PolarHBondContact O-N 3.03Å; D130-K134 WeakPolarHBondContact OD1-CE 3.37Å; D130-K134 IonicContact OD1-NZ 3.92Å; D130-K134 PolarHBondContact OD1-NZ 3.06Å; D130-K134 IonicContact OD2-NZ 2.66Å; D130-K134 PolarHBondContact OD2-NZ 3.41Å
131	E	90.4	Very high	90.7	Very high	108 Å²	108	97.4 Å²	97.4	51%	0.505	50%	0.502	S	S	.	.	H	α-helix	trans	-66.7	-45.3	172.9	-74	-168.6	-166.9	0	0	112.8	S127 K134 Q135	S127-E131 PolarHBondContact O-N 2.82Å; E131-K134 PolarHBondContact O-N 3.24Å; E131-Q135 VanDerWaalsContact O-CG 3.32Å; E131-Q135 WeakPolarHBondContact O-CG 3.27Å; E131-Q135 PolarHBondContact O-N 2.95Å
132	T	88.9	Confident	90.8	Very high	77 Å²	77	95.3 Å²	95.3	47%	0.472	50%	0.495	S	S	.	.	H	α-helix	trans	-67.1	-35.1	178.4	47.2	0	0	0	0	112.5	D128 L129 Q135 L136	D128-T132 WeakPolarHBondContact O-CB 3.38Å; D128-T132 WeakPolarHBondContact O-CG2 3.46Å; D128-T132 PolarHBondContact O-N 2.98Å; D128-T132 PolarHBondContact O-OG1 3.06Å; L129-T132 WeakPolarHBondContact CA-OG1 3.31Å; L129-T132 PolarHBondContact O-N 3.2Å; L129-T132 PolarHBondContact O-OG1 2.9Å; L129-T132 VanDerWaalsContact O-OG1 3.11Å; T132-Q135 PolarHBondContact O-N 3.32Å; T132-L136 WeakPolarHBondContact O-CB 3.38Å; T132-L136 PolarHBondContact O-N 2.99Å
133	V	93.2	Very high	90.9	Very high	59 Å²	59	96.2 Å²	96.2	36%	0.358	50%	0.496	S	S	.	.	H	α-helix	trans	-62	-47.9	169.6	168.3	0	0	0	0	110.9	L129 Q135 L136 E137	L129-V133 HydrophobicContact CD1-CG2 4.38Å; L129-V133 WeakPolarHBondContact O-CB 3.4Å; L129-V133 VanDerWaalsContact O-CG2 3.26Å; L129-V133 WeakPolarHBondContact O-CG2 3.23Å; L129-V133 PolarHBondContact O-N 2.8Å; V133-Q135 VanDerWaalsContact C-N 3.3Å; V133-Q135 PolarHBondContact O-N 3.44Å; V133-L136 WeakPolarHBondContact O-CB 3.42Å; V133-L136 PolarHBondContact O-N 2.89Å; V133-L136 VanDerWaalsContact O-N 3.15Å; V133-E137 HydrophobicContact CG1-CG 4.39Å; V133-E137 WeakPolarHBondContact O-CG 3.35Å; V133-E137 PolarHBondContact O-N 3.1Å
134	K	91.2	Very high	90.8	Very high	88 Å²	88	93.4 Å²	93.4	38%	0.383	49%	0.491	S	S	.	.	H	α-helix	trans	-63.1	-33.7	177.6	-75	164.9	-178.2	165.3	0	113.2	D130 E131 R138	D130-K134 WeakPolarHBondContact O-CB 3.15Å; D130-K134 WeakPolarHBondContact O-CD 3.12Å; D130-K134 VanDerWaalsContact O-CG 3.28Å; D130-K134 WeakPolarHBondContact O-CG 3.31Å; D130-K134 PolarHBondContact O-N 3.03Å; D130-K134 WeakPolarHBondContact OD1-CE 3.37Å; D130-K134 IonicContact OD1-NZ 3.92Å; D130-K134 PolarHBondContact OD1-NZ 3.06Å; D130-K134 IonicContact OD2-NZ 2.66Å; D130-K134 PolarHBondContact OD2-NZ 3.41Å; E131-K134 PolarHBondContact O-N 3.24Å; K134-R138 WeakPolarHBondContact O-CB 3.49Å; K134-R138 WeakPolarHBondContact O-CD 3.48Å; K134-R138 VanDerWaalsContact O-CG 3.22Å; K134-R138 WeakPolarHBondContact O-CG 3.49Å; K134-R138 PolarHBondContact O-N 3.44Å; K134-R138 VanDerWaalsContact O-N 3.09Å
135	Q	90.5	Very high	90.9	Very high	112 Å²	112	91.6 Å²	91.6	52%	0.523	49%	0.485	S	S	.	.	H	α-helix	trans	-68.3	-43.9	172.7	-71.1	176.1	27.8	0	0	111.4	E131 T132 V133 E137 R138 S139	E131-Q135 VanDerWaalsContact O-CG 3.32Å; E131-Q135 WeakPolarHBondContact O-CG 3.27Å; E131-Q135 PolarHBondContact O-N 2.95Å; T132-Q135 PolarHBondContact O-N 3.32Å; V133-Q135 VanDerWaalsContact C-N 3.3Å; V133-Q135 PolarHBondContact O-N 3.44Å; Q135-E137 PolarHBondContact O-N 3.44Å; Q135-R138 PolarHBondContact O-N 2.87Å; Q135-S139 WeakPolarHBondContact O-CB 3.37Å; Q135-S139 PolarHBondContact O-N 3.36Å
136	L	90.1	Very high	90.9	Very high	95 Å²	95	93.7 Å²	93.7	50%	0.497	49%	0.486	S	S	.	.	H	α-helix	trans	-60.6	-43.9	175	-171.3	93.7	0	0	0	111.9	T132 V133 S139 K140	T132-L136 WeakPolarHBondContact O-CB 3.38Å; T132-L136 PolarHBondContact O-N 2.99Å; V133-L136 WeakPolarHBondContact O-CB 3.42Å; V133-L136 PolarHBondContact O-N 2.89Å; V133-L136 VanDerWaalsContact O-N 3.15Å; L136-S139 PolarHBondContact O-N 3.05Å; L136-K140 HydrophobicContact CD2-CD 4.47Å; L136-K140 HydrophobicContact CG-CD 4.42Å; L136-K140 WeakPolarHBondContact O-CG 3.16Å; L136-K140 PolarHBondContact O-N 2.89Å
137	E	91.9	Very high	91	Very high	121 Å²	121	91.5 Å²	91.5	57%	0.565	48%	0.478	S	S	*	.	H	α-helix	trans	-64.7	-43.3	178	-73.2	-179	157.3	0	0	112.1	V133 Q135 S139 K140 A141	V133-E137 HydrophobicContact CG1-CG 4.39Å; V133-E137 WeakPolarHBondContact O-CG 3.35Å; V133-E137 PolarHBondContact O-N 3.1Å; Q135-E137 PolarHBondContact O-N 3.44Å; E137-S139 VanDerWaalsContact C-N 3.35Å; E137-K140 PolarHBondContact O-N 3Å; E137-A141 WeakPolarHBondContact O-CB 3.4Å; E137-A141 PolarHBondContact O-N 3.25Å
138	R	91.3	Very high	91	Very high	166 Å²	166	93.9 Å²	93.9	63%	0.626	49%	0.486	S	S	*	.	H	α-helix	trans	-61.4	-42.2	171.9	-72.3	167.4	-176	161.7	1.1	111.9	K134 Q135 A141 N142	K134-R138 WeakPolarHBondContact O-CB 3.49Å; K134-R138 WeakPolarHBondContact O-CD 3.48Å; K134-R138 VanDerWaalsContact O-CG 3.22Å; K134-R138 WeakPolarHBondContact O-CG 3.49Å; K134-R138 PolarHBondContact O-N 3.44Å; K134-R138 VanDerWaalsContact O-N 3.09Å; Q135-R138 PolarHBondContact O-N 2.87Å; R138-A141 PolarHBondContact O-N 2.83Å; R138-N142 VanDerWaalsContact O-CG 3.27Å; R138-N142 PolarHBondContact O-N 2.72Å; R138-N142 PolarHBondContact O-OD1 3.31Å
139	S	90.2	Very high	91.1	Very high	73 Å²	73	95 Å²	95	51%	0.51	49%	0.488	S	S	.	.	H	α-helix	trans	-62.1	-43.9	177.4	-165.5	0	0	0	0	111.3	Q135 L136 E137 N142 E143	Q135-S139 WeakPolarHBondContact O-CB 3.37Å; Q135-S139 PolarHBondContact O-N 3.36Å; L136-S139 PolarHBondContact O-N 3.05Å; E137-S139 VanDerWaalsContact C-N 3.35Å; S139-N142 PolarHBondContact O-N 2.84Å; S139-E143 VanDerWaalsContact O-CB 3.26Å; S139-E143 WeakPolarHBondContact O-CB 3.35Å; S139-E143 PolarHBondContact O-N 3.31Å
140	K	92	Very high	91.3	Very high	114 Å²	114	94.7 Å²	94.7	50%	0.496	49%	0.486	S	S	.	.	H	α-helix	trans	-67.4	-36	175.8	-74.3	177.2	175.6	-177.7	0	113	L136 E137 E143 T144	L136-K140 HydrophobicContact CD2-CD 4.47Å; L136-K140 HydrophobicContact CG-CD 4.42Å; L136-K140 WeakPolarHBondContact O-CG 3.16Å; L136-K140 PolarHBondContact O-N 2.89Å; E137-K140 PolarHBondContact O-N 3Å; K140-E143 PolarHBondContact O-N 2.87Å; K140-T144 WeakPolarHBondContact O-CB 3.32Å; K140-T144 WeakPolarHBondContact O-CG2 3.44Å; K140-T144 PolarHBondContact O-N 2.94Å; K140-T144 PolarHBondContact O-OG1 2.93Å
141	A	92.2	Very high	91.3	Very high	51 Å²	51	95 Å²	95	42%	0.421	49%	0.491	S	S	.	.	H	α-helix	trans	-63	-47.2	173.4	0	0	0	0	0	110.8	E137 R138 T144 E145	E137-A141 WeakPolarHBondContact O-CB 3.4Å; E137-A141 PolarHBondContact O-N 3.25Å; R138-A141 PolarHBondContact O-N 2.83Å; A141-T144 PolarHBondContact O-N 3.44Å; A141-T144 PolarHBondContact O-OG1 3.45Å; A141-E145 WeakPolarHBondContact O-CB 3.47Å; A141-E145 PolarHBondContact O-N 3.49Å
142	N	91.7	Very high	91.4	Very high	97 Å²	97	92.6 Å²	92.6	52%	0.519	49%	0.486	S	S	.	.	H	α-helix	trans	-64.9	-40.5	175.8	-66.7	2.4	0	0	0	112	R138 S139 E145 M146	R138-N142 VanDerWaalsContact O-CG 3.27Å; R138-N142 PolarHBondContact O-N 2.72Å; R138-N142 PolarHBondContact O-OD1 3.31Å; S139-N142 PolarHBondContact O-N 2.84Å; N142-E145 PolarHBondContact O-N 3.09Å; N142-M146 WeakPolarHBondContact O-CB 3.27Å; N142-M146 VanDerWaalsContact O-CG 3.25Å; N142-M146 WeakPolarHBondContact O-CG 3.49Å; N142-M146 PolarHBondContact O-N 2.86Å
143	E	89.8	Confident	91.6	Very high	135 Å²	135	93.6 Å²	93.6	63%	0.631	49%	0.487	S	S	*	.	H	α-helix	trans	-62.4	-44.3	176.6	-175.9	-177.4	-174.8	0	0	111.5	S139 K140 M146 G147	S139-E143 VanDerWaalsContact O-CB 3.26Å; S139-E143 WeakPolarHBondContact O-CB 3.35Å; S139-E143 PolarHBondContact O-N 3.31Å; K140-E143 PolarHBondContact O-N 2.87Å; E143-M146 PolarHBondContact O-N 3.2Å; E143-G147 PolarHBondContact O-N 3.15Å
144	T	88.6	Confident	91.6	Very high	88 Å²	88	94.8 Å²	94.8	54%	0.54	50%	0.495	S	S	.	.	H	α-helix	trans	-70	-35.9	175.3	50.5	0	0	0	0	112.5	K140 A141 G147 N148	K140-T144 WeakPolarHBondContact O-CB 3.32Å; K140-T144 WeakPolarHBondContact O-CG2 3.44Å; K140-T144 PolarHBondContact O-N 2.94Å; K140-T144 PolarHBondContact O-OG1 2.93Å; A141-T144 PolarHBondContact O-N 3.44Å; A141-T144 PolarHBondContact O-OG1 3.45Å; T144-G147 PolarHBondContact O-N 3.08Å; T144-N148 WeakPolarHBondContact O-CB 3.43Å; T144-N148 PolarHBondContact O-N 3.26Å; T144-N148 PolarHBondContact O-ND2 2.99Å
145	E	93	Very high	91.7	Very high	95 Å²	95	94.8 Å²	94.8	44%	0.444	50%	0.502	S	S	.	.	H	α-helix	trans	-63.4	-44.7	172.5	-164.2	-163.6	156.4	0	0	111.7	A141 N142 N148 K149	A141-E145 WeakPolarHBondContact O-CB 3.47Å; A141-E145 PolarHBondContact O-N 3.49Å; N142-E145 PolarHBondContact O-N 3.09Å; E145-N148 PolarHBondContact O-N 3.43Å; E145-K149 WeakPolarHBondContact O-CG 3.45Å; E145-K149 PolarHBondContact O-N 3.19Å; E145-K149 WeakPolarHBondContact OE1-CE 3.39Å; E145-K149 IonicContact OE1-NZ 2.82Å; E145-K149 PolarHBondContact OE1-NZ 3.08Å
146	M	88.4	Confident	92	Very high	103 Å²	103	94 Å²	94	51%	0.507	50%	0.498	S	S	.	.	H	α-helix	trans	-68.5	-36.9	176.7	-68.3	-61.5	-70.9	0	0	111.7	N142 E143 K149 I150	N142-M146 WeakPolarHBondContact O-CB 3.27Å; N142-M146 VanDerWaalsContact O-CG 3.25Å; N142-M146 WeakPolarHBondContact O-CG 3.49Å; N142-M146 PolarHBondContact O-N 2.86Å; E143-M146 PolarHBondContact O-N 3.2Å; M146-K149 PolarHBondContact O-N 2.87Å; M146-K149 HydrophobicContact SD-CD 3.91Å; M146-I150 WeakPolarHBondContact O-CB 3.49Å; M146-I150 VanDerWaalsContact O-CG1 3.23Å; M146-I150 WeakPolarHBondContact O-CG1 3.34Å; M146-I150 PolarHBondContact O-N 3.39Å
147	G	93.4	Very high	92.1	Very high	29 Å²	29	95 Å²	95	30%	0.299	50%	0.504	S	S	.	.	H	α-helix	trans	-62.6	-38.6	171	0	0	0	0	0	113	E143 T144 I150 T151	E143-G147 PolarHBondContact O-N 3.15Å; T144-G147 PolarHBondContact O-N 3.08Å; G147-I150 PolarHBondContact O-N 2.73Å; G147-T151 WeakPolarHBondContact O-CB 3.12Å; G147-T151 WeakPolarHBondContact O-CG2 3.29Å; G147-T151 PolarHBondContact O-N 3.42Å; G147-T151 PolarHBondContact O-OG1 2.92Å
148	N	91.2	Very high	92.1	Very high	109 Å²	109	92 Å²	92	58%	0.583	50%	0.496	S	S	*	.	H	α-helix	trans	-68.1	-37.3	173.6	-69.7	-21.6	0	0	0	111.9	T144 E145 T151 S152	T144-N148 WeakPolarHBondContact O-CB 3.43Å; T144-N148 PolarHBondContact O-N 3.26Å; T144-N148 PolarHBondContact O-ND2 2.99Å; E145-N148 PolarHBondContact O-N 3.43Å; N148-T151 WeakPolarHBondContact CA-OG1 3.5Å; N148-T151 PolarHBondContact O-OG1 3Å; N148-S152 VanDerWaalsContact O-CB 3.22Å; N148-S152 WeakPolarHBondContact O-CB 3.35Å; N148-S152 PolarHBondContact O-N 3Å
149	K	94.2	Very high	92.2	Very high	94 Å²	94	89.2 Å²	89.2	41%	0.409	49%	0.49	S	S	.	.	H	α-helix	trans	-66.9	-45.1	172.5	-71.7	168.4	-174	168	0	111.9	E145 M146 S152 L153	E145-K149 WeakPolarHBondContact O-CG 3.45Å; E145-K149 PolarHBondContact O-N 3.19Å; E145-K149 WeakPolarHBondContact OE1-CE 3.39Å; E145-K149 IonicContact OE1-NZ 2.82Å; E145-K149 PolarHBondContact OE1-NZ 3.08Å; M146-K149 PolarHBondContact O-N 2.87Å; M146-K149 HydrophobicContact SD-CD 3.91Å; K149-S152 PolarHBondContact O-N 3.23Å; K149-L153 WeakPolarHBondContact O-CB 3.35Å; K149-L153 VanDerWaalsContact O-CG 3.29Å; K149-L153 WeakPolarHBondContact O-CG 3.27Å; K149-L153 PolarHBondContact O-N 3.34Å
150	I	93	Very high	92.4	Very high	100 Å²	100	90.8 Å²	90.8	51%	0.513	49%	0.492	S	S	.	.	H	α-helix	trans	-61.4	-49	177.4	-71.6	163.5	0	0	0	110.2	M146 G147 S152 L153 T154	M146-I150 WeakPolarHBondContact O-CB 3.49Å; M146-I150 VanDerWaalsContact O-CG1 3.23Å; M146-I150 WeakPolarHBondContact O-CG1 3.34Å; M146-I150 PolarHBondContact O-N 3.39Å; G147-I150 PolarHBondContact O-N 2.73Å; I150-S152 PolarHBondContact O-N 3.44Å; I150-L153 PolarHBondContact O-N 3.18Å; I150-T154 WeakPolarHBondContact O-CB 3.27Å; I150-T154 PolarHBondContact O-N 2.86Å; I150-T154 PolarHBondContact O-OG1 3.07Å
151	T	91.8	Very high	92.5	Very high	82 Å²	82	89.8 Å²	89.8	50%	0.503	49%	0.489	S	S	.	.	H	α-helix	trans	-64.2	-39.8	177.8	48	0	0	0	0	112.5	G147 N148 T154 V155	G147-T151 WeakPolarHBondContact O-CB 3.12Å; G147-T151 WeakPolarHBondContact O-CG2 3.29Å; G147-T151 PolarHBondContact O-N 3.42Å; G147-T151 PolarHBondContact O-OG1 2.92Å; N148-T151 WeakPolarHBondContact CA-OG1 3.5Å; N148-T151 PolarHBondContact O-OG1 3Å; T151-T154 PolarHBondContact O-N 3.28Å; T151-V155 WeakPolarHBondContact O-CG2 3.35Å; T151-V155 PolarHBondContact O-N 3.46Å
152	S	93.1	Very high	92.5	Very high	57 Å²	57	92.3 Å²	92.3	40%	0.399	50%	0.496	S	S	.	.	H	α-helix	trans	-61	-44.1	172.9	-177.2	0	0	0	0	112.7	N148 K149 I150 V155 Q156	N148-S152 VanDerWaalsContact O-CB 3.22Å; N148-S152 WeakPolarHBondContact O-CB 3.35Å; N148-S152 PolarHBondContact O-N 3Å; K149-S152 PolarHBondContact O-N 3.23Å; I150-S152 PolarHBondContact O-N 3.44Å; S152-V155 PolarHBondContact O-N 2.9Å; S152-Q156 WeakPolarHBondContact O-CG 3.36Å; S152-Q156 PolarHBondContact O-N 3.47Å; S152-Q156 PolarHBondContact O-NE2 3.1Å; S152-Q156 PolarHBondContact OG-NE2 3.5Å; S152-Q156 VanDerWaalsContact OG-NE2 3.14Å
153	L	93.1	Very high	92.6	Very high	97 Å²	97	92.6 Å²	92.6	51%	0.508	49%	0.494	S	S	.	.	H	α-helix	trans	-67.5	-38.5	175.9	-72	170	0	0	0	112.1	K149 I150 V155 Q156 L157	K149-L153 WeakPolarHBondContact O-CB 3.35Å; K149-L153 VanDerWaalsContact O-CG 3.29Å; K149-L153 WeakPolarHBondContact O-CG 3.27Å; K149-L153 PolarHBondContact O-N 3.34Å; I150-L153 PolarHBondContact O-N 3.18Å; L153-V155 VanDerWaalsContact C-N 3.35Å; L153-Q156 PolarHBondContact O-N 2.91Å; L153-L157 WeakPolarHBondContact O-CB 3.43Å; L153-L157 VanDerWaalsContact O-CG 3.28Å; L153-L157 WeakPolarHBondContact O-CG 3.4Å; L153-L157 PolarHBondContact O-N 3.03Å
154	T	93.9	Very high	92.8	Very high	85 Å²	85	90.6 Å²	90.6	52%	0.521	49%	0.487	S	S	.	.	H	α-helix	trans	-62.1	-41.5	173.4	-62.2	0	0	0	0	111.4	I150 T151 S158	I150-T154 WeakPolarHBondContact O-CB 3.27Å; I150-T154 PolarHBondContact O-N 2.86Å; I150-T154 PolarHBondContact O-OG1 3.07Å; T151-T154 PolarHBondContact O-N 3.28Å; T154-S158 WeakPolarHBondContact O-CB 3.42Å; T154-S158 PolarHBondContact O-N 3.18Å; T154-S158 PolarHBondContact O-OG 2.97Å
155	V	93.2	Very high	93.1	Very high	87 Å²	87	89.4 Å²	89.4	53%	0.527	48%	0.477	S	S	.	.	H	α-helix	trans	-64.1	-46.7	174.4	170.1	0	0	0	0	110.7	T151 S152 L153 L157 S158 Q159	T151-V155 WeakPolarHBondContact O-CG2 3.35Å; T151-V155 PolarHBondContact O-N 3.46Å; S152-V155 PolarHBondContact O-N 2.9Å; L153-V155 VanDerWaalsContact C-N 3.35Å; V155-L157 PolarHBondContact O-N 3.14Å; V155-S158 PolarHBondContact O-N 3.38Å; V155-S158 PolarHBondContact O-OG 2.92Å; V155-Q159 WeakPolarHBondContact O-CB 3.33Å; V155-Q159 PolarHBondContact O-N 2.92Å
156	Q	95.3	Very high	93.1	Very high	95 Å²	95	88.1 Å²	88.1	44%	0.444	48%	0.476	S	S	.	.	H	α-helix	trans	-61.9	-42.5	177	-72.4	172.3	56.4	0	0	112.7	S152 L153 Q159 L160	S152-Q156 WeakPolarHBondContact O-CG 3.36Å; S152-Q156 PolarHBondContact O-N 3.47Å; S152-Q156 PolarHBondContact O-NE2 3.1Å; S152-Q156 PolarHBondContact OG-NE2 3.5Å; S152-Q156 VanDerWaalsContact OG-NE2 3.14Å; L153-Q156 PolarHBondContact O-N 2.91Å; Q156-Q159 PolarHBondContact O-N 3.03Å; Q156-L160 WeakPolarHBondContact O-CB 3.41Å; Q156-L160 WeakPolarHBondContact O-CG 3.27Å; Q156-L160 PolarHBondContact O-N 3.13Å
157	L	92.4	Very high	93.3	Very high	118 Å²	118	87 Å²	87	62%	0.618	48%	0.478	S	S	*	.	H	α-helix	trans	-63.9	-41.8	174.7	-73.8	170.7	0	0	0	111.5	L153 V155 Q159 L160 Q161	L153-L157 WeakPolarHBondContact O-CB 3.43Å; L153-L157 VanDerWaalsContact O-CG 3.28Å; L153-L157 WeakPolarHBondContact O-CG 3.4Å; L153-L157 PolarHBondContact O-N 3.03Å; V155-L157 PolarHBondContact O-N 3.14Å; L157-Q159 VanDerWaalsContact C-N 3.34Å; L157-Q159 PolarHBondContact O-N 3.03Å; L157-L160 PolarHBondContact O-N 2.83Å; L157-Q161 VanDerWaalsContact O-CB 3.29Å; L157-Q161 WeakPolarHBondContact O-CB 3.25Å; L157-Q161 PolarHBondContact O-N 2.69Å
158	S	92.3	Very high	93.4	Very high	57 Å²	57	89.4 Å²	89.4	40%	0.399	48%	0.483	S	S	.	.	H	α-helix	trans	-67	-34.6	175.4	74.8	0	0	0	0	112.4	T154 V155 N162	T154-S158 WeakPolarHBondContact O-CB 3.42Å; T154-S158 PolarHBondContact O-N 3.18Å; T154-S158 PolarHBondContact O-OG 2.97Å; V155-S158 PolarHBondContact O-N 3.38Å; V155-S158 PolarHBondContact O-OG 2.92Å; S158-N162 WeakPolarHBondContact O-CB 3.43Å; S158-N162 PolarHBondContact O-N 2.98Å; S158-N162 PolarHBondContact O-ND2 2.88Å
159	Q	93.9	Very high	93.5	Very high	108 Å²	108	88.8 Å²	88.8	51%	0.505	48%	0.48	S	S	.	.	H	α-helix	trans	-68.8	-44.8	175.3	-176.9	175.8	-3.5	0	0	111.3	V155 Q156 L157 Q161 N162 Q163	V155-Q159 WeakPolarHBondContact O-CB 3.33Å; V155-Q159 PolarHBondContact O-N 2.92Å; Q156-Q159 PolarHBondContact O-N 3.03Å; L157-Q159 VanDerWaalsContact C-N 3.34Å; L157-Q159 PolarHBondContact O-N 3.03Å; Q159-Q161 VanDerWaalsContact C-N 3.35Å; Q159-N162 PolarHBondContact O-N 3.39Å; Q159-Q163 WeakPolarHBondContact O-CB 3.43Å; Q159-Q163 VanDerWaalsContact O-CG 3.31Å; Q159-Q163 WeakPolarHBondContact O-CG 3.26Å; Q159-Q163 PolarHBondContact O-N 3.38Å
160	L	93.7	Very high	93.5	Very high	106 Å²	106	92 Å²	92	56%	0.555	49%	0.491	S	S	*	.	H	α-helix	trans	-63.7	-38.8	174.7	-74.4	168.5	0	0	0	111.9	Q156 L157 Q163 L164	Q156-L160 WeakPolarHBondContact O-CB 3.41Å; Q156-L160 WeakPolarHBondContact O-CG 3.27Å; Q156-L160 PolarHBondContact O-N 3.13Å; L157-L160 PolarHBondContact O-N 2.83Å; L160-Q163 PolarHBondContact O-N 3.04Å; L160-L164 WeakPolarHBondContact O-CB 2.97Å; L160-L164 PolarHBondContact O-N 3.45Å
161	Q	94.8	Very high	93.6	Very high	93 Å²	93	92.7 Å²	92.7	44%	0.435	49%	0.49	S	S	.	.	H	α-helix	trans	-63.9	-49.2	174.4	-177.3	59.2	44.7	0	0	111.2	L157 Q159 Q163 L164 D165	L157-Q161 VanDerWaalsContact O-CB 3.29Å; L157-Q161 WeakPolarHBondContact O-CB 3.25Å; L157-Q161 PolarHBondContact O-N 2.69Å; Q159-Q161 VanDerWaalsContact C-N 3.35Å; Q161-Q163 VanDerWaalsContact C-N 3.28Å; Q161-Q163 PolarHBondContact O-N 3.31Å; Q161-L164 WeakPolarHBondContact O-CB 3.4Å; Q161-L164 PolarHBondContact O-N 2.74Å; Q161-L164 VanDerWaalsContact O-N 3.11Å; Q161-D165 PolarHBondContact NE2-OD1 2.93Å; Q161-D165 PolarHBondContact NE2-OD2 3Å; Q161-D165 PolarHBondContact O-N 3.31Å
162	N	92	Very high	93.7	Very high	104 Å²	104	92.6 Å²	92.6	56%	0.556	49%	0.49	S	S	*	.	H	α-helix	trans	-59.8	-37.9	175.1	-81.5	-79.9	0	0	0	112.1	S158 Q159 V166	S158-N162 WeakPolarHBondContact O-CB 3.43Å; S158-N162 PolarHBondContact O-N 2.98Å; S158-N162 PolarHBondContact O-ND2 2.88Å; Q159-N162 PolarHBondContact O-N 3.39Å; N162-V166 WeakPolarHBondContact O-CB 3.4Å; N162-V166 VanDerWaalsContact O-CG2 3.23Å; N162-V166 WeakPolarHBondContact O-CG2 3.44Å; N162-V166 PolarHBondContact O-N 3.35Å
163	Q	94	Very high	93.8	Very high	103 Å²	103	94.7 Å²	94.7	48%	0.481	50%	0.497	S	S	.	.	H	α-helix	trans	-67.2	-39	174.5	-76	176.1	-22.2	0	0	112.3	Q159 L160 Q161 C167	Q159-Q163 WeakPolarHBondContact O-CB 3.43Å; Q159-Q163 VanDerWaalsContact O-CG 3.31Å; Q159-Q163 WeakPolarHBondContact O-CG 3.26Å; Q159-Q163 PolarHBondContact O-N 3.38Å; L160-Q163 PolarHBondContact O-N 3.04Å; Q161-Q163 VanDerWaalsContact C-N 3.28Å; Q161-Q163 PolarHBondContact O-N 3.31Å; Q163-C167 WeakPolarHBondContact O-CB 3.42Å; Q163-C167 PolarHBondContact O-N 2.98Å; Q163-C167 PolarHBondContact O-SG 2.88Å; Q163-C167 VanDerWaalsContact O-SG 3.32Å
164	L	93.9	Very high	93.9	Very high	92 Å²	92	97 Å²	97	48%	0.482	50%	0.499	S	S	.	.	H	α-helix	trans	-64.5	-44.8	174.5	-179.7	61.5	0	0	0	111.2	L160 Q161 C167 N168	L160-L164 WeakPolarHBondContact O-CB 2.97Å; L160-L164 PolarHBondContact O-N 3.45Å; Q161-L164 WeakPolarHBondContact O-CB 3.4Å; Q161-L164 PolarHBondContact O-N 2.74Å; Q161-L164 VanDerWaalsContact O-N 3.11Å; L164-C167 PolarHBondContact O-N 3.47Å; L164-N168 WeakPolarHBondContact O-CB 3.46Å; L164-N168 PolarHBondContact O-N 3.23Å; L164-N168 PolarHBondContact O-ND2 2.95Å
165	D	94.2	Very high	94	Very high	63 Å²	63	96.1 Å²	96.1	34%	0.337	49%	0.491	S	S	.	.	H	α-helix	trans	-66.8	-38.2	178.3	-66.2	-34.1	0	0	0	111.9	Q161 N168 N169	Q161-D165 PolarHBondContact NE2-OD1 2.93Å; Q161-D165 PolarHBondContact NE2-OD2 3Å; Q161-D165 PolarHBondContact O-N 3.31Å; D165-N168 PolarHBondContact O-N 2.9Å; D165-N169 WeakPolarHBondContact O-CB 3.46Å; D165-N169 PolarHBondContact O-N 3.18Å; D165-N169 PolarHBondContact O-ND2 3.19Å
166	V	94.5	Very high	94	Very high	68 Å²	68	94.8 Å²	94.8	41%	0.412	49%	0.486	S	S	.	.	H	α-helix	trans	-64.1	-42.2	170.9	166	0	0	0	0	111.7	N162 N169 Y170	N162-V166 WeakPolarHBondContact O-CB 3.4Å; N162-V166 VanDerWaalsContact O-CG2 3.23Å; N162-V166 WeakPolarHBondContact O-CG2 3.44Å; N162-V166 PolarHBondContact O-N 3.35Å; V166-N169 PolarHBondContact O-N 3.4Å; V166-Y170 HydrophobicContact CG1-CD2 3.75Å; V166-Y170 HydrophobicContact CG1-CE2 3.35Å; V166-Y170 VanDerWaalsContact O-CD2 3.26Å; V166-Y170 WeakPolarHBondContact O-CD2 3.38Å; V166-Y170 PolarHBondContact O-N 3.25Å
167	C	92.5	Very high	94	Very high	81 Å²	81	95.4 Å²	95.4	55%	0.547	49%	0.492	S	S	.	.	H	α-helix	trans	-64.8	-37	173.8	-77	0	0	0	0	112.7	Q163 L164 K171	Q163-C167 WeakPolarHBondContact O-CB 3.42Å; Q163-C167 PolarHBondContact O-N 2.98Å; Q163-C167 PolarHBondContact O-SG 2.88Å; Q163-C167 VanDerWaalsContact O-SG 3.32Å; L164-C167 PolarHBondContact O-N 3.47Å; C167-K171 WeakPolarHBondContact O-CB 3.16Å; C167-K171 PolarHBondContact O-N 3.38Å
168	N	94.1	Very high	94.2	Very high	78 Å²	78	94 Å²	94	42%	0.417	48%	0.484	S	S	.	.	H	α-helix	trans	-64.4	-45.3	174.4	-71.1	-29.6	0	0	0	110.8	L164 D165 K171 T172	L164-N168 WeakPolarHBondContact O-CB 3.46Å; L164-N168 PolarHBondContact O-N 3.23Å; L164-N168 PolarHBondContact O-ND2 2.95Å; D165-N168 PolarHBondContact O-N 2.9Å; N168-K171 PolarHBondContact O-N 2.93Å; N168-K171 VanDerWaalsContact O-N 3.14Å; N168-T172 PolarHBondContact O-N 2.9Å; N168-T172 PolarHBondContact O-OG1 3.39Å
169	N	93.9	Very high	94.4	Very high	97 Å²	97	95.4 Å²	95.4	52%	0.519	49%	0.486	S	S	.	.	H	α-helix	trans	-60.5	-47.9	175.9	-68.3	-18.8	0	0	0	111.5	D165 V166 K171 T172 D173	D165-N169 WeakPolarHBondContact O-CB 3.46Å; D165-N169 PolarHBondContact O-N 3.18Å; D165-N169 PolarHBondContact O-ND2 3.19Å; V166-N169 PolarHBondContact O-N 3.4Å; N169-K171 PolarHBondContact O-N 3.49Å; N169-T172 WeakPolarHBondContact CA-OG1 3.32Å; N169-T172 PolarHBondContact O-N 2.84Å; N169-T172 VanDerWaalsContact O-N 3.15Å; N169-T172 PolarHBondContact O-OG1 2.83Å; N169-D173 WeakPolarHBondContact O-CB 3.12Å; N169-D173 VanDerWaalsContact O-CG 3.27Å; N169-D173 PolarHBondContact O-N 2.69Å
170	Y	93.9	Very high	94.5	Very high	160 Å²	160	95.3 Å²	95.3	63%	0.627	49%	0.486	S	S	*	.	H	α-helix	trans	-61.4	-32.1	174.7	-71.9	-45.6	0	0	0	112.9	V166 Y174	V166-Y170 HydrophobicContact CG1-CD2 3.75Å; V166-Y170 HydrophobicContact CG1-CE2 3.35Å; V166-Y170 VanDerWaalsContact O-CD2 3.26Å; V166-Y170 WeakPolarHBondContact O-CD2 3.38Å; V166-Y170 PolarHBondContact O-N 3.25Å; Y170-Y174 VanDerWaalsContact O-CB 3.28Å; Y170-Y174 WeakPolarHBondContact O-CB 3.45Å; Y170-Y174 PolarHBondContact O-N 3.3Å
171	K	95.6	Very high	94.6	Very high	115 Å²	115	95.7 Å²	95.7	50%	0.5	49%	0.485	S	S	.	.	H	α-helix	trans	-69.8	-44.2	172.6	176.6	157.9	172.5	45.8	0	112	C167 N168 N169 D173 Y174 D175	C167-K171 WeakPolarHBondContact O-CB 3.16Å; C167-K171 PolarHBondContact O-N 3.38Å; N168-K171 PolarHBondContact O-N 2.93Å; N168-K171 VanDerWaalsContact O-N 3.14Å; N169-K171 PolarHBondContact O-N 3.49Å; K171-D173 VanDerWaalsContact C-N 3.31Å; K171-D173 PolarHBondContact O-N 3.11Å; K171-Y174 PolarHBondContact O-N 2.68Å; K171-D175 WeakPolarHBondContact CE-OD2 3.24Å; K171-D175 WeakPolarHBondContact CG-OD2 3.47Å; K171-D175 IonicContact NZ-OD1 2.74Å; K171-D175 PolarHBondContact NZ-OD1 3.23Å; K171-D175 IonicContact NZ-OD2 3.67Å; K171-D175 PolarHBondContact NZ-OD2 3.09Å; K171-D175 WeakPolarHBondContact O-CB 3.42Å; K171-D175 PolarHBondContact O-N 3.44Å
172	T	93.7	Very high	94.7	Very high	81 Å²	81	97.9 Å²	97.9	50%	0.497	49%	0.493	S	S	.	.	H	α-helix	trans	-65	-36.4	176.5	49.5	0	0	0	0	112.1	N168 N169 S176	N168-T172 PolarHBondContact O-N 2.9Å; N168-T172 PolarHBondContact O-OG1 3.39Å; N169-T172 WeakPolarHBondContact CA-OG1 3.32Å; N169-T172 PolarHBondContact O-N 2.84Å; N169-T172 VanDerWaalsContact O-N 3.15Å; N169-T172 PolarHBondContact O-OG1 2.83Å; T172-S176 WeakPolarHBondContact O-CB 3.37Å; T172-S176 PolarHBondContact O-N 3Å
173	D	95.4	Very high	94.9	Very high	101 Å²	101	97.5 Å²	97.5	54%	0.54	49%	0.49	S	S	.	.	H	α-helix	trans	-66.1	-42.2	174.3	-69.8	-16	0	0	0	111.2	N169 K171 L177	N169-D173 WeakPolarHBondContact O-CB 3.12Å; N169-D173 VanDerWaalsContact O-CG 3.27Å; N169-D173 PolarHBondContact O-N 2.69Å; K171-D173 VanDerWaalsContact C-N 3.31Å; K171-D173 PolarHBondContact O-N 3.11Å; D173-L177 VanDerWaalsContact O-CB 3.22Å; D173-L177 WeakPolarHBondContact O-CB 3.24Å; D173-L177 PolarHBondContact O-N 3.37Å
174	Y	94.4	Very high	95	Very high	144 Å²	144	97.7 Å²	97.7	57%	0.565	49%	0.494	S	S	*	.	H	α-helix	trans	-65.7	-46.3	175.8	-177.9	-94.3	0	0	0	112.4	Y170 K171 S176 L177 M178	Y170-Y174 VanDerWaalsContact O-CB 3.28Å; Y170-Y174 WeakPolarHBondContact O-CB 3.45Å; Y170-Y174 PolarHBondContact O-N 3.3Å; K171-Y174 PolarHBondContact O-N 2.68Å; Y174-S176 VanDerWaalsContact C-N 3.34Å; Y174-S176 PolarHBondContact O-N 3.48Å; Y174-L177 PolarHBondContact O-N 2.81Å; Y174-M178 HydrophobicContact CD1-CG 4.01Å; Y174-M178 HydrophobicContact CE1-CG 3.59Å; Y174-M178 HydrophobicContact CE1-SD 4.42Å; Y174-M178 HydrophobicContact CE2-CG 4.26Å; Y174-M178 WeakPolarHBondContact O-CB 3.45Å; Y174-M178 VanDerWaalsContact O-CG 3.27Å; Y174-M178 WeakPolarHBondContact O-CG 3.32Å; Y174-M178 PolarHBondContact O-N 3.41Å
175	D	95.6	Very high	95.2	Very high	67 Å²	67	98.6 Å²	98.6	36%	0.358	49%	0.494	S	S	.	.	H	α-helix	trans	-62.6	-42.9	178	-66.2	-21.6	0	0	0	110.5	K171 M178 D179	K171-D175 WeakPolarHBondContact CE-OD2 3.24Å; K171-D175 WeakPolarHBondContact CG-OD2 3.47Å; K171-D175 IonicContact NZ-OD1 2.74Å; K171-D175 PolarHBondContact NZ-OD1 3.23Å; K171-D175 IonicContact NZ-OD2 3.67Å; K171-D175 PolarHBondContact NZ-OD2 3.09Å; K171-D175 WeakPolarHBondContact O-CB 3.42Å; K171-D175 PolarHBondContact O-N 3.44Å; D175-M178 PolarHBondContact O-N 3.42Å; D175-D179 PolarHBondContact O-N 2.86Å
176	S	95.1	Very high	95.3	Very high	60 Å²	60	98.2 Å²	98.2	42%	0.42	50%	0.496	S	S	.	.	H	α-helix	trans	-60.8	-46.3	173.8	180	0	0	0	0	112.4	T172 Y174 M178 D179 Q180	T172-S176 WeakPolarHBondContact O-CB 3.37Å; T172-S176 PolarHBondContact O-N 3Å; Y174-S176 VanDerWaalsContact C-N 3.34Å; Y174-S176 PolarHBondContact O-N 3.48Å; S176-M178 VanDerWaalsContact C-N 3.32Å; S176-M178 PolarHBondContact O-N 3Å; S176-D179 PolarHBondContact O-N 3.31Å; S176-Q180 WeakPolarHBondContact O-CB 3.26Å; S176-Q180 WeakPolarHBondContact O-CG 3.43Å; S176-Q180 PolarHBondContact O-N 3.41Å
177	L	95.4	Very high	95.4	Very high	107 Å²	107	100.2 Å²	100.2	56%	0.56	50%	0.501	S	S	*	.	H	α-helix	trans	-65.8	-34.6	177.4	-176.2	62.9	0	0	0	112	D173 Y174 H181	D173-L177 VanDerWaalsContact O-CB 3.22Å; D173-L177 WeakPolarHBondContact O-CB 3.24Å; D173-L177 PolarHBondContact O-N 3.37Å; Y174-L177 PolarHBondContact O-N 2.81Å; L177-H181 VanDerWaalsContact O-CB 3.28Å; L177-H181 WeakPolarHBondContact O-CB 3.42Å; L177-H181 PolarHBondContact O-N 2.97Å
178	M	95.7	Very high	95.6	Very high	90 Å²	90	101.2 Å²	101.2	44%	0.443	50%	0.5	S	S	.	.	H	α-helix	trans	-68.5	-41.3	174.9	-77.9	-64.1	-64.8	0	0	112.3	Y174 D175 S176 H181 K182	Y174-M178 HydrophobicContact CD1-CG 4.01Å; Y174-M178 HydrophobicContact CE1-CG 3.59Å; Y174-M178 HydrophobicContact CE1-SD 4.42Å; Y174-M178 HydrophobicContact CE2-CG 4.26Å; Y174-M178 WeakPolarHBondContact O-CB 3.45Å; Y174-M178 VanDerWaalsContact O-CG 3.27Å; Y174-M178 WeakPolarHBondContact O-CG 3.32Å; Y174-M178 PolarHBondContact O-N 3.41Å; D175-M178 PolarHBondContact O-N 3.42Å; S176-M178 VanDerWaalsContact C-N 3.32Å; S176-M178 PolarHBondContact O-N 3Å; M178-H181 PolarHBondContact O-N 3.4Å; M178-K182 VanDerWaalsContact O-CB 3.26Å; M178-K182 WeakPolarHBondContact O-CB 3.28Å; M178-K182 PolarHBondContact O-N 2.96Å
179	D	95.8	Very high	95.7	Very high	86 Å²	86	102.3 Å²	102.3	46%	0.46	50%	0.502	S	S	.	.	H	α-helix	trans	-69	-38.3	173	-91.1	-29.6	0	0	0	111.7	D175 S176 K182 I183	D175-D179 PolarHBondContact O-N 2.86Å; S176-D179 PolarHBondContact O-N 3.31Å; D179-K182 PolarHBondContact O-N 2.87Å; D179-K182 IonicContact OD1-NZ 2.71Å; D179-K182 PolarHBondContact OD1-NZ 3.24Å; D179-I183 WeakPolarHBondContact O-CB 3.31Å; D179-I183 WeakPolarHBondContact O-CD1 3.41Å; D179-I183 VanDerWaalsContact O-CG1 3.25Å; D179-I183 WeakPolarHBondContact O-CG1 3.31Å; D179-I183 PolarHBondContact O-N 2.88Å
180	Q	96.3	Very high	95.8	Very high	105 Å²	105	102.4 Å²	102.4	49%	0.491	50%	0.503	S	S	.	.	H	α-helix	trans	-59.9	-46.7	170.8	-74	179	20.2	0	0	111.8	S176 K182 I183 L184	S176-Q180 WeakPolarHBondContact O-CB 3.26Å; S176-Q180 WeakPolarHBondContact O-CG 3.43Å; S176-Q180 PolarHBondContact O-N 3.41Å; Q180-K182 VanDerWaalsContact C-N 3.32Å; Q180-K182 PolarHBondContact O-N 3.45Å; Q180-I183 PolarHBondContact O-N 3.43Å; Q180-L184 WeakPolarHBondContact O-CB 3.3Å; Q180-L184 VanDerWaalsContact O-CG 3.32Å; Q180-L184 WeakPolarHBondContact O-CG 3.42Å; Q180-L184 PolarHBondContact O-N 2.94Å
181	H	95.6	Very high	95.9	Very high	114 Å²	114	101 Å²	101	53%	0.528	50%	0.502	S	S	.	.	H	α-helix	trans	-62	-38.8	176.7	175.5	-97.3	0	0	0	112.1	L177 M178 K185	L177-H181 VanDerWaalsContact O-CB 3.28Å; L177-H181 WeakPolarHBondContact O-CB 3.42Å; L177-H181 PolarHBondContact O-N 2.97Å; M178-H181 PolarHBondContact O-N 3.4Å; H181-K185 WeakPolarHBondContact O-CB 3.14Å; H181-K185 PolarHBondContact O-N 3.43Å
182	K	96.6	Very high	95.9	Very high	140 Å²	140	98.9 Å²	98.9	61%	0.609	50%	0.499	S	S	*	.	H	α-helix	trans	-66.2	-40.4	174.9	178.5	-176	169.8	-165.1	0	112.4	M178 D179 Q180 S186	M178-K182 VanDerWaalsContact O-CB 3.26Å; M178-K182 WeakPolarHBondContact O-CB 3.28Å; M178-K182 PolarHBondContact O-N 2.96Å; D179-K182 PolarHBondContact O-N 2.87Å; D179-K182 IonicContact OD1-NZ 2.71Å; D179-K182 PolarHBondContact OD1-NZ 3.24Å; Q180-K182 VanDerWaalsContact C-N 3.32Å; Q180-K182 PolarHBondContact O-N 3.45Å; K182-S186 WeakPolarHBondContact O-CB 3.32Å; K182-S186 PolarHBondContact O-N 3.4Å
183	I	96.8	Very high	96.1	Very high	96 Å²	96	100.3 Å²	100.3	49%	0.492	50%	0.503	S	S	.	.	H	α-helix	trans	-64.8	-51.4	173.7	-70.1	163	0	0	0	110.3	D179 Q180 K185 S186 Q187	D179-I183 WeakPolarHBondContact O-CB 3.31Å; D179-I183 WeakPolarHBondContact O-CD1 3.41Å; D179-I183 VanDerWaalsContact O-CG1 3.25Å; D179-I183 WeakPolarHBondContact O-CG1 3.31Å; D179-I183 PolarHBondContact O-N 2.88Å; Q180-I183 PolarHBondContact O-N 3.43Å; I183-K185 VanDerWaalsContact C-N 3.33Å; I183-K185 PolarHBondContact O-N 3.06Å; I183-S186 PolarHBondContact O-N 3.02Å; I183-S186 VanDerWaalsContact O-N 3.17Å; I183-Q187 HydrophobicContact CG2-CG 4.39Å; I183-Q187 WeakPolarHBondContact O-CB 3.41Å; I183-Q187 WeakPolarHBondContact O-CG 3.47Å; I183-Q187 PolarHBondContact O-N 3.2Å
184	L	96.5	Very high	96.1	Very high	107 Å²	107	100.5 Å²	100.5	56%	0.56	50%	0.504	S	S	*	.	H	α-helix	trans	-59.9	-41.6	178.8	-73.4	167.8	0	0	0	112	Q180 Q187 L188	Q180-L184 WeakPolarHBondContact O-CB 3.3Å; Q180-L184 VanDerWaalsContact O-CG 3.32Å; Q180-L184 WeakPolarHBondContact O-CG 3.42Å; Q180-L184 PolarHBondContact O-N 2.94Å; L184-Q187 PolarHBondContact O-N 2.95Å; L184-L188 WeakPolarHBondContact O-CB 3.46Å; L184-L188 PolarHBondContact O-N 3.4Å
185	K	97.5	Very high	96.3	Very high	111 Å²	111	99.4 Å²	99.4	48%	0.483	50%	0.503	S	S	.	.	H	α-helix	trans	-61.9	-46.7	174.3	177.3	171.6	171.6	174.7	0	111.5	H181 I183 Q187 L188 E189	H181-K185 WeakPolarHBondContact O-CB 3.14Å; H181-K185 PolarHBondContact O-N 3.43Å; I183-K185 VanDerWaalsContact C-N 3.33Å; I183-K185 PolarHBondContact O-N 3.06Å; K185-Q187 VanDerWaalsContact C-N 3.32Å; K185-Q187 PolarHBondContact O-N 3.39Å; K185-L188 PolarHBondContact O-N 2.9Å; K185-E189 WeakPolarHBondContact CE-OE1 3.39Å; K185-E189 HydrophobicContact CG-CG 4.49Å; K185-E189 IonicContact NZ-OE1 3.13Å; K185-E189 WeakPolarHBondContact O-CB 3.33Å; K185-E189 WeakPolarHBondContact O-CG 3.47Å; K185-E189 PolarHBondContact O-N 3.32Å
186	S	96.4	Very high	96.3	Very high	55 Å²	55	99.5 Å²	99.5	39%	0.385	51%	0.506	S	S	.	.	H	α-helix	trans	-65.3	-35.6	177	-173.7	0	0	0	0	112.2	K182 I183 E189 N190	K182-S186 WeakPolarHBondContact O-CB 3.32Å; K182-S186 PolarHBondContact O-N 3.4Å; I183-S186 PolarHBondContact O-N 3.02Å; I183-S186 VanDerWaalsContact O-N 3.17Å; S186-E189 PolarHBondContact O-N 3.31Å; S186-N190 WeakPolarHBondContact O-CB 3.26Å; S186-N190 VanDerWaalsContact O-CG 3.31Å; S186-N190 PolarHBondContact O-N 2.98Å; S186-N190 PolarHBondContact O-ND2 2.73Å
187	Q	97	Very high	96.4	Very high	110 Å²	110	99.3 Å²	99.3	51%	0.514	50%	0.501	S	S	.	.	H	α-helix	trans	-63.1	-45.2	173	-74.9	171.5	-26.5	0	0	111.4	I183 L184 K185 N190 E191	I183-Q187 HydrophobicContact CG2-CG 4.39Å; I183-Q187 WeakPolarHBondContact O-CB 3.41Å; I183-Q187 WeakPolarHBondContact O-CG 3.47Å; I183-Q187 PolarHBondContact O-N 3.2Å; L184-Q187 PolarHBondContact O-N 2.95Å; K185-Q187 VanDerWaalsContact C-N 3.32Å; K185-Q187 PolarHBondContact O-N 3.39Å; Q187-N190 PolarHBondContact O-N 3.03Å; Q187-E191 WeakPolarHBondContact O-CB 3.27Å; Q187-E191 PolarHBondContact O-N 2.95Å
188	L	96.5	Very high	96.4	Very high	101 Å²	101	97.6 Å²	97.6	53%	0.529	49%	0.494	S	S	.	.	H	α-helix	trans	-64.3	-39.7	175.9	-178.5	64.2	0	0	0	112.7	L184 K185 E191 T192	L184-L188 WeakPolarHBondContact O-CB 3.46Å; L184-L188 PolarHBondContact O-N 3.4Å; K185-L188 PolarHBondContact O-N 2.9Å; L188-E191 PolarHBondContact O-N 3.43Å; L188-T192 HydrophobicContact CD1-CG2 4.2Å; L188-T192 WeakPolarHBondContact O-CB 3.39Å; L188-T192 WeakPolarHBondContact O-CG2 3.27Å; L188-T192 PolarHBondContact O-N 2.83Å; L188-T192 PolarHBondContact O-OG1 2.79Å
189	E	96.3	Very high	96.4	Very high	101 Å²	101	99.4 Å²	99.4	47%	0.472	50%	0.5	S	S	.	.	H	α-helix	trans	-64.2	-40	174.6	-73.5	169.8	165.9	0	0	111.5	K185 S186 T192 L193	K185-E189 WeakPolarHBondContact CE-OE1 3.39Å; K185-E189 HydrophobicContact CG-CG 4.49Å; K185-E189 IonicContact NZ-OE1 3.13Å; K185-E189 WeakPolarHBondContact O-CB 3.33Å; K185-E189 WeakPolarHBondContact O-CG 3.47Å; K185-E189 PolarHBondContact O-N 3.32Å; S186-E189 PolarHBondContact O-N 3.31Å; E189-T192 PolarHBondContact O-OG1 3.22Å; E189-L193 WeakPolarHBondContact O-CB 3.36Å; E189-L193 PolarHBondContact O-N 3Å; E189-L193 VanDerWaalsContact O-N 3.12Å
190	N	96.6	Very high	96.5	Very high	99 Å²	99	99.8 Å²	99.8	53%	0.529	50%	0.502	S	S	.	.	H	α-helix	trans	-70.8	-39.5	174.3	-73.7	-53	0	0	0	112.9	S186 Q187 L193 L194	S186-N190 WeakPolarHBondContact O-CB 3.26Å; S186-N190 VanDerWaalsContact O-CG 3.31Å; S186-N190 PolarHBondContact O-N 2.98Å; S186-N190 PolarHBondContact O-ND2 2.73Å; Q187-N190 PolarHBondContact O-N 3.03Å; N190-L193 PolarHBondContact O-N 2.95Å; N190-L194 WeakPolarHBondContact O-CB 3.43Å; N190-L194 PolarHBondContact O-N 3.09Å
191	E	95.6	Very high	96.5	Very high	131 Å²	131	100.7 Å²	100.7	61%	0.612	50%	0.504	S	S	*	.	H	α-helix	trans	-65.5	-44.9	177.3	-172.4	-171.4	160.4	0	0	111.1	Q187 L188 L193 L194 H195	Q187-E191 WeakPolarHBondContact O-CB 3.27Å; Q187-E191 PolarHBondContact O-N 2.95Å; L188-E191 PolarHBondContact O-N 3.43Å; E191-L193 VanDerWaalsContact C-N 3.33Å; E191-L193 PolarHBondContact O-N 2.66Å; E191-L194 PolarHBondContact O-N 3.39Å; E191-H195 VanDerWaalsContact O-CB 3.28Å; E191-H195 WeakPolarHBondContact O-CB 3.34Å; E191-H195 PolarHBondContact O-N 2.96Å
192	T	95.9	Very high	96.6	Very high	70 Å²	70	100.5 Å²	100.5	43%	0.429	51%	0.507	S	S	.	.	H	α-helix	trans	-67.2	-33.3	177.6	50.3	0	0	0	0	112.5	L188 E189 T196	L188-T192 HydrophobicContact CD1-CG2 4.2Å; L188-T192 WeakPolarHBondContact O-CB 3.39Å; L188-T192 WeakPolarHBondContact O-CG2 3.27Å; L188-T192 PolarHBondContact O-N 2.83Å; L188-T192 PolarHBondContact O-OG1 2.79Å; E189-T192 PolarHBondContact O-OG1 3.22Å; T192-T196 WeakPolarHBondContact O-CB 3.2Å; T192-T196 WeakPolarHBondContact O-CG2 3.39Å; T192-T196 PolarHBondContact O-N 3.17Å; T192-T196 PolarHBondContact O-OG1 3.45Å
193	L	96.5	Very high	96.6	Very high	112 Å²	112	98 Å²	98	59%	0.586	50%	0.499	S	S	*	.	H	α-helix	trans	-64.6	-47.9	169.2	-171.3	156.3	0	0	0	111.4	E189 N190 E191 H195 T196 D197	E189-L193 WeakPolarHBondContact O-CB 3.36Å; E189-L193 PolarHBondContact O-N 3Å; E189-L193 VanDerWaalsContact O-N 3.12Å; N190-L193 PolarHBondContact O-N 2.95Å; E191-L193 VanDerWaalsContact C-N 3.33Å; E191-L193 PolarHBondContact O-N 2.66Å; L193-H195 PolarHBondContact O-N 2.82Å; L193-T196 WeakPolarHBondContact CA-OG1 3.2Å; L193-T196 PolarHBondContact O-N 3.48Å; L193-T196 PolarHBondContact O-OG1 2.79Å; L193-D197 WeakPolarHBondContact O-CB 3.41Å; L193-D197 PolarHBondContact O-N 2.72Å
194	L	96.9	Very high	96.6	Very high	105 Å²	105	96.4 Å²	96.4	55%	0.55	49%	0.494	S	S	.	.	H	α-helix	trans	-64.4	-38.9	178.2	-178.1	62.1	0	0	0	112.4	N190 E191 T198	N190-L194 WeakPolarHBondContact O-CB 3.43Å; N190-L194 PolarHBondContact O-N 3.09Å; E191-L194 PolarHBondContact O-N 3.39Å; L194-T198 HydrophobicContact CD1-CG2 4.22Å; L194-T198 WeakPolarHBondContact O-CB 3.42Å; L194-T198 WeakPolarHBondContact O-CG2 3.37Å; L194-T198 PolarHBondContact O-N 2.9Å; L194-T198 PolarHBondContact O-OG1 3.08Å
195	H	96.9	Very high	96.6	Very high	121 Å²	121	93.8 Å²	93.8	56%	0.56	49%	0.488	S	S	*	.	H	α-helix	trans	-66.2	-39.5	175.4	175.4	-101.8	0	0	0	112	E191 L193 T198 K199	E191-H195 VanDerWaalsContact O-CB 3.28Å; E191-H195 WeakPolarHBondContact O-CB 3.34Å; E191-H195 PolarHBondContact O-N 2.96Å; L193-H195 PolarHBondContact O-N 2.82Å; H195-T198 WeakPolarHBondContact CA-OG1 3.44Å; H195-T198 PolarHBondContact O-OG1 3.45Å; H195-K199 WeakPolarHBondContact O-CB 3.26Å; H195-K199 PolarHBondContact O-N 2.95Å
196	T	97	Very high	96.6	Very high	69 Å²	69	92.7 Å²	92.7	42%	0.423	49%	0.487	S	S	.	.	H	α-helix	trans	-72.2	-40.2	176.2	47.5	0	0	0	0	112.3	T192 L193 K199 N200	T192-T196 WeakPolarHBondContact O-CB 3.2Å; T192-T196 WeakPolarHBondContact O-CG2 3.39Å; T192-T196 PolarHBondContact O-N 3.17Å; T192-T196 PolarHBondContact O-OG1 3.45Å; L193-T196 WeakPolarHBondContact CA-OG1 3.2Å; L193-T196 PolarHBondContact O-N 3.48Å; L193-T196 PolarHBondContact O-OG1 2.79Å; T196-K199 PolarHBondContact O-N 3.22Å; T196-N200 WeakPolarHBondContact O-CB 3.34Å; T196-N200 PolarHBondContact O-N 3.05Å; T196-N200 PolarHBondContact O-ND2 3.49Å; T196-N200 PolarHBondContact O-OD1 2.83Å
197	D	96.5	Very high	96.6	Very high	56 Å²	56	94.9 Å²	94.9	30%	0.299	49%	0.491	S	S	.	.	H	α-helix	trans	-60.6	-48.3	172.2	167.5	66.1	0	0	0	112.5	L193 N200 K201	L193-D197 WeakPolarHBondContact O-CB 3.41Å; L193-D197 PolarHBondContact O-N 2.72Å; D197-N200 PolarHBondContact O-N 2.78Å; D197-K201 WeakPolarHBondContact O-CG 3.47Å; D197-K201 PolarHBondContact O-N 3.46Å; D197-K201 WeakPolarHBondContact OD1-CE 3.1Å; D197-K201 IonicContact OD1-NZ 2.73Å; D197-K201 PolarHBondContact OD1-NZ 2.82Å; D197-K201 IonicContact OD2-NZ 2.66Å; D197-K201 PolarHBondContact OD2-NZ 2.91Å
198	T	94.8	Very high	96.6	Very high	70 Å²	70	95.8 Å²	95.8	43%	0.429	50%	0.495	S	S	.	.	H	α-helix	trans	-66.9	-37	177.5	50.5	0	0	0	0	112.6	L194 H195 K201 L202	L194-T198 HydrophobicContact CD1-CG2 4.22Å; L194-T198 WeakPolarHBondContact O-CB 3.42Å; L194-T198 WeakPolarHBondContact O-CG2 3.37Å; L194-T198 PolarHBondContact O-N 2.9Å; L194-T198 PolarHBondContact O-OG1 3.08Å; H195-T198 WeakPolarHBondContact CA-OG1 3.44Å; H195-T198 PolarHBondContact O-OG1 3.45Å; T198-K201 PolarHBondContact O-N 3.1Å; T198-L202 WeakPolarHBondContact O-CB 3.39Å; T198-L202 PolarHBondContact O-N 3.46Å
199	K	97.3	Very high	96.6	Very high	128 Å²	128	96.4 Å²	96.4	56%	0.557	50%	0.498	S	S	*	.	H	α-helix	trans	-61.6	-42.5	171	178.8	178.6	174.4	62.7	0	112.1	H195 T196 L202 L203	H195-K199 WeakPolarHBondContact O-CB 3.26Å; H195-K199 PolarHBondContact O-N 2.95Å; T196-K199 PolarHBondContact O-N 3.22Å; K199-L202 PolarHBondContact O-N 3.08Å; K199-L203 WeakPolarHBondContact O-CB 3.26Å; K199-L203 PolarHBondContact O-N 2.74Å
200	N	96.5	Very high	96.6	Very high	94 Å²	94	97.7 Å²	97.7	50%	0.503	51%	0.505	S	S	.	.	H	α-helix	trans	-67.5	-42.3	178.3	-69.3	-13.4	0	0	0	111.1	T196 D197 L202 L203 T204	T196-N200 WeakPolarHBondContact O-CB 3.34Å; T196-N200 PolarHBondContact O-N 3.05Å; T196-N200 PolarHBondContact O-ND2 3.49Å; T196-N200 PolarHBondContact O-OD1 2.83Å; D197-N200 PolarHBondContact O-N 2.78Å; N200-L202 VanDerWaalsContact C-N 3.34Å; N200-L202 PolarHBondContact O-N 2.81Å; N200-L203 PolarHBondContact O-N 2.94Å; N200-T204 PolarHBondContact O-N 2.72Å; N200-T204 PolarHBondContact O-OG1 3.38Å
201	K	97.5	Very high	96.6	Very high	125 Å²	125	99.6 Å²	99.6	54%	0.543	51%	0.508	S	S	.	.	H	α-helix	trans	-59.7	-41.8	173	-75.3	164.2	175.5	162.7	0	112.4	D197 T198 A205	D197-K201 WeakPolarHBondContact O-CG 3.47Å; D197-K201 PolarHBondContact O-N 3.46Å; D197-K201 WeakPolarHBondContact OD1-CE 3.1Å; D197-K201 IonicContact OD1-NZ 2.73Å; D197-K201 PolarHBondContact OD1-NZ 2.82Å; D197-K201 IonicContact OD2-NZ 2.66Å; D197-K201 PolarHBondContact OD2-NZ 2.91Å; T198-K201 PolarHBondContact O-N 3.1Å; K201-A205 VanDerWaalsContact O-CB 3.3Å; K201-A205 WeakPolarHBondContact O-CB 3.21Å; K201-A205 PolarHBondContact O-N 3.32Å
202	L	96.3	Very high	96.7	Very high	110 Å²	110	99.5 Å²	99.5	58%	0.576	51%	0.506	S	S	*	.	H	α-helix	trans	-64.1	-44.2	174.1	177.9	62	0	0	0	111.7	T198 K199 N200 A205 L206	T198-L202 WeakPolarHBondContact O-CB 3.39Å; T198-L202 PolarHBondContact O-N 3.46Å; K199-L202 PolarHBondContact O-N 3.08Å; N200-L202 VanDerWaalsContact C-N 3.34Å; N200-L202 PolarHBondContact O-N 2.81Å; L202-A205 PolarHBondContact O-N 2.99Å; L202-L206 HydrophobicContact CD1-CD1 4.32Å; L202-L206 HydrophobicContact CD1-CG 4.4Å; L202-L206 HydrophobicContact CG-CD1 4.17Å; L202-L206 WeakPolarHBondContact O-CG 3.21Å; L202-L206 PolarHBondContact O-N 3.02Å
203	L	97.6	Very high	96.7	Very high	86 Å²	86	101.4 Å²	101.4	45%	0.45	51%	0.513	S	S	.	.	H	α-helix	trans	-60.8	-51.1	177.2	178.9	60.3	0	0	0	111.2	K199 N200 A205 L206 E207	K199-L203 WeakPolarHBondContact O-CB 3.26Å; K199-L203 PolarHBondContact O-N 2.74Å; N200-L203 PolarHBondContact O-N 2.94Å; L203-A205 VanDerWaalsContact C-N 3.28Å; L203-A205 PolarHBondContact O-N 3.35Å; L203-L206 WeakPolarHBondContact O-CB 3.41Å; L203-L206 PolarHBondContact O-N 2.93Å; L203-E207 HydrophobicContact CD1-CG 4.33Å; L203-E207 HydrophobicContact CG-CG 4.49Å; L203-E207 WeakPolarHBondContact O-CG 3.43Å; L203-E207 PolarHBondContact O-N 3.43Å
204	T	96.6	Very high	96.7	Very high	64 Å²	64	100.3 Å²	100.3	39%	0.393	51%	0.505	S	S	.	.	H	α-helix	trans	-61.6	-34	176.7	-61.3	0	0	0	0	112.7	N200 E207 Q208	N200-T204 PolarHBondContact O-N 2.72Å; N200-T204 PolarHBondContact O-OG1 3.38Å; T204-E207 WeakPolarHBondContact CA-OE2 3.39Å; T204-Q208 WeakPolarHBondContact O-CB 3.39Å; T204-Q208 WeakPolarHBondContact O-CG 3.46Å; T204-Q208 PolarHBondContact O-N 2.87Å
205	A	96.1	Very high	96.7	Very high	51 Å²	51	99.8 Å²	99.8	42%	0.421	50%	0.502	S	S	.	.	H	α-helix	trans	-68.8	-36	173.5	0	0	0	0	0	112.7	K201 L202 L203 L209	K201-A205 VanDerWaalsContact O-CB 3.3Å; K201-A205 WeakPolarHBondContact O-CB 3.21Å; K201-A205 PolarHBondContact O-N 3.32Å; L202-A205 PolarHBondContact O-N 2.99Å; L203-A205 VanDerWaalsContact C-N 3.28Å; L203-A205 PolarHBondContact O-N 3.35Å; A205-L209 WeakPolarHBondContact O-CB 3.44Å; A205-L209 PolarHBondContact O-N 3.18Å
206	L	97.4	Very high	96.6	Very high	88 Å²	88	98.1 Å²	98.1	46%	0.461	50%	0.497	S	S	.	.	H	α-helix	trans	-69.1	-44.5	173.4	-70.9	167.5	0	0	0	111.5	L202 L203 Q208 L209 E210	L202-L206 HydrophobicContact CD1-CD1 4.32Å; L202-L206 HydrophobicContact CD1-CG 4.4Å; L202-L206 HydrophobicContact CG-CD1 4.17Å; L202-L206 WeakPolarHBondContact O-CG 3.21Å; L202-L206 PolarHBondContact O-N 3.02Å; L203-L206 WeakPolarHBondContact O-CB 3.41Å; L203-L206 PolarHBondContact O-N 2.93Å; L206-Q208 VanDerWaalsContact C-N 3.33Å; L206-Q208 PolarHBondContact O-N 3.06Å; L206-L209 WeakPolarHBondContact O-CB 3.36Å; L206-L209 PolarHBondContact O-N 3.33Å; L206-L209 VanDerWaalsContact O-N 3.1Å; L206-E210 PolarHBondContact O-N 2.96Å
207	E	96.7	Very high	96.6	Very high	102 Å²	102	100.1 Å²	100.1	48%	0.477	50%	0.502	S	S	.	.	H	α-helix	trans	-59.2	-42.2	174.6	-69.6	166.5	166.7	0	0	111.6	L203 T204 F211	L203-E207 HydrophobicContact CD1-CG 4.33Å; L203-E207 HydrophobicContact CG-CG 4.49Å; L203-E207 WeakPolarHBondContact O-CG 3.43Å; L203-E207 PolarHBondContact O-N 3.43Å; T204-E207 WeakPolarHBondContact CA-OE2 3.39Å; E207-F211 VanDerWaalsContact O-CB 3.27Å; E207-F211 WeakPolarHBondContact O-CB 3.39Å; E207-F211 PolarHBondContact O-N 3.36Å
208	Q	97.2	Very high	96.3	Very high	128 Å²	128	103.3 Å²	103.3	60%	0.598	51%	0.513	S	S	*	.	H	α-helix	trans	-65.9	-36.8	173.7	-74.9	174.7	16.4	0	0	112.7	T204 L206 K212	T204-Q208 WeakPolarHBondContact O-CB 3.39Å; T204-Q208 WeakPolarHBondContact O-CG 3.46Å; T204-Q208 PolarHBondContact O-N 2.87Å; L206-Q208 VanDerWaalsContact C-N 3.33Å; L206-Q208 PolarHBondContact O-N 3.06Å; Q208-K212 VanDerWaalsContact O-CB 3.26Å; Q208-K212 WeakPolarHBondContact O-CB 3.05Å; Q208-K212 PolarHBondContact O-N 3.47Å
209	L	95.6	Very high	96.2	Very high	114 Å²	114	105.7 Å²	105.7	60%	0.597	52%	0.519	S	S	*	.	H	α-helix	trans	-68.3	-45.6	176.6	-176.1	65.4	0	0	0	111.3	A205 L206 K212 N213	A205-L209 WeakPolarHBondContact O-CB 3.44Å; A205-L209 PolarHBondContact O-N 3.18Å; L206-L209 WeakPolarHBondContact O-CB 3.36Å; L206-L209 PolarHBondContact O-N 3.33Å; L206-L209 VanDerWaalsContact O-N 3.1Å; L209-K212 PolarHBondContact O-N 2.89Å; L209-N213 WeakPolarHBondContact O-CB 3.4Å; L209-N213 PolarHBondContact O-N 2.96Å
210	E	97.1	Very high	95.9	Very high	129 Å²	129	107.8 Å²	107.8	60%	0.603	52%	0.524	S	S	*	.	H	α-helix	trans	-62.9	-46.9	175	-73.9	-164.2	167.3	0	0	111.7	L206 K212 N213 Q214	L206-E210 PolarHBondContact O-N 2.96Å; E210-K212 VanDerWaalsContact C-N 3.32Å; E210-K212 PolarHBondContact O-N 3.47Å; E210-N213 PolarHBondContact O-N 3.29Å; E210-N213 VanDerWaalsContact O-N 3.14Å; E210-Q214 WeakPolarHBondContact O-CG 3.46Å; E210-Q214 PolarHBondContact O-N 2.92Å
211	F	96.7	Very high	95.7	Very high	139 Å²	139	107.4 Å²	107.4	61%	0.61	52%	0.521	S	S	*	.	H	α-helix	trans	-57.7	-44.8	175.9	176.3	-98.1	0	0	0	111.6	E207 Q214 L215	E207-F211 VanDerWaalsContact O-CB 3.27Å; E207-F211 WeakPolarHBondContact O-CB 3.39Å; E207-F211 PolarHBondContact O-N 3.36Å; F211-Q214 PolarHBondContact O-N 3.49Å; F211-L215 HydrophobicContact CE1-CD2 4.49Å; F211-L215 WeakPolarHBondContact O-CB 3.25Å; F211-L215 PolarHBondContact O-N 2.9Å
212	K	97.3	Very high	95.3	Very high	129 Å²	129	105.8 Å²	105.8	56%	0.561	52%	0.518	S	S	*	.	H	α-helix	trans	-65.4	-37.8	176.3	-175.1	171.8	-178.3	175.6	0	112.2	Q208 L209 E210 L215 L216	Q208-K212 VanDerWaalsContact O-CB 3.26Å; Q208-K212 WeakPolarHBondContact O-CB 3.05Å; Q208-K212 PolarHBondContact O-N 3.47Å; L209-K212 PolarHBondContact O-N 2.89Å; E210-K212 VanDerWaalsContact C-N 3.32Å; E210-K212 PolarHBondContact O-N 3.47Å; K212-L215 PolarHBondContact O-N 2.93Å; K212-L216 HydrophobicContact CG-CD1 4.12Å; K212-L216 WeakPolarHBondContact O-CB 3.42Å; K212-L216 WeakPolarHBondContact O-CG 3.38Å; K212-L216 PolarHBondContact O-N 2.66Å
213	N	96.6	Very high	95	Very high	109 Å²	109	107.7 Å²	107.7	58%	0.583	52%	0.518	S	S	*	.	H	α-helix	trans	-66.3	-46.4	177.1	-163.4	38.3	0	0	0	111.1	L209 E210 L215 L216 E217	L209-N213 WeakPolarHBondContact O-CB 3.4Å; L209-N213 PolarHBondContact O-N 2.96Å; E210-N213 PolarHBondContact O-N 3.29Å; E210-N213 VanDerWaalsContact O-N 3.14Å; N213-L215 VanDerWaalsContact C-N 3.3Å; N213-L215 PolarHBondContact O-N 3.26Å; N213-L216 PolarHBondContact O-N 3.23Å; N213-E217 VanDerWaalsContact O-CB 3.32Å; N213-E217 WeakPolarHBondContact O-CB 3.24Å; N213-E217 PolarHBondContact O-N 3.32Å
214	Q	96.7	Very high	94.5	Very high	90 Å²	90	106.3 Å²	106.3	42%	0.421	51%	0.51	S	S	.	.	H	α-helix	trans	-62.3	-34.4	173.9	-69.5	-179.3	26	0	0	112.8	E210 F211 K218	E210-Q214 WeakPolarHBondContact O-CG 3.46Å; E210-Q214 PolarHBondContact O-N 2.92Å; F211-Q214 PolarHBondContact O-N 3.49Å; Q214-K218 WeakPolarHBondContact O-CB 3.28Å; Q214-K218 WeakPolarHBondContact O-CD 3.41Å; Q214-K218 VanDerWaalsContact O-CG 3.24Å; Q214-K218 WeakPolarHBondContact O-CG 3.28Å; Q214-K218 PolarHBondContact O-N 3.41Å
215	L	96.8	Very high	94	Very high	93 Å²	93	106.4 Å²	106.4	49%	0.487	51%	0.514	S	S	.	.	H	α-helix	trans	-67.2	-48.4	175.6	-178.5	63.1	0	0	0	111.2	F211 K212 N213 E217 K218 E219	F211-L215 HydrophobicContact CE1-CD2 4.49Å; F211-L215 WeakPolarHBondContact O-CB 3.25Å; F211-L215 PolarHBondContact O-N 2.9Å; K212-L215 PolarHBondContact O-N 2.93Å; N213-L215 VanDerWaalsContact C-N 3.3Å; N213-L215 PolarHBondContact O-N 3.26Å; L215-E217 VanDerWaalsContact C-N 3.33Å; L215-E217 PolarHBondContact O-N 2.86Å; L215-K218 PolarHBondContact O-N 2.94Å; L215-E219 WeakPolarHBondContact O-CB 3.31Å; L215-E219 PolarHBondContact O-N 2.75Å
216	L	95	Very high	93.5	Very high	86 Å²	86	110.4 Å²	110.4	45%	0.45	52%	0.524	S	S	.	.	H	α-helix	trans	-65.7	-34.5	176.8	-70.9	169.7	0	0	0	112.3	K212 N213 R220	K212-L216 HydrophobicContact CG-CD1 4.12Å; K212-L216 WeakPolarHBondContact O-CB 3.42Å; K212-L216 WeakPolarHBondContact O-CG 3.38Å; K212-L216 PolarHBondContact O-N 2.66Å; N213-L216 PolarHBondContact O-N 3.23Å; L216-R220 WeakPolarHBondContact O-CB 3.11Å; L216-R220 PolarHBondContact O-N 3.45Å
217	E	95.6	Very high	92.9	Very high	111 Å²	111	109 Å²	109	52%	0.519	52%	0.521	S	S	.	.	H	α-helix	trans	-64.6	-45.9	172.4	-179.7	175.4	-152.9	0	0	111.2	N213 L215 R220 N221	N213-E217 VanDerWaalsContact O-CB 3.32Å; N213-E217 WeakPolarHBondContact O-CB 3.24Å; N213-E217 PolarHBondContact O-N 3.32Å; L215-E217 VanDerWaalsContact C-N 3.33Å; L215-E217 PolarHBondContact O-N 2.86Å; E217-R220 PolarHBondContact O-N 3.37Å; E217-N221 VanDerWaalsContact O-CB 3.3Å; E217-N221 WeakPolarHBondContact O-CB 3.38Å; E217-N221 PolarHBondContact O-N 3.48Å; E217-N221 PolarHBondContact O-ND2 2.94Å
218	K	91.8	Very high	92.4	Very high	124 Å²	124	107.1 Å²	107.1	54%	0.539	51%	0.514	S	S	.	.	H	α-helix	trans	-62.5	-45.6	174.9	-75.3	167.2	-176	168.6	0	111.8	Q214 L215 R220 N221 I222	Q214-K218 WeakPolarHBondContact O-CB 3.28Å; Q214-K218 WeakPolarHBondContact O-CD 3.41Å; Q214-K218 VanDerWaalsContact O-CG 3.24Å; Q214-K218 WeakPolarHBondContact O-CG 3.28Å; Q214-K218 PolarHBondContact O-N 3.41Å; L215-K218 PolarHBondContact O-N 2.94Å; K218-R220 PolarHBondContact O-N 3.38Å; K218-N221 PolarHBondContact O-N 2.95Å; K218-I222 WeakPolarHBondContact O-CB 3.23Å; K218-I222 WeakPolarHBondContact O-CD1 3.39Å; K218-I222 VanDerWaalsContact O-CG1 3.23Å; K218-I222 WeakPolarHBondContact O-CG1 3.3Å; K218-I222 PolarHBondContact O-N 3.15Å
219	E	92.5	Very high	92	Very high	119 Å²	119	107 Å²	107	56%	0.556	51%	0.513	S	S	*	.	H	α-helix	trans	-58.2	-46.8	175.2	-175.6	-179.9	-180	0	0	111.5	L215 N221 I222 W223	L215-E219 WeakPolarHBondContact O-CB 3.31Å; L215-E219 PolarHBondContact O-N 2.75Å; E219-N221 PolarHBondContact O-N 2.9Å; E219-I222 PolarHBondContact O-N 2.93Å; E219-W223 WeakPolarHBondContact O-CB 3.22Å; E219-W223 PolarHBondContact O-N 3.42Å
220	R	90.8	Very high	91.4	Very high	173 Å²	173	104.8 Å²	104.8	65%	0.653	51%	0.507	S	S	*	.	H	α-helix	trans	-63.8	-39.3	176.6	-173.2	178	-175.2	-171.9	0	112.3	L216 E217 K218 W223 N224	L216-R220 WeakPolarHBondContact O-CB 3.11Å; L216-R220 PolarHBondContact O-N 3.45Å; E217-R220 PolarHBondContact O-N 3.37Å; K218-R220 PolarHBondContact O-N 3.38Å; R220-W223 PolarHBondContact O-N 3.22Å; R220-N224 VanDerWaalsContact O-CB 3.28Å; R220-N224 WeakPolarHBondContact O-CB 3.47Å; R220-N224 PolarHBondContact O-N 3.09Å; R220-N224 PolarHBondContact O-ND2 2.8Å
221	N	91.3	Very high	90.9	Very high	85 Å²	85	104.5 Å²	104.5	46%	0.455	51%	0.506	S	S	.	.	H	α-helix	trans	-70.3	-40	178.6	-72.4	-20.8	0	0	0	112	E217 K218 E219 S225	E217-N221 VanDerWaalsContact O-CB 3.3Å; E217-N221 WeakPolarHBondContact O-CB 3.38Å; E217-N221 PolarHBondContact O-N 3.48Å; E217-N221 PolarHBondContact O-ND2 2.94Å; K218-N221 PolarHBondContact O-N 2.95Å; E219-N221 PolarHBondContact O-N 2.9Å; N221-S225 VanDerWaalsContact O-CB 3.28Å; N221-S225 WeakPolarHBondContact O-CB 3.1Å; N221-S225 PolarHBondContact O-N 2.78Å
222	I	90.4	Very high	90.4	Very high	91 Å²	91	101.9 Å²	101.9	47%	0.467	50%	0.498	S	S	.	.	H	α-helix	trans	-59.1	-51.6	170.4	-70.5	164.1	0	0	0	109.5	K218 E219 N224 S225 E226	K218-I222 WeakPolarHBondContact O-CB 3.23Å; K218-I222 WeakPolarHBondContact O-CD1 3.39Å; K218-I222 VanDerWaalsContact O-CG1 3.23Å; K218-I222 WeakPolarHBondContact O-CG1 3.3Å; K218-I222 PolarHBondContact O-N 3.15Å; E219-I222 PolarHBondContact O-N 2.93Å; I222-N224 PolarHBondContact O-N 2.83Å; I222-S225 PolarHBondContact O-N 2.97Å; I222-E226 HydrophobicContact CG2-CG 4.28Å; I222-E226 WeakPolarHBondContact O-CB 3.39Å; I222-E226 PolarHBondContact O-N 2.86Å
223	W	89	Confident	90	Very high	151 Å²	151	98.9 Å²	98.9	57%	0.572	49%	0.49	S	S	*	.	I	π-helix	trans	-63.4	-41.4	-179.5	-172.9	72	0	0	0	113.4	E219 R220 S225 S227 I228	E219-W223 WeakPolarHBondContact O-CB 3.22Å; E219-W223 PolarHBondContact O-N 3.42Å; R220-W223 PolarHBondContact O-N 3.22Å; W223-S225 PolarHBondContact O-N 2.61Å; W223-S227 WeakPolarHBondContact O-CA 3.49Å; W223-S227 WeakPolarHBondContact O-CB 3.26Å; W223-S227 PolarHBondContact O-N 2.96Å; W223-I228 HydrophobicContact CE3-CD1 3.91Å; W223-I228 HydrophobicContact CE3-CG1 4.5Å; W223-I228 HydrophobicContact CH2-CD1 3.76Å; W223-I228 HydrophobicContact CH2-CG1 4.36Å; W223-I228 HydrophobicContact CZ2-CD1 4.4Å; W223-I228 HydrophobicContact CZ3-CD1 3.47Å; W223-I228 VanDerWaalsContact CZ3-CD1 3.47Å; W223-I228 HydrophobicContact CZ3-CG1 4.34Å; W223-I228 PolarHBondContact O-N 3.39Å; W223-I228 VanDerWaalsContact O-N 3.08Å
224	N	88.3	Confident	89.6	Confident	56 Å²	56	97.5 Å²	97.5	30%	0.299	49%	0.489	S	S	.	.	I	π-helix	trans	-61.1	-42.2	174.6	-73.6	-20.5	0	0	0	112.1	R220 I222 I228 Q229	R220-N224 VanDerWaalsContact O-CB 3.28Å; R220-N224 WeakPolarHBondContact O-CB 3.47Å; R220-N224 PolarHBondContact O-N 3.09Å; R220-N224 PolarHBondContact O-ND2 2.8Å; I222-N224 PolarHBondContact O-N 2.83Å; N224-I228 WeakPolarHBondContact O-CB 3.46Å; N224-Q229 PolarHBondContact O-N 3.32Å
225	S	84.7	Confident	89.2	Confident	66 Å²	66	97.2 Å²	97.2	46%	0.462	49%	0.49	S	S	.	.	I	π-helix	trans	-79	-57.6	-177	-171.5	0	0	0	0	112	N221 I222 W223 Q229 S230	N221-S225 VanDerWaalsContact O-CB 3.28Å; N221-S225 WeakPolarHBondContact O-CB 3.1Å; N221-S225 PolarHBondContact O-N 2.78Å; I222-S225 PolarHBondContact O-N 2.97Å; W223-S225 PolarHBondContact O-N 2.61Å; S225-Q229 WeakPolarHBondContact O-CB 3.44Å; S225-S230 PolarHBondContact O-N 3.05Å
226	E	85.3	Confident	89	Confident	136 Å²	136	96.9 Å²	96.9	64%	0.636	49%	0.488	S	S	*	.	I	π-helix	trans	-76.8	-36.8	-173.6	-62.6	-174.7	177.7	0	0	113	I222 S230	I222-E226 HydrophobicContact CG2-CG 4.28Å; I222-E226 WeakPolarHBondContact O-CB 3.39Å; I222-E226 PolarHBondContact O-N 2.86Å; E226-S230 WeakPolarHBondContact O-CB 3.34Å; E226-S230 PolarHBondContact O-OG 2.89Å
227	S	85.6	Confident	88.7	Confident	57 Å²	57	99.1 Å²	99.1	40%	0.399	49%	0.494	S	S	.	.	I	π-helix	trans	-92.2	-57.4	-179.4	-163.5	0	0	0	0	111.8	W223 H231	W223-S227 WeakPolarHBondContact O-CA 3.49Å; W223-S227 WeakPolarHBondContact O-CB 3.26Å; W223-S227 PolarHBondContact O-N 2.96Å; S227-H231 WeakPolarHBondContact O-CB 3.35Å; S227-H231 PolarHBondContact O-N 3.18Å
228	I	85.8	Confident	88.5	Confident	63 Å²	63	96.9 Å²	96.9	32%	0.323	49%	0.49	S	S	.	.	I	π-helix	trans	-74.1	-56.2	-173.8	-66.6	177.3	0	0	0	111.3	W223 N224 S230 H231 L232	W223-I228 HydrophobicContact CE3-CD1 3.91Å; W223-I228 HydrophobicContact CE3-CG1 4.5Å; W223-I228 HydrophobicContact CH2-CD1 3.76Å; W223-I228 HydrophobicContact CH2-CG1 4.36Å; W223-I228 HydrophobicContact CZ2-CD1 4.4Å; W223-I228 HydrophobicContact CZ3-CD1 3.47Å; W223-I228 VanDerWaalsContact CZ3-CD1 3.47Å; W223-I228 HydrophobicContact CZ3-CG1 4.34Å; W223-I228 PolarHBondContact O-N 3.39Å; W223-I228 VanDerWaalsContact O-N 3.08Å; N224-I228 WeakPolarHBondContact O-CB 3.46Å; I228-S230 PolarHBondContact O-N 3.49Å; I228-H231 PolarHBondContact O-N 2.88Å; I228-L232 HydrophobicContact CG2-CD1 3.66Å; I228-L232 HydrophobicContact CG2-CG 4.26Å; I228-L232 WeakPolarHBondContact O-CB 3.34Å; I228-L232 WeakPolarHBondContact O-CG 3.41Å; I228-L232 PolarHBondContact O-N 3.41Å
229	Q	88.2	Confident	88.4	Confident	126 Å²	126	94.9 Å²	94.9	59%	0.589	49%	0.489	S	S	*	.	I	π-helix	trans	-67.2	-36.5	-175.2	-73.1	-170.3	-3.7	0	0	112.7	N224 S225 T233	N224-Q229 PolarHBondContact O-N 3.32Å; S225-Q229 WeakPolarHBondContact O-CB 3.44Å; Q229-T233 WeakPolarHBondContact O-CB 3.34Å; Q229-T233 PolarHBondContact O-N 3.2Å; Q229-T233 PolarHBondContact O-OG1 3.49Å
230	S	83.6	Confident	88.4	Confident	68 Å²	68	94.5 Å²	94.5	48%	0.476	49%	0.487	S	S	.	.	H	α-helix	trans	-65.9	-43.2	175	88.7	0	0	0	0	112.2	S225 E226 I228 T233 S234	S225-S230 PolarHBondContact O-N 3.05Å; E226-S230 WeakPolarHBondContact O-CB 3.34Å; E226-S230 PolarHBondContact O-OG 2.89Å; I228-S230 PolarHBondContact O-N 3.49Å; S230-T233 PolarHBondContact O-N 3.08Å; S230-S234 VanDerWaalsContact O-CB 3.3Å; S230-S234 WeakPolarHBondContact O-CB 3.42Å; S230-S234 PolarHBondContact O-N 3.36Å
231	H	86.8	Confident	88.4	Confident	122 Å²	122	88.6 Å²	88.6	57%	0.565	48%	0.475	S	S	*	.	H	α-helix	trans	-65.9	-45.5	178.8	-176.9	69.9	0	0	0	111.6	S227 I228 S234 L235	S227-H231 WeakPolarHBondContact O-CB 3.35Å; S227-H231 PolarHBondContact O-N 3.18Å; I228-H231 PolarHBondContact O-N 2.88Å; H231-S234 PolarHBondContact O-N 3.39Å; H231-L235 VanDerWaalsContact O-CB 3.3Å; H231-L235 WeakPolarHBondContact O-CB 3.38Å; H231-L235 PolarHBondContact O-N 3.27Å
232	L	86.9	Confident	88.4	Confident	85 Å²	85	88.4 Å²	88.4	45%	0.445	47%	0.474	S	S	.	.	H	α-helix	trans	-61.6	-44.7	174.5	-70.3	176.5	0	0	0	111.5	I228 S234 L235 I236	I228-L232 HydrophobicContact CG2-CD1 3.66Å; I228-L232 HydrophobicContact CG2-CG 4.26Å; I228-L232 WeakPolarHBondContact O-CB 3.34Å; I228-L232 WeakPolarHBondContact O-CG 3.41Å; I228-L232 PolarHBondContact O-N 3.41Å; L232-S234 VanDerWaalsContact C-N 3.34Å; L232-S234 PolarHBondContact O-N 2.93Å; L232-L235 PolarHBondContact O-N 3.08Å; L232-I236 VanDerWaalsContact O-CB 3.32Å; L232-I236 WeakPolarHBondContact O-CB 3.37Å; L232-I236 WeakPolarHBondContact O-CD1 3.44Å; L232-I236 WeakPolarHBondContact O-CG1 3.44Å; L232-I236 PolarHBondContact O-N 3.11Å
233	T	88.4	Confident	88.2	Confident	65 Å²	65	87.3 Å²	87.3	40%	0.399	47%	0.474	S	S	.	.	H	α-helix	trans	-63.5	-39.5	178	-59.6	0	0	0	0	111.9	Q229 S230 K237	Q229-T233 WeakPolarHBondContact O-CB 3.34Å; Q229-T233 PolarHBondContact O-N 3.2Å; Q229-T233 PolarHBondContact O-OG1 3.49Å; S230-T233 PolarHBondContact O-N 3.08Å; T233-K237 HydrophobicContact CG2-CD 4.1Å; T233-K237 WeakPolarHBondContact O-CB 3.44Å; T233-K237 VanDerWaalsContact O-CG 3.27Å; T233-K237 WeakPolarHBondContact O-CG 3.34Å; T233-K237 PolarHBondContact O-N 3.43Å; T233-K237 VanDerWaalsContact O-N 3.07Å
234	S	87.5	Confident	88.4	Confident	80 Å²	80	85.5 Å²	85.5	56%	0.559	47%	0.472	S	S	*	.	H	α-helix	trans	-65.8	-46.5	175.5	-174.9	0	0	0	0	111.3	S230 H231 L232 K237 S238	S230-S234 VanDerWaalsContact O-CB 3.3Å; S230-S234 WeakPolarHBondContact O-CB 3.42Å; S230-S234 PolarHBondContact O-N 3.36Å; H231-S234 PolarHBondContact O-N 3.39Å; L232-S234 VanDerWaalsContact C-N 3.34Å; L232-S234 PolarHBondContact O-N 2.93Å; S234-K237 PolarHBondContact O-N 2.92Å; S234-S238 WeakPolarHBondContact O-CB 3.3Å; S234-S238 PolarHBondContact O-N 3.34Å
235	L	89.9	Confident	88.6	Confident	84 Å²	84	87.9 Å²	87.9	44%	0.44	49%	0.485	S	S	.	.	H	α-helix	trans	-62	-49.4	178.2	-177.6	62.9	0	0	0	111.3	H231 L232 S238 V239	H231-L235 VanDerWaalsContact O-CB 3.3Å; H231-L235 WeakPolarHBondContact O-CB 3.38Å; H231-L235 PolarHBondContact O-N 3.27Å; L232-L235 PolarHBondContact O-N 3.08Å; L235-S238 PolarHBondContact O-N 3.48Å; L235-S238 VanDerWaalsContact O-N 3.16Å; L235-S238 PolarHBondContact O-OG 2.81Å; L235-V239 HydrophobicContact CD1-CG2 4.26Å; L235-V239 WeakPolarHBondContact O-CG2 3.32Å; L235-V239 PolarHBondContact O-N 2.92Å
236	I	90.9	Very high	89	Confident	87 Å²	87	91 Å²	91	45%	0.446	49%	0.49	S	S	.	.	H	α-helix	trans	-55	-55.2	176.7	-72	164.8	0	0	0	110.1	L232 S238 V239 E240	L232-I236 VanDerWaalsContact O-CB 3.32Å; L232-I236 WeakPolarHBondContact O-CB 3.37Å; L232-I236 WeakPolarHBondContact O-CD1 3.44Å; L232-I236 WeakPolarHBondContact O-CG1 3.44Å; L232-I236 PolarHBondContact O-N 3.11Å; I236-S238 VanDerWaalsContact C-N 3.26Å; I236-S238 PolarHBondContact O-N 3.43Å; I236-V239 PolarHBondContact O-N 3.27Å; I236-E240 VanDerWaalsContact CG2-CD 3.45Å; I236-E240 HydrophobicContact CG2-CG 4.17Å; I236-E240 WeakPolarHBondContact CG2-OE1 3.38Å; I236-E240 WeakPolarHBondContact O-CB 3.22Å; I236-E240 VanDerWaalsContact O-CG 3.32Å; I236-E240 WeakPolarHBondContact O-CG 3.49Å; I236-E240 PolarHBondContact O-N 3.45Å
237	K	89.7	Confident	89.3	Confident	133 Å²	133	89.8 Å²	89.8	58%	0.578	49%	0.487	S	S	*	.	H	α-helix	trans	-57.5	-37.4	177.9	-73.3	174.5	179.5	179.4	0	112.9	T233 S234 A241	T233-K237 HydrophobicContact CG2-CD 4.1Å; T233-K237 WeakPolarHBondContact O-CB 3.44Å; T233-K237 VanDerWaalsContact O-CG 3.27Å; T233-K237 WeakPolarHBondContact O-CG 3.34Å; T233-K237 PolarHBondContact O-N 3.43Å; T233-K237 VanDerWaalsContact O-N 3.07Å; S234-K237 PolarHBondContact O-N 2.92Å; K237-A241 VanDerWaalsContact O-CB 3.23Å; K237-A241 WeakPolarHBondContact O-CB 3.33Å; K237-A241 PolarHBondContact O-N 2.92Å
238	S	90	Very high	89.8	Confident	63 Å²	63	89.7 Å²	89.7	44%	0.441	49%	0.486	S	S	.	.	H	α-helix	trans	-69.2	-36.8	177.3	80.5	0	0	0	0	112.7	S234 L235 I236 N242	S234-S238 WeakPolarHBondContact O-CB 3.3Å; S234-S238 PolarHBondContact O-N 3.34Å; L235-S238 PolarHBondContact O-N 3.48Å; L235-S238 VanDerWaalsContact O-N 3.16Å; L235-S238 PolarHBondContact O-OG 2.81Å; I236-S238 VanDerWaalsContact C-N 3.26Å; I236-S238 PolarHBondContact O-N 3.43Å; S238-N242 WeakPolarHBondContact O-CB 3.3Å; S238-N242 PolarHBondContact O-N 3.43Å; S238-N242 VanDerWaalsContact O-N 3.08Å
239	V	90.8	Very high	90.2	Very high	83 Å²	83	92.9 Å²	92.9	50%	0.503	50%	0.499	S	S	.	.	H	α-helix	trans	-74.1	-42.4	178.2	170	0	0	0	0	110.6	L235 I236 N242 S243	L235-V239 HydrophobicContact CD1-CG2 4.26Å; L235-V239 WeakPolarHBondContact O-CG2 3.32Å; L235-V239 PolarHBondContact O-N 2.92Å; I236-V239 PolarHBondContact O-N 3.27Å; V239-N242 PolarHBondContact O-N 3.18Å; V239-S243 WeakPolarHBondContact O-CB 3.39Å; V239-S243 PolarHBondContact O-N 2.77Å; V239-S243 PolarHBondContact O-OG 3.03Å; V239-S243 VanDerWaalsContact O-OG 3.13Å
240	E	92.1	Very high	90.6	Very high	111 Å²	111	91.7 Å²	91.7	52%	0.519	50%	0.496	S	S	.	.	H	α-helix	trans	-62.1	-48.2	174.2	-71.2	172.1	157.8	0	0	111.7	I236 N242 S243 H244	I236-E240 VanDerWaalsContact CG2-CD 3.45Å; I236-E240 HydrophobicContact CG2-CG 4.17Å; I236-E240 WeakPolarHBondContact CG2-OE1 3.38Å; I236-E240 WeakPolarHBondContact O-CB 3.22Å; I236-E240 VanDerWaalsContact O-CG 3.32Å; I236-E240 WeakPolarHBondContact O-CG 3.49Å; I236-E240 PolarHBondContact O-N 3.45Å; E240-N242 VanDerWaalsContact C-N 3.32Å; E240-N242 PolarHBondContact O-N 2.89Å; E240-S243 PolarHBondContact O-N 3.45Å; E240-S243 PolarHBondContact O-OG 3.36Å; E240-S243 VanDerWaalsContact O-OG 3.1Å; E240-H244 WeakPolarHBondContact O-CB 3.43Å; E240-H244 PolarHBondContact O-N 3.28Å
241	A	90.5	Very high	91.2	Very high	49 Å²	49	92 Å²	92	41%	0.405	49%	0.492	S	S	.	.	H	α-helix	trans	-62.5	-40	176.3	0	0	0	0	0	111.9	K237 N245	K237-A241 VanDerWaalsContact O-CB 3.23Å; K237-A241 WeakPolarHBondContact O-CB 3.33Å; K237-A241 PolarHBondContact O-N 2.92Å; A241-N245 WeakPolarHBondContact O-CB 3.41Å; A241-N245 PolarHBondContact O-N 3.5Å; A241-N245 PolarHBondContact O-ND2 2.87Å
242	N	92	Very high	91.6	Very high	81 Å²	81	89.8 Å²	89.8	43%	0.433	49%	0.491	S	S	.	.	H	α-helix	trans	-67.5	-42.8	177.9	-174.6	9.5	0	0	0	112.3	S238 V239 E240 K246	S238-N242 WeakPolarHBondContact O-CB 3.3Å; S238-N242 PolarHBondContact O-N 3.43Å; S238-N242 VanDerWaalsContact O-N 3.08Å; V239-N242 PolarHBondContact O-N 3.18Å; E240-N242 VanDerWaalsContact C-N 3.32Å; E240-N242 PolarHBondContact O-N 2.89Å; N242-K246 PolarHBondContact ND2-NZ 3.38Å; N242-K246 WeakPolarHBondContact O-CB 3.41Å; N242-K246 WeakPolarHBondContact O-CD 3.26Å; N242-K246 VanDerWaalsContact O-CG 3.26Å; N242-K246 WeakPolarHBondContact O-CG 3.14Å; N242-K246 PolarHBondContact O-N 3.15Å; N242-K246 VanDerWaalsContact O-N 3.12Å; N242-K246 WeakPolarHBondContact OD1-CE 3.27Å; N242-K246 PolarHBondContact OD1-NZ 2.91Å
243	S	85.9	Confident	92.1	Very high	68 Å²	68	89.6 Å²	89.6	48%	0.476	49%	0.487	S	S	.	.	H	α-helix	trans	-71.4	-41.6	177.6	66.6	0	0	0	0	111.8	V239 E240 K246 L247	V239-S243 WeakPolarHBondContact O-CB 3.39Å; V239-S243 PolarHBondContact O-N 2.77Å; V239-S243 PolarHBondContact O-OG 3.03Å; V239-S243 VanDerWaalsContact O-OG 3.13Å; E240-S243 PolarHBondContact O-N 3.45Å; E240-S243 PolarHBondContact O-OG 3.36Å; E240-S243 VanDerWaalsContact O-OG 3.1Å; S243-K246 PolarHBondContact O-N 3.01Å; S243-L247 WeakPolarHBondContact O-CB 3.5Å; S243-L247 PolarHBondContact O-N 3.24Å
244	H	93.2	Very high	92.5	Very high	112 Å²	112	90.4 Å²	90.4	52%	0.519	49%	0.488	S	S	.	.	H	α-helix	trans	-60.5	-49.9	174.1	-176.1	84.5	0	0	0	111.4	E240 K246 L247 C248	E240-H244 WeakPolarHBondContact O-CB 3.43Å; E240-H244 PolarHBondContact O-N 3.28Å; H244-K246 VanDerWaalsContact C-N 3.32Å; H244-K246 PolarHBondContact O-N 3.12Å; H244-L247 PolarHBondContact O-N 2.83Å; H244-L247 VanDerWaalsContact O-N 3.16Å; H244-C248 PolarHBondContact NE2-SG 2.9Å; H244-C248 VanDerWaalsContact NE2-SG 3.44Å; H244-C248 WeakPolarHBondContact O-CB 3.31Å; H244-C248 PolarHBondContact O-N 2.91Å; H244-C248 PolarHBondContact O-SG 2.8Å; H244-C248 VanDerWaalsContact O-SG 3.37Å
245	N	92.2	Very high	92.9	Very high	106 Å²	106	94 Å²	94	57%	0.567	49%	0.49	S	S	*	.	H	α-helix	trans	-61.2	-39.4	178.4	-72.7	-16.4	0	0	0	112.2	A241 H249	A241-N245 WeakPolarHBondContact O-CB 3.41Å; A241-N245 PolarHBondContact O-N 3.5Å; A241-N245 PolarHBondContact O-ND2 2.87Å; N245-H249 WeakPolarHBondContact O-CB 3.47Å; N245-H249 PolarHBondContact O-N 3.07Å
246	K	93.4	Very high	93.2	Very high	132 Å²	132	92.7 Å²	92.7	57%	0.574	49%	0.488	S	S	*	.	H	α-helix	trans	-64.1	-43.2	173.7	-77.6	166.7	175.4	158.1	0	112.5	N242 S243 H244 H249 L250	N242-K246 PolarHBondContact ND2-NZ 3.38Å; N242-K246 WeakPolarHBondContact O-CB 3.41Å; N242-K246 WeakPolarHBondContact O-CD 3.26Å; N242-K246 VanDerWaalsContact O-CG 3.26Å; N242-K246 WeakPolarHBondContact O-CG 3.14Å; N242-K246 PolarHBondContact O-N 3.15Å; N242-K246 VanDerWaalsContact O-N 3.12Å; N242-K246 WeakPolarHBondContact OD1-CE 3.27Å; N242-K246 PolarHBondContact OD1-NZ 2.91Å; S243-K246 PolarHBondContact O-N 3.01Å; H244-K246 VanDerWaalsContact C-N 3.32Å; H244-K246 PolarHBondContact O-N 3.12Å; K246-H249 PolarHBondContact O-N 3.36Å; K246-L250 WeakPolarHBondContact O-CB 3.16Å; K246-L250 PolarHBondContact O-N 3.2Å
247	L	92.4	Very high	93.6	Very high	111 Å²	111	93 Å²	93	58%	0.581	49%	0.487	S	S	*	.	H	α-helix	trans	-65.4	-44.7	177.7	-179.3	60.5	0	0	0	111.4	S243 H244 L250 L251	S243-L247 WeakPolarHBondContact O-CB 3.5Å; S243-L247 PolarHBondContact O-N 3.24Å; H244-L247 PolarHBondContact O-N 2.83Å; H244-L247 VanDerWaalsContact O-N 3.16Å; L247-L250 PolarHBondContact O-N 3.37Å; L247-L251 VanDerWaalsContact O-CB 3.26Å; L247-L251 WeakPolarHBondContact O-CB 3.22Å; L247-L251 PolarHBondContact O-N 3.16Å
248	C	95.4	Very high	93.8	Very high	55 Å²	55	92.5 Å²	92.5	37%	0.372	49%	0.488	S	S	.	.	H	α-helix	trans	-63.4	-41.3	176.2	-71.9	0	0	0	0	112.1	H244 S252	H244-C248 PolarHBondContact NE2-SG 2.9Å; H244-C248 VanDerWaalsContact NE2-SG 3.44Å; H244-C248 WeakPolarHBondContact O-CB 3.31Å; H244-C248 PolarHBondContact O-N 2.91Å; H244-C248 PolarHBondContact O-SG 2.8Å; H244-C248 VanDerWaalsContact O-SG 3.37Å; C248-S252 VanDerWaalsContact O-CB 3.27Å; C248-S252 WeakPolarHBondContact O-CB 3.28Å; C248-S252 PolarHBondContact O-N 3.37Å
249	H	94.9	Very high	94.1	Very high	130 Å²	130	93.4 Å²	93.4	60%	0.602	49%	0.491	S	S	*	.	H	α-helix	trans	-62.8	-47.9	172.9	-174.4	-50.1	0	0	0	111.7	N245 K246 L251 S252 E253	N245-H249 WeakPolarHBondContact O-CB 3.47Å; N245-H249 PolarHBondContact O-N 3.07Å; K246-H249 PolarHBondContact O-N 3.36Å; H249-L251 VanDerWaalsContact C-N 3.34Å; H249-L251 PolarHBondContact O-N 2.97Å; H249-S252 PolarHBondContact O-N 3.44Å; H249-E253 WeakPolarHBondContact O-CB 3.47Å; H249-E253 PolarHBondContact O-N 3.23Å
250	L	96.5	Very high	94.4	Very high	100 Å²	100	93.7 Å²	93.7	52%	0.524	49%	0.489	S	S	.	.	H	α-helix	trans	-63.4	-40.4	-179.8	-178.2	61.4	0	0	0	111.7	K246 L247 E253 I254	K246-L250 WeakPolarHBondContact O-CB 3.16Å; K246-L250 PolarHBondContact O-N 3.2Å; L247-L250 PolarHBondContact O-N 3.37Å; L250-E253 PolarHBondContact O-N 2.91Å; L250-I254 HydrophobicContact CD1-CD1 4.14Å; L250-I254 HydrophobicContact CD1-CG1 4.47Å; L250-I254 HydrophobicContact CG-CD1 3.99Å; L250-I254 VanDerWaalsContact O-CG1 3.27Å; L250-I254 WeakPolarHBondContact O-CG1 3.28Å; L250-I254 PolarHBondContact O-N 3.1Å
251	L	95.3	Very high	94.6	Very high	75 Å²	75	94.3 Å²	94.3	39%	0.393	49%	0.492	S	S	.	.	H	α-helix	trans	-67.4	-37.5	175.9	-178.3	59.9	0	0	0	112.2	L247 H249 R255	L247-L251 VanDerWaalsContact O-CB 3.26Å; L247-L251 WeakPolarHBondContact O-CB 3.22Å; L247-L251 PolarHBondContact O-N 3.16Å; H249-L251 VanDerWaalsContact C-N 3.34Å; H249-L251 PolarHBondContact O-N 2.97Å; L251-R255 WeakPolarHBondContact O-CB 3.37Å; L251-R255 WeakPolarHBondContact O-CD 3.44Å; L251-R255 WeakPolarHBondContact O-CG 3.43Å; L251-R255 PolarHBondContact O-N 2.93Å
252	S	95.4	Very high	94.9	Very high	76 Å²	76	99.6 Å²	99.6	53%	0.531	50%	0.503	S	S	.	.	H	α-helix	trans	-65.4	-43.8	173.9	-172.5	0	0	0	0	111.6	C248 H249 R255 S256	C248-S252 VanDerWaalsContact O-CB 3.27Å; C248-S252 WeakPolarHBondContact O-CB 3.28Å; C248-S252 PolarHBondContact O-N 3.37Å; H249-S252 PolarHBondContact O-N 3.44Å; S252-R255 PolarHBondContact O-N 2.85Å; S252-S256 WeakPolarHBondContact O-CB 3.35Å; S252-S256 PolarHBondContact O-N 2.88Å
253	E	96.9	Very high	95.1	Very high	80 Å²	80	98.6 Å²	98.6	37%	0.374	50%	0.497	S	S	.	.	H	α-helix	trans	-61.1	-48.7	176.3	-177.6	57	-148.1	0	0	111.6	H249 L250 R255 S256 Q257	H249-E253 WeakPolarHBondContact O-CB 3.47Å; H249-E253 PolarHBondContact O-N 3.23Å; L250-E253 PolarHBondContact O-N 2.91Å; E253-R255 VanDerWaalsContact C-N 3.33Å; E253-R255 PolarHBondContact O-N 2.82Å; E253-S256 WeakPolarHBondContact O-CB 3.48Å; E253-S256 PolarHBondContact O-N 3.21Å; E253-Q257 WeakPolarHBondContact O-CG 3.46Å; E253-Q257 PolarHBondContact O-N 2.78Å; E253-Q257 PolarHBondContact OE1-NE2 3.43Å
254	I	96.9	Very high	95.7	Very high	82 Å²	82	100 Å²	100	42%	0.421	50%	0.496	S	S	.	.	H	α-helix	trans	-61	-41.2	177.1	-69.4	166	0	0	0	111.2	L250 M258	L250-I254 HydrophobicContact CD1-CD1 4.14Å; L250-I254 HydrophobicContact CD1-CG1 4.47Å; L250-I254 HydrophobicContact CG-CD1 3.99Å; L250-I254 VanDerWaalsContact O-CG1 3.27Å; L250-I254 WeakPolarHBondContact O-CG1 3.28Å; L250-I254 PolarHBondContact O-N 3.1Å; I254-M258 VanDerWaalsContact O-CB 3.26Å; I254-M258 WeakPolarHBondContact O-CB 3.12Å; I254-M258 PolarHBondContact O-N 3.12Å
255	R	96.3	Very high	95.7	Very high	157 Å²	157	97 Å²	97	59%	0.592	49%	0.491	S	S	*	.	H	α-helix	trans	-64	-42.3	175.4	-75.3	168.4	174.2	176.4	-2.7	111.9	L251 S252 E253 M258 T259	L251-R255 WeakPolarHBondContact O-CB 3.37Å; L251-R255 WeakPolarHBondContact O-CD 3.44Å; L251-R255 WeakPolarHBondContact O-CG 3.43Å; L251-R255 PolarHBondContact O-N 2.93Å; S252-R255 PolarHBondContact O-N 2.85Å; E253-R255 VanDerWaalsContact C-N 3.33Å; E253-R255 PolarHBondContact O-N 2.82Å; R255-M258 PolarHBondContact O-N 2.64Å; R255-T259 WeakPolarHBondContact O-CB 3.19Å; R255-T259 PolarHBondContact O-N 3.41Å; R255-T259 PolarHBondContact O-OG1 3.13Å
256	S	97.2	Very high	95.9	Very high	56 Å²	56	95.8 Å²	95.8	39%	0.392	48%	0.48	S	S	.	.	H	α-helix	trans	-59.7	-53.7	175.9	-175.5	0	0	0	0	111.1	S252 E253 M258 T259 I260	S252-S256 WeakPolarHBondContact O-CB 3.35Å; S252-S256 PolarHBondContact O-N 2.88Å; E253-S256 WeakPolarHBondContact O-CB 3.48Å; E253-S256 PolarHBondContact O-N 3.21Å; S256-M258 VanDerWaalsContact C-N 3.34Å; S256-M258 PolarHBondContact O-N 3.12Å; S256-T259 WeakPolarHBondContact O-CB 3.32Å; S256-T259 PolarHBondContact O-N 3.21Å; S256-T259 VanDerWaalsContact O-N 3.15Å; S256-I260 VanDerWaalsContact O-CG1 3.31Å; S256-I260 WeakPolarHBondContact O-CG1 3.42Å; S256-I260 PolarHBondContact O-N 3.4Å
257	Q	97.6	Very high	96.1	Very high	92 Å²	92	92.8 Å²	92.8	43%	0.43	47%	0.47	S	S	.	.	H	α-helix	trans	-59.2	-42.1	177.5	-68.2	-176.2	20.9	0	0	112.6	E253 T259 I260 Q261	E253-Q257 WeakPolarHBondContact O-CG 3.46Å; E253-Q257 PolarHBondContact O-N 2.78Å; E253-Q257 PolarHBondContact OE1-NE2 3.43Å; Q257-T259 VanDerWaalsContact C-N 3.34Å; Q257-T259 PolarHBondContact O-N 3.21Å; Q257-I260 PolarHBondContact O-N 2.85Å; Q257-Q261 WeakPolarHBondContact O-CB 3.21Å; Q257-Q261 WeakPolarHBondContact O-CG 3.19Å; Q257-Q261 PolarHBondContact O-N 2.57Å
258	M	95.6	Very high	96.2	Very high	124 Å²	124	93.8 Å²	93.8	61%	0.611	47%	0.47	S	S	*	.	H	α-helix	trans	-62.4	-40.8	176.7	-172.4	-174.4	-61.9	0	0	111.9	I254 R255 S256 Q261 Y262	I254-M258 VanDerWaalsContact O-CB 3.26Å; I254-M258 WeakPolarHBondContact O-CB 3.12Å; I254-M258 PolarHBondContact O-N 3.12Å; R255-M258 PolarHBondContact O-N 2.64Å; S256-M258 VanDerWaalsContact C-N 3.34Å; S256-M258 PolarHBondContact O-N 3.12Å; M258-Q261 PolarHBondContact O-N 3.02Å; M258-Y262 VanDerWaalsContact O-CB 3.32Å; M258-Y262 WeakPolarHBondContact O-CB 3.44Å; M258-Y262 PolarHBondContact O-N 3.38Å
259	T	96	Very high	96.2	Very high	81 Å²	81	96.3 Å²	96.3	50%	0.497	48%	0.479	S	S	.	.	H	α-helix	trans	-64.9	-46.9	177.2	-55.8	0	0	0	0	110.6	R255 S256 Q257 Q261 Y262 D263	R255-T259 WeakPolarHBondContact O-CB 3.19Å; R255-T259 PolarHBondContact O-N 3.41Å; R255-T259 PolarHBondContact O-OG1 3.13Å; S256-T259 WeakPolarHBondContact O-CB 3.32Å; S256-T259 PolarHBondContact O-N 3.21Å; S256-T259 VanDerWaalsContact O-N 3.15Å; Q257-T259 VanDerWaalsContact C-N 3.34Å; Q257-T259 PolarHBondContact O-N 3.21Å; T259-Q261 PolarHBondContact O-N 3.26Å; T259-Y262 PolarHBondContact O-N 2.87Å; T259-D263 PolarHBondContact O-N 3.01Å
260	I	97	Very high	96.3	Very high	89 Å²	89	95.9 Å²	95.9	46%	0.456	48%	0.475	S	S	.	.	H	α-helix	trans	-60.3	-45.4	177.4	-67.8	165	0	0	0	110.9	S256 Q257 Q264	S256-I260 VanDerWaalsContact O-CG1 3.31Å; S256-I260 WeakPolarHBondContact O-CG1 3.42Å; S256-I260 PolarHBondContact O-N 3.4Å; Q257-I260 PolarHBondContact O-N 2.85Å; I260-Q264 WeakPolarHBondContact O-CB 3.14Å; I260-Q264 VanDerWaalsContact O-CG 3.24Å; I260-Q264 WeakPolarHBondContact O-CG 3.36Å; I260-Q264 PolarHBondContact O-N 2.98Å
261	Q	96.7	Very high	96.3	Very high	124 Å²	124	96.8 Å²	96.8	58%	0.579	48%	0.477	S	S	*	.	H	α-helix	trans	-64.8	-41	177.1	-72.8	-178.7	36.4	0	0	112.2	Q257 M258 T259 Q264 A265	Q257-Q261 WeakPolarHBondContact O-CB 3.21Å; Q257-Q261 WeakPolarHBondContact O-CG 3.19Å; Q257-Q261 PolarHBondContact O-N 2.57Å; M258-Q261 PolarHBondContact O-N 3.02Å; T259-Q261 PolarHBondContact O-N 3.26Å; Q261-Q264 PolarHBondContact O-N 3.07Å; Q261-A265 WeakPolarHBondContact O-CB 3.27Å; Q261-A265 PolarHBondContact O-N 3.09Å
262	Y	96.3	Very high	96.3	Very high	161 Å²	161	94.8 Å²	94.8	63%	0.631	47%	0.474	S	S	*	.	H	α-helix	trans	-62.9	-48.7	177.9	-177.5	-96.8	0	0	0	111.8	M258 T259 Q264 A265 K266	M258-Y262 VanDerWaalsContact O-CB 3.32Å; M258-Y262 WeakPolarHBondContact O-CB 3.44Å; M258-Y262 PolarHBondContact O-N 3.38Å; T259-Y262 PolarHBondContact O-N 2.87Å; Y262-Q264 PolarHBondContact O-N 3.21Å; Y262-A265 PolarHBondContact O-N 3.37Å; Y262-K266 HydrophobicContact CD1-CD 4.22Å; Y262-K266 HydrophobicContact CE1-CD 3.75Å; Y262-K266 WeakPolarHBondContact O-CB 3.43Å; Y262-K266 PolarHBondContact O-N 3.26Å
263	D	96.7	Very high	96.3	Very high	59 Å²	59	96.5 Å²	96.5	32%	0.316	48%	0.477	S	S	.	.	H	α-helix	trans	-67.4	-34.3	177.1	-86.1	-37.1	0	0	0	112.6	T259 K266 N267	T259-D263 PolarHBondContact O-N 3.01Å; D263-K266 WeakPolarHBondContact OD1-CD 3.41Å; D263-K266 VanDerWaalsContact OD1-CE 3.31Å; D263-K266 WeakPolarHBondContact OD1-CE 3.48Å; D263-K266 IonicContact OD1-NZ 3.45Å; D263-K266 PolarHBondContact OD1-NZ 3.42Å; D263-N267 VanDerWaalsContact O-CB 3.26Å; D263-N267 WeakPolarHBondContact O-CB 3.29Å; D263-N267 PolarHBondContact O-N 3.13Å; D263-N267 PolarHBondContact O-ND2 2.97Å
264	Q	97	Very high	96.3	Very high	99 Å²	99	98 Å²	98	46%	0.463	48%	0.482	S	S	.	.	H	α-helix	trans	-62.7	-44.6	170.8	-77.1	-178.6	24.3	0	0	112.5	I260 Q261 Y262 K268	I260-Q264 WeakPolarHBondContact O-CB 3.14Å; I260-Q264 VanDerWaalsContact O-CG 3.24Å; I260-Q264 WeakPolarHBondContact O-CG 3.36Å; I260-Q264 PolarHBondContact O-N 2.98Å; Q261-Q264 PolarHBondContact O-N 3.07Å; Y262-Q264 PolarHBondContact O-N 3.21Å; Q264-K268 WeakPolarHBondContact O-CB 3.37Å; Q264-K268 WeakPolarHBondContact O-CD 3.5Å; Q264-K268 VanDerWaalsContact O-CG 3.24Å; Q264-K268 WeakPolarHBondContact O-CG 3.38Å; Q264-K268 PolarHBondContact O-N 3.24Å
265	A	94.6	Very high	96.3	Very high	48 Å²	48	98.5 Å²	98.5	40%	0.397	49%	0.489	S	S	.	.	H	α-helix	trans	-65.4	-47.1	178.2	0	0	0	0	0	111.3	Q261 Y262 N267 K268 I269	Q261-A265 WeakPolarHBondContact O-CB 3.27Å; Q261-A265 PolarHBondContact O-N 3.09Å; Y262-A265 PolarHBondContact O-N 3.37Å; A265-N267 PolarHBondContact O-N 3Å; A265-K268 PolarHBondContact O-N 3.44Å; A265-I269 VanDerWaalsContact O-CG1 3.28Å; A265-I269 WeakPolarHBondContact O-CG1 3.44Å; A265-I269 PolarHBondContact O-N 3.46Å
266	K	96.1	Very high	96.2	Very high	81 Å²	81	95.1 Å²	95.1	35%	0.352	49%	0.486	S	S	.	.	H	α-helix	trans	-57.3	-42.2	175.1	171.9	175.2	152.4	-158.2	0	112.6	Y262 D263 K270	Y262-K266 HydrophobicContact CD1-CD 4.22Å; Y262-K266 HydrophobicContact CE1-CD 3.75Å; Y262-K266 WeakPolarHBondContact O-CB 3.43Å; Y262-K266 PolarHBondContact O-N 3.26Å; D263-K266 WeakPolarHBondContact OD1-CD 3.41Å; D263-K266 VanDerWaalsContact OD1-CE 3.31Å; D263-K266 WeakPolarHBondContact OD1-CE 3.48Å; D263-K266 IonicContact OD1-NZ 3.45Å; D263-K266 PolarHBondContact OD1-NZ 3.42Å; K266-K270 VanDerWaalsContact O-CG 3.3Å; K266-K270 WeakPolarHBondContact O-CG 3.47Å; K266-K270 PolarHBondContact O-N 2.83Å
267	N	96.9	Very high	96.2	Very high	68 Å²	68	96.9 Å²	96.9	36%	0.364	49%	0.49	S	S	.	.	H	α-helix	trans	-72.7	-43.2	177.3	-69.8	-15.3	0	0	0	112	D263 A265 I269 K270 E271	D263-N267 VanDerWaalsContact O-CB 3.26Å; D263-N267 WeakPolarHBondContact O-CB 3.29Å; D263-N267 PolarHBondContact O-N 3.13Å; D263-N267 PolarHBondContact O-ND2 2.97Å; A265-N267 PolarHBondContact O-N 3Å; N267-I269 VanDerWaalsContact C-N 3.29Å; N267-I269 PolarHBondContact O-N 3.01Å; N267-K270 WeakPolarHBondContact O-CB 3.43Å; N267-K270 PolarHBondContact O-N 2.91Å; N267-K270 VanDerWaalsContact O-N 3.1Å; N267-E271 WeakPolarHBondContact O-CB 3.5Å; N267-E271 VanDerWaalsContact O-CG 3.32Å; N267-E271 WeakPolarHBondContact O-CG 3.3Å; N267-E271 PolarHBondContact O-N 2.94Å
268	K	95.6	Very high	96.2	Very high	133 Å²	133	95 Å²	95	58%	0.578	48%	0.483	S	S	*	.	H	α-helix	trans	-57	-40.7	172.7	-73.5	166.9	-177.1	170.6	0	112.5	Q264 A265 E271 G272	Q264-K268 WeakPolarHBondContact O-CB 3.37Å; Q264-K268 WeakPolarHBondContact O-CD 3.5Å; Q264-K268 VanDerWaalsContact O-CG 3.24Å; Q264-K268 WeakPolarHBondContact O-CG 3.38Å; Q264-K268 PolarHBondContact O-N 3.24Å; A265-K268 PolarHBondContact O-N 3.44Å; K268-E271 PolarHBondContact O-N 3.38Å; K268-G272 PolarHBondContact O-N 2.71Å
269	I	95.5	Very high	96.2	Very high	107 Å²	107	91.9 Å²	91.9	55%	0.549	48%	0.477	S	S	.	.	H	α-helix	trans	-65.7	-45.6	175.1	-69.4	164.9	0	0	0	110.7	A265 N267 E271 G272 L273	A265-I269 VanDerWaalsContact O-CG1 3.28Å; A265-I269 WeakPolarHBondContact O-CG1 3.44Å; A265-I269 PolarHBondContact O-N 3.46Å; N267-I269 VanDerWaalsContact C-N 3.29Å; N267-I269 PolarHBondContact O-N 3.01Å; I269-E271 PolarHBondContact O-N 2.9Å; I269-G272 PolarHBondContact O-N 3.08Å; I269-L273 HydrophobicContact CG2-CD1 3.87Å; I269-L273 HydrophobicContact CG2-CG 4.4Å; I269-L273 WeakPolarHBondContact O-CB 3.4Å; I269-L273 VanDerWaalsContact O-CG 3.32Å; I269-L273 WeakPolarHBondContact O-CG 3.34Å; I269-L273 PolarHBondContact O-N 2.83Å
270	K	96.1	Very high	96.1	Very high	122 Å²	122	92.5 Å²	92.5	53%	0.53	47%	0.474	S	S	.	.	H	α-helix	trans	-59.3	-43.6	175.1	-76.2	172.9	175.1	-174.3	0	112.5	K266 N267 L273 K274	K266-K270 VanDerWaalsContact O-CG 3.3Å; K266-K270 WeakPolarHBondContact O-CG 3.47Å; K266-K270 PolarHBondContact O-N 2.83Å; N267-K270 WeakPolarHBondContact O-CB 3.43Å; N267-K270 PolarHBondContact O-N 2.91Å; N267-K270 VanDerWaalsContact O-N 3.1Å; K270-L273 PolarHBondContact O-N 3.1Å; K270-K274 WeakPolarHBondContact O-CB 3.44Å; K270-K274 PolarHBondContact O-N 3.4Å
271	E	96.5	Very high	96.1	Very high	119 Å²	119	93.1 Å²	93.1	56%	0.556	47%	0.473	S	S	*	.	H	α-helix	trans	-66	-42.9	178.7	-72.5	160.1	-163	0	0	111.5	N267 K268 I269 K274 T275	N267-E271 WeakPolarHBondContact O-CB 3.5Å; N267-E271 VanDerWaalsContact O-CG 3.32Å; N267-E271 WeakPolarHBondContact O-CG 3.3Å; N267-E271 PolarHBondContact O-N 2.94Å; K268-E271 PolarHBondContact O-N 3.38Å; I269-E271 PolarHBondContact O-N 2.9Å; E271-K274 PolarHBondContact O-N 3.04Å; E271-T275 WeakPolarHBondContact O-CB 3.35Å; E271-T275 WeakPolarHBondContact O-CG2 3.45Å; E271-T275 PolarHBondContact O-N 2.9Å; E271-T275 PolarHBondContact O-OG1 3.42Å
272	G	96.3	Very high	96.1	Very high	32 Å²	32	93.2 Å²	93.2	33%	0.33	48%	0.477	S	S	.	.	H	α-helix	trans	-63	-43.2	173.8	0	0	0	0	0	113	K268 I269 T275 T276	K268-G272 PolarHBondContact O-N 2.71Å; I269-G272 PolarHBondContact O-N 3.08Å; G272-T275 PolarHBondContact O-OG1 3.39Å; G272-T275 VanDerWaalsContact O-OG1 3.09Å; G272-T276 WeakPolarHBondContact O-CB 3.23Å; G272-T276 WeakPolarHBondContact O-CG2 3.42Å; G272-T276 PolarHBondContact O-N 2.94Å; G272-T276 VanDerWaalsContact O-N 3.08Å; G272-T276 PolarHBondContact O-OG1 2.82Å
273	L	94.9	Very high	96	Very high	113 Å²	113	93.1 Å²	93.1	59%	0.592	48%	0.476	S	S	*	.	H	α-helix	trans	-69.3	-36.5	175.8	-69.5	174.5	0	0	0	112.3	I269 K270 T276 L277	I269-L273 HydrophobicContact CG2-CD1 3.87Å; I269-L273 HydrophobicContact CG2-CG 4.4Å; I269-L273 WeakPolarHBondContact O-CB 3.4Å; I269-L273 VanDerWaalsContact O-CG 3.32Å; I269-L273 WeakPolarHBondContact O-CG 3.34Å; I269-L273 PolarHBondContact O-N 2.83Å; K270-L273 PolarHBondContact O-N 3.1Å; L273-T276 WeakPolarHBondContact CA-OG1 3.47Å; L273-T276 PolarHBondContact O-OG1 3.01Å; L273-L277 WeakPolarHBondContact O-CB 3.15Å; L273-L277 PolarHBondContact O-N 3.13Å
274	K	97.5	Very high	95.9	Very high	111 Å²	111	93.2 Å²	93.2	48%	0.483	48%	0.481	S	S	.	.	H	α-helix	trans	-67.5	-45.7	176.6	176.8	54.3	174.1	154.3	0	111.8	K270 E271 L277 D278	K270-K274 WeakPolarHBondContact O-CB 3.44Å; K270-K274 PolarHBondContact O-N 3.4Å; E271-K274 PolarHBondContact O-N 3.04Å; K274-L277 PolarHBondContact O-N 2.85Å; K274-D278 WeakPolarHBondContact CD-OD2 3.39Å; K274-D278 WeakPolarHBondContact CE-OD2 3.45Å; K274-D278 IonicContact NZ-OD1 3.68Å; K274-D278 PolarHBondContact NZ-OD1 3.14Å; K274-D278 IonicContact NZ-OD2 2.67Å; K274-D278 PolarHBondContact NZ-OD2 3.18Å; K274-D278 WeakPolarHBondContact O-CB 3.38Å; K274-D278 VanDerWaalsContact O-CG 3.32Å; K274-D278 PolarHBondContact O-N 2.8Å
275	T	95.6	Very high	95.9	Very high	92 Å²	92	93.1 Å²	93.1	56%	0.564	48%	0.484	S	S	*	.	H	α-helix	trans	-66.7	-41.6	178.8	48.2	0	0	0	0	112.2	E271 G272 A279	E271-T275 WeakPolarHBondContact O-CB 3.35Å; E271-T275 WeakPolarHBondContact O-CG2 3.45Å; E271-T275 PolarHBondContact O-N 2.9Å; E271-T275 PolarHBondContact O-OG1 3.42Å; G272-T275 PolarHBondContact O-OG1 3.39Å; G272-T275 VanDerWaalsContact O-OG1 3.09Å; T275-A279 VanDerWaalsContact O-CB 3.27Å; T275-A279 WeakPolarHBondContact O-CB 3.3Å; T275-A279 PolarHBondContact O-N 3.09Å
276	T	95.3	Very high	96	Very high	86 Å²	86	94.5 Å²	94.5	53%	0.528	49%	0.49	S	S	.	.	H	α-helix	trans	-67.3	-40.3	174.4	48.8	0	0	0	0	112.8	G272 L273 A279 E280	G272-T276 WeakPolarHBondContact O-CB 3.23Å; G272-T276 WeakPolarHBondContact O-CG2 3.42Å; G272-T276 PolarHBondContact O-N 2.94Å; G272-T276 VanDerWaalsContact O-N 3.08Å; G272-T276 PolarHBondContact O-OG1 2.82Å; L273-T276 WeakPolarHBondContact CA-OG1 3.47Å; L273-T276 PolarHBondContact O-OG1 3.01Å; T276-A279 PolarHBondContact O-N 3.49Å; T276-E280 PolarHBondContact O-N 3.13Å
277	L	96.3	Very high	96	Very high	93 Å²	93	96.2 Å²	96.2	49%	0.487	50%	0.503	S	S	.	.	H	α-helix	trans	-62.5	-43	174.6	178	62.9	0	0	0	112.6	L273 K274 K281	L273-L277 WeakPolarHBondContact O-CB 3.15Å; L273-L277 PolarHBondContact O-N 3.13Å; K274-L277 PolarHBondContact O-N 2.85Å; L277-K281 HydrophobicContact CD1-CD 4.5Å; L277-K281 HydrophobicContact CG-CD 4.33Å; L277-K281 WeakPolarHBondContact O-CB 3.14Å; L277-K281 VanDerWaalsContact O-CG 3.25Å; L277-K281 WeakPolarHBondContact O-CG 3.35Å; L277-K281 PolarHBondContact O-N 2.84Å
278	D	96.6	Very high	96	Very high	54 Å²	54	99 Å²	99	29%	0.289	51%	0.514	S	S	.	.	H	α-helix	trans	-72.7	-34.8	179	-68.9	-17.1	0	0	0	111.8	K274 K281 L282	K274-D278 WeakPolarHBondContact CD-OD2 3.39Å; K274-D278 WeakPolarHBondContact CE-OD2 3.45Å; K274-D278 IonicContact NZ-OD1 3.68Å; K274-D278 PolarHBondContact NZ-OD1 3.14Å; K274-D278 IonicContact NZ-OD2 2.67Å; K274-D278 PolarHBondContact NZ-OD2 3.18Å; K274-D278 WeakPolarHBondContact O-CB 3.38Å; K274-D278 VanDerWaalsContact O-CG 3.32Å; K274-D278 PolarHBondContact O-N 2.8Å; D278-K281 PolarHBondContact O-N 2.82Å; D278-L282 WeakPolarHBondContact O-CG 3.4Å; D278-L282 PolarHBondContact O-N 3.34Å
279	A	95.8	Very high	96	Very high	57 Å²	57	98.7 Å²	98.7	47%	0.471	51%	0.514	S	S	.	.	H	α-helix	trans	-63.6	-45.9	172.9	0	0	0	0	0	112.1	T275 T276 K281 L282 R283	T275-A279 VanDerWaalsContact O-CB 3.27Å; T275-A279 WeakPolarHBondContact O-CB 3.3Å; T275-A279 PolarHBondContact O-N 3.09Å; T276-A279 PolarHBondContact O-N 3.49Å; A279-K281 VanDerWaalsContact C-N 3.35Å; A279-L282 PolarHBondContact O-N 3.35Å; A279-R283 WeakPolarHBondContact O-CB 3.36Å; A279-R283 PolarHBondContact O-N 2.84Å
280	E	94.4	Very high	96.1	Very high	95 Å²	95	96.8 Å²	96.8	44%	0.444	51%	0.505	S	S	.	.	H	α-helix	trans	-70.6	-30.8	178.1	-168.3	58	-153.6	0	0	111.9	T276 R283 S284	T276-E280 PolarHBondContact O-N 3.13Å; E280-R283 VanDerWaalsContact CD-NH1 3.29Å; E280-R283 PolarHBondContact O-N 2.93Å; E280-R283 IonicContact OE1-CZ 2.69Å; E280-R283 IonicContact OE1-NH1 3.45Å; E280-R283 PolarHBondContact OE1-NH1 3.13Å; E280-R283 WeakPolarHBondContact OE2-CD 3.31Å; E280-R283 IonicContact OE2-CZ 2.73Å; E280-R283 IonicContact OE2-NH1 3.31Å; E280-R283 PolarHBondContact OE2-NH1 3.37Å; E280-S284 VanDerWaalsContact O-CB 3.26Å; E280-S284 WeakPolarHBondContact O-CB 3.48Å; E280-S284 PolarHBondContact O-N 2.79Å
281	K	96.5	Very high	96.1	Very high	101 Å²	101	96.1 Å²	96.1	44%	0.439	51%	0.507	S	S	.	.	H	α-helix	trans	-62	-47.3	168.6	-78.8	170.6	179.5	175.6	0	112.3	L277 D278 A279 R283 S284 N285	L277-K281 HydrophobicContact CD1-CD 4.5Å; L277-K281 HydrophobicContact CG-CD 4.33Å; L277-K281 WeakPolarHBondContact O-CB 3.14Å; L277-K281 VanDerWaalsContact O-CG 3.25Å; L277-K281 WeakPolarHBondContact O-CG 3.35Å; L277-K281 PolarHBondContact O-N 2.84Å; D278-K281 PolarHBondContact O-N 2.82Å; A279-K281 VanDerWaalsContact C-N 3.35Å; K281-R283 VanDerWaalsContact C-N 3.29Å; K281-R283 PolarHBondContact O-N 2.84Å; K281-S284 PolarHBondContact O-N 2.95Å; K281-N285 WeakPolarHBondContact O-CB 3.45Å; K281-N285 PolarHBondContact O-N 2.76Å; K281-N285 PolarHBondContact O-OD1 2.78Å
282	L	96.7	Very high	96.1	Very high	127 Å²	127	97.2 Å²	97.2	67%	0.665	51%	0.51	S	S	*	.	H	α-helix	trans	-61.1	-40.7	176.4	-73.2	168.5	0	0	0	111.3	D278 A279 S286	D278-L282 WeakPolarHBondContact O-CG 3.4Å; D278-L282 PolarHBondContact O-N 3.34Å; A279-L282 PolarHBondContact O-N 3.35Å; L282-S286 WeakPolarHBondContact O-CB 3.2Å; L282-S286 PolarHBondContact O-N 2.82Å
283	R	95.4	Very high	96.1	Very high	158 Å²	158	99.5 Å²	99.5	60%	0.596	52%	0.515	S	S	*	.	H	α-helix	trans	-64.8	-44.5	175.4	-177.4	168.4	171.9	-97.4	-3.6	112.5	A279 E280 K281 S286 L287	A279-R283 WeakPolarHBondContact O-CB 3.36Å; A279-R283 PolarHBondContact O-N 2.84Å; E280-R283 VanDerWaalsContact CD-NH1 3.29Å; E280-R283 PolarHBondContact O-N 2.93Å; E280-R283 IonicContact OE1-CZ 2.69Å; E280-R283 IonicContact OE1-NH1 3.45Å; E280-R283 PolarHBondContact OE1-NH1 3.13Å; E280-R283 WeakPolarHBondContact OE2-CD 3.31Å; E280-R283 IonicContact OE2-CZ 2.73Å; E280-R283 IonicContact OE2-NH1 3.31Å; E280-R283 PolarHBondContact OE2-NH1 3.37Å; K281-R283 VanDerWaalsContact C-N 3.29Å; K281-R283 PolarHBondContact O-N 2.84Å; R283-S286 PolarHBondContact O-N 2.8Å; R283-L287 WeakPolarHBondContact O-CB 3.26Å; R283-L287 PolarHBondContact O-N 3.06Å
284	S	95.4	Very high	96.2	Very high	61 Å²	61	99.4 Å²	99.4	43%	0.427	51%	0.509	S	S	.	.	H	α-helix	trans	-61.4	-48.5	175.7	-172.7	0	0	0	0	111.4	E280 K281 S286 L287 E288	E280-S284 VanDerWaalsContact O-CB 3.26Å; E280-S284 WeakPolarHBondContact O-CB 3.48Å; E280-S284 PolarHBondContact O-N 2.79Å; K281-S284 PolarHBondContact O-N 2.95Å; S284-S286 VanDerWaalsContact C-N 3.32Å; S284-S286 PolarHBondContact O-N 3.12Å; S284-L287 PolarHBondContact O-N 2.87Å; S284-E288 WeakPolarHBondContact O-CB 3.49Å; S284-E288 PolarHBondContact O-N 3.08Å
285	N	96.8	Very high	96.2	Very high	98 Å²	98	97.5 Å²	97.5	52%	0.524	51%	0.507	S	S	.	.	H	α-helix	trans	-60.9	-40.6	178.2	-67.1	-0.1	0	0	0	111.7	K281 Q289	K281-N285 WeakPolarHBondContact O-CB 3.45Å; K281-N285 PolarHBondContact O-N 2.76Å; K281-N285 PolarHBondContact O-OD1 2.78Å; N285-Q289 WeakPolarHBondContact O-CB 3.35Å; N285-Q289 PolarHBondContact O-N 2.6Å
286	S	95.4	Very high	96.3	Very high	76 Å²	76	96.6 Å²	96.6	53%	0.531	50%	0.501	S	S	.	.	H	α-helix	trans	-65.9	-40	176.2	-173.5	0	0	0	0	112.4	L282 R283 S284 Q289 D290	L282-S286 WeakPolarHBondContact O-CB 3.2Å; L282-S286 PolarHBondContact O-N 2.82Å; R283-S286 PolarHBondContact O-N 2.8Å; S284-S286 VanDerWaalsContact C-N 3.32Å; S284-S286 PolarHBondContact O-N 3.12Å; S286-Q289 PolarHBondContact O-N 2.79Å; S286-D290 PolarHBondContact O-N 2.9Å
287	L	96.1	Very high	96.3	Very high	117 Å²	117	96.1 Å²	96.1	61%	0.613	49%	0.493	S	S	*	.	H	α-helix	trans	-70.1	-39.4	176.7	-176.7	61.6	0	0	0	112.3	R283 S284 Q289 D290 L291	R283-L287 WeakPolarHBondContact O-CB 3.26Å; R283-L287 PolarHBondContact O-N 3.06Å; S284-L287 PolarHBondContact O-N 2.87Å; L287-Q289 VanDerWaalsContact C-N 3.32Å; L287-D290 PolarHBondContact O-N 3.22Å; L287-L291 VanDerWaalsContact O-CB 3.27Å; L287-L291 WeakPolarHBondContact O-CB 3.41Å; L287-L291 PolarHBondContact O-N 3.07Å
288	E	97	Very high	96.3	Very high	127 Å²	127	95.3 Å²	95.3	59%	0.593	50%	0.495	S	S	*	.	H	α-helix	trans	-62.1	-41.3	172.4	-170.7	-172.5	152.3	0	0	110.9	S284 L291 K292	S284-E288 WeakPolarHBondContact O-CB 3.49Å; S284-E288 PolarHBondContact O-N 3.08Å; E288-L291 PolarHBondContact O-N 3.48Å; E288-K292 VanDerWaalsContact O-CB 3.27Å; E288-K292 WeakPolarHBondContact O-CB 3.47Å; E288-K292 PolarHBondContact O-N 2.84Å
289	Q	96.2	Very high	96.3	Very high	126 Å²	126	98.2 Å²	98.2	59%	0.589	51%	0.506	S	S	*	.	H	α-helix	trans	-64.7	-44.8	176	-173.4	175.4	-2	0	0	112.2	N285 S286 L287 K292 N293	N285-Q289 WeakPolarHBondContact O-CB 3.35Å; N285-Q289 PolarHBondContact O-N 2.6Å; S286-Q289 PolarHBondContact O-N 2.79Å; L287-Q289 VanDerWaalsContact C-N 3.32Å; Q289-K292 PolarHBondContact O-N 3.32Å; Q289-N293 PolarHBondContact O-N 2.98Å; Q289-N293 PolarHBondContact O-ND2 3.19Å; Q289-N293 PolarHBondContact O-OD1 3.01Å
290	D	96.4	Very high	96.4	Very high	67 Å²	67	101.3 Å²	101.3	36%	0.358	51%	0.506	S	S	.	.	H	α-helix	trans	-65.9	-42.8	175.1	-170.8	58.4	0	0	0	111.9	S286 L287 K292 N293 K294	S286-D290 PolarHBondContact O-N 2.9Å; L287-D290 PolarHBondContact O-N 3.22Å; D290-K292 VanDerWaalsContact C-N 3.3Å; D290-K292 PolarHBondContact O-N 3.16Å; D290-N293 CarbonylContact O-C 3.59Å; D290-N293 WeakPolarHBondContact O-CA 3.31Å; D290-N293 WeakPolarHBondContact O-CB 3.41Å; D290-N293 PolarHBondContact O-N 2.96Å; D290-N293 VanDerWaalsContact O-N 3.09Å; D290-K294 VanDerWaalsContact CG-NZ 3.3Å; D290-K294 WeakPolarHBondContact O-CG 3.44Å; D290-K294 PolarHBondContact O-N 2.93Å; D290-K294 WeakPolarHBondContact OD1-CE 3.41Å; D290-K294 IonicContact OD1-NZ 3.26Å; D290-K294 PolarHBondContact OD1-NZ 2.97Å; D290-K294 WeakPolarHBondContact OD2-CE 3.28Å; D290-K294 IonicContact OD2-NZ 2.83Å; D290-K294 PolarHBondContact OD2-NZ 3.41Å; D290-K294 VanDerWaalsContact OD2-NZ 3.11Å
291	L	96.2	Very high	96.6	Very high	108 Å²	108	100.2 Å²	100.2	57%	0.565	50%	0.503	S	S	*	.	H	α-helix	trans	-57.4	-44.1	175.3	178.8	61.4	0	0	0	111.3	L287 E288 N293 K294 V295	L287-L291 VanDerWaalsContact O-CB 3.27Å; L287-L291 WeakPolarHBondContact O-CB 3.41Å; L287-L291 PolarHBondContact O-N 3.07Å; E288-L291 PolarHBondContact O-N 3.48Å; L291-N293 VanDerWaalsContact C-N 3.35Å; L291-N293 PolarHBondContact O-N 2.86Å; L291-K294 PolarHBondContact O-N 3.31Å; L291-V295 HydrophobicContact CD1-CG2 4.44Å; L291-V295 WeakPolarHBondContact O-CG2 3.19Å; L291-V295 PolarHBondContact O-N 3.11Å
292	K	97.5	Very high	96.6	Very high	142 Å²	142	99.1 Å²	99.1	62%	0.617	51%	0.508	S	S	*	.	H	α-helix	trans	-60.3	-43.3	174.7	-173.3	174.3	-177	174	0	111.7	E288 Q289 D290 V295 T296	E288-K292 VanDerWaalsContact O-CB 3.27Å; E288-K292 WeakPolarHBondContact O-CB 3.47Å; E288-K292 PolarHBondContact O-N 2.84Å; Q289-K292 PolarHBondContact O-N 3.32Å; D290-K292 VanDerWaalsContact C-N 3.3Å; D290-K292 PolarHBondContact O-N 3.16Å; K292-V295 PolarHBondContact O-N 2.76Å; K292-T296 PolarHBondContact O-N 2.91Å; K292-T296 PolarHBondContact O-OG1 2.93Å
293	N	96.8	Very high	96.6	Very high	81 Å²	81	100 Å²	100	43%	0.433	51%	0.508	S	S	.	.	H	α-helix	trans	-62.9	-42.4	174.8	-63.7	-24.1	0	0	0	111.9	Q289 D290 L291 T296 E297	Q289-N293 PolarHBondContact O-N 2.98Å; Q289-N293 PolarHBondContact O-ND2 3.19Å; Q289-N293 PolarHBondContact O-OD1 3.01Å; D290-N293 CarbonylContact O-C 3.59Å; D290-N293 WeakPolarHBondContact O-CA 3.31Å; D290-N293 WeakPolarHBondContact O-CB 3.41Å; D290-N293 PolarHBondContact O-N 2.96Å; D290-N293 VanDerWaalsContact O-N 3.09Å; L291-N293 VanDerWaalsContact C-N 3.35Å; L291-N293 PolarHBondContact O-N 2.86Å; N293-T296 WeakPolarHBondContact CA-OG1 3.34Å; N293-T296 PolarHBondContact O-N 2.88Å; N293-T296 PolarHBondContact O-OG1 2.92Å; N293-E297 WeakPolarHBondContact O-CB 3.2Å; N293-E297 PolarHBondContact O-N 2.84Å
294	K	96.8	Very high	96.7	Very high	111 Å²	111	95.8 Å²	95.8	48%	0.483	50%	0.497	S	S	.	.	H	α-helix	trans	-63.7	-40.6	175	-60.2	-36.1	-170.7	-132.9	0	111.4	D290 L291 E297 C298	D290-K294 VanDerWaalsContact CG-NZ 3.3Å; D290-K294 WeakPolarHBondContact O-CG 3.44Å; D290-K294 PolarHBondContact O-N 2.93Å; D290-K294 WeakPolarHBondContact OD1-CE 3.41Å; D290-K294 IonicContact OD1-NZ 3.26Å; D290-K294 PolarHBondContact OD1-NZ 2.97Å; D290-K294 WeakPolarHBondContact OD2-CE 3.28Å; D290-K294 IonicContact OD2-NZ 2.83Å; D290-K294 PolarHBondContact OD2-NZ 3.41Å; D290-K294 VanDerWaalsContact OD2-NZ 3.11Å; L291-K294 PolarHBondContact O-N 3.31Å; K294-E297 PolarHBondContact O-N 2.84Å; K294-C298 WeakPolarHBondContact O-CB 3.37Å; K294-C298 PolarHBondContact O-N 3.11Å; K294-C298 PolarHBondContact O-SG 3.07Å
295	V	97.2	Very high	96.9	Very high	70 Å²	70	97.2 Å²	97.2	42%	0.424	50%	0.503	S	S	.	.	H	α-helix	trans	-63	-45.3	176.8	168.2	0	0	0	0	111.1	L291 K292 E297 C298 Q299	L291-V295 HydrophobicContact CD1-CG2 4.44Å; L291-V295 WeakPolarHBondContact O-CG2 3.19Å; L291-V295 PolarHBondContact O-N 3.11Å; K292-V295 PolarHBondContact O-N 2.76Å; V295-E297 VanDerWaalsContact C-N 3.35Å; V295-E297 PolarHBondContact O-N 2.89Å; V295-C298 PolarHBondContact O-N 2.68Å; V295-Q299 WeakPolarHBondContact O-CB 3.43Å; V295-Q299 VanDerWaalsContact O-CG 3.29Å; V295-Q299 WeakPolarHBondContact O-CG 3.28Å; V295-Q299 PolarHBondContact O-N 2.92Å
296	T	96.5	Very high	96.9	Very high	73 Å²	73	96.3 Å²	96.3	45%	0.448	51%	0.505	S	S	.	.	H	α-helix	trans	-65	-36.7	176.2	49.4	0	0	0	0	112.7	K292 N293 Q299 R300	K292-T296 PolarHBondContact O-N 2.91Å; K292-T296 PolarHBondContact O-OG1 2.93Å; N293-T296 WeakPolarHBondContact CA-OG1 3.34Å; N293-T296 PolarHBondContact O-N 2.88Å; N293-T296 PolarHBondContact O-OG1 2.92Å; T296-Q299 PolarHBondContact O-N 2.83Å; T296-R300 WeakPolarHBondContact O-CB 3.23Å; T296-R300 PolarHBondContact O-N 2.84Å
297	E	96.4	Very high	97	Very high	76 Å²	76	95.2 Å²	95.2	36%	0.355	50%	0.497	S	S	.	.	H	α-helix	trans	-69.2	-42.9	175.6	177.4	59.7	-174.2	0	0	111.7	N293 K294 V295 Q299 R300 L301	N293-E297 WeakPolarHBondContact O-CB 3.2Å; N293-E297 PolarHBondContact O-N 2.84Å; K294-E297 PolarHBondContact O-N 2.84Å; V295-E297 VanDerWaalsContact C-N 3.35Å; V295-E297 PolarHBondContact O-N 2.89Å; E297-Q299 VanDerWaalsContact C-N 3.29Å; E297-Q299 PolarHBondContact O-N 3.36Å; E297-R300 WeakPolarHBondContact O-CB 3.48Å; E297-R300 PolarHBondContact O-N 3.38Å; E297-R300 IonicContact OE1-CZ 2.7Å; E297-R300 IonicContact OE1-NE 2.88Å; E297-R300 IonicContact OE1-NH2 3.36Å; E297-R300 PolarHBondContact OE1-NH2 2.69Å; E297-R300 IonicContact OE2-CZ 3.67Å; E297-R300 IonicContact OE2-NE 3.83Å; E297-R300 PolarHBondContact OE2-NE 2.86Å; E297-R300 IonicContact OE2-NH2 2.74Å; E297-R300 PolarHBondContact OE2-NH2 2.93Å; E297-L301 HydrophobicContact CG-CD1 4.04Å; E297-L301 HydrophobicContact CG-CG 4.45Å; E297-L301 WeakPolarHBondContact O-CB 3.33Å; E297-L301 WeakPolarHBondContact O-CG 3.49Å; E297-L301 PolarHBondContact O-N 2.79Å
298	C	96.4	Very high	97	Very high	77 Å²	77	94.3 Å²	94.3	52%	0.52	49%	0.49	S	S	.	.	H	α-helix	trans	-61.2	-36.4	173.1	-74.6	0	0	0	0	112.2	K294 V295 S302	K294-C298 WeakPolarHBondContact O-CB 3.37Å; K294-C298 PolarHBondContact O-N 3.11Å; K294-C298 PolarHBondContact O-SG 3.07Å; V295-C298 PolarHBondContact O-N 2.68Å; C298-S302 VanDerWaalsContact O-CB 3.27Å; C298-S302 WeakPolarHBondContact O-CB 3.42Å; C298-S302 PolarHBondContact O-N 2.78Å; C298-S302 PolarHBondContact O-OG 3.17Å
299	Q	97.3	Very high	97.1	Very high	114 Å²	114	95.9 Å²	95.9	53%	0.533	50%	0.495	S	S	.	.	H	α-helix	trans	-65.4	-46.3	172.6	-74.4	170.5	-7	0	0	111.5	V295 T296 E297 L301 S302 Q303	V295-Q299 WeakPolarHBondContact O-CB 3.43Å; V295-Q299 VanDerWaalsContact O-CG 3.29Å; V295-Q299 WeakPolarHBondContact O-CG 3.28Å; V295-Q299 PolarHBondContact O-N 2.92Å; T296-Q299 PolarHBondContact O-N 2.83Å; E297-Q299 VanDerWaalsContact C-N 3.29Å; E297-Q299 PolarHBondContact O-N 3.36Å; Q299-L301 PolarHBondContact O-N 3.07Å; Q299-S302 PolarHBondContact O-N 2.89Å; Q299-Q303 WeakPolarHBondContact O-CG 3.3Å; Q299-Q303 PolarHBondContact O-N 3.14Å
300	R	97	Very high	97.1	Very high	122 Å²	122	92.7 Å²	92.7	46%	0.46	49%	0.486	S	S	.	.	H	α-helix	trans	-60	-45.2	176.4	-169.2	-168.5	70	79.1	0.5	112.1	T296 E297 Q303 L304	T296-R300 WeakPolarHBondContact O-CB 3.23Å; T296-R300 PolarHBondContact O-N 2.84Å; E297-R300 WeakPolarHBondContact O-CB 3.48Å; E297-R300 PolarHBondContact O-N 3.38Å; E297-R300 IonicContact OE1-CZ 2.7Å; E297-R300 IonicContact OE1-NE 2.88Å; E297-R300 IonicContact OE1-NH2 3.36Å; E297-R300 PolarHBondContact OE1-NH2 2.69Å; E297-R300 IonicContact OE2-CZ 3.67Å; E297-R300 IonicContact OE2-NE 3.83Å; E297-R300 PolarHBondContact OE2-NE 2.86Å; E297-R300 IonicContact OE2-NH2 2.74Å; E297-R300 PolarHBondContact OE2-NH2 2.93Å; R300-Q303 PolarHBondContact O-N 3.45Å; R300-L304 PolarHBondContact O-N 2.58Å
301	L	97.5	Very high	97.2	Very high	73 Å²	73	93.5 Å²	93.5	38%	0.382	49%	0.49	S	S	.	.	H	α-helix	trans	-66.3	-38.3	176.1	-69.2	172.5	0	0	0	111.9	E297 Q299 L304 V305	E297-L301 HydrophobicContact CG-CD1 4.04Å; E297-L301 HydrophobicContact CG-CG 4.45Å; E297-L301 WeakPolarHBondContact O-CB 3.33Å; E297-L301 WeakPolarHBondContact O-CG 3.49Å; E297-L301 PolarHBondContact O-N 2.79Å; Q299-L301 PolarHBondContact O-N 3.07Å; L301-L304 PolarHBondContact O-N 2.97Å; L301-V305 WeakPolarHBondContact O-CB 3.47Å; L301-V305 WeakPolarHBondContact O-CG2 3.24Å; L301-V305 PolarHBondContact O-N 3.41Å
302	S	97.6	Very high	97.3	Very high	78 Å²	78	94.4 Å²	94.4	55%	0.545	50%	0.495	S	S	.	.	H	α-helix	trans	-64.5	-39.4	175.1	-60.9	0	0	0	0	112.1	C298 Q299 S306	C298-S302 VanDerWaalsContact O-CB 3.27Å; C298-S302 WeakPolarHBondContact O-CB 3.42Å; C298-S302 PolarHBondContact O-N 2.78Å; C298-S302 PolarHBondContact O-OG 3.17Å; Q299-S302 PolarHBondContact O-N 2.89Å; S302-S306 WeakPolarHBondContact O-CB 3.4Å; S302-S306 PolarHBondContact O-N 2.94Å
303	Q	97	Very high	97.3	Very high	144 Å²	144	94.7 Å²	94.7	67%	0.673	49%	0.493	S	S	*	.	H	α-helix	trans	-64.2	-44.8	172.9	-74	177.4	-13.4	0	0	111.7	Q299 R300 S306 S307	Q299-Q303 WeakPolarHBondContact O-CG 3.3Å; Q299-Q303 PolarHBondContact O-N 3.14Å; R300-Q303 PolarHBondContact O-N 3.45Å; Q303-S306 WeakPolarHBondContact O-CB 3.35Å; Q303-S306 PolarHBondContact O-N 2.89Å; Q303-S307 PolarHBondContact O-N 2.92Å
304	L	98	Very high	97.3	Very high	70 Å²	70	94.1 Å²	94.1	37%	0.366	49%	0.49	S	S	.	.	H	α-helix	trans	-62.6	-43.4	177.4	179.6	62.2	0	0	0	112.6	R300 L301 S306 S307 Q308	R300-L304 PolarHBondContact O-N 2.58Å; L301-L304 PolarHBondContact O-N 2.97Å; L304-S306 VanDerWaalsContact C-N 3.28Å; L304-S306 PolarHBondContact O-N 2.87Å; L304-S307 PolarHBondContact O-N 2.82Å; L304-S307 PolarHBondContact O-OG 3.03Å; L304-Q308 HydrophobicContact CD1-CG 4.23Å; L304-Q308 WeakPolarHBondContact O-CB 3.26Å; L304-Q308 VanDerWaalsContact O-CG 3.31Å; L304-Q308 WeakPolarHBondContact O-CG 3.35Å; L304-Q308 PolarHBondContact O-N 2.8Å
305	V	98	Very high	97.4	Very high	91 Å²	91	92.2 Å²	92.2	55%	0.552	49%	0.49	S	S	*	.	H	α-helix	trans	-64.8	-35.3	174.7	170	0	0	0	0	110.9	L301 K309	L301-V305 WeakPolarHBondContact O-CB 3.47Å; L301-V305 WeakPolarHBondContact O-CG2 3.24Å; L301-V305 PolarHBondContact O-N 3.41Å; V305-K309 WeakPolarHBondContact O-CB 3.46Å; V305-K309 PolarHBondContact O-N 2.94Å
306	S	97.1	Very high	97.4	Very high	80 Å²	80	97.6 Å²	97.6	56%	0.559	50%	0.503	S	S	*	.	H	α-helix	trans	-66.3	-45.2	174.9	-163.6	0	0	0	0	112.2	S302 Q303 L304 K309 S310	S302-S306 WeakPolarHBondContact O-CB 3.4Å; S302-S306 PolarHBondContact O-N 2.94Å; Q303-S306 WeakPolarHBondContact O-CB 3.35Å; Q303-S306 PolarHBondContact O-N 2.89Å; L304-S306 VanDerWaalsContact C-N 3.28Å; L304-S306 PolarHBondContact O-N 2.87Å; S306-K309 PolarHBondContact O-N 2.84Å; S306-S310 PolarHBondContact O-N 2.89Å
307	S	97.3	Very high	97.4	Very high	52 Å²	52	97.2 Å²	97.2	36%	0.364	50%	0.498	S	S	.	.	H	α-helix	trans	-65.4	-49.9	176.9	68.7	0	0	0	0	111.1	Q303 L304 K309 S310 D311	Q303-S307 PolarHBondContact O-N 2.92Å; L304-S307 PolarHBondContact O-N 2.82Å; L304-S307 PolarHBondContact O-OG 3.03Å; S307-K309 PolarHBondContact O-N 3.11Å; S307-S310 CarbonylContact O-C 3.57Å; S307-S310 WeakPolarHBondContact O-CA 3.32Å; S307-S310 VanDerWaalsContact O-CB 3.27Å; S307-S310 WeakPolarHBondContact O-CB 3.21Å; S307-S310 PolarHBondContact O-N 3.12Å; S307-D311 PolarHBondContact O-N 2.87Å; S307-D311 VanDerWaalsContact O-OD2 3.12Å
308	Q	97.5	Very high	97.5	Very high	99 Å²	99	99.2 Å²	99.2	46%	0.463	51%	0.507	S	S	.	.	H	α-helix	trans	-57.7	-34.7	176.5	-72.6	179.6	-30	0	0	112.7	L304 D311 L312	L304-Q308 HydrophobicContact CD1-CG 4.23Å; L304-Q308 WeakPolarHBondContact O-CB 3.26Å; L304-Q308 VanDerWaalsContact O-CG 3.31Å; L304-Q308 WeakPolarHBondContact O-CG 3.35Å; L304-Q308 PolarHBondContact O-N 2.8Å; Q308-D311 PolarHBondContact O-N 3.04Å; Q308-L312 VanDerWaalsContact O-CB 3.31Å; Q308-L312 WeakPolarHBondContact O-CB 3.34Å; Q308-L312 VanDerWaalsContact O-CG 3.23Å; Q308-L312 WeakPolarHBondContact O-CG 3.39Å; Q308-L312 PolarHBondContact O-N 2.83Å
309	K	98	Very high	97.5	Very high	160 Å²	160	99.3 Å²	99.3	70%	0.696	50%	0.502	S	S	*	.	H	α-helix	trans	-68.8	-36.7	173.9	-176.8	179.2	178.1	-176.3	0	112.5	V305 S306 S307 Y313	V305-K309 WeakPolarHBondContact O-CB 3.46Å; V305-K309 PolarHBondContact O-N 2.94Å; S306-K309 PolarHBondContact O-N 2.84Å; S307-K309 PolarHBondContact O-N 3.11Å; K309-Y313 WeakPolarHBondContact O-CB 3.36Å; K309-Y313 PolarHBondContact O-N 3.15Å; K309-Y313 VanDerWaalsContact O-N 3.1Å
310	S	97.5	Very high	97.6	Very high	58 Å²	58	97.8 Å²	97.8	41%	0.406	50%	0.495	S	S	.	.	H	α-helix	trans	-65.2	-46	171.4	-175.8	0	0	0	0	111.2	S306 S307 L312 Y313 N314	S306-S310 PolarHBondContact O-N 2.89Å; S307-S310 CarbonylContact O-C 3.57Å; S307-S310 WeakPolarHBondContact O-CA 3.32Å; S307-S310 VanDerWaalsContact O-CB 3.27Å; S307-S310 WeakPolarHBondContact O-CB 3.21Å; S307-S310 PolarHBondContact O-N 3.12Å; S310-L312 PolarHBondContact O-N 2.9Å; S310-Y313 WeakPolarHBondContact O-CB 3.27Å; S310-Y313 PolarHBondContact O-N 3.24Å; S310-Y313 VanDerWaalsContact O-N 3.13Å; S310-N314 VanDerWaalsContact O-CG 3.28Å; S310-N314 PolarHBondContact O-N 3.08Å; S310-N314 PolarHBondContact O-ND2 3.26Å
311	D	97.9	Very high	97.6	Very high	84 Å²	84	95.9 Å²	95.9	45%	0.449	50%	0.497	S	S	.	.	H	α-helix	trans	-64.6	-43.3	-179	-56.8	-31.9	0	0	0	111.2	S307 Q308 Y313 N314 C315	S307-D311 PolarHBondContact O-N 2.87Å; S307-D311 VanDerWaalsContact O-OD2 3.12Å; Q308-D311 PolarHBondContact O-N 3.04Å; D311-Y313 VanDerWaalsContact C-N 3.3Å; D311-Y313 PolarHBondContact O-N 3.37Å; D311-N314 PolarHBondContact O-N 2.77Å; D311-C315 WeakPolarHBondContact O-CB 3.3Å; D311-C315 PolarHBondContact O-N 2.93Å; D311-C315 PolarHBondContact O-SG 3.45Å
312	L	97.9	Very high	97.5	Very high	127 Å²	127	96.1 Å²	96.1	67%	0.665	50%	0.502	S	S	*	.	H	α-helix	trans	-63.9	-32.4	173	-74.7	171	0	0	0	112.9	Q308 S310 R316	Q308-L312 VanDerWaalsContact O-CB 3.31Å; Q308-L312 WeakPolarHBondContact O-CB 3.34Å; Q308-L312 VanDerWaalsContact O-CG 3.23Å; Q308-L312 WeakPolarHBondContact O-CG 3.39Å; Q308-L312 PolarHBondContact O-N 2.83Å; S310-L312 PolarHBondContact O-N 2.9Å; L312-R316 WeakPolarHBondContact O-CB 3.32Å; L312-R316 PolarHBondContact O-N 3.35Å; L312-R316 VanDerWaalsContact O-N 3.07Å
313	Y	97.6	Very high	97.5	Very high	148 Å²	148	98.7 Å²	98.7	58%	0.58	50%	0.499	S	S	*	.	H	α-helix	trans	-69.5	-44.6	173.5	-179.5	-103.9	0	0	0	111.2	K309 S310 D311 R316 N317	K309-Y313 WeakPolarHBondContact O-CB 3.36Å; K309-Y313 PolarHBondContact O-N 3.15Å; K309-Y313 VanDerWaalsContact O-N 3.1Å; S310-Y313 WeakPolarHBondContact O-CB 3.27Å; S310-Y313 PolarHBondContact O-N 3.24Å; S310-Y313 VanDerWaalsContact O-N 3.13Å; D311-Y313 VanDerWaalsContact C-N 3.3Å; D311-Y313 PolarHBondContact O-N 3.37Å; Y313-R316 PolarHBondContact O-N 3Å; Y313-N317 WeakPolarHBondContact CD1-ND2 3.47Å; Y313-N317 WeakPolarHBondContact CE1-ND2 3.35Å; Y313-N317 PolarHBondContact O-N 3.28Å; Y313-N317 PolarHBondContact O-ND2 3.23Å; Y313-N317 VanDerWaalsContact O-ND2 3.14Å
314	N	97.8	Very high	97.5	Very high	69 Å²	69	97.3 Å²	97.3	37%	0.369	49%	0.491	S	S	.	.	H	α-helix	trans	-61.9	-53.4	176.8	-66.7	-18.6	0	0	0	111.4	S310 D311 R316 N317 E318	S310-N314 VanDerWaalsContact O-CG 3.28Å; S310-N314 PolarHBondContact O-N 3.08Å; S310-N314 PolarHBondContact O-ND2 3.26Å; D311-N314 PolarHBondContact O-N 2.77Å; N314-R316 PolarHBondContact O-N 2.77Å; N314-N317 WeakPolarHBondContact O-CB 3.45Å; N314-N317 PolarHBondContact O-N 3.43Å; N314-E318 WeakPolarHBondContact O-CG 3.42Å; N314-E318 PolarHBondContact O-N 3.11Å
315	C	97.1	Very high	97.5	Very high	71 Å²	71	99 Å²	99	48%	0.48	50%	0.497	S	S	.	.	H	α-helix	trans	-58.7	-35.1	177.2	-64.3	0	0	0	0	112.2	D311 L319	D311-C315 WeakPolarHBondContact O-CB 3.3Å; D311-C315 PolarHBondContact O-N 2.93Å; D311-C315 PolarHBondContact O-SG 3.45Å; C315-L319 WeakPolarHBondContact O-CB 3.04Å; C315-L319 PolarHBondContact O-N 2.97Å
316	R	97.8	Very high	97.5	Very high	184 Å²	184	99.4 Å²	99.4	69%	0.694	50%	0.496	S	S	*	.	H	α-helix	trans	-67.9	-38.4	174.9	-176.6	-178.6	-177	101	2.5	112.2	L312 Y313 N314 E320	L312-R316 WeakPolarHBondContact O-CB 3.32Å; L312-R316 PolarHBondContact O-N 3.35Å; L312-R316 VanDerWaalsContact O-N 3.07Å; Y313-R316 PolarHBondContact O-N 3Å; N314-R316 PolarHBondContact O-N 2.77Å; R316-E320 PolarHBondContact O-N 3.03Å; R316-E320 VanDerWaalsContact O-N 3.08Å
317	N	97.7	Very high	97.5	Very high	65 Å²	65	101 Å²	101	35%	0.348	49%	0.489	S	S	.	.	H	α-helix	trans	-68.6	-45.8	176.7	-65	-28.5	0	0	0	110.9	Y313 N314 L319 E320 T321	Y313-N317 WeakPolarHBondContact CD1-ND2 3.47Å; Y313-N317 WeakPolarHBondContact CE1-ND2 3.35Å; Y313-N317 PolarHBondContact O-N 3.28Å; Y313-N317 PolarHBondContact O-ND2 3.23Å; Y313-N317 VanDerWaalsContact O-ND2 3.14Å; N314-N317 WeakPolarHBondContact O-CB 3.45Å; N314-N317 PolarHBondContact O-N 3.43Å; N317-L319 VanDerWaalsContact C-N 3.32Å; N317-L319 PolarHBondContact O-N 3.1Å; N317-E320 PolarHBondContact O-N 2.86Å; N317-E320 VanDerWaalsContact O-N 3.15Å; N317-T321 PolarHBondContact O-N 2.83Å; N317-T321 PolarHBondContact O-OG1 3.04Å
318	E	97.9	Very high	97.6	Very high	118 Å²	118	101.3 Å²	101.3	55%	0.551	49%	0.487	S	S	*	.	H	α-helix	trans	-59.1	-41.5	174.7	-70.4	169.4	-168.4	0	0	112.2	N314 E320 T321 T322	N314-E318 WeakPolarHBondContact O-CG 3.42Å; N314-E318 PolarHBondContact O-N 3.11Å; E318-E320 VanDerWaalsContact C-N 3.34Å; E318-E320 PolarHBondContact O-N 2.57Å; E318-T321 WeakPolarHBondContact CA-OG1 3.42Å; E318-T321 PolarHBondContact O-N 3.3Å; E318-T321 PolarHBondContact O-OG1 2.96Å; E318-T322 WeakPolarHBondContact O-CB 3.34Å; E318-T322 WeakPolarHBondContact O-CG2 3.43Å; E318-T322 PolarHBondContact O-N 3.17Å; E318-T322 PolarHBondContact O-OG1 2.68Å
319	L	97	Very high	97.5	Very high	78 Å²	78	103 Å²	103	41%	0.408	49%	0.493	S	S	.	.	H	α-helix	trans	-65.8	-33.5	175.4	172.3	146.7	0	0	0	112.5	C315 N317 T322 R323	C315-L319 WeakPolarHBondContact O-CB 3.04Å; C315-L319 PolarHBondContact O-N 2.97Å; N317-L319 VanDerWaalsContact C-N 3.32Å; N317-L319 PolarHBondContact O-N 3.1Å; L319-T322 WeakPolarHBondContact CA-OG1 3.38Å; L319-T322 PolarHBondContact O-OG1 3.31Å; L319-R323 VanDerWaalsContact O-CB 3.27Å; L319-R323 WeakPolarHBondContact O-CB 3.39Å; L319-R323 VanDerWaalsContact O-CD 3.31Å; L319-R323 WeakPolarHBondContact O-CD 3.28Å; L319-R323 WeakPolarHBondContact O-CG 3.41Å; L319-R323 PolarHBondContact O-N 3.46Å; L319-R323 VanDerWaalsContact O-N 3.09Å
320	E	97.8	Very high	97.5	Very high	82 Å²	82	99.7 Å²	99.7	38%	0.383	48%	0.48	S	S	.	.	H	α-helix	trans	-82.1	-31.7	175.2	-166	54.3	-136.5	0	0	112.9	R316 N317 E318 K324 R327	R316-E320 PolarHBondContact O-N 3.03Å; R316-E320 VanDerWaalsContact O-N 3.08Å; N317-E320 PolarHBondContact O-N 2.86Å; N317-E320 VanDerWaalsContact O-N 3.15Å; E318-E320 VanDerWaalsContact C-N 3.34Å; E318-E320 PolarHBondContact O-N 2.57Å; E320-K324 WeakPolarHBondContact O-CB 3.38Å; E320-K324 PolarHBondContact O-N 2.82Å; E320-R327 IonicContact OE1-CZ 2.65Å; E320-R327 VanDerWaalsContact OE1-CZ 3.26Å; E320-R327 IonicContact OE1-NH1 3.15Å; E320-R327 PolarHBondContact OE1-NH1 2.88Å; E320-R327 IonicContact OE1-NH2 2.7Å; E320-R327 PolarHBondContact OE1-NH2 3.45Å
321	T	97.3	Very high	97.5	Very high	82 Å²	82	103.6 Å²	103.6	50%	0.503	49%	0.492	S	S	.	.	H	α-helix	trans	-67.3	-43.7	172.5	53.1	0	0	0	0	111.4	N317 E318 K324 Q325	N317-T321 PolarHBondContact O-N 2.83Å; N317-T321 PolarHBondContact O-OG1 3.04Å; E318-T321 WeakPolarHBondContact CA-OG1 3.42Å; E318-T321 PolarHBondContact O-N 3.3Å; E318-T321 PolarHBondContact O-OG1 2.96Å; T321-K324 WeakPolarHBondContact O-CB 3.44Å; T321-K324 PolarHBondContact O-N 3.45Å; T321-Q325 WeakPolarHBondContact O-CG 3.36Å; T321-Q325 PolarHBondContact O-N 3.46Å
322	T	95.7	Very high	97.5	Very high	78 Å²	78	105.3 Å²	105.3	48%	0.479	50%	0.497	S	S	.	.	H	α-helix	trans	-66.2	-39.9	174.9	50.6	0	0	0	0	112.3	E318 L319 K324 Q325 L326	E318-T322 WeakPolarHBondContact O-CB 3.34Å; E318-T322 WeakPolarHBondContact O-CG2 3.43Å; E318-T322 PolarHBondContact O-N 3.17Å; E318-T322 PolarHBondContact O-OG1 2.68Å; L319-T322 WeakPolarHBondContact CA-OG1 3.38Å; L319-T322 PolarHBondContact O-OG1 3.31Å; T322-K324 VanDerWaalsContact C-N 3.31Å; T322-K324 PolarHBondContact O-N 2.79Å; T322-Q325 PolarHBondContact O-N 3.4Å; T322-L326 WeakPolarHBondContact O-CB 3.47Å; T322-L326 PolarHBondContact O-N 3.05Å
323	R	97.8	Very high	97.4	Very high	132 Å²	132	104 Å²	104	50%	0.498	49%	0.491	S	S	.	.	H	α-helix	trans	-61.5	-36.9	169.7	-79.1	170.8	175.9	-171.5	-2.2	112.9	L319 R327	L319-R323 VanDerWaalsContact O-CB 3.27Å; L319-R323 WeakPolarHBondContact O-CB 3.39Å; L319-R323 VanDerWaalsContact O-CD 3.31Å; L319-R323 WeakPolarHBondContact O-CD 3.28Å; L319-R323 WeakPolarHBondContact O-CG 3.41Å; L319-R323 PolarHBondContact O-N 3.46Å; L319-R323 VanDerWaalsContact O-N 3.09Å; R323-R327 WeakPolarHBondContact O-CG 3.12Å; R323-R327 PolarHBondContact O-N 2.75Å
324	K	97.2	Very high	97.4	Very high	116 Å²	116	102.6 Å²	102.6	50%	0.504	49%	0.487	S	S	.	.	H	α-helix	trans	-64.7	-50.2	173.5	-168.5	-164.6	167.2	-167.5	0	110.7	E320 T321 T322 L326 R327 D328	E320-K324 WeakPolarHBondContact O-CB 3.38Å; E320-K324 PolarHBondContact O-N 2.82Å; T321-K324 WeakPolarHBondContact O-CB 3.44Å; T321-K324 PolarHBondContact O-N 3.45Å; T322-K324 VanDerWaalsContact C-N 3.31Å; T322-K324 PolarHBondContact O-N 2.79Å; K324-L326 VanDerWaalsContact C-N 3.26Å; K324-L326 PolarHBondContact O-N 3.24Å; K324-R327 PolarHBondContact O-N 2.82Å; K324-R327 VanDerWaalsContact O-N 3.1Å; K324-D328 WeakPolarHBondContact CE-OD2 3.36Å; K324-D328 WeakPolarHBondContact O-CB 3.4Å; K324-D328 PolarHBondContact O-N 3.28Å
325	Q	98	Very high	97.4	Very high	106 Å²	106	104.7 Å²	104.7	50%	0.495	49%	0.493	S	S	.	.	H	α-helix	trans	-56.5	-40.9	177	-70.5	169.8	-56.5	0	0	111.9	T321 T322 D328 F329	T321-Q325 WeakPolarHBondContact O-CG 3.36Å; T321-Q325 PolarHBondContact O-N 3.46Å; T322-Q325 PolarHBondContact O-N 3.4Å; Q325-D328 PolarHBondContact O-N 2.63Å; Q325-F329 HydrophobicContact CB-CE2 4.41Å; Q325-F329 WeakPolarHBondContact O-CB 3.49Å; Q325-F329 WeakPolarHBondContact O-CD2 3.38Å; Q325-F329 WeakPolarHBondContact O-CG 3.41Å; Q325-F329 PolarHBondContact O-N 2.93Å
326	L	98.1	Very high	97.4	Very high	98 Å²	98	105.2 Å²	105.2	51%	0.513	49%	0.491	S	S	.	.	H	α-helix	trans	-61	-48.7	174.4	-179	62.1	0	0	0	111.8	T322 K324 D328 F329 E330	T322-L326 WeakPolarHBondContact O-CB 3.47Å; T322-L326 PolarHBondContact O-N 3.05Å; K324-L326 VanDerWaalsContact C-N 3.26Å; K324-L326 PolarHBondContact O-N 3.24Å; L326-D328 VanDerWaalsContact C-N 3.33Å; L326-D328 PolarHBondContact O-N 2.89Å; L326-F329 PolarHBondContact O-N 2.95Å; L326-E330 HydrophobicContact CD1-CG 4.36Å; L326-E330 HydrophobicContact CG-CG 4.48Å; L326-E330 WeakPolarHBondContact O-CB 3.35Å; L326-E330 WeakPolarHBondContact O-CG 3.39Å; L326-E330 PolarHBondContact O-N 2.95Å
327	R	97.7	Very high	97.4	Very high	114 Å²	114	100.9 Å²	100.9	43%	0.43	48%	0.479	S	S	.	.	H	α-helix	trans	-61.3	-40.6	175.8	-68.8	178.6	-56	-119.7	2.9	112.3	E320 R323 K324 E330 Q331	E320-R327 IonicContact OE1-CZ 2.65Å; E320-R327 VanDerWaalsContact OE1-CZ 3.26Å; E320-R327 IonicContact OE1-NH1 3.15Å; E320-R327 PolarHBondContact OE1-NH1 2.88Å; E320-R327 IonicContact OE1-NH2 2.7Å; E320-R327 PolarHBondContact OE1-NH2 3.45Å; R323-R327 WeakPolarHBondContact O-CG 3.12Å; R323-R327 PolarHBondContact O-N 2.75Å; K324-R327 PolarHBondContact O-N 2.82Å; K324-R327 VanDerWaalsContact O-N 3.1Å; R327-E330 PolarHBondContact O-N 3.38Å; R327-Q331 WeakPolarHBondContact O-CB 3.35Å; R327-Q331 PolarHBondContact O-N 3.42Å
328	D	97.4	Very high	97.4	Very high	59 Å²	59	103.8 Å²	103.8	32%	0.316	49%	0.49	S	S	.	.	H	α-helix	trans	-64.5	-40.2	177.8	-63.8	-15.8	0	0	0	110.4	K324 Q325 L326 Q332	K324-D328 WeakPolarHBondContact CE-OD2 3.36Å; K324-D328 WeakPolarHBondContact O-CB 3.4Å; K324-D328 PolarHBondContact O-N 3.28Å; Q325-D328 PolarHBondContact O-N 2.63Å; L326-D328 VanDerWaalsContact C-N 3.33Å; L326-D328 PolarHBondContact O-N 2.89Å; D328-Q332 WeakPolarHBondContact O-CG 3.43Å; D328-Q332 PolarHBondContact O-N 3.32Å
329	F	97.3	Very high	97.4	Very high	133 Å²	133	104.1 Å²	104.1	58%	0.583	49%	0.49	S	S	*	.	H	α-helix	trans	-71.8	-40.6	173.9	-72	-49.3	0	0	0	113.5	Q325 L326 Q331 Q332 L333	Q325-F329 HydrophobicContact CB-CE2 4.41Å; Q325-F329 WeakPolarHBondContact O-CB 3.49Å; Q325-F329 WeakPolarHBondContact O-CD2 3.38Å; Q325-F329 WeakPolarHBondContact O-CG 3.41Å; Q325-F329 PolarHBondContact O-N 2.93Å; L326-F329 PolarHBondContact O-N 2.95Å; F329-Q331 VanDerWaalsContact C-N 3.27Å; F329-Q331 PolarHBondContact O-N 2.87Å; F329-Q332 PolarHBondContact O-N 2.79Å; F329-L333 WeakPolarHBondContact O-CB 3.45Å; F329-L333 PolarHBondContact O-N 3.29Å
330	E	97.7	Very high	97.3	Very high	92 Å²	92	104.4 Å²	104.4	43%	0.43	49%	0.492	S	S	.	.	H	α-helix	trans	-59.7	-38.8	173.4	-76.6	175.2	-174	0	0	111.4	L326 R327 K334	L326-E330 HydrophobicContact CD1-CG 4.36Å; L326-E330 HydrophobicContact CG-CG 4.48Å; L326-E330 WeakPolarHBondContact O-CB 3.35Å; L326-E330 WeakPolarHBondContact O-CG 3.39Å; L326-E330 PolarHBondContact O-N 2.95Å; R327-E330 PolarHBondContact O-N 3.38Å; E330-K334 WeakPolarHBondContact O-CB 3.5Å; E330-K334 WeakPolarHBondContact O-CG 2.78Å; E330-K334 PolarHBondContact O-N 3.44Å
331	Q	97.2	Very high	97.3	Very high	139 Å²	139	106.3 Å²	106.3	65%	0.65	50%	0.5	S	S	*	.	H	α-helix	trans	-68.8	-41.8	175.3	-171.8	175.8	15.1	0	0	111.9	R327 F329 F335	R327-Q331 WeakPolarHBondContact O-CB 3.35Å; R327-Q331 PolarHBondContact O-N 3.42Å; F329-Q331 VanDerWaalsContact C-N 3.27Å; F329-Q331 PolarHBondContact O-N 2.87Å; Q331-F335 WeakPolarHBondContact O-CB 3.49Å; Q331-F335 PolarHBondContact O-N 2.86Å
332	Q	97.1	Very high	97.3	Very high	121 Å²	121	107.2 Å²	107.2	57%	0.565	50%	0.499	S	S	*	.	H	α-helix	trans	-63.6	-40.5	174.2	-74.7	175.3	17.3	0	0	112.3	D328 F329 N336	D328-Q332 WeakPolarHBondContact O-CG 3.43Å; D328-Q332 PolarHBondContact O-N 3.32Å; F329-Q332 PolarHBondContact O-N 2.79Å; Q332-N336 WeakPolarHBondContact O-CB 3.49Å; Q332-N336 PolarHBondContact O-N 2.72Å
333	L	96.7	Very high	97.4	Very high	100 Å²	100	107.3 Å²	107.3	52%	0.524	50%	0.496	S	S	.	.	H	α-helix	trans	-63.1	-50.9	177.5	-175.2	64.7	0	0	0	110.5	F329 F335 N336 E337	F329-L333 WeakPolarHBondContact O-CB 3.45Å; F329-L333 PolarHBondContact O-N 3.29Å; L333-F335 PolarHBondContact O-N 3.29Å; L333-N336 CarbonylContact O-C 3.59Å; L333-N336 WeakPolarHBondContact O-CB 3.34Å; L333-N336 PolarHBondContact O-N 3.14Å; L333-N336 VanDerWaalsContact O-N 3.09Å; L333-E337 WeakPolarHBondContact O-CG 3.32Å; L333-E337 PolarHBondContact O-N 2.9Å
334	K	97.5	Very high	97.4	Very high	117 Å²	117	105 Å²	105	51%	0.509	49%	0.492	S	S	.	.	H	α-helix	trans	-58	-46.1	176.4	-75.7	172.8	179.3	170	0	112.6	E330 N336 E337 E338	E330-K334 WeakPolarHBondContact O-CB 3.5Å; E330-K334 WeakPolarHBondContact O-CG 2.78Å; E330-K334 PolarHBondContact O-N 3.44Å; K334-N336 VanDerWaalsContact C-N 3.26Å; K334-N336 PolarHBondContact O-N 3.46Å; K334-E337 PolarHBondContact O-N 3.01Å; K334-E338 WeakPolarHBondContact O-CB 3.25Å; K334-E338 VanDerWaalsContact O-CG 3.26Å; K334-E338 WeakPolarHBondContact O-CG 3.48Å; K334-E338 PolarHBondContact O-N 3.27Å
335	F	97.2	Very high	97.4	Very high	113 Å²	113	103.1 Å²	103.1	50%	0.496	49%	0.488	S	S	.	.	H	α-helix	trans	-61.7	-33.8	176.4	176.2	-109.4	0	0	0	112.8	Q331 L333 K339	Q331-F335 WeakPolarHBondContact O-CB 3.49Å; Q331-F335 PolarHBondContact O-N 2.86Å; L333-F335 PolarHBondContact O-N 3.29Å; F335-K339 HydrophobicContact CE1-CD 4.04Å; F335-K339 HydrophobicContact CZ-CD 4.13Å; F335-K339 WeakPolarHBondContact O-CB 3.4Å; F335-K339 PolarHBondContact O-N 3.47Å
336	N	97.1	Very high	97.3	Very high	82 Å²	82	103 Å²	103	44%	0.439	49%	0.488	S	S	.	.	H	α-helix	trans	-74.5	-39.6	174.5	-173.5	67.3	0	0	0	112.2	Q332 L333 K334 K339 L340	Q332-N336 WeakPolarHBondContact O-CB 3.49Å; Q332-N336 PolarHBondContact O-N 2.72Å; L333-N336 CarbonylContact O-C 3.59Å; L333-N336 WeakPolarHBondContact O-CB 3.34Å; L333-N336 PolarHBondContact O-N 3.14Å; L333-N336 VanDerWaalsContact O-N 3.09Å; K334-N336 VanDerWaalsContact C-N 3.26Å; K334-N336 PolarHBondContact O-N 3.46Å; N336-K339 PolarHBondContact O-N 2.89Å; N336-L340 WeakPolarHBondContact O-CB 3.2Å; N336-L340 VanDerWaalsContact O-CG 3.29Å; N336-L340 WeakPolarHBondContact O-CG 3.34Å; N336-L340 PolarHBondContact O-N 3.23Å
337	E	97.9	Very high	97.2	Very high	93 Å²	93	103.8 Å²	103.8	44%	0.435	49%	0.489	S	S	.	.	H	α-helix	trans	-61.8	-46.2	172.5	-72.1	175.4	154.2	0	0	111.2	L333 K334 L340 H341	L333-E337 WeakPolarHBondContact O-CG 3.32Å; L333-E337 PolarHBondContact O-N 2.9Å; K334-E337 PolarHBondContact O-N 3.01Å; E337-L340 PolarHBondContact O-N 2.96Å; E337-H341 PolarHBondContact O-N 2.88Å; E337-H341 PolarHBondContact O-ND1 3.07Å
338	E	97.7	Very high	97.2	Very high	126 Å²	126	106.2 Å²	106.2	59%	0.589	50%	0.498	S	S	*	.	H	α-helix	trans	-57.3	-47.9	173.8	-74.2	166.3	-175.4	0	0	111.1	K334 L340 H341 E342	K334-E338 WeakPolarHBondContact O-CB 3.25Å; K334-E338 VanDerWaalsContact O-CG 3.26Å; K334-E338 WeakPolarHBondContact O-CG 3.48Å; K334-E338 PolarHBondContact O-N 3.27Å; E338-L340 PolarHBondContact O-N 3.3Å; E338-H341 PolarHBondContact O-N 3.47Å; E338-E342 WeakPolarHBondContact O-CB 3.26Å; E338-E342 PolarHBondContact O-N 3.13Å
339	K	97.1	Very high	97.2	Very high	125 Å²	125	106.9 Å²	106.9	54%	0.543	51%	0.507	S	S	.	.	H	α-helix	trans	-59.7	-40.8	173.9	-92.6	-173.7	168.8	-176.3	0	113.5	F335 N336 L343	F335-K339 HydrophobicContact CE1-CD 4.04Å; F335-K339 HydrophobicContact CZ-CD 4.13Å; F335-K339 WeakPolarHBondContact O-CB 3.4Å; F335-K339 PolarHBondContact O-N 3.47Å; N336-K339 PolarHBondContact O-N 2.89Å; K339-L343 VanDerWaalsContact O-CB 3.27Å; K339-L343 WeakPolarHBondContact O-CB 3.28Å; K339-L343 PolarHBondContact O-N 3.23Å
340	L	96.6	Very high	97.2	Very high	85 Å²	85	104.6 Å²	104.6	45%	0.445	50%	0.498	S	S	.	.	H	α-helix	trans	-71.2	-38.3	179.1	-73.7	171.6	0	0	0	111.5	N336 E337 E338 L343 I344	N336-L340 WeakPolarHBondContact O-CB 3.2Å; N336-L340 VanDerWaalsContact O-CG 3.29Å; N336-L340 WeakPolarHBondContact O-CG 3.34Å; N336-L340 PolarHBondContact O-N 3.23Å; E337-L340 PolarHBondContact O-N 2.96Å; E338-L340 PolarHBondContact O-N 3.3Å; L340-L343 PolarHBondContact O-N 3.42Å; L340-I344 WeakPolarHBondContact O-CB 3.11Å; L340-I344 WeakPolarHBondContact O-CD1 3.22Å; L340-I344 WeakPolarHBondContact O-CG1 3.43Å; L340-I344 PolarHBondContact O-N 2.86Å
341	H	97.3	Very high	97.2	Very high	122 Å²	122	104.1 Å²	104.1	57%	0.565	50%	0.502	S	S	*	.	H	α-helix	trans	-63.7	-44.9	172.8	-77.6	84.8	0	0	0	111.6	E337 E338 I344 N345	E337-H341 PolarHBondContact O-N 2.88Å; E337-H341 PolarHBondContact O-ND1 3.07Å; E338-H341 PolarHBondContact O-N 3.47Å; H341-I344 PolarHBondContact O-N 3.25Å; H341-N345 WeakPolarHBondContact O-CB 3.5Å; H341-N345 PolarHBondContact O-N 3.48Å; H341-N345 PolarHBondContact O-ND2 2.89Å
342	E	97	Very high	97.2	Very high	100 Å²	100	104.1 Å²	104.1	47%	0.467	50%	0.501	S	S	.	.	H	α-helix	trans	-60.3	-46.8	174.7	177.8	54.9	-157.3	0	0	111.4	E338 I344 N345 Q346	E338-E342 WeakPolarHBondContact O-CB 3.26Å; E338-E342 PolarHBondContact O-N 3.13Å; E342-I344 VanDerWaalsContact C-N 3.33Å; E342-I344 PolarHBondContact O-N 2.85Å; E342-N345 PolarHBondContact O-N 3.38Å; E342-N345 VanDerWaalsContact O-N 3.15Å; E342-Q346 WeakPolarHBondContact O-CG 3.27Å; E342-Q346 PolarHBondContact O-N 3.25Å; E342-Q346 PolarHBondContact OE1-NE2 2.7Å
343	L	97.6	Very high	97.2	Very high	81 Å²	81	103.6 Å²	103.6	42%	0.424	49%	0.494	S	S	.	.	H	α-helix	trans	-62.3	-38.5	176.6	-171.5	65.5	0	0	0	112.3	K339 L340 H347	K339-L343 VanDerWaalsContact O-CB 3.27Å; K339-L343 WeakPolarHBondContact O-CB 3.28Å; K339-L343 PolarHBondContact O-N 3.23Å; L340-L343 PolarHBondContact O-N 3.42Å; L343-H347 PolarHBondContact O-N 3.47Å; L343-H347 PolarHBondContact O-ND1 2.86Å
344	I	97.5	Very high	97.2	Very high	82 Å²	82	102.8 Å²	102.8	42%	0.421	49%	0.49	S	S	.	.	H	α-helix	trans	-66.7	-39.5	174.7	-73.8	164.1	0	0	0	110.9	L340 H341 E342 H347 R348	L340-I344 WeakPolarHBondContact O-CB 3.11Å; L340-I344 WeakPolarHBondContact O-CD1 3.22Å; L340-I344 WeakPolarHBondContact O-CG1 3.43Å; L340-I344 PolarHBondContact O-N 2.86Å; H341-I344 PolarHBondContact O-N 3.25Å; E342-I344 VanDerWaalsContact C-N 3.33Å; E342-I344 PolarHBondContact O-N 2.85Å; I344-H347 PolarHBondContact O-N 3.03Å; I344-R348 HydrophobicContact CG2-CG 4.46Å; I344-R348 WeakPolarHBondContact O-CB 3.36Å; I344-R348 VanDerWaalsContact O-CG 3.27Å; I344-R348 WeakPolarHBondContact O-CG 3.47Å; I344-R348 PolarHBondContact O-N 3.49Å
345	N	97	Very high	97.1	Very high	78 Å²	78	102 Å²	102	42%	0.417	49%	0.491	S	S	.	.	H	α-helix	trans	-66.9	-41.2	176.7	-69.3	-23	0	0	0	111.7	H341 E342 R348 S349	H341-N345 WeakPolarHBondContact O-CB 3.5Å; H341-N345 PolarHBondContact O-N 3.48Å; H341-N345 PolarHBondContact O-ND2 2.89Å; E342-N345 PolarHBondContact O-N 3.38Å; E342-N345 VanDerWaalsContact O-N 3.15Å; N345-R348 PolarHBondContact O-N 2.84Å; N345-S349 WeakPolarHBondContact O-CB 3.41Å; N345-S349 PolarHBondContact O-N 3.39Å
346	Q	97.2	Very high	97.1	Very high	103 Å²	103	103.3 Å²	103.3	48%	0.481	50%	0.499	S	S	.	.	H	α-helix	trans	-60.5	-46.8	173	-70.4	173.8	9.6	0	0	111.7	E342 R348 S349 E350	E342-Q346 WeakPolarHBondContact O-CG 3.27Å; E342-Q346 PolarHBondContact O-N 3.25Å; E342-Q346 PolarHBondContact OE1-NE2 2.7Å; Q346-R348 PolarHBondContact O-N 3.32Å; Q346-S349 PolarHBondContact O-N 2.91Å; Q346-E350 PolarHBondContact O-N 2.99Å
347	H	96.3	Very high	97.1	Very high	115 Å²	115	103.1 Å²	103.1	53%	0.532	50%	0.497	S	S	.	.	H	α-helix	trans	-65	-36.4	175.5	-76.4	89.6	0	0	0	112.8	L343 I344 V351	L343-H347 PolarHBondContact O-N 3.47Å; L343-H347 PolarHBondContact O-ND1 2.86Å; I344-H347 PolarHBondContact O-N 3.03Å; H347-V351 WeakPolarHBondContact O-CB 3.48Å; H347-V351 VanDerWaalsContact O-CG2 3.26Å; H347-V351 WeakPolarHBondContact O-CG2 3.28Å; H347-V351 PolarHBondContact O-N 2.97Å
348	R	97.3	Very high	97	Very high	164 Å²	164	104.1 Å²	104.1	62%	0.619	51%	0.505	S	S	*	.	H	α-helix	trans	-62.8	-47.3	173.9	-79	170.7	173.4	177.5	-3	111.4	I344 N345 Q346 E350 V351 E352	I344-R348 HydrophobicContact CG2-CG 4.46Å; I344-R348 WeakPolarHBondContact O-CB 3.36Å; I344-R348 VanDerWaalsContact O-CG 3.27Å; I344-R348 WeakPolarHBondContact O-CG 3.47Å; I344-R348 PolarHBondContact O-N 3.49Å; N345-R348 PolarHBondContact O-N 2.84Å; Q346-R348 PolarHBondContact O-N 3.32Å; R348-E350 PolarHBondContact O-N 2.98Å; R348-V351 PolarHBondContact O-N 3.27Å; R348-E352 WeakPolarHBondContact O-CB 3.48Å; R348-E352 PolarHBondContact O-N 3.39Å
349	S	96.9	Very high	97	Very high	74 Å²	74	102.2 Å²	102.2	52%	0.517	50%	0.502	S	S	.	.	H	α-helix	trans	-63.1	-40.4	177.9	-176.8	0	0	0	0	112.2	N345 Q346 E352 R353	N345-S349 WeakPolarHBondContact O-CB 3.41Å; N345-S349 PolarHBondContact O-N 3.39Å; Q346-S349 PolarHBondContact O-N 2.91Å; S349-E352 PolarHBondContact O-N 2.86Å; S349-R353 VanDerWaalsContact O-CB 3.29Å; S349-R353 WeakPolarHBondContact O-CB 3.45Å; S349-R353 PolarHBondContact O-N 2.97Å
350	E	97	Very high	97	Very high	84 Å²	84	100 Å²	100	39%	0.393	50%	0.496	S	S	.	.	H	α-helix	trans	-67.7	-38.8	175	176.7	59.9	-172	0	0	112.3	Q346 R348 R353 L354	Q346-E350 PolarHBondContact O-N 2.99Å; R348-E350 PolarHBondContact O-N 2.98Å; E350-R353 VanDerWaalsContact CD-NH2 3.28Å; E350-R353 IonicContact OE1-CZ 3.13Å; E350-R353 IonicContact OE1-NE 3.09Å; E350-R353 IonicContact OE1-NH2 2.96Å; E350-R353 PolarHBondContact OE1-NH2 2.98Å; E350-R353 IonicContact OE2-CZ 4Å; E350-R353 IonicContact OE2-NE 3.93Å; E350-R353 PolarHBondContact OE2-NE 3.02Å; E350-R353 IonicContact OE2-NH2 2.59Å; E350-R353 PolarHBondContact OE2-NH2 3.39Å; E350-R353 VanDerWaalsContact OE2-NH2 3.15Å; E350-L354 HydrophobicContact CG-CD1 4.1Å; E350-L354 WeakPolarHBondContact O-CB 3.5Å; E350-L354 WeakPolarHBondContact O-CG 3.45Å; E350-L354 PolarHBondContact O-N 3.39Å
351	V	97.1	Very high	96.9	Very high	83 Å²	83	100.4 Å²	100.4	50%	0.503	49%	0.494	S	S	.	.	H	α-helix	trans	-65.3	-41.7	173.1	166.8	0	0	0	0	111.4	H347 R348 L354 L355	H347-V351 WeakPolarHBondContact O-CB 3.48Å; H347-V351 VanDerWaalsContact O-CG2 3.26Å; H347-V351 WeakPolarHBondContact O-CG2 3.28Å; H347-V351 PolarHBondContact O-N 2.97Å; R348-V351 PolarHBondContact O-N 3.27Å; V351-L354 PolarHBondContact O-N 3.46Å; V351-L355 HydrophobicContact CG1-CD1 3.95Å; V351-L355 HydrophobicContact CG1-CG 4.39Å; V351-L355 WeakPolarHBondContact O-CB 3.26Å; V351-L355 VanDerWaalsContact O-CG 3.27Å; V351-L355 WeakPolarHBondContact O-CG 3.35Å; V351-L355 PolarHBondContact O-N 3.14Å
352	E	97.4	Very high	96.8	Very high	138 Å²	138	97.8 Å²	97.8	65%	0.645	49%	0.49	S	S	*	.	H	α-helix	trans	-62.6	-46.7	176.2	-172.9	164.5	-141.4	0	0	111.1	R348 S349 L354 L355 E356	R348-E352 WeakPolarHBondContact O-CB 3.48Å; R348-E352 PolarHBondContact O-N 3.39Å; S349-E352 PolarHBondContact O-N 2.86Å; E352-L354 VanDerWaalsContact C-N 3.33Å; E352-L354 PolarHBondContact O-N 2.85Å; E352-L355 PolarHBondContact O-N 2.87Å; E352-E356 PolarHBondContact O-N 2.82Å
353	R	97.1	Very high	96.8	Very high	111 Å²	111	96.2 Å²	96.2	42%	0.419	49%	0.487	S	S	.	.	H	α-helix	trans	-60.5	-37.6	173.6	-167.6	-161.6	66	68.2	-0.9	112.9	S349 E350 L357	S349-R353 VanDerWaalsContact O-CB 3.29Å; S349-R353 WeakPolarHBondContact O-CB 3.45Å; S349-R353 PolarHBondContact O-N 2.97Å; E350-R353 VanDerWaalsContact CD-NH2 3.28Å; E350-R353 IonicContact OE1-CZ 3.13Å; E350-R353 IonicContact OE1-NE 3.09Å; E350-R353 IonicContact OE1-NH2 2.96Å; E350-R353 PolarHBondContact OE1-NH2 2.98Å; E350-R353 IonicContact OE2-CZ 4Å; E350-R353 IonicContact OE2-NE 3.93Å; E350-R353 PolarHBondContact OE2-NE 3.02Å; E350-R353 IonicContact OE2-NH2 2.59Å; E350-R353 PolarHBondContact OE2-NH2 3.39Å; E350-R353 VanDerWaalsContact OE2-NH2 3.15Å; R353-L357 VanDerWaalsContact O-CB 3.3Å; R353-L357 WeakPolarHBondContact O-CB 3.45Å; R353-L357 PolarHBondContact O-N 2.91Å
354	L	97.1	Very high	96.7	Very high	82 Å²	82	97.1 Å²	97.1	43%	0.429	49%	0.489	S	S	.	.	H	α-helix	trans	-73.3	-33.7	175.9	-75.4	170.3	0	0	0	112.5	E350 V351 E352 L358	E350-L354 HydrophobicContact CG-CD1 4.1Å; E350-L354 WeakPolarHBondContact O-CB 3.5Å; E350-L354 WeakPolarHBondContact O-CG 3.45Å; E350-L354 PolarHBondContact O-N 3.39Å; V351-L354 PolarHBondContact O-N 3.46Å; E352-L354 VanDerWaalsContact C-N 3.33Å; E352-L354 PolarHBondContact O-N 2.85Å; L354-L358 VanDerWaalsContact O-CB 3.25Å; L354-L358 WeakPolarHBondContact O-CB 3.38Å; L354-L358 PolarHBondContact O-N 2.78Å
355	L	96.9	Very high	96.6	Very high	102 Å²	102	97.2 Å²	97.2	53%	0.534	50%	0.496	S	S	.	.	H	α-helix	trans	-69.1	-42.7	172.8	-74.2	169.9	0	0	0	111.2	V351 E352 L358 T359	V351-L355 HydrophobicContact CG1-CD1 3.95Å; V351-L355 HydrophobicContact CG1-CG 4.39Å; V351-L355 WeakPolarHBondContact O-CB 3.26Å; V351-L355 VanDerWaalsContact O-CG 3.27Å; V351-L355 WeakPolarHBondContact O-CG 3.35Å; V351-L355 PolarHBondContact O-N 3.14Å; E352-L355 PolarHBondContact O-N 2.87Å; L355-L358 WeakPolarHBondContact O-CB 3.23Å; L355-L358 PolarHBondContact O-N 3.12Å; L355-T359 PolarHBondContact O-N 3.1Å; L355-T359 PolarHBondContact O-OG1 2.83Å
356	E	96.7	Very high	96.4	Very high	140 Å²	140	97.6 Å²	97.6	65%	0.654	50%	0.501	S	S	*	.	H	α-helix	trans	-61.7	-47.6	175.1	-173.2	171.6	-134.7	0	0	111.1	E352 L358 T359 D360	E352-E356 PolarHBondContact O-N 2.82Å; E356-L358 VanDerWaalsContact C-N 3.3Å; E356-L358 PolarHBondContact O-N 2.99Å; E356-T359 WeakPolarHBondContact CA-OG1 3.29Å; E356-T359 PolarHBondContact O-N 2.96Å; E356-T359 VanDerWaalsContact O-N 3.09Å; E356-T359 PolarHBondContact O-OG1 3.31Å; E356-D360 PolarHBondContact O-N 2.77Å
357	L	97.1	Very high	96.3	Very high	78 Å²	78	98.8 Å²	98.8	41%	0.408	51%	0.507	S	S	.	.	H	α-helix	trans	-60.6	-36.6	173.7	178.9	61.1	0	0	0	112.8	R353 D360 K361	R353-L357 VanDerWaalsContact O-CB 3.3Å; R353-L357 WeakPolarHBondContact O-CB 3.45Å; R353-L357 PolarHBondContact O-N 2.91Å; L357-D360 PolarHBondContact O-N 3.22Å; L357-K361 HydrophobicContact CD1-CG 4.47Å; L357-K361 WeakPolarHBondContact O-CG 3.34Å; L357-K361 PolarHBondContact O-N 3.25Å
358	L	95.6	Very high	96.3	Very high	113 Å²	113	98.8 Å²	98.8	59%	0.592	51%	0.51	S	S	*	.	H	α-helix	trans	-67.2	-38.9	174	179	63.4	0	0	0	111.4	L354 L355 E356 S362	L354-L358 VanDerWaalsContact O-CB 3.25Å; L354-L358 WeakPolarHBondContact O-CB 3.38Å; L354-L358 PolarHBondContact O-N 2.78Å; L355-L358 WeakPolarHBondContact O-CB 3.23Å; L355-L358 PolarHBondContact O-N 3.12Å; E356-L358 VanDerWaalsContact C-N 3.3Å; E356-L358 PolarHBondContact O-N 2.99Å; L358-S362 VanDerWaalsContact O-CB 3.23Å; L358-S362 WeakPolarHBondContact O-CB 3.31Å; L358-S362 PolarHBondContact O-N 3.35Å
359	T	96.5	Very high	96.1	Very high	86 Å²	86	93.1 Å²	93.1	53%	0.528	50%	0.498	S	S	.	.	H	α-helix	trans	-66.1	-41.6	173.9	51.2	0	0	0	0	111.9	L355 E356 S362 T363	L355-T359 PolarHBondContact O-N 3.1Å; L355-T359 PolarHBondContact O-OG1 2.83Å; E356-T359 WeakPolarHBondContact CA-OG1 3.29Å; E356-T359 PolarHBondContact O-N 2.96Å; E356-T359 VanDerWaalsContact O-N 3.09Å; E356-T359 PolarHBondContact O-OG1 3.31Å; T359-S362 CarbonylContact O-C 3.51Å; T359-S362 WeakPolarHBondContact O-CA 3.43Å; T359-S362 WeakPolarHBondContact O-CB 3.43Å; T359-S362 PolarHBondContact O-N 3.4Å; T359-S362 VanDerWaalsContact O-N 3.14Å; T359-T363 PolarHBondContact O-N 3.42Å; T359-T363 PolarHBondContact O-OG1 2.9Å; T359-T363 VanDerWaalsContact O-OG1 3.06Å
360	D	97.1	Very high	95.9	Very high	80 Å²	80	91.3 Å²	91.3	43%	0.428	49%	0.492	S	S	.	.	H	α-helix	trans	-60.8	-48.9	175.3	175.2	63.5	0	0	0	112.3	E356 L357 S362 T363 E364	E356-D360 PolarHBondContact O-N 2.77Å; L357-D360 PolarHBondContact O-N 3.22Å; D360-S362 PolarHBondContact O-N 2.97Å; D360-T363 WeakPolarHBondContact CA-OG1 3.36Å; D360-T363 PolarHBondContact O-N 2.86Å; D360-T363 PolarHBondContact O-OG1 2.94Å; D360-E364 WeakPolarHBondContact O-CB 3.46Å; D360-E364 PolarHBondContact O-N 3.31Å
361	K	95.5	Very high	95.8	Very high	92 Å²	92	92 Å²	92	40%	0.4	50%	0.497	S	S	.	.	H	α-helix	trans	-64.3	-31	174.1	-68.3	-43.8	95.9	-152.9	0	112.1	L357 E364 C365	L357-K361 HydrophobicContact CD1-CG 4.47Å; L357-K361 WeakPolarHBondContact O-CG 3.34Å; L357-K361 PolarHBondContact O-N 3.25Å; K361-E364 WeakPolarHBondContact CD-OE2 3.41Å; K361-E364 IonicContact NZ-OE2 3.07Å; K361-E364 PolarHBondContact NZ-OE2 3.31Å; K361-C365 VanDerWaalsContact O-CB 3.23Å; K361-C365 WeakPolarHBondContact O-CB 3.28Å; K361-C365 PolarHBondContact O-N 2.88Å
362	S	95.9	Very high	95.7	Very high	67 Å²	67	93.2 Å²	93.2	47%	0.469	50%	0.495	S	S	.	.	H	α-helix	trans	-69.8	-43.2	174.8	-173.1	0	0	0	0	111.7	L358 T359 D360 C365 T366	L358-S362 VanDerWaalsContact O-CB 3.23Å; L358-S362 WeakPolarHBondContact O-CB 3.31Å; L358-S362 PolarHBondContact O-N 3.35Å; T359-S362 CarbonylContact O-C 3.51Å; T359-S362 WeakPolarHBondContact O-CA 3.43Å; T359-S362 WeakPolarHBondContact O-CB 3.43Å; T359-S362 PolarHBondContact O-N 3.4Å; T359-S362 VanDerWaalsContact O-N 3.14Å; D360-S362 PolarHBondContact O-N 2.97Å; S362-C365 PolarHBondContact O-N 3.3Å; S362-T366 WeakPolarHBondContact O-CG2 3.36Å; S362-T366 PolarHBondContact O-N 3.45Å; S362-T366 PolarHBondContact O-OG1 2.9Å
363	T	96.1	Very high	95.6	Very high	68 Å²	68	92.2 Å²	92.2	42%	0.417	49%	0.493	S	S	.	.	H	α-helix	trans	-64.5	-48.6	176.7	39.6	0	0	0	0	111	T359 D360 C365 T366 E367	T359-T363 PolarHBondContact O-N 3.42Å; T359-T363 PolarHBondContact O-OG1 2.9Å; T359-T363 VanDerWaalsContact O-OG1 3.06Å; D360-T363 WeakPolarHBondContact CA-OG1 3.36Å; D360-T363 PolarHBondContact O-N 2.86Å; D360-T363 PolarHBondContact O-OG1 2.94Å; T363-C365 VanDerWaalsContact C-N 3.27Å; T363-C365 PolarHBondContact O-N 2.88Å; T363-T366 WeakPolarHBondContact CA-OG1 3.35Å; T363-T366 CarbonylContact O-C 3.49Å; T363-T366 PolarHBondContact O-N 2.93Å; T363-T366 PolarHBondContact O-OG1 3.24Å; T363-E367 WeakPolarHBondContact O-CG 3.36Å; T363-E367 PolarHBondContact O-N 3.06Å
364	E	96	Very high	95.5	Very high	100 Å²	100	92.7 Å²	92.7	47%	0.467	50%	0.501	S	S	.	.	H	α-helix	trans	-54.1	-43	174.1	-178.4	-174.6	-168.8	0	0	111.6	D360 K361 E367 L368	D360-E364 WeakPolarHBondContact O-CB 3.46Å; D360-E364 PolarHBondContact O-N 3.31Å; K361-E364 WeakPolarHBondContact CD-OE2 3.41Å; K361-E364 IonicContact NZ-OE2 3.07Å; K361-E364 PolarHBondContact NZ-OE2 3.31Å; E364-E367 PolarHBondContact O-N 3.22Å; E364-L368 VanDerWaalsContact O-CB 3.29Å; E364-L368 WeakPolarHBondContact O-CB 3.39Å; E364-L368 PolarHBondContact O-N 3.26Å
365	C	94.2	Very high	95.3	Very high	83 Å²	83	93 Å²	93	56%	0.561	50%	0.502	S	S	*	.	H	α-helix	trans	-67.8	-36.7	177.7	-164	0	0	0	0	112.5	K361 S362 T363 A369	K361-C365 VanDerWaalsContact O-CB 3.23Å; K361-C365 WeakPolarHBondContact O-CB 3.28Å; K361-C365 PolarHBondContact O-N 2.88Å; S362-C365 PolarHBondContact O-N 3.3Å; T363-C365 VanDerWaalsContact C-N 3.27Å; T363-C365 PolarHBondContact O-N 2.88Å; C365-A369 VanDerWaalsContact O-CB 3.27Å; C365-A369 WeakPolarHBondContact O-CB 3.29Å; C365-A369 PolarHBondContact O-N 2.67Å
366	T	94.6	Very high	95.2	Very high	87 Å²	87	91.6 Å²	91.6	53%	0.534	50%	0.495	S	S	.	.	H	α-helix	trans	-71.3	-35.1	173.9	54.6	0	0	0	0	113.3	S362 T363 A369 G370	S362-T366 WeakPolarHBondContact O-CG2 3.36Å; S362-T366 PolarHBondContact O-N 3.45Å; S362-T366 PolarHBondContact O-OG1 2.9Å; T363-T366 WeakPolarHBondContact CA-OG1 3.35Å; T363-T366 CarbonylContact O-C 3.49Å; T363-T366 PolarHBondContact O-N 2.93Å; T363-T366 PolarHBondContact O-OG1 3.24Å; T366-A369 PolarHBondContact O-N 3.4Å; T366-G370 PolarHBondContact O-N 3.44Å
367	E	95	Very high	94.8	Very high	128 Å²	128	87.7 Å²	87.7	60%	0.598	49%	0.487	S	S	*	.	H	α-helix	trans	-66.7	-46.9	173.9	-72.2	177.3	174.8	0	0	110.7	T363 E364 A369 G370 I371	T363-E367 WeakPolarHBondContact O-CG 3.36Å; T363-E367 PolarHBondContact O-N 3.06Å; E364-E367 PolarHBondContact O-N 3.22Å; E367-A369 VanDerWaalsContact C-N 3.28Å; E367-A369 PolarHBondContact O-N 2.89Å; E367-G370 CarbonylContact O-C 3.57Å; E367-G370 WeakPolarHBondContact O-CA 3.35Å; E367-G370 PolarHBondContact O-N 3.19Å; E367-I371 WeakPolarHBondContact O-CG1 3.43Å; E367-I371 PolarHBondContact O-N 2.9Å
368	L	94.6	Very high	94.6	Very high	114 Å²	114	87 Å²	87	60%	0.597	48%	0.482	S	S	*	.	H	α-helix	trans	-61.2	-36.8	173.9	-176.6	62	0	0	0	111.9	E364 K372	E364-L368 VanDerWaalsContact O-CB 3.29Å; E364-L368 WeakPolarHBondContact O-CB 3.39Å; E364-L368 PolarHBondContact O-N 3.26Å; L368-K372 VanDerWaalsContact O-CB 3.26Å; L368-K372 WeakPolarHBondContact O-CB 3.4Å; L368-K372 PolarHBondContact O-N 2.93Å
369	A	93.5	Very high	94.2	Very high	45 Å²	45	85.9 Å²	85.9	37%	0.372	48%	0.475	S	S	.	.	H	α-helix	trans	-67.3	-36.8	172.2	0	0	0	0	0	112.3	C365 T366 E367 K372 I373	C365-A369 VanDerWaalsContact O-CB 3.27Å; C365-A369 WeakPolarHBondContact O-CB 3.29Å; C365-A369 PolarHBondContact O-N 2.67Å; T366-A369 PolarHBondContact O-N 3.4Å; E367-A369 VanDerWaalsContact C-N 3.28Å; E367-A369 PolarHBondContact O-N 2.89Å; A369-K372 PolarHBondContact O-N 2.91Å; A369-I373 VanDerWaalsContact O-CG1 3.27Å; A369-I373 WeakPolarHBondContact O-CG1 3.22Å; A369-I373 PolarHBondContact O-N 2.91Å
370	G	94.2	Very high	93.9	Very high	37 Å²	37	83.9 Å²	83.9	38%	0.381	47%	0.468	S	S	.	.	H	α-helix	trans	-62.9	-50.6	172.4	0	0	0	0	0	112.3	T366 E367 K372 I373 Q374	T366-G370 PolarHBondContact O-N 3.44Å; E367-G370 CarbonylContact O-C 3.57Å; E367-G370 WeakPolarHBondContact O-CA 3.35Å; E367-G370 PolarHBondContact O-N 3.19Å; G370-K372 VanDerWaalsContact C-N 3.27Å; G370-K372 PolarHBondContact O-N 2.72Å; G370-I373 PolarHBondContact O-N 3.39Å; G370-I373 VanDerWaalsContact O-N 3.12Å; G370-Q374 PolarHBondContact O-N 3.32Å
371	I	95	Very high	93.6	Very high	98 Å²	98	85.8 Å²	85.8	50%	0.503	48%	0.476	S	S	.	.	H	α-helix	trans	-56.1	-43.5	172.9	-66.4	165.3	0	0	0	110.1	E367 Q374 L375	E367-I371 WeakPolarHBondContact O-CG1 3.43Å; E367-I371 PolarHBondContact O-N 2.9Å; I371-Q374 PolarHBondContact O-N 2.92Å; I371-L375 HydrophobicContact CG2-CD1 3.91Å; I371-L375 HydrophobicContact CG2-CG 4.37Å; I371-L375 WeakPolarHBondContact O-CB 3.42Å; I371-L375 WeakPolarHBondContact O-CG 3.46Å; I371-L375 PolarHBondContact O-N 3.23Å
372	K	94.9	Very high	93.3	Very high	108 Å²	108	88.3 Å²	88.3	47%	0.47	48%	0.484	S	S	.	.	H	α-helix	trans	-63.1	-42	176.4	-168.4	-150.2	173.8	-55.3	0	112.5	L368 A369 G370 Q374 L375 D376	L368-K372 VanDerWaalsContact O-CB 3.26Å; L368-K372 WeakPolarHBondContact O-CB 3.4Å; L368-K372 PolarHBondContact O-N 2.93Å; A369-K372 PolarHBondContact O-N 2.91Å; G370-K372 VanDerWaalsContact C-N 3.27Å; G370-K372 PolarHBondContact O-N 2.72Å; K372-Q374 VanDerWaalsContact C-N 3.32Å; K372-L375 PolarHBondContact O-N 3.45Å; K372-D376 IonicContact NZ-OD1 3.96Å; K372-D376 PolarHBondContact NZ-OD1 3.45Å; K372-D376 IonicContact NZ-OD2 3.17Å; K372-D376 PolarHBondContact NZ-OD2 3.12Å; K372-D376 WeakPolarHBondContact O-CB 3.38Å; K372-D376 VanDerWaalsContact O-CG 3.31Å; K372-D376 PolarHBondContact O-N 3.01Å
373	I	93.8	Very high	92.9	Very high	117 Å²	117	91.9 Å²	91.9	60%	0.6	49%	0.487	S	S	*	.	H	α-helix	trans	-64.3	-40.1	176.5	-72.4	162.8	0	0	0	110.4	A369 G370 D376 A377	A369-I373 VanDerWaalsContact O-CG1 3.27Å; A369-I373 WeakPolarHBondContact O-CG1 3.22Å; A369-I373 PolarHBondContact O-N 2.91Å; G370-I373 PolarHBondContact O-N 3.39Å; G370-I373 VanDerWaalsContact O-N 3.12Å; I373-D376 PolarHBondContact O-N 3.3Å; I373-A377 WeakPolarHBondContact O-CB 3.1Å; I373-A377 PolarHBondContact O-N 3.46Å
374	Q	95.9	Very high	92.3	Very high	122 Å²	122	96 Å²	96	57%	0.57	50%	0.499	S	S	*	.	H	α-helix	trans	-65.3	-45.9	174.8	179.9	167.2	-25.1	0	0	111.7	G370 I371 K372 D376 A377 E378	G370-Q374 PolarHBondContact O-N 3.32Å; I371-Q374 PolarHBondContact O-N 2.92Å; K372-Q374 VanDerWaalsContact C-N 3.32Å; Q374-D376 PolarHBondContact O-N 3.46Å; Q374-A377 CarbonylContact O-C 3.57Å; Q374-A377 WeakPolarHBondContact O-CA 3.39Å; Q374-A377 WeakPolarHBondContact O-CB 3.26Å; Q374-A377 PolarHBondContact O-N 2.98Å; Q374-A377 VanDerWaalsContact O-N 3.09Å; Q374-E378 HydrophobicContact CG-CG 4.46Å; Q374-E378 VanDerWaalsContact CG-OE1 3.3Å; Q374-E378 WeakPolarHBondContact CG-OE1 3.41Å; Q374-E378 PolarHBondContact NE2-OE1 3.46Å; Q374-E378 WeakPolarHBondContact O-CG 3.23Å; Q374-E378 PolarHBondContact O-N 2.8Å
375	L	93	Very high	91.8	Very high	87 Å²	87	96.8 Å²	96.8	46%	0.455	51%	0.506	S	S	.	.	H	α-helix	trans	-62.9	-37.9	174.8	-71.3	171.5	0	0	0	112.5	I371 K372 A377 E378 L379	I371-L375 HydrophobicContact CG2-CD1 3.91Å; I371-L375 HydrophobicContact CG2-CG 4.37Å; I371-L375 WeakPolarHBondContact O-CB 3.42Å; I371-L375 WeakPolarHBondContact O-CG 3.46Å; I371-L375 PolarHBondContact O-N 3.23Å; K372-L375 PolarHBondContact O-N 3.45Å; L375-A377 VanDerWaalsContact C-N 3.29Å; L375-A377 PolarHBondContact O-N 2.78Å; L375-E378 PolarHBondContact O-N 2.96Å; L375-L379 VanDerWaalsContact O-CB 3.25Å; L375-L379 WeakPolarHBondContact O-CB 3.42Å; L375-L379 WeakPolarHBondContact O-CD1 3.25Å; L375-L379 WeakPolarHBondContact O-CG 3.36Å; L375-L379 PolarHBondContact O-N 3.44Å
376	D	93.4	Very high	91.3	Very high	73 Å²	73	97.9 Å²	97.9	39%	0.39	51%	0.506	S	S	.	.	H	α-helix	trans	-62.4	-37.5	172.4	-77.2	-24.2	0	0	0	111.1	K372 I373 Q374 A380	K372-D376 IonicContact NZ-OD1 3.96Å; K372-D376 PolarHBondContact NZ-OD1 3.45Å; K372-D376 IonicContact NZ-OD2 3.17Å; K372-D376 PolarHBondContact NZ-OD2 3.12Å; K372-D376 WeakPolarHBondContact O-CB 3.38Å; K372-D376 VanDerWaalsContact O-CG 3.31Å; K372-D376 PolarHBondContact O-N 3.01Å; I373-D376 PolarHBondContact O-N 3.3Å; Q374-D376 PolarHBondContact O-N 3.46Å; D376-A380 VanDerWaalsContact O-CB 3.3Å; D376-A380 WeakPolarHBondContact O-CB 3.47Å; D376-A380 PolarHBondContact O-N 3.29Å
377	A	89	Confident	90.6	Very high	58 Å²	58	98.6 Å²	98.6	48%	0.479	50%	0.503	S	S	.	.	H	α-helix	trans	-73.3	-39.7	177.6	0	0	0	0	0	112.5	I373 Q374 L375 A380 M381	I373-A377 WeakPolarHBondContact O-CB 3.1Å; I373-A377 PolarHBondContact O-N 3.46Å; Q374-A377 CarbonylContact O-C 3.57Å; Q374-A377 WeakPolarHBondContact O-CA 3.39Å; Q374-A377 WeakPolarHBondContact O-CB 3.26Å; Q374-A377 PolarHBondContact O-N 2.98Å; Q374-A377 VanDerWaalsContact O-N 3.09Å; L375-A377 VanDerWaalsContact C-N 3.29Å; L375-A377 PolarHBondContact O-N 2.78Å; A377-A380 PolarHBondContact O-N 2.81Å; A377-M381 PolarHBondContact O-N 2.74Å
378	E	93.6	Very high	89.7	Confident	65 Å²	65	94.3 Å²	94.3	30%	0.304	49%	0.493	S	S	.	.	H	α-helix	trans	-63.5	-45.6	171.5	-72.3	170.7	-164.6	0	0	110.5	Q374 L375 A380 M381 Y382	Q374-E378 HydrophobicContact CG-CG 4.46Å; Q374-E378 VanDerWaalsContact CG-OE1 3.3Å; Q374-E378 WeakPolarHBondContact CG-OE1 3.41Å; Q374-E378 PolarHBondContact NE2-OE1 3.46Å; Q374-E378 WeakPolarHBondContact O-CG 3.23Å; Q374-E378 PolarHBondContact O-N 2.8Å; L375-E378 PolarHBondContact O-N 2.96Å; E378-A380 VanDerWaalsContact C-N 3.31Å; E378-A380 PolarHBondContact O-N 2.9Å; E378-M381 CarbonylContact O-C 3.57Å; E378-M381 WeakPolarHBondContact O-CA 3.44Å; E378-M381 WeakPolarHBondContact O-CB 3.39Å; E378-M381 PolarHBondContact O-N 2.9Å; E378-M381 VanDerWaalsContact O-N 3.08Å; E378-Y382 HydrophobicContact CB-CE2 4.43Å; E378-Y382 WeakPolarHBondContact O-CD2 3.41Å; E378-Y382 PolarHBondContact O-N 2.82Å
379	L	87.4	Confident	88.8	Confident	88 Å²	88	92.7 Å²	92.7	46%	0.461	48%	0.482	S	S	.	.	H	α-helix	trans	-61.5	-35.6	172.5	-74.1	167.5	0	0	0	112.6	L375 R383	L375-L379 VanDerWaalsContact O-CB 3.25Å; L375-L379 WeakPolarHBondContact O-CB 3.42Å; L375-L379 WeakPolarHBondContact O-CD1 3.25Å; L375-L379 WeakPolarHBondContact O-CG 3.36Å; L375-L379 PolarHBondContact O-N 3.44Å; L379-R383 WeakPolarHBondContact O-CB 3.41Å; L379-R383 VanDerWaalsContact O-CG 3.27Å; L379-R383 WeakPolarHBondContact O-CG 3.41Å; L379-R383 PolarHBondContact O-N 2.81Å
380	A	90	Very high	87.8	Confident	45 Å²	45	95.4 Å²	95.4	37%	0.372	49%	0.487	S	S	.	.	H	α-helix	trans	-70.6	-32.5	172.9	0	0	0	0	0	112.5	D376 A377 E378 K384	D376-A380 VanDerWaalsContact O-CB 3.3Å; D376-A380 WeakPolarHBondContact O-CB 3.47Å; D376-A380 PolarHBondContact O-N 3.29Å; A377-A380 PolarHBondContact O-N 2.81Å; E378-A380 VanDerWaalsContact C-N 3.31Å; E378-A380 PolarHBondContact O-N 2.9Å; A380-K384 PolarHBondContact O-N 3.34Å
381	M	89.3	Confident	86.3	Confident	120 Å²	120	97.5 Å²	97.5	59%	0.591	50%	0.496	S	S	*	.	H	α-helix	trans	-67.4	-48.2	172	-164.6	-153.5	-49.4	0	0	110.8	A377 E378 R383 K384 L385	A377-M381 PolarHBondContact O-N 2.74Å; E378-M381 CarbonylContact O-C 3.57Å; E378-M381 WeakPolarHBondContact O-CA 3.44Å; E378-M381 WeakPolarHBondContact O-CB 3.39Å; E378-M381 PolarHBondContact O-N 2.9Å; E378-M381 VanDerWaalsContact O-N 3.08Å; M381-R383 VanDerWaalsContact C-N 3.33Å; M381-R383 PolarHBondContact O-N 3.17Å; M381-K384 PolarHBondContact O-N 3.17Å; M381-L385 WeakPolarHBondContact O-CB 3.42Å; M381-L385 PolarHBondContact O-N 3.02Å
382	Y	90.3	Very high	85.2	Confident	144 Å²	144	100.3 Å²	100.3	57%	0.565	50%	0.501	S	S	*	.	H	α-helix	trans	-60.5	-40.3	176	-73.6	-59.6	0	0	0	112.1	E378 L385 L386	E378-Y382 HydrophobicContact CB-CE2 4.43Å; E378-Y382 WeakPolarHBondContact O-CD2 3.41Å; E378-Y382 PolarHBondContact O-N 2.82Å; Y382-L385 PolarHBondContact O-N 3.4Å; Y382-L386 WeakPolarHBondContact O-CB 3.42Å; Y382-L386 VanDerWaalsContact O-CG 3.3Å; Y382-L386 WeakPolarHBondContact O-CG 3.32Å; Y382-L386 PolarHBondContact O-N 2.92Å
383	R	87.2	Confident	83.6	Confident	143 Å²	143	100 Å²	100	54%	0.54	50%	0.503	S	S	.	.	H	α-helix	trans	-57.6	-52.4	171.2	-79.1	175.4	-176.1	124.6	1.9	111.6	L379 M381 L385 L386 E387	L379-R383 WeakPolarHBondContact O-CB 3.41Å; L379-R383 VanDerWaalsContact O-CG 3.27Å; L379-R383 WeakPolarHBondContact O-CG 3.41Å; L379-R383 PolarHBondContact O-N 2.81Å; M381-R383 VanDerWaalsContact C-N 3.33Å; M381-R383 PolarHBondContact O-N 3.17Å; R383-L385 VanDerWaalsContact C-N 3.27Å; R383-L385 PolarHBondContact O-N 3.27Å; R383-L386 PolarHBondContact O-N 3.46Å; R383-L386 VanDerWaalsContact O-N 3.14Å; R383-E387 WeakPolarHBondContact O-CB 3.43Å; R383-E387 WeakPolarHBondContact O-CG 3.47Å; R383-E387 PolarHBondContact O-N 2.84Å
384	K	84	Confident	81.8	Confident	154 Å²	154	102.8 Å²	102.8	67%	0.67	51%	0.513	S	S	*	.	H	α-helix	trans	-60.1	-34.3	176.2	-77.9	-174.2	173.3	-173.7	0	113.8	A380 M381 G388	A380-K384 PolarHBondContact O-N 3.34Å; M381-K384 PolarHBondContact O-N 3.17Å; K384-G388 PolarHBondContact O-N 2.87Å
385	L	85.4	Confident	79.6	Confident	116 Å²	116	102.2 Å²	102.2	61%	0.607	51%	0.514	S	S	*	.	H	α-helix	trans	-65.4	-47.2	175.8	-143	80.9	0	0	0	110.2	M381 Y382 R383 G388 E389	M381-L385 WeakPolarHBondContact O-CB 3.42Å; M381-L385 PolarHBondContact O-N 3.02Å; Y382-L385 PolarHBondContact O-N 3.4Å; R383-L385 VanDerWaalsContact C-N 3.27Å; R383-L385 PolarHBondContact O-N 3.27Å; L385-G388 PolarHBondContact O-N 3.43Å; L385-E389 WeakPolarHBondContact O-CB 3.26Å; L385-E389 PolarHBondContact O-N 2.93Å
386	L	82.7	Confident	77.2	Confident	107 Å²	107	102.7 Å²	102.7	56%	0.56	52%	0.524	S	S	*	.	H	α-helix	trans	-65.3	-45.4	176.8	-70	166.2	0	0	0	112.3	Y382 R383 G388 E389 E390	Y382-L386 WeakPolarHBondContact O-CB 3.42Å; Y382-L386 VanDerWaalsContact O-CG 3.3Å; Y382-L386 WeakPolarHBondContact O-CG 3.32Å; Y382-L386 PolarHBondContact O-N 2.92Å; R383-L386 PolarHBondContact O-N 3.46Å; R383-L386 VanDerWaalsContact O-N 3.14Å; L386-G388 VanDerWaalsContact C-N 3.27Å; L386-G388 PolarHBondContact O-N 3.3Å; L386-E389 WeakPolarHBondContact O-CB 3.35Å; L386-E389 PolarHBondContact O-N 2.86Å; L386-E390 WeakPolarHBondContact O-CB 3.45Å; L386-E390 WeakPolarHBondContact O-CG 3.42Å; L386-E390 PolarHBondContact O-N 3.45Å
387	E	79.9	Confident	74.9	Confident	101 Å²	101	104.3 Å²	104.3	47%	0.472	54%	0.539	S	S	.	.	H	α-helix	trans	-56.9	-39.9	174.9	-71.3	158.1	-162.7	0	0	111.5	R383 S391	R383-E387 WeakPolarHBondContact O-CB 3.43Å; R383-E387 WeakPolarHBondContact O-CG 3.47Å; R383-E387 PolarHBondContact O-N 2.84Å; E387-S391 VanDerWaalsContact O-CB 3.29Å; E387-S391 WeakPolarHBondContact O-CB 3.22Å; E387-S391 PolarHBondContact O-N 3.26Å; E387-S391 VanDerWaalsContact O-N 3.08Å; E387-S391 PolarHBondContact O-OG 3.45Å
388	G	76.4	Confident	72.6	Confident	38 Å²	38	108.2 Å²	108.2	39%	0.392	56%	0.557	S	S	.	*	H	α-helix	trans	-70	-35	173	0	0	0	0	0	113.9	K384 L385 L386 R392	K384-G388 PolarHBondContact O-N 2.87Å; L385-G388 PolarHBondContact O-N 3.43Å; L386-G388 VanDerWaalsContact C-N 3.27Å; L386-G388 PolarHBondContact O-N 3.3Å; G388-R392 PolarHBondContact O-N 2.85Å
389	E	76.7	Confident	70.2	Confident	80 Å²	80	112.8 Å²	112.8	37%	0.374	58%	0.578	S	S	.	*	H	α-helix	trans	-71.5	-45.9	178.6	-148.2	72.2	176.8	0	0	111.6	L385 L386 S391 R392 L393	L385-E389 WeakPolarHBondContact O-CB 3.26Å; L385-E389 PolarHBondContact O-N 2.93Å; L386-E389 WeakPolarHBondContact O-CB 3.35Å; L386-E389 PolarHBondContact O-N 2.86Å; E389-S391 VanDerWaalsContact C-N 3.33Å; E389-S391 PolarHBondContact O-N 2.97Å; E389-R392 PolarHBondContact O-N 3.32Å; E389-R392 IonicContact OE1-CZ 3.42Å; E389-R392 IonicContact OE1-NH1 3.31Å; E389-R392 PolarHBondContact OE1-NH1 2.92Å; E389-R392 IonicContact OE1-NH2 2.68Å; E389-R392 PolarHBondContact OE1-NH2 2.85Å; E389-R392 IonicContact OE2-CZ 3.45Å; E389-R392 IonicContact OE2-NH1 2.66Å; E389-R392 PolarHBondContact OE2-NH1 3.49Å; E389-R392 IonicContact OE2-NH2 3.51Å; E389-L393 WeakPolarHBondContact O-CG 3.4Å; E389-L393 PolarHBondContact O-N 3.32Å
390	E	71.1	Confident	68.1	Low	103 Å²	103	117.5 Å²	117.5	48%	0.481	60%	0.595	S	S	.	*	H	α-helix	trans	-56.7	-45.9	171.3	-74.2	177.6	169.7	0	0	110.9	L386 R392 L393 H394 L395	L386-E390 WeakPolarHBondContact O-CB 3.45Å; L386-E390 WeakPolarHBondContact O-CG 3.42Å; L386-E390 PolarHBondContact O-N 3.45Å; E390-R392 PolarHBondContact O-N 3.46Å; E390-L393 PolarHBondContact O-N 2.85Å; E390-H394 PolarHBondContact O-N 2.88Å; E390-L395 WeakPolarHBondContact CB-O 3.09Å; E390-L395 CarbonylContact O-C 3.49Å; E390-L395 PolarHBondContact O-N 3.35Å; E390-L395 VanDerWaalsContact O-N 3.16Å
391	S	63.2	Low	65.6	Low	81 Å²	81	121.1 Å²	121.1	57%	0.566	61%	0.607	S	S	*	*	H	α-helix	trans	-59.5	-42.7	174.5	-63.1	0	0	0	0	112.6	E387 E389	E387-S391 VanDerWaalsContact O-CB 3.29Å; E387-S391 WeakPolarHBondContact O-CB 3.22Å; E387-S391 PolarHBondContact O-N 3.26Å; E387-S391 VanDerWaalsContact O-N 3.08Å; E387-S391 PolarHBondContact O-OG 3.45Å; E389-S391 VanDerWaalsContact C-N 3.33Å; E389-S391 PolarHBondContact O-N 2.97Å
392	R	71.7	Confident	63.4	Low	157 Å²	157	122.9 Å²	122.9	59%	0.592	62%	0.618	S	S	*	*	H	α-helix	trans	-70.8	-32.9	-179.7	-167.6	-178.4	71.4	-115.8	-2.8	112.9	G388 E389 E390 H394	G388-R392 PolarHBondContact O-N 2.85Å; E389-R392 PolarHBondContact O-N 3.32Å; E389-R392 IonicContact OE1-CZ 3.42Å; E389-R392 IonicContact OE1-NH1 3.31Å; E389-R392 PolarHBondContact OE1-NH1 2.92Å; E389-R392 IonicContact OE1-NH2 2.68Å; E389-R392 PolarHBondContact OE1-NH2 2.85Å; E389-R392 IonicContact OE2-CZ 3.45Å; E389-R392 IonicContact OE2-NH1 2.66Å; E389-R392 PolarHBondContact OE2-NH1 3.49Å; E389-R392 IonicContact OE2-NH2 3.51Å; E390-R392 PolarHBondContact O-N 3.46Å; R392-H394 PolarHBondContact O-N 2.68Å
393	L	62.6	Low	61	Low	101 Å²	101	124.9 Å²	124.9	53%	0.529	63%	0.63	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.6	0.4	-178.6	-69	171.2	0	0	0	113.6	E389 E390 L395	E389-L393 WeakPolarHBondContact O-CG 3.4Å; E389-L393 PolarHBondContact O-N 3.32Å; E390-L393 PolarHBondContact O-N 2.85Å; L393-L395 HydrophobicContact CB-CB 4.2Å; L393-L395 HydrophobicContact CB-CD1 3.98Å; L393-L395 HydrophobicContact CB-CG 3.88Å; L393-L395 HydrophobicContact CD1-CD1 4.12Å; L393-L395 PolarHBondContact O-N 2.86Å
394	H	56	Low	58.5	Low	175 Å²	175	121.2 Å²	121.2	81%	0.81	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	53.4	16.9	-165.3	-67.6	-77.2	0	0	0	113.6	E390 R392 S396	E390-H394 PolarHBondContact O-N 2.88Å; R392-H394 PolarHBondContact O-N 2.68Å; H394-S396 PolarHBondContact O-N 2.78Å
395	L	49.6	Very low	56.4	Low	111 Å²	111	122.8 Å²	122.8	58%	0.581	64%	0.643	S	S	*	*			trans	-84	67.8	169.5	-65.1	178	0	0	0	107.9	E390 L393 P397	E390-L395 WeakPolarHBondContact CB-O 3.09Å; E390-L395 CarbonylContact O-C 3.49Å; E390-L395 PolarHBondContact O-N 3.35Å; E390-L395 VanDerWaalsContact O-N 3.16Å; L393-L395 HydrophobicContact CB-CB 4.2Å; L393-L395 HydrophobicContact CB-CD1 3.98Å; L393-L395 HydrophobicContact CB-CG 3.88Å; L393-L395 HydrophobicContact CD1-CD1 4.12Å; L393-L395 PolarHBondContact O-N 2.86Å; L395-P397 WeakPolarHBondContact O-CD 3.28Å
396	S	41.7	Very low	54.3	Low	96 Å²	96	122.9 Å²	122.9	67%	0.671	65%	0.65	S	S	*	*			trans	-108.9	88.1	168.4	-171.7	0	0	0	0	108.2	H394 T398	H394-S396 PolarHBondContact O-N 2.78Å; S396-T398 PolarHBondContact O-N 2.85Å
397	P	45.5	Very low	52.7	Low	107 Å²	107	125.5 Å²	125.5	70%	0.695	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-65.7	125.1	177.3	-15.4	30.6	0	0	0	108.8	L395 E399	L395-P397 WeakPolarHBondContact O-CD 3.28Å; P397-E399 PolarHBondContact O-N 3.46Å; P397-E399 VanDerWaalsContact O-N 3.11Å
398	T	41.3	Very low	50.8	Low	140 Å²	140	126.2 Å²	126.2	86%	0.859	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-49.9	120.9	-179.8	-48.1	0	0	0	0	110.6	S396 K400	S396-T398 PolarHBondContact O-N 2.85Å; T398-K400 PolarHBondContact O-N 2.86Å; T398-K400 VanDerWaalsContact O-N 3.13Å
399	E	42.1	Very low	49	Very low	161 Å²	161	134.7 Å²	134.7	75%	0.752	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-54.3	118.5	-162.9	-67.6	-171.4	158.1	0	0	112.9	P397 I401	P397-E399 PolarHBondContact O-N 3.46Å; P397-E399 VanDerWaalsContact O-N 3.11Å; E399-I401 VanDerWaalsContact C-N 3.29Å; E399-I401 HydrophobicContact CB-CG1 4.08Å; E399-I401 PolarHBondContact O-N 3.32Å
400	K	42.5	Very low	47.3	Very low	188 Å²	188	135.2 Å²	135.2	82%	0.817	70%	0.703	S	S	*	*			trans	-72.6	92.2	160	-73	-179.5	-180	173.8	0	107.4	T398 L402	T398-K400 PolarHBondContact O-N 2.86Å; T398-K400 VanDerWaalsContact O-N 3.13Å; K400-L402 PolarHBondContact O-N 3.29Å
401	I	39.3	Very low	45.9	Very low	120 Å²	120	138.4 Å²	138.4	62%	0.615	72%	0.723	S	S	*	*			trans	-67.2	68.2	176.2	-58.9	167.7	0	0	0	109.8	E399 K403	E399-I401 VanDerWaalsContact C-N 3.29Å; E399-I401 HydrophobicContact CB-CG1 4.08Å; E399-I401 PolarHBondContact O-N 3.32Å; I401-K403 VanDerWaalsContact C-N 3.33Å; I401-K403 HydrophobicContact CG2-CD 4.41Å; I401-K403 HydrophobicContact CG2-CG 3.95Å; I401-K403 PolarHBondContact O-N 3.15Å
402	L	42.6	Very low	45.2	Very low	157 Å²	157	140.8 Å²	140.8	82%	0.822	73%	0.728	S	S	*	*			trans	-75.7	89.7	167.5	-69	-178.8	0	0	0	107.4	K400 G404	K400-L402 PolarHBondContact O-N 3.29Å; L402-G404 PolarHBondContact O-N 2.87Å
403	K	38.9	Very low	43.9	Very low	187 Å²	187	138.3 Å²	138.3	81%	0.813	73%	0.731	S	S	*	*			trans	-68.5	65.2	166.4	-70.8	-178.3	179.7	-179.4	0	110.3	I401 K405	I401-K403 VanDerWaalsContact C-N 3.33Å; I401-K403 HydrophobicContact CG2-CD 4.41Å; I401-K403 HydrophobicContact CG2-CG 3.95Å; I401-K403 PolarHBondContact O-N 3.15Å; K403-K405 PolarHBondContact O-N 3.28Å; K403-K405 VanDerWaalsContact O-N 3.1Å
404	G	34.8	Very low	42.9	Very low	65 Å²	65	139 Å²	139	67%	0.67	74%	0.741	S	S	*	*			trans	-57.9	111.1	163.3	0	0	0	0	0	107.8	L402	L402-G404 PolarHBondContact O-N 2.87Å
405	K	39.7	Very low	42.3	Very low	187 Å²	187	135.1 Å²	135.1	81%	0.813	73%	0.73	S	S	*	*			trans	-60.3	132.4	178.9	-65.6	176	-179.8	176.2	0	108.2	K403 I407	K403-K405 PolarHBondContact O-N 3.28Å; K403-K405 VanDerWaalsContact O-N 3.1Å; K405-I407 PolarHBondContact O-N 3.14Å
406	P	42	Very low	41.7	Very low	119 Å²	119	138.8 Å²	138.8	77%	0.773	74%	0.741	S	S	*	*			trans	-65.2	108.7	-178.7	25.9	-33.6	0	0	0	110
407	I	49.8	Very low	41.6	Very low	162 Å²	162	143.6 Å²	143.6	83%	0.831	75%	0.745	S	S	*	*	S	Bend	trans	-67	131.1	156.4	-54.5	178.6	0	0	0	105.5	K405	K405-I407 PolarHBondContact O-N 3.14Å
408	V	38.7	Very low	41.1	Very low	115 Å²	115	143.2 Å²	143.2	70%	0.697	74%	0.741	S	S	*	*			trans	66.1	104.3	-170.9	-153.5	0	0	0	0	113.5
409	R	39.1	Very low	41	Very low	217 Å²	217	147.4 Å²	147.4	82%	0.819	74%	0.743	S	S	*	*				-166.7	129.4	99.6	-98.5	179	-173.6	-177.2	1.6	113.8
410	T	41.5	Very low	40.9	Very low	91 Å²	91	143.6 Å²	143.6	56%	0.558	73%	0.733	S	S	*	*			trans	49.1	77.5	144.1	62.8	0	0	0	0	119	I412	T410-I412 HydrophobicContact CG2-CD1 3.72Å; T410-I412 HydrophobicContact CG2-CG1 3.98Å; T410-I412 PolarHBondContact O-N 2.97Å
411	N	41.3	Very low	40.5	Very low	169 Å²	169	141.5 Å²	141.5	90%	0.904	73%	0.731	S	S	*	*				-82.6	59.8	129.8	-84.6	-1.2	0	0	0	109.1	T413	N411-T413 PolarHBondContact O-N 2.96Å; N411-T413 VanDerWaalsContact O-N 3.16Å
412	I	49.1	Very low	40.2	Very low	131 Å²	131	144 Å²	144	67%	0.672	74%	0.742	S	S	*	*			trans	-76	93.3	154.7	-62.6	174.6	0	0	0	103.5	T410	T410-I412 HydrophobicContact CG2-CD1 3.72Å; T410-I412 HydrophobicContact CG2-CG1 3.98Å; T410-I412 PolarHBondContact O-N 2.97Å
413	T	43.9	Very low	40	Very low	105 Å²	105	141.4 Å²	141.4	64%	0.644	74%	0.737	S	S	*	*			trans	-51.4	128	172.3	-55.6	0	0	0	0	107.4	N411 T415	N411-T413 PolarHBondContact O-N 2.96Å; N411-T413 VanDerWaalsContact O-N 3.16Å; T413-T415 PolarHBondContact O-N 2.9Å
414	P	42.5	Very low	39.7	Very low	115 Å²	115	138.6 Å²	138.6	75%	0.747	74%	0.735	S	S	*	*			trans	-69.2	85.6	-179.7	27.7	-34.2	0	0	0	109.1	K416	P414-K416 PolarHBondContact O-N 3.36Å
415	T	42	Very low	39.7	Very low	95 Å²	95	139.5 Å²	139.5	58%	0.583	73%	0.731	S	S	*	*			trans	-66.3	80.3	163.9	48.4	0	0	0	0	107.4	T413 R417	T413-T415 PolarHBondContact O-N 2.9Å; T415-R417 PolarHBondContact O-N 3.33Å
416	K	37.7	Very low	39.4	Very low	187 Å²	187	135.8 Å²	135.8	81%	0.813	73%	0.729	S	S	*	*			trans	-67.6	67.7	163.3	-167.4	180	-177.9	-177.8	0	107.7	P414 T418	P414-K416 PolarHBondContact O-N 3.36Å; K416-T418 PolarHBondContact O-N 3.21Å
417	R	39.2	Very low	39.1	Very low	197 Å²	197	137.5 Å²	137.5	74%	0.743	73%	0.731	S	S	*	*			trans	-66.1	83.7	164.8	-72	175.8	-176.2	170.7	1.1	105.8	T415 Y419	T415-R417 PolarHBondContact O-N 3.33Å; R417-Y419 PolarHBondContact O-N 2.96Å; R417-Y419 VanDerWaalsContact O-N 3.08Å
418	T	34	Very low	38.3	Very low	100 Å²	100	135.8 Å²	135.8	61%	0.613	73%	0.728	S	S	*	*			trans	-54.6	114.7	161.1	-58.2	0	0	0	0	106	K416 S420	K416-T418 PolarHBondContact O-N 3.21Å; T418-S420 VanDerWaalsContact C-N 3.34Å; T418-S420 PolarHBondContact O-N 3.38Å
419	Y	39.6	Very low	38	Very low	228 Å²	228	134.7 Å²	134.7	89%	0.894	73%	0.725	S	S	*	*			trans	-70.9	94.4	175.1	-95.2	-108.9	0	0	0	108.2	R417	R417-Y419 PolarHBondContact O-N 2.96Å; R417-Y419 VanDerWaalsContact O-N 3.08Å
420	S	40.3	Very low	37.8	Very low	80 Å²	80	133.8 Å²	133.8	56%	0.559	73%	0.727	S	S	*	*			trans	-145	137.6	165.9	52.7	0	0	0	0	108.3	T418	T418-S420 VanDerWaalsContact C-N 3.34Å; T418-S420 PolarHBondContact O-N 3.38Å
421	D	34.4	Very low	37.3	Very low	145 Å²	145	136.7 Å²	136.7	78%	0.775	73%	0.734	S	S	*	*			trans	64.7	66	166.7	-48.1	-26.8	0	0	0	115.8
422	M	34.1	Very low	36.9	Very low	171 Å²	171	137 Å²	137	84%	0.842	73%	0.731	S	S	*	*			trans	-37.5	134.5	141.1	-80.3	142.9	45.8	0	0	112
423	C	37.1	Very low	36	Very low	104 Å²	104	134.5 Å²	134.5	70%	0.703	73%	0.725	S	S	*	*			trans	57.4	56.4	148.8	-55	0	0	0	0	118	S425	C423-S425 PolarHBondContact O-N 2.81Å
424	T	32.6	Very low	35.3	Very low	127 Å²	127	138.2 Å²	138.2	78%	0.779	73%	0.732	S	S	*	*			trans	-79.6	30.3	141.1	58.2	0	0	0	0	111.8	S426	T424-S426 PolarHBondContact O-N 2.98Å
425	S	34.7	Very low	34.7	Very low	84 Å²	84	140.2 Å²	140.2	59%	0.587	73%	0.732	S	S	*	*			trans	-68	85.5	162.5	54	0	0	0	0	108	C423 L427	C423-S425 PolarHBondContact O-N 2.81Å; S425-L427 PolarHBondContact O-N 2.82Å
426	S	33.5	Very low	34.2	Very low	109 Å²	109	140.4 Å²	140.4	76%	0.762	74%	0.736	S	S	*	*			trans	-57.9	91.2	164.9	-59.9	0	0	0	0	108.1	T424 T428	T424-S426 PolarHBondContact O-N 2.98Å; S426-T428 VanDerWaalsContact C-N 3.29Å; S426-T428 PolarHBondContact O-N 2.84Å
427	L	35.5	Very low	34	Very low	156 Å²	156	141.5 Å²	141.5	82%	0.817	74%	0.737	S	S	*	*			trans	-55.1	105.3	156.9	-81.4	168.8	0	0	0	105.3	S425 S429	S425-L427 PolarHBondContact O-N 2.82Å; L427-S429 PolarHBondContact O-N 3.11Å; L427-S429 PolarHBondContact O-OG 2.94Å
428	T	33	Very low	33.4	Very low	126 Å²	126	138.1 Å²	138.1	77%	0.773	73%	0.733	S	S	*	*			trans	-70.1	73.3	160.7	55.4	0	0	0	0	106.8	S426 K430	S426-T428 VanDerWaalsContact C-N 3.29Å; S426-T428 PolarHBondContact O-N 2.84Å; T428-K430 PolarHBondContact O-N 3.33Å
429	S	32	Very low	33.6	Very low	91 Å²	91	140.7 Å²	140.7	64%	0.636	74%	0.738	S	S	*	*			trans	-53.7	91.7	148.9	38.7	0	0	0	0	106.1	L427 Q431	L427-S429 PolarHBondContact O-N 3.11Å; L427-S429 PolarHBondContact O-OG 2.94Å; S429-Q431 PolarHBondContact O-N 3.32Å
430	K	36.4	Very low	33.1	Very low	198 Å²	198	136.6 Å²	136.6	86%	0.861	73%	0.731	S	S	*	*			trans	-57.7	90.3	148	-79.1	-173	174	-176.9	0	104.4	T428 Q432	T428-K430 PolarHBondContact O-N 3.33Å; K430-Q432 PolarHBondContact O-N 3.24Å
431	Q	30.2	Very low	33	Very low	152 Å²	152	136.3 Å²	136.3	71%	0.71	73%	0.726	S	S	*	*			trans	-64.3	108	-170	-174.3	165.2	-13.9	0	0	106.7	S429 S433	S429-Q431 PolarHBondContact O-N 3.32Å; Q431-S433 PolarHBondContact O-N 2.84Å
432	Q	32.4	Very low	33	Very low	177 Å²	177	136.5 Å²	136.5	83%	0.827	73%	0.727	S	S	*	*			trans	-69.8	68.3	158.1	-71.7	179.7	-86.9	0	0	107.2	K430 F434	K430-Q432 PolarHBondContact O-N 3.24Å; Q432-F434 PolarHBondContact O-N 2.92Å
433	S	30	Very low	33.1	Very low	78 Å²	78	134 Å²	134	55%	0.545	72%	0.716	S	S	.	*			trans	-68.7	72	151.2	52	0	0	0	0	106.3	Q431 E435	Q431-S433 PolarHBondContact O-N 2.84Å; S433-E435 PolarHBondContact O-N 2.77Å
434	F	29.7	Very low	33.1	Very low	183 Å²	183	137.5 Å²	137.5	80%	0.803	73%	0.728	S	S	*	*			trans	-79.3	53.3	162.7	-134.1	-80.3	0	0	0	107.4	Q432	Q432-F434 PolarHBondContact O-N 2.92Å
435	E	30.4	Very low	33.2	Very low	157 Å²	157	138.1 Å²	138.1	73%	0.734	72%	0.722	S	S	*	*			trans	-124.2	106.6	-170.8	-160.8	79.2	-104.2	0	0	106.4	S433	S433-E435 PolarHBondContact O-N 2.77Å
436	S	32.3	Very low	33.3	Very low	98 Å²	98	140.5 Å²	140.5	69%	0.685	73%	0.733	S	S	*	*			trans	45.5	103	-177.9	59.2	0	0	0	0	116.2	L438	S436-L438 PolarHBondContact O-N 2.94Å
437	Y	33.3	Very low	33.2	Very low	211 Å²	211	138.9 Å²	138.9	83%	0.827	73%	0.734	S	S	*	*			trans	-61.3	98.7	138.7	-86.8	-98.2	0	0	0	106.4	H439	Y437-H439 PolarHBondContact O-N 3.41Å; Y437-H439 VanDerWaalsContact O-N 3.13Å
438	L	26.9	Very low	33.1	Very low	126 Å²	126	136.1 Å²	136.1	66%	0.66	73%	0.734	S	S	*	*			trans	-64.9	114.4	167.2	-163.9	156.9	0	0	0	105.9	S436 D440	S436-L438 PolarHBondContact O-N 2.94Å; L438-D440 VanDerWaalsContact CD2-OD1 3.25Å; L438-D440 WeakPolarHBondContact CD2-OD1 3.42Å; L438-D440 PolarHBondContact O-N 2.85Å
439	H	37.7	Very low	33.2	Very low	154 Å²	154	138.7 Å²	138.7	71%	0.713	74%	0.742	S	S	*	*			trans	-85.3	68	-165.8	-147.8	51.1	0	0	0	109.5	Y437 V441	Y437-H439 PolarHBondContact O-N 3.41Å; Y437-H439 VanDerWaalsContact O-N 3.13Å; H439-V441 HydrophobicContact CB-CG2 4.47Å; H439-V441 PolarHBondContact O-N 3.37Å
440	D	28.6	Very low	33.3	Very low	141 Å²	141	138 Å²	138	75%	0.754	74%	0.742	S	S	*	*			trans	-67	75.7	168	-76.9	-28.2	0	0	0	108.9	L438	L438-D440 VanDerWaalsContact CD2-OD1 3.25Å; L438-D440 WeakPolarHBondContact CD2-OD1 3.42Å; L438-D440 PolarHBondContact O-N 2.85Å
441	V	38.1	Very low	33.1	Very low	75 Å²	75	135.7 Å²	135.7	46%	0.455	74%	0.738	S	S	.	*			trans	-104.5	87.8	179.9	168.5	0	0	0	0	107.6	H439 L443	H439-V441 HydrophobicContact CB-CG2 4.47Å; H439-V441 PolarHBondContact O-N 3.37Å; V441-L443 VanDerWaalsContact C-N 3.31Å; V441-L443 HydrophobicContact CG1-CB 3.94Å; V441-L443 HydrophobicContact CG1-CD1 3.87Å; V441-L443 HydrophobicContact CG1-CG 4.4Å; V441-L443 PolarHBondContact O-N 2.84Å
442	D	35.3	Very low	33.1	Very low	149 Å²	149	136.1 Å²	136.1	80%	0.797	74%	0.743	S	S	*	*			trans	-59.2	88.7	168.1	-83	-43.7	0	0	0	109.9	H445	D442-H445 PolarHBondContact O-CE1 2.9Å
443	L	36.5	Very low	33.1	Very low	117 Å²	117	134 Å²	134	61%	0.613	73%	0.733	S	S	*	*			trans	-141.3	12.3	179.8	-110.3	165	0	0	0	115.5	V441 H445	V441-L443 VanDerWaalsContact C-N 3.31Å; V441-L443 HydrophobicContact CG1-CB 3.94Å; V441-L443 HydrophobicContact CG1-CD1 3.87Å; V441-L443 HydrophobicContact CG1-CG 4.4Å; V441-L443 PolarHBondContact O-N 2.84Å; L443-H445 VanDerWaalsContact C-N 3.26Å; L443-H445 PolarHBondContact O-N 3.5Å
444	D	35.8	Very low	33	Very low	178 Å²	178	135.6 Å²	135.6	95%	0.952	74%	0.743	S	S	*	*			trans	-87.7	57.9	165.4	-89.2	-28	0	0	0	111.9
445	H	36	Very low	33.5	Very low	140 Å²	140	135.2 Å²	135.2	65%	0.648	74%	0.738	S	S	*	*			trans	-124.8	47.3	172.8	50.4	-101.5	0	0	0	113.1	D442 L443	D442-H445 PolarHBondContact O-CE1 2.9Å; L443-H445 VanDerWaalsContact C-N 3.26Å; L443-H445 PolarHBondContact O-N 3.5Å
446	T	35.9	Very low	33.6	Very low	134 Å²	134	133.4 Å²	133.4	82%	0.822	74%	0.74	S	S	*	*	S	Bend	trans	-133.9	116.1	168.1	-47.4	0	0	0	0	112.7
447	G	31.7	Very low	33.4	Very low	75 Å²	75	136.7 Å²	136.7	77%	0.773	75%	0.749	S	S	*	*	S	Bend	trans	91.9	12.7	143.6	0	0	0	0	0	121
448	A	33	Very low	33.4	Very low	99 Å²	99	132.8 Å²	132.8	82%	0.818	75%	0.747	S	S	*	*			trans	-95	4.6	177.4	0	0	0	0	0	115.8	A450	A448-A450 PolarHBondContact O-N 3.3Å
449	N	34.5	Very low	33.8	Very low	179 Å²	179	133.7 Å²	133.7	96%	0.957	76%	0.758	S	S	*	*			trans	-78.2	62.8	171.6	-98.6	-17.6	0	0	0	111.3
450	A	34	Very low	33.5	Very low	76 Å²	76	134.8 Å²	134.8	63%	0.628	76%	0.763	S	S	*	*			trans	-129.4	68.2	-175.8	0	0	0	0	0	111.8	A448	A448-A450 PolarHBondContact O-N 3.3Å
451	I	33.3	Very low	33.6	Very low	151 Å²	151	139.3 Å²	139.3	77%	0.774	77%	0.77	S	S	*	*			trans	47.8	89.7	154.9	-48.1	174.8	0	0	0	114.7	Q453	I451-Q453 VanDerWaalsContact C-N 3.28Å; I451-Q453 HydrophobicContact CG2-CB 4.21Å; I451-Q453 PolarHBondContact O-N 2.8Å
452	I	29.8	Very low	33.4	Very low	161 Å²	161	143.7 Å²	143.7	83%	0.826	78%	0.783	S	S	*	*			trans	-65.9	93.3	157.8	-60.4	176.7	0	0	0	107.4	C454	I452-C454 PolarHBondContact O-N 3.33Å
453	Q	31.7	Very low	33	Very low	132 Å²	132	143.9 Å²	143.9	62%	0.617	78%	0.782	S	S	*	*			trans	-78.3	87	179.1	-165	175.1	18.2	0	0	109.5	I451 Y455	I451-Q453 VanDerWaalsContact C-N 3.28Å; I451-Q453 HydrophobicContact CG2-CB 4.21Å; I451-Q453 PolarHBondContact O-N 2.8Å; Q453-Y455 HydrophobicContact CB-CE2 4.33Å; Q453-Y455 HydrophobicContact CG-CE2 3.88Å; Q453-Y455 PolarHBondContact NE2-OH 2.89Å; Q453-Y455 VanDerWaalsContact O-CD2 3.29Å; Q453-Y455 WeakPolarHBondContact O-CD2 3.44Å; Q453-Y455 PolarHBondContact O-N 3.25Å; Q453-Y455 VanDerWaalsContact O-N 3.08Å; Q453-Y455 PolarHBondContact OE1-OH 3.48Å
454	C	29.7	Very low	32.8	Very low	112 Å²	112	145.9 Å²	145.9	76%	0.757	79%	0.786	S	S	*	*			trans	-58.5	109.7	177.9	-62.2	0	0	0	0	111.4	I452	I452-C454 PolarHBondContact O-N 3.33Å
455	Y	38.3	Very low	32.5	Very low	174 Å²	174	144.5 Å²	144.5	68%	0.682	77%	0.774	S	S	*	*			trans	-89.9	145.3	164.5	-75.4	-84.5	0	0	0	110.4	Q453	Q453-Y455 HydrophobicContact CB-CE2 4.33Å; Q453-Y455 HydrophobicContact CG-CE2 3.88Å; Q453-Y455 PolarHBondContact NE2-OH 2.89Å; Q453-Y455 VanDerWaalsContact O-CD2 3.29Å; Q453-Y455 WeakPolarHBondContact O-CD2 3.44Å; Q453-Y455 PolarHBondContact O-N 3.25Å; Q453-Y455 VanDerWaalsContact O-N 3.08Å; Q453-Y455 PolarHBondContact OE1-OH 3.48Å
456	P	34.3	Very low	32.4	Very low	120 Å²	120	145.2 Å²	145.2	78%	0.779	78%	0.781	S	S	*	*			trans	-79	130.1	-159.6	-16.9	33	0	0	0	114.2	T458	P456-T458 PolarHBondContact O-N 3.44Å
457	L	26.6	Very low	32.2	Very low	167 Å²	167	144.5 Å²	144.5	87%	0.874	78%	0.779	S	S	*	*			trans	-76.5	107.2	155.2	-73.3	165.6	0	0	0	108.8
458	T	33.4	Very low	32.4	Very low	129 Å²	129	147.5 Å²	147.5	79%	0.791	78%	0.777	S	S	*	*			trans	172.4	115.8	142	41.1	0	0	0	0	111.7	P456	P456-T458 PolarHBondContact O-N 3.44Å
459	T	35.3	Very low	32.3	Very low	144 Å²	144	148.6 Å²	148.6	88%	0.883	78%	0.776	S	S	*	*			trans	-155.3	136.5	143.2	-66.6	0	0	0	0	106.9
460	E	32.6	Very low	32.3	Very low	177 Å²	177	146.7 Å²	146.7	83%	0.827	77%	0.765	S	S	*	*			trans	-80.8	122.9	-160.3	-57.8	-179.2	150.9	0	0	113.1	K462	E460-K462 VanDerWaalsContact C-N 3.32Å; E460-K462 PolarHBondContact O-N 2.81Å
461	R	31	Very low	32	Very low	237 Å²	237	147.9 Å²	147.9	89%	0.894	77%	0.769	S	S	*	*			trans	-77.5	83.4	164.2	-78.8	-176.6	172.4	161.9	-1.9	109.6	I463	R461-I463 PolarHBondContact O-N 2.88Å
462	K	33.6	Very low	32	Very low	167 Å²	167	149.3 Å²	149.3	73%	0.726	77%	0.77	S	S	*	*			trans	-75.3	92.7	175	-157	169	-166.9	171.1	0	110.2	E460 F464	E460-K462 VanDerWaalsContact C-N 3.32Å; E460-K462 PolarHBondContact O-N 2.81Å; K462-F464 HydrophobicContact CG-CD2 4.44Å
463	I	25.4	Very low	31.9	Very low	153 Å²	153	148.9 Å²	148.9	79%	0.785	77%	0.767	S	S	*	*			trans	-67.7	129.5	175.7	-61.1	166.6	0	0	0	108.6	R461	R461-I463 PolarHBondContact O-N 2.88Å
464	F	32.8	Very low	31.8	Very low	158 Å²	158	150.1 Å²	150.1	69%	0.693	78%	0.777	S	S	*	*			trans	-132.8	112.3	166.2	-106.3	-78.7	0	0	0	110.7	K462	K462-F464 HydrophobicContact CG-CD2 4.44Å
465	E	30.2	Very low	31.7	Very low	149 Å²	149	151.3 Å²	151.3	70%	0.696	78%	0.776	S	S	*	*			trans	23.4	107.3	146.3	-64.3	168.5	144.7	0	0	119.7
466	I	32.7	Very low	31.3	Very low	156 Å²	156	150.3 Å²	150.3	80%	0.8	78%	0.78	S	S	*	*				49.8	126.8	115	-60.2	169.4	0	0	0	117.9
467	P	31.4	Very low	30.9	Very low	118 Å²	118	150.7 Å²	150.7	77%	0.766	78%	0.776	S	S	*	*			trans	-87	147.2	-172.4	35.5	-36.4	0	0	0	114.6
468	D	35.9	Very low	30.9	Very low	139 Å²	139	151.8 Å²	151.8	74%	0.743	77%	0.774	S	S	*	*			trans	-113.8	104.1	174.6	-146.3	-20.6	0	0	0	110.3	N470	D468-N470 VanDerWaalsContact C-N 3.33Å; D468-N470 PolarHBondContact O-N 2.92Å; D468-N470 PolarHBondContact OD1-ND2 2.98Å
469	P	32.8	Very low	30.6	Very low	122 Å²	122	151.7 Å²	151.7	79%	0.792	77%	0.769	S	S	*	*			trans	-87.6	61.9	-171.5	35.8	-36.2	0	0	0	112.3
470	N	33.5	Very low	30.3	Very low	138 Å²	138	149.9 Å²	149.9	74%	0.738	76%	0.762	S	S	*	*			trans	-99.2	114.5	-178.2	-100.6	-63.5	0	0	0	113.7	D468	D468-N470 VanDerWaalsContact C-N 3.33Å; D468-N470 PolarHBondContact O-N 2.92Å; D468-N470 PolarHBondContact OD1-ND2 2.98Å
471	S	28.4	Very low	30	Very low	101 Å²	101	152.5 Å²	152.5	71%	0.706	76%	0.764	S	S	*	*			trans	-63.4	136.1	-178.9	58.1	0	0	0	0	114.3
472	K	33.1	Very low	29.9	Very low	182 Å²	182	146.9 Å²	146.9	79%	0.791	76%	0.761	S	S	*	*				-171.6	119.2	129.8	-104	153.6	-173.4	171.7	0	113.7	I474	K472-I474 PolarHBondContact O-N 3.37Å
473	I	26.7	Very low	29.6	Very low	151 Å²	151	144.2 Å²	144.2	77%	0.774	76%	0.764	S	S	*	*			trans	35.9	87	135.8	-44	173.7	0	0	0	115.4
474	I	29.6	Very low	29.6	Very low	159 Å²	159	140.4 Å²	140.4	82%	0.815	76%	0.762	S	S	*	*			trans	-96.5	127.7	150.4	-64.8	176.5	0	0	0	106.3	K472 I476	K472-I474 PolarHBondContact O-N 3.37Å; I474-I476 PolarHBondContact O-N 3.46Å
475	N	27.5	Very low	29.3	Very low	137 Å²	137	140.9 Å²	140.9	73%	0.733	77%	0.771	S	S	*	*			trans	-62.4	121	177.4	-72.5	-18.4	0	0	0	109.5	D477	N475-D477 VanDerWaalsContact C-N 3.34Å; N475-D477 PolarHBondContact O-N 3.35Å
476	I	30.3	Very low	29	Very low	152 Å²	152	139 Å²	139	78%	0.779	77%	0.774	S	S	*	*			trans	-75.6	94.8	166.8	-59.5	175	0	0	0	106.2	I474 F478	I474-I476 PolarHBondContact O-N 3.46Å; I476-F478 PolarHBondContact O-N 3.32Å; I476-F478 VanDerWaalsContact O-N 3.08Å
477	D	26.1	Very low	28.7	Very low	128 Å²	128	137.5 Å²	137.5	68%	0.684	77%	0.772	S	S	*	*			trans	-56.2	116.1	171.6	-102.7	-18.9	0	0	0	108.9	N475 N479	N475-D477 VanDerWaalsContact C-N 3.34Å; N475-D477 PolarHBondContact O-N 3.35Å; D477-N479 PolarHBondContact O-N 3.14Å
478	F	26.8	Very low	28.4	Very low	191 Å²	191	136.5 Å²	136.5	84%	0.838	77%	0.768	S	S	*	*			trans	-72.3	63.3	167.6	-97.6	-95	0	0	0	109.7	I476 S480	I476-F478 PolarHBondContact O-N 3.32Å; I476-F478 VanDerWaalsContact O-N 3.08Å; F478-S480 PolarHBondContact O-N 2.87Å
479	N	27.5	Very low	27.9	Very low	127 Å²	127	135.2 Å²	135.2	68%	0.679	77%	0.767	S	S	*	*			trans	-66.6	80.7	159.4	-88.4	-67.9	0	0	0	107.6	D477 R481	D477-N479 PolarHBondContact O-N 3.14Å; N479-R481 PolarHBondContact O-N 2.94Å
480	S	27.9	Very low	27.7	Very low	106 Å²	106	134.6 Å²	134.6	74%	0.741	77%	0.766	S	S	*	*			trans	-64	73.4	169.2	47.4	0	0	0	0	109.5	F478 S482	F478-S480 PolarHBondContact O-N 2.87Å; S480-S482 PolarHBondContact O-N 2.81Å
481	R	26.9	Very low	27.5	Very low	232 Å²	232	132.3 Å²	132.3	88%	0.875	76%	0.761	S	S	*	*			trans	-48.3	120.2	163.5	-75.2	-174.8	169.2	-155.4	-3.2	106.5	N479 S483	N479-R481 PolarHBondContact O-N 2.94Å; R481-S483 PolarHBondContact O-N 2.88Å
482	S	28	Very low	27.5	Very low	119 Å²	119	133 Å²	133	83%	0.832	77%	0.766	S	S	*	*			trans	-64.2	82.3	178.8	53.2	0	0	0	0	109.6	S480 G484	S480-S482 PolarHBondContact O-N 2.81Å; S482-G484 PolarHBondContact O-N 3.29Å
483	S	27.9	Very low	27.4	Very low	111 Å²	111	129.5 Å²	129.5	78%	0.776	76%	0.764	S	S	*	*			trans	-56	126.1	172.9	51.7	0	0	0	0	107.9	R481 L485	R481-S483 PolarHBondContact O-N 2.88Å; S483-L485 PolarHBondContact O-N 3.47Å
484	G	25.8	Very low	27.8	Very low	72 Å²	72	128.2 Å²	128.2	74%	0.742	76%	0.758	S	S	*	*			trans	-30.3	112.3	-161.1	0	0	0	0	0	114.4	S482 S486	S482-G484 PolarHBondContact O-N 3.29Å; G484-S486 PolarHBondContact O-N 3.47Å
485	L	26.6	Very low	28.2	Very low	169 Å²	169	128.1 Å²	128.1	89%	0.885	76%	0.758	S	S	*	*			trans	-56	111.9	164.9	-172.6	74.1	0	0	0	106	S483 T487	S483-L485 PolarHBondContact O-N 3.47Å; L485-T487 PolarHBondContact O-N 2.97Å
486	S	24	Very low	28.9	Very low	108 Å²	108	125 Å²	125	76%	0.755	76%	0.757	S	S	*	*			trans	-61.3	103.3	-172.9	-174.2	0	0	0	0	108.8	G484 S488	G484-S486 PolarHBondContact O-N 3.47Å; S486-S488 VanDerWaalsContact C-N 3.34Å; S486-S488 PolarHBondContact O-N 2.78Å
487	T	25	Very low	30	Very low	125 Å²	125	120.7 Å²	120.7	77%	0.767	74%	0.736	S	S	*	*			trans	-62.5	102.6	166.3	46	0	0	0	0	106.2	L485	L485-T487 PolarHBondContact O-N 2.97Å
488	S	25.4	Very low	32	Very low	97 Å²	97	117.3 Å²	117.3	68%	0.678	72%	0.722	S	S	*	*			trans	-47.2	128.1	167.5	36.7	0	0	0	0	107.6	S486 S490	S486-S488 VanDerWaalsContact C-N 3.34Å; S486-S488 PolarHBondContact O-N 2.78Å; S488-S490 PolarHBondContact O-N 3.39Å; S488-S490 VanDerWaalsContact O-N 3.09Å
489	P	26.6	Very low	34.2	Very low	113 Å²	113	110.3 Å²	110.3	73%	0.734	69%	0.694	S	S	*	*			trans	-61.8	122	-166.9	23.3	-33.5	0	0	0	109.3	S491	P489-S491 VanDerWaalsContact C-N 3.27Å; P489-S491 PolarHBondContact O-N 2.81Å
490	S	27.2	Very low	36.8	Very low	109 Å²	109	109.6 Å²	109.6	76%	0.762	68%	0.681	S	S	*	*			trans	-63.5	90.3	172.5	-53.7	0	0	0	0	108.6	S488 S492	S488-S490 PolarHBondContact O-N 3.39Å; S488-S490 VanDerWaalsContact O-N 3.09Å; S490-S492 PolarHBondContact O-N 3.16Å
491	S	29.9	Very low	39.5	Very low	89 Å²	89	105.6 Å²	105.6	62%	0.622	65%	0.651	S	S	*	*			trans	-75.3	38	-174.9	46.6	0	0	0	0	113.1	P489 S493	P489-S491 VanDerWaalsContact C-N 3.27Å; P489-S491 PolarHBondContact O-N 2.81Å; S491-S493 PolarHBondContact O-N 2.87Å
492	S	29.1	Very low	42.4	Very low	116 Å²	116	95.5 Å²	95.5	81%	0.811	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	52.3	172.6	62.9	0	0	0	0	111.6	S490	S490-S492 PolarHBondContact O-N 3.16Å
493	S	31.6	Very low	45.4	Very low	109 Å²	109	90.9 Å²	90.9	76%	0.762	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.4	0.8	171.5	69.6	0	0	0	0	112.9	S491 I495	S491-S493 PolarHBondContact O-N 2.87Å; S493-I495 PolarHBondContact O-N 3.31Å
494	L	34.6	Very low	48.3	Very low	123 Å²	123	91.4 Å²	91.4	64%	0.644	57%	0.568	S	S	*	*	S	Bend	trans	-74.2	122.7	163.5	-71.1	173.5	0	0	0	108.6	G496	L494-G496 PolarHBondContact O-N 2.8Å
495	I	37.4	Very low	51.5	Low	158 Å²	158	90.1 Å²	90.1	81%	0.81	55%	0.551	S	S	*	*			trans	-51.2	131.4	167.5	-68.5	153.1	0	0	0	107.4	S493 D497	S493-I495 PolarHBondContact O-N 3.31Å; I495-D497 PolarHBondContact O-N 3.42Å
496	G	42.4	Very low	54.5	Low	70 Å²	70	86.4 Å²	86.4	72%	0.722	53%	0.531	S	S	*	.			trans	-52.4	94.2	-159.9	0	0	0	0	0	115.8	L494 S498	L494-G496 PolarHBondContact O-N 2.8Å; G496-S498 PolarHBondContact O-N 3.45Å; G496-S498 VanDerWaalsContact O-N 3.07Å
497	D	52.9	Low	57.6	Low	62 Å²	62	83.5 Å²	83.5	33%	0.332	52%	0.519	S	S	.	.			trans	-73.1	92	172	-76.5	-27.1	0	0	0	109.1	I495 L499 Y630	I495-D497 PolarHBondContact O-N 3.42Å; D497-L499 PolarHBondContact O-N 3.2Å; D497-L499 VanDerWaalsContact O-N 3.15Å; D497-Y630 VanDerWaalsContact CG-CE1 3.49Å; D497-Y630 WeakPolarHBondContact OD1-CD1 3.47Å; D497-Y630 WeakPolarHBondContact OD1-CE1 3.41Å; D497-Y630 WeakPolarHBondContact OD2-CE1 3.18Å
498	S	67.8	Low	60.6	Low	57 Å²	57	80 Å²	80	40%	0.399	50%	0.498	S	S	.	.			trans	-64	113.2	177.6	-54.7	0	0	0	0	110.7	G496 R500 C629	G496-S498 PolarHBondContact O-N 3.45Å; G496-S498 VanDerWaalsContact O-N 3.07Å; S498-R500 PolarHBondContact O-N 2.86Å; S498-C629 VanDerWaalsContact O-CB 3.31Å; S498-C629 WeakPolarHBondContact O-CB 2.98Å; S498-C629 PolarHBondContact O-N 3.27Å
499	L	73.5	Confident	63.8	Low	45 Å²	45	75.5 Å²	75.5	24%	0.236	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	116.5	173.3	-168.9	78.2	0	0	0	110	D497 I501 P516 P606 M626	D497-L499 PolarHBondContact O-N 3.2Å; D497-L499 VanDerWaalsContact O-N 3.15Å; L499-I501 HydrophobicContact CD2-CD1 4.24Å; L499-I501 HydrophobicContact CD2-CG1 4.14Å; L499-I501 HydrophobicContact CG-CG1 4.41Å; L499-P516 HydrophobicContact CD2-CG 3.75Å; L499-P606 HydrophobicContact CD1-CB 4.34Å; L499-M626 HydrophobicContact CD1-CB 4.47Å
500	R	82.5	Confident	66.9	Low	111 Å²	111	72.4 Å²	72.4	42%	0.419	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	131	169.6	173	-173.6	-57.8	-110.3	-6	109.2	S498 M626 E627 C629	S498-R500 PolarHBondContact O-N 2.86Å; R500-M626 CarbonylContact O-C 3.56Å; R500-M626 WeakPolarHBondContact O-CA 3.32Å; R500-E627 HydrophobicContact CB-CB 4.47Å; R500-E627 PolarHBondContact N-O 2.93Å; R500-E627 PolarHBondContact O-N 2.62Å; R500-C629 VanDerWaalsContact CB-SG 3.59Å; R500-C629 PolarHBondContact NE-SG 2.78Å; R500-C629 VanDerWaalsContact NE-SG 3.44Å
501	I	85.5	Confident	70.1	Confident	22 Å²	22	67.4 Å²	67.4	11%	0.113	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	125.1	172.8	-54.8	-177.8	0	0	0	108.3	L499 A514 P516 C624 E625 M626	L499-I501 HydrophobicContact CD2-CD1 4.24Å; L499-I501 HydrophobicContact CD2-CG1 4.14Å; L499-I501 HydrophobicContact CG-CG1 4.41Å; I501-A514 WeakPolarHBondContact CD1-O 3.45Å; I501-A514 HydrophobicContact CG2-CB 4.25Å; I501-P516 HydrophobicContact CD1-CG 3.69Å; I501-C624 VanDerWaalsContact CG2-SG 3.53Å; I501-E625 CarbonylContact C-O 3.57Å; I501-E625 WeakPolarHBondContact CA-O 3.38Å; I501-M626 HydrophobicContact CG1-CG 4.46Å
502	T	86.9	Confident	72.9	Confident	21 Å²	21	65.3 Å²	65.3	13%	0.129	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	105.1	-177.5	-52.2	0	0	0	0	109.4	R504 E625	T502-R504 HydrophobicContact CG2-CG 4.37Å; T502-E625 WeakPolarHBondContact CG2-OE2 3.41Å; T502-E625 PolarHBondContact N-O 3.37Å; T502-E625 PolarHBondContact O-N 3.25Å
503	C	90.6	Very high	75.7	Confident	22 Å²	22	61.1 Å²	61.1	15%	0.149	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	134.6	174	-68.2	0	0	0	0	110.6	F511 T623	C503-F511 HydrophobicContact CB-CB 4.37Å; C503-T623 CarbonylContact C-O 3.58Å; C503-T623 WeakPolarHBondContact CA-O 3.36Å
504	R	90.2	Very high	78.3	Confident	121 Å²	121	56.1 Å²	56.1	46%	0.457	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	152.5	174	-48.3	-173	-171.5	-169	12.5	109.9	T502 A622 T623 E625	T502-R504 HydrophobicContact CG2-CG 4.37Å; R504-A622 CarbonylContact O-C 3.6Å; R504-A622 VanDerWaalsContact O-CA 3.3Å; R504-A622 WeakPolarHBondContact O-CA 2.93Å; R504-T623 PolarHBondContact N-O 3.34Å; R504-T623 PolarHBondContact O-N 2.83Å; R504-E625 IonicContact CZ-OE1 3.15Å; R504-E625 IonicContact CZ-OE2 2.63Å; R504-E625 IonicContact NE-OE1 2.72Å; R504-E625 PolarHBondContact NE-OE1 2.98Å; R504-E625 IonicContact NE-OE2 3Å; R504-E625 PolarHBondContact NE-OE2 3.48Å; R504-E625 IonicContact NH1-OE1 3.64Å; R504-E625 VanDerWaalsContact NH2-CD 3.33Å; R504-E625 IonicContact NH2-OE1 3.84Å; R504-E625 PolarHBondContact NH2-OE1 3.45Å; R504-E625 VanDerWaalsContact NH2-OE1 3.17Å; R504-E625 IonicContact NH2-OE2 2.62Å; R504-E625 PolarHBondContact NH2-OE2 2.9Å
505	A	92.6	Very high	80.8	Confident	46 Å²	46	52.2 Å²	52.2	38%	0.38	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	146.2	176.2	0	0	0	0	0	112.3	H510 R621 A622	A505-H510 HydrophobicContact CB-CB 3.48Å; A505-H510 VanDerWaalsContact CB-CB 3.48Å; A505-R621 CarbonylContact C-O 3.57Å; A505-R621 WeakPolarHBondContact CA-O 3.41Å; A505-A622 HydrophobicContact CB-CB 4.48Å
506	D	89.1	Confident	82.7	Confident	90 Å²	90	47 Å²	47	48%	0.481	29%	0.287	S	S	.	.	S	Bend	trans	-107.4	112.6	162.9	175.3	39.4	0	0	0	108.5	R621	D506-R621 VanDerWaalsContact C-NH2 3.33Å; D506-R621 PolarHBondContact N-O 3.24Å; D506-R621 VanDerWaalsContact O-CZ 3.25Å; D506-R621 PolarHBondContact O-NE 3.4Å; D506-R621 PolarHBondContact O-NH2 3.37Å; D506-R621 IonicContact OD1-NH2 3.11Å; D506-R621 IonicContact OD2-CZ 3.87Å; D506-R621 IonicContact OD2-NE 2.69Å; D506-R621 IonicContact OD2-NH1 3.03Å; D506-R621 PolarHBondContact OD2-NH1 2.88Å; D506-R621 IonicContact OD2-NH2 3.94Å; D506-R621 PolarHBondContact OD2-NH2 3.43Å; D506-R621 VanDerWaalsContact OD2-NH2 3.13Å
507	G	89.2	Confident	84.3	Confident	47 Å²	47	47.7 Å²	47.7	49%	0.485	30%	0.295	S	S	.	.	S	Bend	trans	79.3	-155.5	-176.4	0	0	0	0	0	114.5
508	P	88.5	Confident	85.3	Confident	53 Å²	53	51.1 Å²	51.1	34%	0.344	31%	0.309	S	S	.	.	S	Bend	trans	-84.3	-18.1	-161.7	31.3	-37.6	0	0	0	116.1	A526 I531	P508-A526 WeakPolarHBondContact O-CB 3.39Å; P508-A526 PolarHBondContact O-N 3.09Å; P508-I531 HydrophobicContact CB-CD1 4.04Å; P508-I531 HydrophobicContact CG-CD1 3.53Å
509	V	92.1	Very high	86	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.012	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	124.5	177.5	-176.3	0	0	0	0	109.1	I523 Y524 I531 W536 M562 L613	V509-I523 HydrophobicContact CG1-CG2 3.64Å; V509-Y524 WeakPolarHBondContact CA-O 3.48Å; V509-I531 HydrophobicContact CG2-CD1 3.52Å; V509-I531 HydrophobicContact CG2-CG2 4.11Å; V509-W536 HydrophobicContact CB-CH2 4.25Å; V509-W536 HydrophobicContact CB-CZ3 4.14Å; V509-W536 HydrophobicContact CG1-CZ3 4.22Å; V509-W536 HydrophobicContact CG2-CH2 3.77Å; V509-W536 HydrophobicContact CG2-CZ3 4.05Å; V509-M562 HydrophobicContact CB-CE 4.25Å; V509-M562 HydrophobicContact CG1-CE 3.67Å; V509-M562 HydrophobicContact CG2-CE 3.62Å; V509-L613 HydrophobicContact CG1-CD2 3.63Å
510	H	92	Very high	86.6	Confident	47 Å²	47	46.9 Å²	46.9	22%	0.218	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	163.7	178.4	71.1	-82.5	0	0	0	112.6	A505 I523 Y524	A505-H510 HydrophobicContact CB-CB 3.48Å; A505-H510 VanDerWaalsContact CB-CB 3.48Å; H510-I523 WeakPolarHBondContact O-CA 3.47Å; H510-Y524 AromaticContact CE1-CD1 3.58Å; H510-Y524 PolarHBondContact N-O 3.33Å; H510-Y524 VanDerWaalsContact N-O 3.11Å; H510-Y524 PolarHBondContact O-N 2.89Å
511	F	94.3	Very high	87	Confident	4 Å²	4	41.6 Å²	41.6	2%	0.018	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	117	166.6	-60.9	-61.4	0	0	0	108.9	C503 L521 R522 I523 L538 I611 L613 A622 C624	C503-F511 HydrophobicContact CB-CB 4.37Å; F511-L521 HydrophobicContact CB-CD1 4.46Å; F511-L521 HydrophobicContact CD1-CD1 3.59Å; F511-L521 HydrophobicContact CD1-CD2 4.11Å; F511-L521 HydrophobicContact CD1-CG 3.87Å; F511-L521 HydrophobicContact CE1-CD1 3.98Å; F511-L521 HydrophobicContact CE1-CD2 3.68Å; F511-L521 HydrophobicContact CE1-CG 3.98Å; F511-L521 HydrophobicContact CG-CD1 4.1Å; F511-L521 HydrophobicContact CZ-CD2 4.41Å; F511-R522 CarbonylContact C-O 3.58Å; F511-R522 VanDerWaalsContact CA-O 3.28Å; F511-R522 WeakPolarHBondContact CA-O 3.34Å; F511-I523 HydrophobicContact CD1-CD1 4.49Å; F511-I523 HydrophobicContact CD1-CG1 3.61Å; F511-I523 HydrophobicContact CE1-CD1 3.96Å; F511-I523 HydrophobicContact CE1-CG1 3.57Å; F511-L538 HydrophobicContact CE1-CD1 4.29Å; F511-L538 HydrophobicContact CZ-CD1 4.14Å; F511-I611 HydrophobicContact CZ-CG2 4.06Å; F511-L613 HydrophobicContact CE2-CB 4.48Å; F511-L613 HydrophobicContact CZ-CB 3.86Å; F511-A622 HydrophobicContact CD2-CB 3.74Å; F511-A622 HydrophobicContact CE2-CB 3.65Å; F511-A622 HydrophobicContact CG-CB 4.45Å; F511-A622 HydrophobicContact CZ-CB 4.28Å; F511-C624 HydrophobicContact CD2-CB 3.75Å; F511-C624 HydrophobicContact CE2-CB 4.1Å; F511-C624 HydrophobicContact CG-CB 4.33Å
512	A	89	Confident	87.3	Confident	46 Å²	46	44 Å²	44	38%	0.38	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-36.5	-178.5	0	0	0	0	0	112.1	R522	A512-R522 HydrophobicContact CB-CB 4.22Å; A512-R522 PolarHBondContact N-O 2.87Å
513	S	87.5	Confident	87.6	Confident	28 Å²	28	43 Å²	43	20%	0.196	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	160.6	164.6	73.2	0	0	0	0	110.3	D515 R522	S513-D515 WeakPolarHBondContact CB-OD2 3.33Å; S513-D515 PolarHBondContact OG-OD2 2.83Å; S513-R522 PolarHBondContact O-N 2.9Å; S513-R522 WeakPolarHBondContact OG-CD 3.45Å; S513-R522 WeakPolarHBondContact OG-CG 3.42Å; S513-R522 PolarHBondContact OG-NE 3.3Å
514	A	86.7	Confident	87.7	Confident	4 Å²	4	45.1 Å²	45.1	3%	0.033	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	117.4	165.1	0	0	0	0	0	106.4	I501 P516 L520 L521 W604 C624 M626	I501-A514 WeakPolarHBondContact CD1-O 3.45Å; I501-A514 HydrophobicContact CG2-CB 4.25Å; A514-P516 WeakPolarHBondContact O-CD 3.4Å; A514-L520 CarbonylContact C-O 3.57Å; A514-L520 WeakPolarHBondContact CA-O 3.28Å; A514-L521 HydrophobicContact CB-CD1 3.64Å; A514-W604 HydrophobicContact CB-CH2 4.05Å; A514-W604 HydrophobicContact CB-CZ3 3.97Å; A514-C624 WeakPolarHBondContact CB-SG 3.39Å; A514-M626 HydrophobicContact CB-CE 4.27Å
515	D	85.4	Confident	87.9	Confident	41 Å²	41	39.3 Å²	39.3	22%	0.219	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	89.1	-163.4	-60.3	-58.8	0	0	0	109.1	S513 G517 E518 G519 L520	S513-D515 WeakPolarHBondContact CB-OD2 3.33Å; S513-D515 PolarHBondContact OG-OD2 2.83Å; D515-G517 PolarHBondContact O-N 2.9Å; D515-G517 VanDerWaalsContact O-N 3.13Å; D515-E518 PolarHBondContact O-N 2.9Å; D515-E518 VanDerWaalsContact O-N 3.12Å; D515-G519 PolarHBondContact O-N 3.41Å; D515-L520 HydrophobicContact CB-CB 4.4Å; D515-L520 PolarHBondContact N-O 3.36Å; D515-L520 PolarHBondContact O-N 3.47Å
516	P	78.9	Confident	87.8	Confident	47 Å²	47	39.6 Å²	39.6	31%	0.305	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-31.2	-169.8	-23	29.9	0	0	0	114.4	L499 I501 A514 G519 W604	L499-P516 HydrophobicContact CD2-CG 3.75Å; I501-P516 HydrophobicContact CD1-CG 3.69Å; A514-P516 WeakPolarHBondContact O-CD 3.4Å; P516-G519 PolarHBondContact O-N 3.02Å; P516-W604 HydrophobicContact CB-CB 4.29Å; P516-W604 HydrophobicContact CB-CD2 4.12Å; P516-W604 HydrophobicContact CB-CE3 3.66Å; P516-W604 HydrophobicContact CB-CG 4.41Å; P516-W604 HydrophobicContact CB-CZ3 4.25Å; P516-W604 HydrophobicContact CG-CE3 3.66Å; P516-W604 HydrophobicContact CG-CZ3 3.93Å
517	G	74.6	Confident	87.8	Confident	86 Å²	86	36.3 Å²	36.3	89%	0.887	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-28.8	-179.7	0	0	0	0	0	114.3	D515	D515-G517 PolarHBondContact O-N 2.9Å; D515-G517 VanDerWaalsContact O-N 3.13Å
518	E	75.5	Confident	87.9	Confident	134 Å²	134	42 Å²	42	63%	0.626	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97	-10	171.9	-62.1	-165	163.1	0	0	112.2	D515 L520	D515-E518 PolarHBondContact O-N 2.9Å; D515-E518 VanDerWaalsContact O-N 3.12Å; E518-L520 HydrophobicContact CB-CB 4.02Å; E518-L520 PolarHBondContact O-N 2.94Å
519	G	80.7	Confident	88	Confident	9 Å²	9	45 Å²	45	9%	0.093	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.2	23	-168	0	0	0	0	0	113	D515 P516 F571 L572 W604	D515-G519 PolarHBondContact O-N 3.41Å; P516-G519 PolarHBondContact O-N 3.02Å; G519-F571 CarbonylContact O-C 3.52Å; G519-F571 WeakPolarHBondContact O-CA 3.45Å; G519-L572 PolarHBondContact O-N 3.3Å; G519-W604 VanDerWaalsContact C-CZ2 3.46Å
520	L	87.7	Confident	87.9	Confident	3 Å²	3	47.6 Å²	47.6	2%	0.016	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	135.8	-171.8	175.3	59.4	0	0	0	111.7	A514 D515 E518 R522 Q569 F571 W604	A514-L520 CarbonylContact C-O 3.57Å; A514-L520 WeakPolarHBondContact CA-O 3.28Å; D515-L520 HydrophobicContact CB-CB 4.4Å; D515-L520 PolarHBondContact N-O 3.36Å; D515-L520 PolarHBondContact O-N 3.47Å; E518-L520 HydrophobicContact CB-CB 4.02Å; E518-L520 PolarHBondContact O-N 2.94Å; L520-R522 HydrophobicContact CD1-CG 4.44Å; L520-R522 HydrophobicContact CD2-CG 4.35Å; L520-R522 HydrophobicContact CG-CG 4.19Å; L520-Q569 HydrophobicContact CD1-CB 4.03Å; L520-Q569 HydrophobicContact CD1-CG 4.37Å; L520-F571 HydrophobicContact CB-CD1 4.15Å; L520-F571 HydrophobicContact CB-CE1 3.97Å; L520-F571 HydrophobicContact CD1-CD1 4.16Å; L520-F571 HydrophobicContact CD1-CD2 4.2Å; L520-F571 HydrophobicContact CD1-CE1 3.91Å; L520-F571 HydrophobicContact CD1-CE2 3.95Å; L520-F571 HydrophobicContact CD1-CG 4.31Å; L520-F571 HydrophobicContact CD1-CZ 3.8Å; L520-F571 HydrophobicContact CD2-CE1 4.37Å; L520-F571 HydrophobicContact CD2-CZ 4.34Å; L520-F571 HydrophobicContact CG-CE1 4.29Å; L520-F571 HydrophobicContact CG-CZ 4.48Å; L520-W604 WeakPolarHBondContact O-CH2 3.29Å
521	L	89.9	Confident	87.7	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	123	172.6	-179.7	70.5	0	0	0	109	F511 A514 L538 V570 L572 I611	F511-L521 HydrophobicContact CB-CD1 4.46Å; F511-L521 HydrophobicContact CD1-CD1 3.59Å; F511-L521 HydrophobicContact CD1-CD2 4.11Å; F511-L521 HydrophobicContact CD1-CG 3.87Å; F511-L521 HydrophobicContact CE1-CD1 3.98Å; F511-L521 HydrophobicContact CE1-CD2 3.68Å; F511-L521 HydrophobicContact CE1-CG 3.98Å; F511-L521 HydrophobicContact CG-CD1 4.1Å; F511-L521 HydrophobicContact CZ-CD2 4.41Å; A514-L521 HydrophobicContact CB-CD1 3.64Å; L521-L538 HydrophobicContact CD2-CD1 4.29Å; L521-L538 HydrophobicContact CD2-CD2 4.34Å; L521-V570 HydrophobicContact CB-CB 4.37Å; L521-V570 WeakPolarHBondContact CB-O 3.18Å; L521-V570 PolarHBondContact N-O 3.48Å; L521-V570 PolarHBondContact O-N 2.93Å; L521-L572 HydrophobicContact CD2-CD1 4.24Å; L521-I611 HydrophobicContact CD1-CD1 4.17Å; L521-I611 HydrophobicContact CD2-CD1 4.02Å; L521-I611 HydrophobicContact CD2-CG2 3.91Å
522	R	91.8	Very high	87.5	Confident	73 Å²	73	50.4 Å²	50.4	28%	0.275	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	119.5	-178.9	-59.4	-178.6	-171.5	-118.6	3.9	110.6	F511 A512 S513 L520 E567	F511-R522 CarbonylContact C-O 3.58Å; F511-R522 VanDerWaalsContact CA-O 3.28Å; F511-R522 WeakPolarHBondContact CA-O 3.34Å; A512-R522 HydrophobicContact CB-CB 4.22Å; A512-R522 PolarHBondContact N-O 2.87Å; S513-R522 PolarHBondContact O-N 2.9Å; S513-R522 WeakPolarHBondContact OG-CD 3.45Å; S513-R522 WeakPolarHBondContact OG-CG 3.42Å; S513-R522 PolarHBondContact OG-NE 3.3Å; L520-R522 HydrophobicContact CD1-CG 4.44Å; L520-R522 HydrophobicContact CD2-CG 4.35Å; L520-R522 HydrophobicContact CG-CG 4.19Å; R522-E567 HydrophobicContact CB-CG 4.32Å; R522-E567 VanDerWaalsContact CD-OE1 3.31Å; R522-E567 WeakPolarHBondContact CD-OE1 3.22Å; R522-E567 IonicContact CZ-OE1 2.74Å; R522-E567 IonicContact NE-OE1 3.59Å; R522-E567 IonicContact NH1-OE1 3.67Å; R522-E567 PolarHBondContact NH1-OE1 3.32Å; R522-E567 IonicContact NH1-OE2 2.78Å
523	I	93	Very high	87.4	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	131.7	174.3	-65.4	164.6	0	0	0	108	V509 H510 F511 F556 M562 E567 L568 V570 L613	V509-I523 HydrophobicContact CG1-CG2 3.64Å; H510-I523 WeakPolarHBondContact O-CA 3.47Å; F511-I523 HydrophobicContact CD1-CD1 4.49Å; F511-I523 HydrophobicContact CD1-CG1 3.61Å; F511-I523 HydrophobicContact CE1-CD1 3.96Å; F511-I523 HydrophobicContact CE1-CG1 3.57Å; I523-F556 HydrophobicContact CD1-CZ 4.45Å; I523-M562 HydrophobicContact CG2-CE 4.21Å; I523-M562 HydrophobicContact CG2-SD 4.24Å; I523-E567 CarbonylContact O-C 3.58Å; I523-E567 WeakPolarHBondContact O-CA 3.13Å; I523-L568 HydrophobicContact CB-CB 4.25Å; I523-L568 HydrophobicContact CB-CD2 4.21Å; I523-L568 HydrophobicContact CD1-CD2 3.94Å; I523-L568 PolarHBondContact N-O 3.43Å; I523-L568 PolarHBondContact O-N 2.99Å; I523-V570 HydrophobicContact CD1-CG2 4.12Å; I523-L613 HydrophobicContact CG2-CD2 4.26Å
524	Y	93.4	Very high	87.4	Confident	65 Å²	65	47.6 Å²	47.6	26%	0.255	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	141.4	-174.6	-177	-97.8	0	0	0	112.9	V509 H510 A526 H565 S566 E567	V509-Y524 WeakPolarHBondContact CA-O 3.48Å; H510-Y524 AromaticContact CE1-CD1 3.58Å; H510-Y524 PolarHBondContact N-O 3.33Å; H510-Y524 VanDerWaalsContact N-O 3.11Å; H510-Y524 PolarHBondContact O-N 2.89Å; Y524-A526 HydrophobicContact CD1-CB 4.25Å; Y524-A526 HydrophobicContact CE1-CB 4.22Å; Y524-H565 WeakPolarHBondContact CE2-O 3.11Å; Y524-S566 WeakPolarHBondContact CD2-O 3.48Å; Y524-E567 HydrophobicContact CD2-CB 4.18Å
525	N	93.1	Very high	87.5	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	105	171.7	-178.7	5.8	0	0	0	111.1	S527 N529 I531 M562 Q563 H565 S566	N525-S527 PolarHBondContact O-N 2.94Å; N525-S527 PolarHBondContact OD1-N 3.42Å; N525-S527 PolarHBondContact OD1-OG 3.4Å; N525-N529 PolarHBondContact ND2-O 3.15Å; N525-I531 WeakPolarHBondContact OD1-CD1 2.82Å; N525-M562 HydrophobicContact CB-CE 3.81Å; N525-M562 HydrophobicContact CB-CG 4.06Å; N525-M562 HydrophobicContact CB-SD 4.36Å; N525-Q563 WeakPolarHBondContact CB-O 3.39Å; N525-Q563 PolarHBondContact ND2-O 3.45Å; N525-H565 VanDerWaalsContact O-CA 3.26Å; N525-H565 WeakPolarHBondContact O-CA 3.3Å; N525-H565 PolarHBondContact O-N 2.94Å; N525-S566 PolarHBondContact N-O 3.37Å
526	A	90.9	Very high	87.9	Confident	52 Å²	52	49.3 Å²	49.3	43%	0.43	29%	0.285	S	S	.	.			trans	-84.7	17.8	177	0	0	0	0	0	114.6	P508 Y524	P508-A526 WeakPolarHBondContact O-CB 3.39Å; P508-A526 PolarHBondContact O-N 3.09Å; Y524-A526 HydrophobicContact CD1-CB 4.25Å; Y524-A526 HydrophobicContact CE1-CB 4.22Å
527	S	89.1	Confident	88.6	Confident	21 Å²	21	48.5 Å²	48.5	15%	0.147	28%	0.277	C	S	.	.	S	Bend	trans	-117.1	157.2	176.8	73.4	0	0	0	0	113.4	N525 N529 P564 H565	N525-S527 PolarHBondContact O-N 2.94Å; N525-S527 PolarHBondContact OD1-N 3.42Å; N525-S527 PolarHBondContact OD1-OG 3.4Å; S527-N529 PolarHBondContact O-N 2.86Å; S527-N529 PolarHBondContact OG-N 3.5Å; S527-N529 PolarHBondContact OG-O 3.35Å; S527-P564 WeakPolarHBondContact O-CA 3.38Å; S527-H565 PolarHBondContact O-N 3.11Å
528	E	91.5	Very high	89.4	Confident	165 Å²	165	44.5 Å²	44.5	77%	0.771	24%	0.235	S	C	*	.	S	Bend	trans	-72	-4.7	172.2	-60.2	-178.2	164.4	0	0	113.3	P564	E528-P564 WeakPolarHBondContact O-CG 3.49Å
529	N	91.1	Very high	90.2	Very high	117 Å²	117	40.3 Å²	40.3	63%	0.626	21%	0.214	S	C	*	.	S	Bend	trans	-103.1	146.4	-177.6	-69.6	-52.9	0	0	0	111.7	N525 S527	N525-N529 PolarHBondContact ND2-O 3.15Å; S527-N529 PolarHBondContact O-N 2.86Å; S527-N529 PolarHBondContact OG-N 3.5Å; S527-N529 PolarHBondContact OG-O 3.35Å
530	A	89	Confident	90.6	Very high	56 Å²	56	40 Å²	40	46%	0.463	21%	0.21	S	C	.	.			trans	-73.2	131.2	168.8	0	0	0	0	0	109.7	I561 M562	A530-I561 HydrophobicContact CB-CG2 3.79Å; A530-M562 CarbonylContact C-O 3.6Å; A530-M562 WeakPolarHBondContact CA-O 3.24Å
531	I	88.9	Confident	90.3	Very high	24 Å²	24	40 Å²	40	12%	0.123	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	125.8	-175.1	-61.5	179.6	0	0	0	109.6	P508 V509 N525 L533 W536 I561 M562	P508-I531 HydrophobicContact CB-CD1 4.04Å; P508-I531 HydrophobicContact CG-CD1 3.53Å; V509-I531 HydrophobicContact CG2-CD1 3.52Å; V509-I531 HydrophobicContact CG2-CG2 4.11Å; N525-I531 WeakPolarHBondContact OD1-CD1 2.82Å; I531-L533 HydrophobicContact CG2-CD2 4.02Å; I531-L533 PolarHBondContact O-N 2.89Å; I531-W536 HydrophobicContact CG2-CH2 4.25Å; I531-W536 HydrophobicContact CG2-CZ2 4.03Å; I531-I561 CarbonylContact O-C 3.57Å; I531-I561 WeakPolarHBondContact O-CA 3.25Å; I531-M562 PolarHBondContact N-O 3.46Å; I531-M562 PolarHBondContact O-N 2.96Å
532	D	90.1	Very high	89.8	Confident	86 Å²	86	40.9 Å²	40.9	46%	0.46	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	114.1	172.8	-175.9	21.7	0	0	0	111.1	S534 W536	D532-S534 VanDerWaalsContact C-N 3.29Å; D532-S534 VanDerWaalsContact CG-OG 3.31Å; D532-S534 WeakPolarHBondContact OD1-CB 3.41Å; D532-S534 PolarHBondContact OD1-N 2.93Å; D532-S534 PolarHBondContact OD1-OG 3.11Å; D532-S534 WeakPolarHBondContact OD2-CB 3.22Å; D532-S534 PolarHBondContact OD2-OG 2.77Å; D532-W536 PolarHBondContact O-NE1 3Å
533	L	87.4	Confident	88.9	Confident	4 Å²	4	39.5 Å²	39.5	2%	0.021	22%	0.217	C	C	.	.			trans	-89.4	12.1	174.7	-53.5	-179.9	0	0	0	112.2	I531 N535 W536 F556 Q560 M562	I531-L533 HydrophobicContact CG2-CD2 4.02Å; I531-L533 PolarHBondContact O-N 2.89Å; L533-N535 PolarHBondContact O-N 3.44Å; L533-W536 VanDerWaalsContact CA-CD1 3.45Å; L533-W536 HydrophobicContact CB-CB 4.39Å; L533-W536 HydrophobicContact CB-CD2 4.41Å; L533-W536 HydrophobicContact CB-CG 4.17Å; L533-W536 HydrophobicContact CD2-CD2 3.69Å; L533-W536 HydrophobicContact CD2-CE3 3.64Å; L533-W536 HydrophobicContact CD2-CG 4.34Å; L533-W536 HydrophobicContact CD2-CH2 3.92Å; L533-W536 HydrophobicContact CD2-CZ2 3.97Å; L533-W536 HydrophobicContact CD2-CZ3 3.76Å; L533-W536 VanDerWaalsContact O-CB 3.27Å; L533-W536 WeakPolarHBondContact O-CB 3.26Å; L533-W536 VanDerWaalsContact O-CD1 3.28Å; L533-W536 PolarHBondContact O-N 3.02Å; L533-F556 HydrophobicContact CB-CB 4.2Å; L533-F556 HydrophobicContact CB-CG 4.28Å; L533-F556 HydrophobicContact CD1-CD1 4.36Å; L533-F556 HydrophobicContact CD1-CE1 4.41Å; L533-F556 WeakPolarHBondContact O-CB 3.37Å; L533-Q560 WeakPolarHBondContact CA-O 3.44Å; L533-Q560 HydrophobicContact CB-CB 4.33Å; L533-Q560 HydrophobicContact CB-CG 4.31Å; L533-Q560 VanDerWaalsContact CB-O 3.3Å; L533-Q560 WeakPolarHBondContact CB-O 3.17Å; L533-Q560 HydrophobicContact CD1-CG 4.4Å; L533-Q560 PolarHBondContact N-O 2.85Å; L533-M562 HydrophobicContact CD1-CB 3.95Å; L533-M562 HydrophobicContact CD1-CE 4.3Å; L533-M562 HydrophobicContact CD1-SD 4.12Å; L533-M562 HydrophobicContact CD2-CE 4.21Å; L533-M562 HydrophobicContact CG-CB 4.19Å
534	S	87.2	Confident	87.8	Confident	12 Å²	12	44.8 Å²	44.8	8%	0.084	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	119.1	-176.4	-71.1	0	0	0	0	113.6	D532 W536 H557 K558 S559 S616	D532-S534 VanDerWaalsContact C-N 3.29Å; D532-S534 VanDerWaalsContact CG-OG 3.31Å; D532-S534 WeakPolarHBondContact OD1-CB 3.41Å; D532-S534 PolarHBondContact OD1-N 2.93Å; D532-S534 PolarHBondContact OD1-OG 3.11Å; D532-S534 WeakPolarHBondContact OD2-CB 3.22Å; D532-S534 PolarHBondContact OD2-OG 2.77Å; S534-W536 PolarHBondContact O-N 3.25Å; S534-H557 WeakPolarHBondContact CA-O 3.34Å; S534-K558 WeakPolarHBondContact OG-CA 3.45Å; S534-K558 PolarHBondContact OG-O 3.25Å; S534-S559 PolarHBondContact OG-N 3.14Å; S534-S559 VanDerWaalsContact OG-N 3.11Å; S534-S616 WeakPolarHBondContact O-CB 2.98Å
535	N	87.8	Confident	86.7	Confident	62 Å²	62	48.1 Å²	48.1	33%	0.332	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.1	18.2	-174.9	-37.4	-92.8	0	0	0	114.8	L533 H537 F556 K558	L533-N535 PolarHBondContact O-N 3.44Å; N535-H537 PolarHBondContact O-CE1 2.91Å; N535-H537 PolarHBondContact O-ND1 3.03Å; N535-F556 PolarHBondContact N-O 3.23Å; N535-F556 VanDerWaalsContact N-O 3.14Å; N535-K558 VanDerWaalsContact OD1-CE 3.23Å; N535-K558 WeakPolarHBondContact OD1-CE 3.48Å; N535-K558 WeakPolarHBondContact OD1-CG 3.17Å
536	W	94.1	Very high	85.7	Confident	19 Å²	19	52 Å²	52	7%	0.072	30%	0.299	C	S	.	.			trans	-67.9	161.2	165.5	-71.7	41.1	0	0	0	110.3	V509 I531 D532 L533 S534 T555 F556 L613 Q614 D615 R621	V509-W536 HydrophobicContact CB-CH2 4.25Å; V509-W536 HydrophobicContact CB-CZ3 4.14Å; V509-W536 HydrophobicContact CG1-CZ3 4.22Å; V509-W536 HydrophobicContact CG2-CH2 3.77Å; V509-W536 HydrophobicContact CG2-CZ3 4.05Å; I531-W536 HydrophobicContact CG2-CH2 4.25Å; I531-W536 HydrophobicContact CG2-CZ2 4.03Å; D532-W536 PolarHBondContact O-NE1 3Å; L533-W536 VanDerWaalsContact CA-CD1 3.45Å; L533-W536 HydrophobicContact CB-CB 4.39Å; L533-W536 HydrophobicContact CB-CD2 4.41Å; L533-W536 HydrophobicContact CB-CG 4.17Å; L533-W536 HydrophobicContact CD2-CD2 3.69Å; L533-W536 HydrophobicContact CD2-CE3 3.64Å; L533-W536 HydrophobicContact CD2-CG 4.34Å; L533-W536 HydrophobicContact CD2-CH2 3.92Å; L533-W536 HydrophobicContact CD2-CZ2 3.97Å; L533-W536 HydrophobicContact CD2-CZ3 3.76Å; L533-W536 VanDerWaalsContact O-CB 3.27Å; L533-W536 WeakPolarHBondContact O-CB 3.26Å; L533-W536 VanDerWaalsContact O-CD1 3.28Å; L533-W536 PolarHBondContact O-N 3.02Å; S534-W536 PolarHBondContact O-N 3.25Å; W536-T555 WeakPolarHBondContact O-CA 3.44Å; W536-F556 HydrophobicContact CB-CB 4.27Å; W536-F556 HydrophobicContact CB-CD2 3.81Å; W536-F556 HydrophobicContact CB-CG 4.39Å; W536-F556 PolarHBondContact O-N 3Å; W536-L613 HydrophobicContact CE3-CD1 4.11Å; W536-L613 HydrophobicContact CE3-CD2 3.98Å; W536-L613 HydrophobicContact CE3-CG 3.85Å; W536-L613 HydrophobicContact CZ3-CD2 3.87Å; W536-L613 HydrophobicContact CZ3-CG 4.14Å; W536-Q614 CarbonylContact C-O 3.58Å; W536-Q614 VanDerWaalsContact CA-O 3.29Å; W536-Q614 WeakPolarHBondContact CA-O 3.45Å; W536-Q614 WeakPolarHBondContact CB-O 3.43Å; W536-D615 HydrophobicContact CD2-CB 3.99Å; W536-D615 HydrophobicContact CG-CB 4.35Å; W536-D615 HydrophobicContact CZ2-CB 4.07Å; W536-R621 HydrophobicContact CE3-CG 4.38Å; W536-R621 HydrophobicContact CH2-CB 4.21Å; W536-R621 HydrophobicContact CH2-CG 3.77Å; W536-R621 HydrophobicContact CZ2-CG 4.42Å; W536-R621 HydrophobicContact CZ3-CB 3.9Å; W536-R621 HydrophobicContact CZ3-CG 3.73Å
537	H	93	Very high	84.9	Confident	30 Å²	30	51.2 Å²	51.2	14%	0.139	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	136	-171.4	-70.4	101.9	0	0	0	112.3	N535 Y539 K552 Y554 T555 L613 Q614	N535-H537 PolarHBondContact O-CE1 2.91Å; N535-H537 PolarHBondContact O-ND1 3.03Å; H537-Y539 HydrophobicContact CB-CD2 4.1Å; H537-Y539 HydrophobicContact CB-CE2 3.4Å; H537-Y539 VanDerWaalsContact CB-CE2 3.4Å; H537-K552 VanDerWaalsContact CD2-CD 3.5Å; H537-K552 WeakPolarHBondContact CD2-CD 3.43Å; H537-K552 WeakPolarHBondContact CD2-CE 3.23Å; H537-K552 PolarHBondContact CD2-NZ 3.48Å; H537-K552 PolarHBondContact NE2-NZ 2.89Å; H537-Y554 WeakPolarHBondContact CA-O 3.37Å; H537-T555 PolarHBondContact CD2-OG1 2.79Å; H537-T555 WeakPolarHBondContact NE2-CG2 3.29Å; H537-T555 PolarHBondContact NE2-OG1 2.87Å; H537-L613 WeakPolarHBondContact O-CA 3.47Å; H537-Q614 HydrophobicContact CB-CB 4.31Å; H537-Q614 PolarHBondContact N-O 3.16Å; H537-Q614 PolarHBondContact O-N 3.07Å
538	L	92.7	Very high	84.1	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.005	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	128.4	169.6	-169	69.5	0	0	0	109	F511 L521 K552 L553 Y554 V570 L572 L597 I611 L613	F511-L538 HydrophobicContact CE1-CD1 4.29Å; F511-L538 HydrophobicContact CZ-CD1 4.14Å; L521-L538 HydrophobicContact CD2-CD1 4.29Å; L521-L538 HydrophobicContact CD2-CD2 4.34Å; L538-K552 CarbonylContact O-C 3.58Å; L538-L553 HydrophobicContact CD2-CB 4.4Å; L538-L553 HydrophobicContact CD2-CD1 4.3Å; L538-L553 HydrophobicContact CG-CB 4.49Å; L538-L553 HydrophobicContact CG-CD1 4.49Å; L538-L553 PolarHBondContact O-N 3.36Å; L538-Y554 PolarHBondContact N-O 2.85Å; L538-Y554 PolarHBondContact O-N 3.26Å; L538-V570 HydrophobicContact CD2-CG1 4.26Å; L538-L572 HydrophobicContact CD2-CD2 4.44Å; L538-L597 HydrophobicContact CD2-CD1 4.14Å; L538-I611 HydrophobicContact CD1-CG2 3.64Å; L538-I611 HydrophobicContact CG-CG2 4.23Å; L538-L613 HydrophobicContact CD1-CD1 4.39Å
539	Y	91.3	Very high	83.6	Confident	46 Å²	46	50 Å²	50	18%	0.18	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	155.4	174.9	-62	-100.1	0	0	0	111.1	H537 V551 K552 I611 A612 Q614	H537-Y539 HydrophobicContact CB-CD2 4.1Å; H537-Y539 HydrophobicContact CB-CE2 3.4Å; H537-Y539 VanDerWaalsContact CB-CE2 3.4Å; Y539-V551 CarbonylContact C-O 3.58Å; Y539-V551 VanDerWaalsContact CA-O 3.26Å; Y539-V551 WeakPolarHBondContact CA-O 3.39Å; Y539-K552 HydrophobicContact CD1-CB 3.87Å; Y539-K552 HydrophobicContact CE1-CB 3.74Å; Y539-K552 HydrophobicContact CE1-CG 4.28Å; Y539-K552 VanDerWaalsContact CZ-CE 3.45Å; Y539-K552 WeakPolarHBondContact OH-CE 3.39Å; Y539-K552 PolarHBondContact OH-NZ 3.21Å; Y539-I611 WeakPolarHBondContact O-CA 3.12Å; Y539-I611 WeakPolarHBondContact O-CG2 3.32Å; Y539-A612 PolarHBondContact N-O 3.45Å; Y539-A612 PolarHBondContact O-N 3.34Å; Y539-Q614 HydrophobicContact CD2-CB 4.36Å; Y539-Q614 HydrophobicContact CE2-CB 3.95Å; Y539-Q614 PolarHBondContact OH-OE1 2.65Å
540	A	88.7	Confident	83.3	Confident	2 Å²	2	49.7 Å²	49.7	2%	0.017	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	144.7	163.7	0	0	0	0	0	111.1	V551 L553 V603 L610	A540-V551 PolarHBondContact N-O 3.09Å; A540-V551 PolarHBondContact O-N 3.11Å; A540-L553 HydrophobicContact CB-CD1 3.81Å; A540-L553 HydrophobicContact CB-CD2 4.23Å; A540-L553 HydrophobicContact CB-CG 4.12Å; A540-V603 HydrophobicContact CB-CB 4.47Å; A540-V603 HydrophobicContact CB-CG1 3.84Å; A540-V603 HydrophobicContact CB-CG2 3.96Å; A540-L610 WeakPolarHBondContact CA-O 3.46Å
541	G	82.7	Confident	83.2	Confident	3 Å²	3	49.2 Å²	49.2	3%	0.031	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177	171.6	176.6	0	0	0	0	0	111.2	D549 L610	G541-D549 WeakPolarHBondContact CA-O 3.25Å; G541-L610 PolarHBondContact N-O 2.74Å; G541-L610 VanDerWaalsContact N-O 3.08Å; G541-L610 WeakPolarHBondContact O-CA 3.44Å; G541-L610 WeakPolarHBondContact O-CB 3.3Å; G541-L610 PolarHBondContact O-N 3.31Å
542	P	79.9	Confident	83.2	Confident	19 Å²	19	52.8 Å²	52.8	12%	0.123	29%	0.292	C	S	.	.			cis	-63	154.8	-7.6	29.2	-35.8	0	0	0	112.3	H544 S547 D549	P542-H544 VanDerWaalsContact C-N 3.32Å; P542-S547 WeakPolarHBondContact CB-O 3.45Å; P542-D549 WeakPolarHBondContact CA-O 3.3Å
543	T	72.4	Confident	83.1	Confident	44 Å²	44	50 Å²	50	27%	0.27	28%	0.277	S	S	.	.	S	Bend	trans	-78.5	-19.6	179.8	64.1	0	0	0	0	113.5	D549 V551 V601	T543-D549 WeakPolarHBondContact CB-OD2 3.47Å; T543-D549 WeakPolarHBondContact CG2-OD2 3.25Å; T543-D549 PolarHBondContact N-OD1 2.84Å; T543-D549 PolarHBondContact OG1-OD1 2.94Å; T543-D549 PolarHBondContact OG1-OD2 3.48Å; T543-V551 HydrophobicContact CG2-CB 4.45Å; T543-V551 HydrophobicContact CG2-CG2 3.5Å; T543-V601 HydrophobicContact CG2-CG1 4.01Å; T543-V601 HydrophobicContact CG2-CG2 3.81Å
544	H	70.5	Confident	83.2	Confident	113 Å²	113	53.1 Å²	53.1	52%	0.523	29%	0.289	S	S	.	.	S	Bend	trans	-149.2	154.7	179.2	54.5	-73	0	0	0	110.5	P542 G546 S547 D549	P542-H544 VanDerWaalsContact C-N 3.32Å; H544-G546 PolarHBondContact O-N 3.02Å; H544-S547 VanDerWaalsContact CE1-CB 3.41Å; H544-S547 WeakPolarHBondContact CE1-CB 3.48Å; H544-S547 PolarHBondContact CE1-OG 2.63Å; H544-S547 VanDerWaalsContact CE1-OG 3.26Å; H544-S547 VanDerWaalsContact O-CB 3.25Å; H544-S547 WeakPolarHBondContact O-CB 3.33Å; H544-S547 PolarHBondContact O-N 2.88Å; H544-S547 VanDerWaalsContact O-N 3.09Å; H544-D549 IonicContact ND1-OD1 2.68Å
545	E	70.2	Confident	83.4	Confident	135 Å²	135	55.6 Å²	55.6	63%	0.631	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	130.2	-177	-171.9	173.8	-156.8	0	0	111.2	S547 Y607	E545-S547 VanDerWaalsContact C-N 3.35Å; E545-Y607 WeakPolarHBondContact OE1-CD1 3.31Å
546	G	70.3	Confident	83.5	Confident	81 Å²	81	52.9 Å²	52.9	84%	0.835	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.4	-2.5	-176.8	0	0	0	0	0	116	H544	H544-G546 PolarHBondContact O-N 3.02Å
547	S	74	Confident	83	Confident	35 Å²	35	57.6 Å²	57.6	25%	0.245	31%	0.312	C	S	.	.			trans	-82.7	175.1	175.1	-168.9	0	0	0	0	113.2	P542 H544 E545 D549	P542-S547 WeakPolarHBondContact CB-O 3.45Å; H544-S547 VanDerWaalsContact CE1-CB 3.41Å; H544-S547 WeakPolarHBondContact CE1-CB 3.48Å; H544-S547 PolarHBondContact CE1-OG 2.63Å; H544-S547 VanDerWaalsContact CE1-OG 3.26Å; H544-S547 VanDerWaalsContact O-CB 3.25Å; H544-S547 WeakPolarHBondContact O-CB 3.33Å; H544-S547 PolarHBondContact O-N 2.88Å; H544-S547 VanDerWaalsContact O-N 3.09Å; E545-S547 VanDerWaalsContact C-N 3.35Å; S547-D549 VanDerWaalsContact CB-OD1 3.28Å; S547-D549 WeakPolarHBondContact CB-OD1 3.34Å; S547-D549 VanDerWaalsContact OG-CG 3.3Å; S547-D549 PolarHBondContact OG-N 3Å; S547-D549 PolarHBondContact OG-OD1 3.43Å
548	S	73	Confident	82.4	Confident	104 Å²	104	63.6 Å²	63.6	73%	0.727	34%	0.337	S	S	*	.			trans	-134.9	16.7	174.1	59.3	0	0	0	0	113.1	Y550	S548-Y550 WeakPolarHBondContact O-CD2 3.5Å; S548-Y550 WeakPolarHBondContact O-CE2 3.43Å
549	D	82	Confident	81.8	Confident	56 Å²	56	67.2 Å²	67.2	30%	0.299	36%	0.363	S	S	.	.			trans	-86.8	143.9	-176.2	70.4	-43	0	0	0	113.5	G541 P542 T543 H544 S547	G541-D549 WeakPolarHBondContact CA-O 3.25Å; P542-D549 WeakPolarHBondContact CA-O 3.3Å; T543-D549 WeakPolarHBondContact CB-OD2 3.47Å; T543-D549 WeakPolarHBondContact CG2-OD2 3.25Å; T543-D549 PolarHBondContact N-OD1 2.84Å; T543-D549 PolarHBondContact OG1-OD1 2.94Å; T543-D549 PolarHBondContact OG1-OD2 3.48Å; H544-D549 IonicContact ND1-OD1 2.68Å; S547-D549 VanDerWaalsContact CB-OD1 3.28Å; S547-D549 WeakPolarHBondContact CB-OD1 3.34Å; S547-D549 VanDerWaalsContact OG-CG 3.3Å; S547-D549 PolarHBondContact OG-N 3Å; S547-D549 PolarHBondContact OG-OD1 3.43Å
550	Y	84.4	Confident	81.5	Confident	112 Å²	112	68.1 Å²	68.1	44%	0.439	37%	0.369	S	S	.	.			trans	-124.9	122.1	-178.4	-72.1	-88.3	0	0	0	111.4	S548 L610	S548-Y550 WeakPolarHBondContact O-CD2 3.5Å; S548-Y550 WeakPolarHBondContact O-CE2 3.43Å; Y550-L610 HydrophobicContact CE1-CB 4.16Å; Y550-L610 HydrophobicContact CE1-CD2 3.87Å; Y550-L610 HydrophobicContact CE1-CG 4.33Å; Y550-L610 WeakPolarHBondContact OH-CD2 3.44Å
551	V	86.6	Confident	81.4	Confident	46 Å²	46	72.3 Å²	72.3	28%	0.279	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	128.8	178	173.6	0	0	0	0	109.8	Y539 A540 T543 L553 V601	Y539-V551 CarbonylContact C-O 3.58Å; Y539-V551 VanDerWaalsContact CA-O 3.26Å; Y539-V551 WeakPolarHBondContact CA-O 3.39Å; A540-V551 PolarHBondContact N-O 3.09Å; A540-V551 PolarHBondContact O-N 3.11Å; T543-V551 HydrophobicContact CG2-CB 4.45Å; T543-V551 HydrophobicContact CG2-CG2 3.5Å; V551-L553 HydrophobicContact CG1-CD2 4.45Å; V551-L553 PolarHBondContact O-N 2.85Å; V551-V601 HydrophobicContact CB-CG2 4.12Å; V551-V601 HydrophobicContact CG1-CG2 4.28Å; V551-V601 HydrophobicContact CG2-CG2 3.96Å
552	K	89.4	Confident	81.6	Confident	98 Å²	98	72.6 Å²	72.6	43%	0.426	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	113.7	174	-178.7	172.8	-70.1	-166.6	0	109.6	H537 L538 Y539	H537-K552 VanDerWaalsContact CD2-CD 3.5Å; H537-K552 WeakPolarHBondContact CD2-CD 3.43Å; H537-K552 WeakPolarHBondContact CD2-CE 3.23Å; H537-K552 PolarHBondContact CD2-NZ 3.48Å; H537-K552 PolarHBondContact NE2-NZ 2.89Å; L538-K552 CarbonylContact O-C 3.58Å; Y539-K552 HydrophobicContact CD1-CB 3.87Å; Y539-K552 HydrophobicContact CE1-CB 3.74Å; Y539-K552 HydrophobicContact CE1-CG 4.28Å; Y539-K552 VanDerWaalsContact CZ-CE 3.45Å; Y539-K552 WeakPolarHBondContact OH-CE 3.39Å; Y539-K552 PolarHBondContact OH-NZ 3.21Å
553	L	87.6	Confident	82.1	Confident	27 Å²	27	76.9 Å²	76.9	14%	0.141	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-36.6	177.6	-55.2	-171.5	0	0	0	112	L538 A540 V551 L572 L597 T599 V603	L538-L553 HydrophobicContact CD2-CB 4.4Å; L538-L553 HydrophobicContact CD2-CD1 4.3Å; L538-L553 HydrophobicContact CG-CB 4.49Å; L538-L553 HydrophobicContact CG-CD1 4.49Å; L538-L553 PolarHBondContact O-N 3.36Å; A540-L553 HydrophobicContact CB-CD1 3.81Å; A540-L553 HydrophobicContact CB-CD2 4.23Å; A540-L553 HydrophobicContact CB-CG 4.12Å; V551-L553 HydrophobicContact CG1-CD2 4.45Å; V551-L553 PolarHBondContact O-N 2.85Å; L553-L572 HydrophobicContact CD1-CD1 4.19Å; L553-L572 HydrophobicContact CD1-CD2 4.06Å; L553-L597 HydrophobicContact CB-CD1 4.39Å; L553-T599 HydrophobicContact CD1-CG2 4.11Å; L553-T599 HydrophobicContact CD2-CG2 3.81Å; L553-T599 HydrophobicContact CG-CG2 4.45Å; L553-V603 HydrophobicContact CD1-CG2 4.18Å
554	Y	89.5	Confident	82.9	Confident	71 Å²	71	77 Å²	77	28%	0.278	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	152.8	-175.8	-166	-118.2	0	0	0	113.2	H537 L538 F556 L595 L597	H537-Y554 WeakPolarHBondContact CA-O 3.37Å; L538-Y554 PolarHBondContact N-O 2.85Å; L538-Y554 PolarHBondContact O-N 3.26Å; Y554-F556 HydrophobicContact CD1-CD1 4.01Å; Y554-F556 HydrophobicContact CD1-CD2 4.18Å; Y554-F556 HydrophobicContact CD1-CE1 4.01Å; Y554-F556 HydrophobicContact CD1-CE2 4.17Å; Y554-F556 HydrophobicContact CD1-CG 4.11Å; Y554-F556 HydrophobicContact CD1-CZ 4.09Å; Y554-F556 AromaticContact CE1-CD1 3.68Å; Y554-F556 HydrophobicContact CE1-CD1 3.68Å; Y554-F556 AromaticContact CE1-CE1 3.89Å; Y554-F556 HydrophobicContact CE1-CE1 3.89Å; Y554-F556 HydrophobicContact CE1-CG 4.06Å; Y554-F556 HydrophobicContact CE1-CZ 4.44Å; Y554-L595 HydrophobicContact CD1-CD2 3.73Å; Y554-L595 HydrophobicContact CD2-CD2 4.3Å; Y554-L595 HydrophobicContact CE1-CD1 4.36Å; Y554-L595 HydrophobicContact CE1-CD2 3.65Å; Y554-L595 HydrophobicContact CE2-CD1 4.16Å; Y554-L595 HydrophobicContact CE2-CD2 4.24Å; Y554-L595 HydrophobicContact CG-CD2 4.06Å; Y554-L597 HydrophobicContact CD2-CD2 3.63Å; Y554-L597 HydrophobicContact CE2-CD2 4.24Å; Y554-L597 HydrophobicContact CG-CD1 4.33Å; Y554-L597 HydrophobicContact CG-CD2 4.13Å
555	T	91.1	Very high	83.8	Confident	64 Å²	64	76.7 Å²	76.7	39%	0.393	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	125.2	165.9	-63.5	0	0	0	0	108.4	W536 H537	W536-T555 WeakPolarHBondContact O-CA 3.44Å; H537-T555 PolarHBondContact CD2-OG1 2.79Å; H537-T555 WeakPolarHBondContact NE2-CG2 3.29Å; H537-T555 PolarHBondContact NE2-OG1 2.87Å
556	F	90	Very high	84.8	Confident	5 Å²	5	71.6 Å²	71.6	2%	0.022	39%	0.389	C	S	.	.			trans	-73.4	138.7	177.4	-73.1	-81.4	0	0	0	111.7	I523 L533 N535 W536 Y554 Q560 L568 L613	I523-F556 HydrophobicContact CD1-CZ 4.45Å; L533-F556 HydrophobicContact CB-CB 4.2Å; L533-F556 HydrophobicContact CB-CG 4.28Å; L533-F556 HydrophobicContact CD1-CD1 4.36Å; L533-F556 HydrophobicContact CD1-CE1 4.41Å; L533-F556 WeakPolarHBondContact O-CB 3.37Å; N535-F556 PolarHBondContact N-O 3.23Å; N535-F556 VanDerWaalsContact N-O 3.14Å; W536-F556 HydrophobicContact CB-CB 4.27Å; W536-F556 HydrophobicContact CB-CD2 3.81Å; W536-F556 HydrophobicContact CB-CG 4.39Å; W536-F556 PolarHBondContact O-N 3Å; Y554-F556 HydrophobicContact CD1-CD1 4.01Å; Y554-F556 HydrophobicContact CD1-CD2 4.18Å; Y554-F556 HydrophobicContact CD1-CE1 4.01Å; Y554-F556 HydrophobicContact CD1-CE2 4.17Å; Y554-F556 HydrophobicContact CD1-CG 4.11Å; Y554-F556 HydrophobicContact CD1-CZ 4.09Å; Y554-F556 AromaticContact CE1-CD1 3.68Å; Y554-F556 HydrophobicContact CE1-CD1 3.68Å; Y554-F556 AromaticContact CE1-CE1 3.89Å; Y554-F556 HydrophobicContact CE1-CE1 3.89Å; Y554-F556 HydrophobicContact CE1-CG 4.06Å; Y554-F556 HydrophobicContact CE1-CZ 4.44Å; F556-Q560 HydrophobicContact CD1-CG 4.12Å; F556-L568 HydrophobicContact CE1-CD2 3.55Å; F556-L568 HydrophobicContact CZ-CD2 3.73Å; F556-L613 HydrophobicContact CE2-CD1 3.8Å
557	H	84.4	Confident	85.7	Confident	118 Å²	118	70.4 Å²	70.4	55%	0.546	36%	0.361	S	S	.	.			trans	-62	151.8	-175.1	-171.2	-99.3	0	0	0	112.4	S534 S559 Q560	S534-H557 WeakPolarHBondContact CA-O 3.34Å; H557-S559 PolarHBondContact ND1-OG 3.18Å; H557-S559 PolarHBondContact O-N 3.33Å; H557-Q560 WeakPolarHBondContact O-CB 3.09Å; H557-Q560 PolarHBondContact O-N 2.83Å
558	K	80	Confident	86.5	Confident	155 Å²	155	69.3 Å²	69.3	67%	0.674	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	24.9	-178.1	-60	-171.9	176.9	-175.8	0	115.5	S534 N535	S534-K558 WeakPolarHBondContact OG-CA 3.45Å; S534-K558 PolarHBondContact OG-O 3.25Å; N535-K558 VanDerWaalsContact OD1-CE 3.23Å; N535-K558 WeakPolarHBondContact OD1-CE 3.48Å; N535-K558 WeakPolarHBondContact OD1-CG 3.17Å
559	S	80.6	Confident	87.3	Confident	77 Å²	77	66.3 Å²	66.3	54%	0.538	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-159.6	20.9	177.4	68.8	0	0	0	0	111.6	S534 H557 I561	S534-S559 PolarHBondContact OG-N 3.14Å; S534-S559 VanDerWaalsContact OG-N 3.11Å; H557-S559 PolarHBondContact ND1-OG 3.18Å; H557-S559 PolarHBondContact O-N 3.33Å; S559-I561 PolarHBondContact O-N 2.84Å
560	Q	83.4	Confident	87.6	Confident	65 Å²	65	63.6 Å²	63.6	30%	0.304	31%	0.313	S	S	.	.			trans	-86	92.6	-174.3	-174.3	66.3	42.6	0	0	110	L533 F556 H557	L533-Q560 WeakPolarHBondContact CA-O 3.44Å; L533-Q560 HydrophobicContact CB-CB 4.33Å; L533-Q560 HydrophobicContact CB-CG 4.31Å; L533-Q560 VanDerWaalsContact CB-O 3.3Å; L533-Q560 WeakPolarHBondContact CB-O 3.17Å; L533-Q560 HydrophobicContact CD1-CG 4.4Å; L533-Q560 PolarHBondContact N-O 2.85Å; F556-Q560 HydrophobicContact CD1-CG 4.12Å; H557-Q560 WeakPolarHBondContact O-CB 3.09Å; H557-Q560 PolarHBondContact O-N 2.83Å
561	I	86.6	Confident	87.8	Confident	90 Å²	90	60.5 Å²	60.5	46%	0.462	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	124	178.3	-58.9	173.5	0	0	0	109.6	A530 I531 S559	A530-I561 HydrophobicContact CB-CG2 3.79Å; I531-I561 CarbonylContact O-C 3.57Å; I531-I561 WeakPolarHBondContact O-CA 3.25Å; S559-I561 PolarHBondContact O-N 2.84Å
562	M	87.1	Confident	87.6	Confident	10 Å²	10	58.4 Å²	58.4	5%	0.049	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	122.4	173	-170.9	160.3	66.1	0	0	109.2	V509 I523 N525 A530 I531 L533 S566 L568	V509-M562 HydrophobicContact CB-CE 4.25Å; V509-M562 HydrophobicContact CG1-CE 3.67Å; V509-M562 HydrophobicContact CG2-CE 3.62Å; I523-M562 HydrophobicContact CG2-CE 4.21Å; I523-M562 HydrophobicContact CG2-SD 4.24Å; N525-M562 HydrophobicContact CB-CE 3.81Å; N525-M562 HydrophobicContact CB-CG 4.06Å; N525-M562 HydrophobicContact CB-SD 4.36Å; A530-M562 CarbonylContact C-O 3.6Å; A530-M562 WeakPolarHBondContact CA-O 3.24Å; I531-M562 PolarHBondContact N-O 3.46Å; I531-M562 PolarHBondContact O-N 2.96Å; L533-M562 HydrophobicContact CD1-CB 3.95Å; L533-M562 HydrophobicContact CD1-CE 4.3Å; L533-M562 HydrophobicContact CD1-SD 4.12Å; L533-M562 HydrophobicContact CD2-CE 4.21Å; L533-M562 HydrophobicContact CG-CB 4.19Å; M562-S566 VanDerWaalsContact CG-OG 3.31Å; M562-S566 WeakPolarHBondContact CG-OG 3.42Å; M562-L568 HydrophobicContact SD-CB 4.42Å
563	Q	90.2	Very high	86.9	Confident	108 Å²	108	56.9 Å²	56.9	51%	0.505	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-71.7	160.8	-174.9	-64.5	-58.9	-30	0	0	111.9	N525 H565 S566	N525-Q563 WeakPolarHBondContact CB-O 3.39Å; N525-Q563 PolarHBondContact ND2-O 3.45Å; Q563-H565 PolarHBondContact O-N 2.94Å; Q563-S566 PolarHBondContact N-OG 2.95Å; Q563-S566 WeakPolarHBondContact O-CB 3.29Å; Q563-S566 PolarHBondContact O-N 3.09Å; Q563-S566 PolarHBondContact O-OG 3.27Å
564	P	90.8	Very high	86.1	Confident	47 Å²	47	60.8 Å²	60.8	31%	0.305	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	137	170.3	-25.7	34.9	0	0	0	111.5	S527 E528 S566	S527-P564 WeakPolarHBondContact O-CA 3.38Å; E528-P564 WeakPolarHBondContact O-CG 3.49Å; P564-S566 PolarHBondContact O-N 3.3Å
565	H	89.4	Confident	85	Confident	106 Å²	106	58 Å²	58	49%	0.491	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	26.8	177.9	-56.3	114.1	0	0	0	115.7	Y524 N525 S527 Q563	Y524-H565 WeakPolarHBondContact CE2-O 3.11Å; N525-H565 VanDerWaalsContact O-CA 3.26Å; N525-H565 WeakPolarHBondContact O-CA 3.3Å; N525-H565 PolarHBondContact O-N 2.94Å; S527-H565 PolarHBondContact O-N 3.11Å; Q563-H565 PolarHBondContact O-N 2.94Å
566	S	90.3	Very high	83.4	Confident	29 Å²	29	59.1 Å²	59.1	20%	0.203	31%	0.308	C	S	.	.			trans	-98.9	149	179.3	66.4	0	0	0	0	113.5	Y524 N525 M562 Q563 P564	Y524-S566 WeakPolarHBondContact CD2-O 3.48Å; N525-S566 PolarHBondContact N-O 3.37Å; M562-S566 VanDerWaalsContact CG-OG 3.31Å; M562-S566 WeakPolarHBondContact CG-OG 3.42Å; Q563-S566 PolarHBondContact N-OG 2.95Å; Q563-S566 WeakPolarHBondContact O-CB 3.29Å; Q563-S566 PolarHBondContact O-N 3.09Å; Q563-S566 PolarHBondContact O-OG 3.27Å; P564-S566 PolarHBondContact O-N 3.3Å
567	E	90.2	Very high	81.8	Confident	56 Å²	56	63.8 Å²	63.8	26%	0.262	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	139.4	175.9	-170.8	-178.1	128.8	0	0	110.4	R522 I523 Y524 Q569	R522-E567 HydrophobicContact CB-CG 4.32Å; R522-E567 VanDerWaalsContact CD-OE1 3.31Å; R522-E567 WeakPolarHBondContact CD-OE1 3.22Å; R522-E567 IonicContact CZ-OE1 2.74Å; R522-E567 IonicContact NE-OE1 3.59Å; R522-E567 IonicContact NH1-OE1 3.67Å; R522-E567 PolarHBondContact NH1-OE1 3.32Å; R522-E567 IonicContact NH1-OE2 2.78Å; I523-E567 CarbonylContact O-C 3.58Å; I523-E567 WeakPolarHBondContact O-CA 3.13Å; Y524-E567 HydrophobicContact CD2-CB 4.18Å; E567-Q569 HydrophobicContact CG-CG 4.34Å; E567-Q569 VanDerWaalsContact OE1-CG 3.22Å; E567-Q569 WeakPolarHBondContact OE1-CG 3.21Å; E567-Q569 PolarHBondContact OE1-NE2 2.94Å
568	L	89.6	Confident	80.2	Confident	11 Å²	11	63.7 Å²	63.7	6%	0.058	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	121.4	170.7	169.6	80.6	0	0	0	107.6	I523 F556 M562 V570 A593	I523-L568 HydrophobicContact CB-CB 4.25Å; I523-L568 HydrophobicContact CB-CD2 4.21Å; I523-L568 HydrophobicContact CD1-CD2 3.94Å; I523-L568 PolarHBondContact N-O 3.43Å; I523-L568 PolarHBondContact O-N 2.99Å; F556-L568 HydrophobicContact CE1-CD2 3.55Å; F556-L568 HydrophobicContact CZ-CD2 3.73Å; M562-L568 HydrophobicContact SD-CB 4.42Å; L568-V570 HydrophobicContact CD2-CG2 4.11Å; L568-V570 HydrophobicContact CG-CG2 4.1Å; L568-A593 HydrophobicContact CD1-CB 3.6Å; L568-A593 WeakPolarHBondContact CD1-O 3.47Å
569	Q	90.2	Very high	78.9	Confident	41 Å²	41	60.6 Å²	60.6	19%	0.192	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	121	-178.8	-71.2	-179.2	-3.2	0	0	110.6	L520 E567 A593 V594 L595	L520-Q569 HydrophobicContact CD1-CB 4.03Å; L520-Q569 HydrophobicContact CD1-CG 4.37Å; E567-Q569 HydrophobicContact CG-CG 4.34Å; E567-Q569 VanDerWaalsContact OE1-CG 3.22Å; E567-Q569 WeakPolarHBondContact OE1-CG 3.21Å; E567-Q569 PolarHBondContact OE1-NE2 2.94Å; Q569-A593 PolarHBondContact N-O 2.84Å; Q569-V594 HydrophobicContact CB-CG2 4.45Å; Q569-V594 WeakPolarHBondContact O-CA 3.28Å; Q569-L595 PolarHBondContact O-N 3.46Å
570	V	89.2	Confident	77.3	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	108.8	-178.2	-174.6	0	0	0	0	109.5	L521 I523 L538 L568 L572 L595 L597	L521-V570 HydrophobicContact CB-CB 4.37Å; L521-V570 WeakPolarHBondContact CB-O 3.18Å; L521-V570 PolarHBondContact N-O 3.48Å; L521-V570 PolarHBondContact O-N 2.93Å; I523-V570 HydrophobicContact CD1-CG2 4.12Å; L538-V570 HydrophobicContact CD2-CG1 4.26Å; L568-V570 HydrophobicContact CD2-CG2 4.11Å; L568-V570 HydrophobicContact CG-CG2 4.1Å; V570-L572 HydrophobicContact CG1-CD2 3.71Å; V570-L572 HydrophobicContact CG1-CG 4.35Å; V570-L595 CarbonylContact C-O 3.59Å; V570-L595 WeakPolarHBondContact CA-O 3.34Å; V570-L595 HydrophobicContact CG1-CD2 4.27Å; V570-L595 HydrophobicContact CG2-CB 4.31Å; V570-L595 HydrophobicContact CG2-CD2 4.3Å; V570-L597 HydrophobicContact CG1-CD1 3.68Å; V570-L597 HydrophobicContact CG1-CG 4.17Å
571	F	86.9	Confident	75.3	Confident	46 Å²	46	61.9 Å²	61.9	20%	0.202	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	122.5	172.6	-69.8	-88.2	0	0	0	109.8	G519 L520 V594 L595 H596 L597	G519-F571 CarbonylContact O-C 3.52Å; G519-F571 WeakPolarHBondContact O-CA 3.45Å; L520-F571 HydrophobicContact CB-CD1 4.15Å; L520-F571 HydrophobicContact CB-CE1 3.97Å; L520-F571 HydrophobicContact CD1-CD1 4.16Å; L520-F571 HydrophobicContact CD1-CD2 4.2Å; L520-F571 HydrophobicContact CD1-CE1 3.91Å; L520-F571 HydrophobicContact CD1-CE2 3.95Å; L520-F571 HydrophobicContact CD1-CG 4.31Å; L520-F571 HydrophobicContact CD1-CZ 3.8Å; L520-F571 HydrophobicContact CD2-CE1 4.37Å; L520-F571 HydrophobicContact CD2-CZ 4.34Å; L520-F571 HydrophobicContact CG-CE1 4.29Å; L520-F571 HydrophobicContact CG-CZ 4.48Å; F571-V594 HydrophobicContact CD2-CG1 3.76Å; F571-V594 HydrophobicContact CE2-CG1 3.71Å; F571-L595 PolarHBondContact N-O 2.72Å; F571-H596 WeakPolarHBondContact CB-ND1 3.08Å; F571-H596 AromaticContact CD2-CE1 3.46Å; F571-H596 VanDerWaalsContact CD2-CE1 3.46Å; F571-H596 WeakPolarHBondContact CD2-CE1 3.24Å; F571-H596 AromaticContact CD2-ND1 3.69Å; F571-H596 AromaticContact CG-CE1 3.83Å; F571-H596 AromaticContact CG-ND1 3.73Å; F571-L597 PolarHBondContact O-N 3.13Å
572	L	84.3	Confident	73.1	Confident	2 Å²	2	63 Å²	63	1%	0.01	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	94.8	-179.7	-59.3	-175.3	0	0	0	109.8	G519 L521 L538 L553 V570 L597 T599 V603 W604 I611	G519-L572 PolarHBondContact O-N 3.3Å; L521-L572 HydrophobicContact CD2-CD1 4.24Å; L538-L572 HydrophobicContact CD2-CD2 4.44Å; L553-L572 HydrophobicContact CD1-CD1 4.19Å; L553-L572 HydrophobicContact CD1-CD2 4.06Å; V570-L572 HydrophobicContact CG1-CD2 3.71Å; V570-L572 HydrophobicContact CG1-CG 4.35Å; L572-L597 HydrophobicContact CD2-CB 3.93Å; L572-L597 HydrophobicContact CD2-CD1 3.81Å; L572-L597 HydrophobicContact CD2-CG 4.37Å; L572-T599 HydrophobicContact CD2-CG2 4.36Å; L572-V603 HydrophobicContact CD1-CB 4.47Å; L572-V603 HydrophobicContact CD1-CG1 3.96Å; L572-W604 HydrophobicContact CB-CZ2 4.17Å; L572-W604 HydrophobicContact CD1-CZ2 4.14Å; L572-W604 HydrophobicContact CG-CZ2 4.45Å; L572-W604 PolarHBondContact O-NE1 2.88Å; L572-I611 HydrophobicContact CD1-CD1 3.78Å
573	C	74.6	Confident	70.8	Confident	67 Å²	67	67.9 Å²	67.9	45%	0.453	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	114.2	178.9	-59	0	0	0	0	110.4	A575 L597 I598 T599	C573-A575 PolarHBondContact O-N 3.44Å; C573-L597 PolarHBondContact N-O 2.71Å; C573-I598 CarbonylContact O-C 3.6Å; C573-I598 WeakPolarHBondContact O-CA 3.29Å; C573-T599 PolarHBondContact O-N 3.42Å
574	F	70.7	Confident	68.2	Low	109 Å²	109	66.3 Å²	66.3	48%	0.478	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	129.5	170	173.4	-112.8	0	0	0	110.6	T599 V601	F574-T599 WeakPolarHBondContact CA-O 3.46Å; F574-T599 WeakPolarHBondContact CD2-O 3.27Å; F574-V601 VanDerWaalsContact CD2-C 3.44Å; F574-V601 WeakPolarHBondContact CD2-O 3.29Å
575	A	65	Low	65.3	Low	13 Å²	13	73 Å²	73	11%	0.107	42%	0.419	C	S	.	.			trans	-144.9	124.2	166.5	0	0	0	0	0	109.4	C573 E577 V581 I598 T599	C573-A575 PolarHBondContact O-N 3.44Å; A575-E577 PolarHBondContact O-N 3.14Å; A575-V581 HydrophobicContact CB-CG2 4.07Å; A575-I598 HydrophobicContact CB-CG2 3.79Å; A575-T599 PolarHBondContact N-O 3.45Å
576	S	58	Low	62.4	Low	87 Å²	87	79.4 Å²	79.4	61%	0.608	44%	0.439	S	S	*	.	S	Bend	trans	-71.4	-20	175.2	53.2	0	0	0	0	113.1
577	E	56.6	Low	59.5	Low	103 Å²	103	83.2 Å²	83.2	48%	0.481	46%	0.461	S	S	.	.	S	Bend	trans	-142	127.6	-173.2	-139.3	-173.6	-130.8	0	0	110.3	A575 S579 Q580	A575-E577 PolarHBondContact O-N 3.14Å; E577-S579 WeakPolarHBondContact CG-OG 3.48Å; E577-S579 PolarHBondContact O-N 3.44Å; E577-S579 VanDerWaalsContact O-N 3.11Å; E577-S579 PolarHBondContact OE2-OG 2.83Å; E577-Q580 HydrophobicContact CB-CG 4.21Å; E577-Q580 PolarHBondContact O-N 2.96Å; E577-Q580 VanDerWaalsContact O-N 3.08Å
578	P	51.3	Low	56.5	Low	116 Å²	116	90.2 Å²	90.2	75%	0.753	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-58.9	-26.8	-177.8	-25.9	34.9	0	0	0	114.3	Q580 V581	P578-Q580 PolarHBondContact O-N 2.72Å; P578-V581 PolarHBondContact O-N 3.46Å
579	S	51.3	Low	53.9	Low	89 Å²	89	98.3 Å²	98.3	62%	0.622	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-56.2	-26.8	174.5	13.5	0	0	0	0	114.3	E577 V581	E577-S579 WeakPolarHBondContact CG-OG 3.48Å; E577-S579 PolarHBondContact O-N 3.44Å; E577-S579 VanDerWaalsContact O-N 3.11Å; E577-S579 PolarHBondContact OE2-OG 2.83Å; S579-V581 VanDerWaalsContact C-N 3.32Å; S579-V581 PolarHBondContact O-N 2.91Å
580	Q	48.4	Very low	51.4	Low	114 Å²	114	104.2 Å²	104.2	53%	0.533	56%	0.555	S	S	.	*	G	3₁₀ helix	trans	-80.5	-13.4	-174.9	-63.1	176.8	24.7	0	0	113	E577 P578 S582	E577-Q580 HydrophobicContact CB-CG 4.21Å; E577-Q580 PolarHBondContact O-N 2.96Å; E577-Q580 VanDerWaalsContact O-N 3.08Å; P578-Q580 PolarHBondContact O-N 2.72Å; Q580-S582 PolarHBondContact O-N 3.28Å; Q580-S582 VanDerWaalsContact O-N 3.08Å
581	V	41.8	Very low	48.7	Very low	55 Å²	55	107.6 Å²	107.6	33%	0.333	58%	0.576	S	S	.	*			trans	-83.4	91.4	-172.9	-172.2	0	0	0	0	111.8	A575 P578 S579 S583 I598	A575-V581 HydrophobicContact CB-CG2 4.07Å; P578-V581 PolarHBondContact O-N 3.46Å; S579-V581 VanDerWaalsContact C-N 3.32Å; S579-V581 PolarHBondContact O-N 2.91Å; V581-S583 PolarHBondContact O-N 3.5Å; V581-I598 HydrophobicContact CB-CD1 4.37Å; V581-I598 HydrophobicContact CG1-CD1 3.88Å; V581-I598 HydrophobicContact CG1-CG1 4.23Å; V581-I598 HydrophobicContact CG2-CD1 4.01Å; V581-I598 HydrophobicContact CG2-CG1 4.07Å; V581-I598 HydrophobicContact CG2-CG2 3.86Å
582	S	40	Very low	46.9	Very low	113 Å²	113	110.2 Å²	110.2	79%	0.79	60%	0.595	S	S	*	*			trans	-70.3	88.9	176.7	-72.1	0	0	0	0	113.2	Q580 A584	Q580-S582 PolarHBondContact O-N 3.28Å; Q580-S582 VanDerWaalsContact O-N 3.08Å; S582-A584 PolarHBondContact O-N 2.9Å
583	S	37.4	Very low	45.8	Very low	114 Å²	114	112.3 Å²	112.3	80%	0.797	61%	0.613	S	S	*	*			trans	52.7	45.3	152.3	-59.2	0	0	0	0	117.5	V581 K585	V581-S583 PolarHBondContact O-N 3.5Å; S583-K585 PolarHBondContact O-N 3.4Å
584	A	36.4	Very low	45.8	Very low	75 Å²	75	111.8 Å²	111.8	62%	0.62	61%	0.608	S	S	*	*			trans	-69.9	61.1	171.5	0	0	0	0	0	113	S582	S582-A584 PolarHBondContact O-N 2.9Å
585	K	30.3	Very low	46.3	Very low	187 Å²	187	108.2 Å²	108.2	81%	0.813	59%	0.594	S	S	*	*			trans	-129.9	70.8	-172.4	-161.4	174.9	-173.9	176.2	0	112.7	S583	S583-K585 PolarHBondContact O-N 3.4Å
586	R	29.1	Very low	47	Very low	240 Å²	240	112.8 Å²	112.8	91%	0.906	61%	0.612	S	S	*	*			trans	-128.7	89.5	164.5	-73.7	-166.5	-177.9	-161.1	3	110.7	R588	R586-R588 PolarHBondContact O-N 2.99Å; R586-R588 VanDerWaalsContact O-N 3.1Å
587	V	29.3	Very low	48.2	Very low	110 Å²	110	109.5 Å²	109.5	67%	0.667	59%	0.588	S	S	*	*			trans	-66	107.7	171.4	-176.9	0	0	0	0	108.9
588	R	27	Very low	49.1	Very low	203 Å²	203	109.3 Å²	109.3	77%	0.766	59%	0.589	S	S	*	*			trans	-89.9	119.3	159.6	-71.3	-171.8	177.7	-170.6	1.4	107.1	R586 D590 V591	R586-R588 PolarHBondContact O-N 2.99Å; R586-R588 VanDerWaalsContact O-N 3.1Å; R588-D590 PolarHBondContact O-N 2.93Å; R588-D590 VanDerWaalsContact O-N 3.13Å; R588-V591 HydrophobicContact CB-CG2 4.09Å
589	H	34.5	Very low	50.2	Low	180 Å²	180	104 Å²	104	83%	0.833	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	6.5	-173.3	-65.3	86	0	0	0	114.2
590	D	36.9	Very low	51.1	Low	165 Å²	165	104.3 Å²	104.3	88%	0.882	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.1	10.5	-164.4	-122.9	-2.2	0	0	0	113	R588	R588-D590 PolarHBondContact O-N 2.93Å; R588-D590 VanDerWaalsContact O-N 3.13Å
591	V	32.5	Very low	52.2	Low	72 Å²	72	99.6 Å²	99.6	44%	0.436	53%	0.534	S	S	.	.	S	Bend	trans	-104.6	132.8	172.4	-170	0	0	0	0	108.5	R588 A593 V594	R588-V591 HydrophobicContact CB-CG2 4.09Å; V591-A593 PolarHBondContact O-N 3.23Å; V591-V594 HydrophobicContact CB-CG2 4.18Å; V591-V594 HydrophobicContact CG1-CG2 3.55Å
592	T	48.6	Very low	53.8	Low	100 Å²	100	99.3 Å²	99.3	61%	0.613	53%	0.534	S	S	*	.	S	Bend	trans	-59.5	94.8	179.8	46.7	0	0	0	0	111.4
593	A	62.2	Low	55.4	Low	46 Å²	46	94 Å²	94	38%	0.38	50%	0.497	S	S	.	.			trans	38.8	78.3	172	0	0	0	0	0	114.8	L568 Q569 V591	L568-A593 HydrophobicContact CD1-CB 3.6Å; L568-A593 WeakPolarHBondContact CD1-O 3.47Å; Q569-A593 PolarHBondContact N-O 2.84Å; V591-A593 PolarHBondContact O-N 3.23Å
594	V	74.5	Confident	57.3	Low	56 Å²	56	90.5 Å²	90.5	34%	0.339	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	126.6	167.3	-175.7	0	0	0	0	109.7	Q569 F571 V591	Q569-V594 HydrophobicContact CB-CG2 4.45Å; Q569-V594 WeakPolarHBondContact O-CA 3.28Å; F571-V594 HydrophobicContact CD2-CG1 3.76Å; F571-V594 HydrophobicContact CE2-CG1 3.71Å; V591-V594 HydrophobicContact CB-CG2 4.18Å; V591-V594 HydrophobicContact CG1-CG2 3.55Å
595	L	81.2	Confident	58.9	Low	35 Å²	35	89.4 Å²	89.4	18%	0.183	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	126.3	177.6	-168	71.5	0	0	0	109.2	Y554 Q569 V570 F571 L597	Y554-L595 HydrophobicContact CD1-CD2 3.73Å; Y554-L595 HydrophobicContact CD2-CD2 4.3Å; Y554-L595 HydrophobicContact CE1-CD1 4.36Å; Y554-L595 HydrophobicContact CE1-CD2 3.65Å; Y554-L595 HydrophobicContact CE2-CD1 4.16Å; Y554-L595 HydrophobicContact CE2-CD2 4.24Å; Y554-L595 HydrophobicContact CG-CD2 4.06Å; Q569-L595 PolarHBondContact O-N 3.46Å; V570-L595 CarbonylContact C-O 3.59Å; V570-L595 WeakPolarHBondContact CA-O 3.34Å; V570-L595 HydrophobicContact CG1-CD2 4.27Å; V570-L595 HydrophobicContact CG2-CB 4.31Å; V570-L595 HydrophobicContact CG2-CD2 4.3Å; F571-L595 PolarHBondContact N-O 2.72Å; L595-L597 HydrophobicContact CD2-CD1 4.04Å; L595-L597 HydrophobicContact CD2-CD2 3.98Å; L595-L597 HydrophobicContact CD2-CG 4.02Å; L595-L597 HydrophobicContact CG-CD2 4.03Å; L595-L597 HydrophobicContact CG-CG 4.13Å
596	H	79.1	Confident	60.3	Low	108 Å²	108	82.7 Å²	82.7	50%	0.5	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	120.4	171.2	-65.6	-77.5	0	0	0	109.1	F571	F571-H596 WeakPolarHBondContact CB-ND1 3.08Å; F571-H596 AromaticContact CD2-CE1 3.46Å; F571-H596 VanDerWaalsContact CD2-CE1 3.46Å; F571-H596 WeakPolarHBondContact CD2-CE1 3.24Å; F571-H596 AromaticContact CD2-ND1 3.69Å; F571-H596 AromaticContact CG-CE1 3.83Å; F571-H596 AromaticContact CG-ND1 3.73Å
597	L	83.2	Confident	62	Low	18 Å²	18	75.8 Å²	75.8	9%	0.094	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	133	177.7	-59.8	177.4	0	0	0	109.7	L538 L553 Y554 V570 F571 L572 C573 L595	L538-L597 HydrophobicContact CD2-CD1 4.14Å; L553-L597 HydrophobicContact CB-CD1 4.39Å; Y554-L597 HydrophobicContact CD2-CD2 3.63Å; Y554-L597 HydrophobicContact CE2-CD2 4.24Å; Y554-L597 HydrophobicContact CG-CD1 4.33Å; Y554-L597 HydrophobicContact CG-CD2 4.13Å; V570-L597 HydrophobicContact CG1-CD1 3.68Å; V570-L597 HydrophobicContact CG1-CG 4.17Å; F571-L597 PolarHBondContact O-N 3.13Å; L572-L597 HydrophobicContact CD2-CB 3.93Å; L572-L597 HydrophobicContact CD2-CD1 3.81Å; L572-L597 HydrophobicContact CD2-CG 4.37Å; C573-L597 PolarHBondContact N-O 2.71Å; L595-L597 HydrophobicContact CD2-CD1 4.04Å; L595-L597 HydrophobicContact CD2-CD2 3.98Å; L595-L597 HydrophobicContact CD2-CG 4.02Å; L595-L597 HydrophobicContact CG-CD2 4.03Å; L595-L597 HydrophobicContact CG-CG 4.13Å
598	I	76.8	Confident	63.8	Low	100 Å²	100	73.2 Å²	73.2	51%	0.513	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	117.4	175.7	-59.2	148.2	0	0	0	106.5	C573 A575 V581	C573-I598 CarbonylContact O-C 3.6Å; C573-I598 WeakPolarHBondContact O-CA 3.29Å; A575-I598 HydrophobicContact CB-CG2 3.79Å; V581-I598 HydrophobicContact CB-CD1 4.37Å; V581-I598 HydrophobicContact CG1-CD1 3.88Å; V581-I598 HydrophobicContact CG1-CG1 4.23Å; V581-I598 HydrophobicContact CG2-CD1 4.01Å; V581-I598 HydrophobicContact CG2-CG1 4.07Å; V581-I598 HydrophobicContact CG2-CG2 3.86Å
599	T	73	Confident	66.2	Low	3 Å²	3	64 Å²	64	2%	0.018	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	130.5	-173.1	66.2	0	0	0	0	111	L553 L572 C573 F574 A575 V601 V603	L553-T599 HydrophobicContact CD1-CG2 4.11Å; L553-T599 HydrophobicContact CD2-CG2 3.81Å; L553-T599 HydrophobicContact CG-CG2 4.45Å; L572-T599 HydrophobicContact CD2-CG2 4.36Å; C573-T599 PolarHBondContact O-N 3.42Å; F574-T599 WeakPolarHBondContact CA-O 3.46Å; F574-T599 WeakPolarHBondContact CD2-O 3.27Å; A575-T599 PolarHBondContact N-O 3.45Å; T599-V601 PolarHBondContact O-N 3.07Å; T599-V601 PolarHBondContact OG1-O 3.45Å; T599-V603 HydrophobicContact CG2-CG2 4.17Å
600	P	70.9	Confident	68.8	Low	96 Å²	96	57.2 Å²	57.2	62%	0.623	32%	0.323	S	S	*	.	S	Bend	trans	-78.6	-0.9	172.6	33.5	-35.4	0	0	0	112.6
601	V	71.2	Confident	71.3	Confident	16 Å²	16	49.4 Å²	49.4	10%	0.097	28%	0.281	C	S	.	.	S	Bend	trans	-113.5	138.3	177.8	-177.8	0	0	0	0	108.4	T543 V551 F574 T599 V603	T543-V601 HydrophobicContact CG2-CG1 4.01Å; T543-V601 HydrophobicContact CG2-CG2 3.81Å; V551-V601 HydrophobicContact CB-CG2 4.12Å; V551-V601 HydrophobicContact CG1-CG2 4.28Å; V551-V601 HydrophobicContact CG2-CG2 3.96Å; F574-V601 VanDerWaalsContact CD2-C 3.44Å; F574-V601 WeakPolarHBondContact CD2-O 3.29Å; T599-V601 PolarHBondContact O-N 3.07Å; T599-V601 PolarHBondContact OG1-O 3.45Å; V601-V603 PolarHBondContact O-N 3.38Å; V601-V603 VanDerWaalsContact O-N 3.12Å
602	S	74.9	Confident	74.2	Confident	48 Å²	48	46.5 Å²	46.5	34%	0.336	27%	0.265	S	S	.	.			trans	-75.7	95.2	172.7	-173.2	0	0	0	0	109.6	W604	S602-W604 PolarHBondContact O-N 3.32Å
603	V	73.9	Confident	76.4	Confident	3 Å²	3	41.8 Å²	41.8	2%	0.018	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-21.5	-176.3	-173.2	0	0	0	0	112.6	A540 L553 L572 T599 V601 S609 I611	A540-V603 HydrophobicContact CB-CB 4.47Å; A540-V603 HydrophobicContact CB-CG1 3.84Å; A540-V603 HydrophobicContact CB-CG2 3.96Å; L553-V603 HydrophobicContact CD1-CG2 4.18Å; L572-V603 HydrophobicContact CD1-CB 4.47Å; L572-V603 HydrophobicContact CD1-CG1 3.96Å; T599-V603 HydrophobicContact CG2-CG2 4.17Å; V601-V603 PolarHBondContact O-N 3.38Å; V601-V603 VanDerWaalsContact O-N 3.12Å; V603-S609 VanDerWaalsContact O-CB 3.28Å; V603-S609 WeakPolarHBondContact O-CB 3.31Å; V603-I611 HydrophobicContact CG1-CD1 3.55Å; V603-I611 HydrophobicContact CG1-CG1 3.53Å
604	W	77.5	Confident	77.9	Confident	40 Å²	40	41.6 Å²	41.6	15%	0.152	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	32.3	-171.2	-54.3	109.5	0	0	0	112.4	A514 P516 G519 L520 L572 S602 M626	A514-W604 HydrophobicContact CB-CH2 4.05Å; A514-W604 HydrophobicContact CB-CZ3 3.97Å; P516-W604 HydrophobicContact CB-CB 4.29Å; P516-W604 HydrophobicContact CB-CD2 4.12Å; P516-W604 HydrophobicContact CB-CE3 3.66Å; P516-W604 HydrophobicContact CB-CG 4.41Å; P516-W604 HydrophobicContact CB-CZ3 4.25Å; P516-W604 HydrophobicContact CG-CE3 3.66Å; P516-W604 HydrophobicContact CG-CZ3 3.93Å; G519-W604 VanDerWaalsContact C-CZ2 3.46Å; L520-W604 WeakPolarHBondContact O-CH2 3.29Å; L572-W604 HydrophobicContact CB-CZ2 4.17Å; L572-W604 HydrophobicContact CD1-CZ2 4.14Å; L572-W604 HydrophobicContact CG-CZ2 4.45Å; L572-W604 PolarHBondContact O-NE1 2.88Å; S602-W604 PolarHBondContact O-N 3.32Å; W604-M626 HydrophobicContact CE3-CE 3.54Å; W604-M626 HydrophobicContact CE3-SD 3.62Å; W604-M626 HydrophobicContact CH2-CE 4.19Å; W604-M626 HydrophobicContact CZ3-CE 3.31Å; W604-M626 HydrophobicContact CZ3-SD 3.98Å
605	N	70.4	Confident	78.7	Confident	51 Å²	51	39.9 Å²	39.9	27%	0.273	22%	0.216	S	C	.	.			trans	-85.6	135.9	-172.3	-159.1	21.6	0	0	0	111.3	Y607 S609	N605-Y607 VanDerWaalsContact C-N 3.25Å; N605-Y607 PolarHBondContact O-N 2.87Å; N605-S609 PolarHBondContact O-OG 3.07Å
606	P	60	Low	79.1	Confident	46 Å²	46	41.8 Å²	41.8	30%	0.299	23%	0.233	S	C	.	.	S	Bend	trans	-66	-23.2	-175.8	-22.7	34.2	0	0	0	115	L499 S608 S628	L499-P606 HydrophobicContact CD1-CB 4.34Å; P606-S608 PolarHBondContact O-N 2.89Å; P606-S628 VanDerWaalsContact O-CB 3.24Å; P606-S628 WeakPolarHBondContact O-CB 3.09Å; P606-S628 PolarHBondContact O-N 3.1Å
607	Y	63.8	Low	79.7	Confident	95 Å²	95	41.9 Å²	41.9	37%	0.373	24%	0.241	S	C	.	.	S	Bend	trans	-80.2	45.5	-171.5	-56.3	-82.6	0	0	0	113.9	E545 N605 Y630	E545-Y607 WeakPolarHBondContact OE1-CD1 3.31Å; N605-Y607 VanDerWaalsContact C-N 3.25Å; N605-Y607 PolarHBondContact O-N 2.87Å; Y607-Y630 HydrophobicContact CE1-CE2 4.46Å; Y607-Y630 WeakPolarHBondContact CE1-OH 3.33Å
608	S	67.2	Low	80	Confident	57 Å²	57	42.8 Å²	42.8	40%	0.399	26%	0.255	S	S	.	.			trans	66.5	129.5	-165.5	75.8	0	0	0	0	114.5	P606 M626	P606-S608 PolarHBondContact O-N 2.89Å; S608-M626 VanDerWaalsContact CA-O 3.3Å; S608-M626 WeakPolarHBondContact CA-O 3.16Å
609	S	78.3	Confident	80.7	Confident	9 Å²	9	40.7 Å²	40.7	6%	0.063	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	137.2	170.7	-73.2	0	0	0	0	110.1	V603 N605 M626	V603-S609 VanDerWaalsContact O-CB 3.28Å; V603-S609 WeakPolarHBondContact O-CB 3.31Å; N605-S609 PolarHBondContact O-OG 3.07Å; S609-M626 PolarHBondContact N-O 3.38Å; S609-M626 WeakPolarHBondContact O-CB 3.01Å; S609-M626 PolarHBondContact O-N 3.45Å
610	L	87.8	Confident	81.7	Confident	38 Å²	38	43.9 Å²	43.9	20%	0.199	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	117.6	-176.2	-177.4	70.9	0	0	0	109.7	A540 G541 Y550 T623 C624 E625	A540-L610 WeakPolarHBondContact CA-O 3.46Å; G541-L610 PolarHBondContact N-O 2.74Å; G541-L610 VanDerWaalsContact N-O 3.08Å; G541-L610 WeakPolarHBondContact O-CA 3.44Å; G541-L610 WeakPolarHBondContact O-CB 3.3Å; G541-L610 PolarHBondContact O-N 3.31Å; Y550-L610 HydrophobicContact CE1-CB 4.16Å; Y550-L610 HydrophobicContact CE1-CD2 3.87Å; Y550-L610 HydrophobicContact CE1-CG 4.33Å; Y550-L610 WeakPolarHBondContact OH-CD2 3.44Å; L610-T623 HydrophobicContact CD1-CG2 4.35Å; L610-C624 WeakPolarHBondContact CA-O 3.4Å; L610-E625 HydrophobicContact CD1-CB 4Å; L610-E625 HydrophobicContact CD1-CG 3.57Å
611	I	91	Very high	82.7	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	131.7	166.2	-50.9	177.7	0	0	0	108.2	F511 L521 L538 Y539 L572 V603 T623 C624 M626	F511-I611 HydrophobicContact CZ-CG2 4.06Å; L521-I611 HydrophobicContact CD1-CD1 4.17Å; L521-I611 HydrophobicContact CD2-CD1 4.02Å; L521-I611 HydrophobicContact CD2-CG2 3.91Å; L538-I611 HydrophobicContact CD1-CG2 3.64Å; L538-I611 HydrophobicContact CG-CG2 4.23Å; Y539-I611 WeakPolarHBondContact O-CA 3.12Å; Y539-I611 WeakPolarHBondContact O-CG2 3.32Å; L572-I611 HydrophobicContact CD1-CD1 3.78Å; V603-I611 HydrophobicContact CG1-CD1 3.55Å; V603-I611 HydrophobicContact CG1-CG1 3.53Å; I611-T623 CarbonylContact O-C 3.57Å; I611-T623 VanDerWaalsContact O-CA 3.28Å; I611-T623 WeakPolarHBondContact O-CA 3.5Å; I611-C624 HydrophobicContact CB-CB 4.25Å; I611-C624 PolarHBondContact N-O 2.91Å; I611-C624 PolarHBondContact O-N 3.27Å; I611-M626 HydrophobicContact CD1-CE 3.57Å; I611-M626 HydrophobicContact CG1-CE 4Å
612	A	92.4	Very high	83.8	Confident	11 Å²	11	41.1 Å²	41.1	9%	0.091	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	133	179.5	0	0	0	0	0	111.7	Y539 V620 A622 T623	Y539-A612 PolarHBondContact N-O 3.45Å; Y539-A612 PolarHBondContact O-N 3.34Å; A612-V620 HydrophobicContact CB-CG1 4.3Å; A612-A622 WeakPolarHBondContact CA-O 3.08Å; A612-T623 HydrophobicContact CB-CG2 4.33Å
613	L	94.6	Very high	84.6	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.01	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	116.2	172.4	-176.8	64.9	0	0	0	109	V509 F511 I523 W536 H537 L538 F556 V620 R621 A622	V509-L613 HydrophobicContact CG1-CD2 3.63Å; F511-L613 HydrophobicContact CE2-CB 4.48Å; F511-L613 HydrophobicContact CZ-CB 3.86Å; I523-L613 HydrophobicContact CG2-CD2 4.26Å; W536-L613 HydrophobicContact CE3-CD1 4.11Å; W536-L613 HydrophobicContact CE3-CD2 3.98Å; W536-L613 HydrophobicContact CE3-CG 3.85Å; W536-L613 HydrophobicContact CZ3-CD2 3.87Å; W536-L613 HydrophobicContact CZ3-CG 4.14Å; H537-L613 WeakPolarHBondContact O-CA 3.47Å; L538-L613 HydrophobicContact CD1-CD1 4.39Å; F556-L613 HydrophobicContact CE2-CD1 3.8Å; L613-V620 CarbonylContact O-C 3.57Å; L613-R621 PolarHBondContact O-N 2.96Å; L613-A622 HydrophobicContact CB-CB 4.19Å; L613-A622 PolarHBondContact N-O 3.48Å; L613-A622 PolarHBondContact O-N 2.94Å
614	Q	94.1	Very high	85.4	Confident	42 Å²	42	39.8 Å²	39.8	20%	0.196	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	139	-178.5	-173.5	-177.6	51.8	0	0	110.1	W536 H537 Y539 G618 S619	W536-Q614 CarbonylContact C-O 3.58Å; W536-Q614 VanDerWaalsContact CA-O 3.29Å; W536-Q614 WeakPolarHBondContact CA-O 3.45Å; W536-Q614 WeakPolarHBondContact CB-O 3.43Å; H537-Q614 HydrophobicContact CB-CB 4.31Å; H537-Q614 PolarHBondContact N-O 3.16Å; H537-Q614 PolarHBondContact O-N 3.07Å; Y539-Q614 HydrophobicContact CD2-CB 4.36Å; Y539-Q614 HydrophobicContact CE2-CB 3.95Å; Y539-Q614 PolarHBondContact OH-OE1 2.65Å; Q614-G618 VanDerWaalsContact CG-C 3.48Å; Q614-G618 WeakPolarHBondContact CG-O 2.98Å; Q614-G618 PolarHBondContact NE2-O 2.97Å; Q614-S619 CarbonylContact C-O 3.58Å; Q614-S619 WeakPolarHBondContact CA-O 3.45Å
615	D	92.4	Very high	85.9	Confident	19 Å²	19	39.7 Å²	39.7	10%	0.102	24%	0.235	C	C	.	.			trans	-79.2	-176.1	175.3	70.4	20.6	0	0	0	113.4	W536 T617 G618 S619 R621	W536-D615 HydrophobicContact CD2-CB 3.99Å; W536-D615 HydrophobicContact CG-CB 4.35Å; W536-D615 HydrophobicContact CZ2-CB 4.07Å; D615-T617 VanDerWaalsContact C-N 3.26Å; D615-T617 VanDerWaalsContact CG-OG1 3.31Å; D615-T617 PolarHBondContact O-N 3.25Å; D615-T617 VanDerWaalsContact OD1-CA 3.31Å; D615-T617 WeakPolarHBondContact OD1-CA 3.1Å; D615-T617 WeakPolarHBondContact OD1-CB 3.26Å; D615-T617 PolarHBondContact OD1-N 3.15Å; D615-T617 PolarHBondContact OD1-OG1 2.94Å; D615-T617 PolarHBondContact OD2-OG1 3.47Å; D615-G618 PolarHBondContact O-N 3.37Å; D615-G618 PolarHBondContact OD1-N 3.16Å; D615-S619 PolarHBondContact N-O 2.96Å; D615-S619 PolarHBondContact OD1-N 3.03Å; D615-S619 WeakPolarHBondContact OD2-CB 3.5Å; D615-R621 HydrophobicContact CB-CG 3.77Å; D615-R621 WeakPolarHBondContact OD2-CD 3.12Å
616	S	89.4	Confident	86.6	Confident	76 Å²	76	37.4 Å²	37.4	53%	0.531	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-13	177.1	55.9	0	0	0	0	114.9	S534	S534-S616 WeakPolarHBondContact O-CB 2.98Å
617	T	91.1	Very high	87.5	Confident	110 Å²	110	39.8 Å²	39.8	68%	0.675	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-20	174.9	76	0	0	0	0	112.6	D615 S619	D615-T617 VanDerWaalsContact C-N 3.26Å; D615-T617 VanDerWaalsContact CG-OG1 3.31Å; D615-T617 PolarHBondContact O-N 3.25Å; D615-T617 VanDerWaalsContact OD1-CA 3.31Å; D615-T617 WeakPolarHBondContact OD1-CA 3.1Å; D615-T617 WeakPolarHBondContact OD1-CB 3.26Å; D615-T617 PolarHBondContact OD1-N 3.15Å; D615-T617 PolarHBondContact OD1-OG1 2.94Å; D615-T617 PolarHBondContact OD2-OG1 3.47Å; T617-S619 PolarHBondContact OG1-N 2.86Å; T617-S619 PolarHBondContact OG1-OG 3.43Å; T617-S619 VanDerWaalsContact OG1-OG 3.07Å
618	G	88.9	Confident	87.9	Confident	37 Å²	37	36.3 Å²	36.3	38%	0.381	22%	0.219	S	C	.	.	S	Bend	trans	103.2	1.5	-172.4	0	0	0	0	0	114.2	Q614 D615	Q614-G618 VanDerWaalsContact CG-C 3.48Å; Q614-G618 WeakPolarHBondContact CG-O 2.98Å; Q614-G618 PolarHBondContact NE2-O 2.97Å; D615-G618 PolarHBondContact O-N 3.37Å; D615-G618 PolarHBondContact OD1-N 3.16Å
619	S	92.9	Very high	87.7	Confident	55 Å²	55	36 Å²	36	39%	0.385	22%	0.216	S	C	.	.			trans	-80.8	136.7	178.7	-55.8	0	0	0	0	111.1	Q614 D615 T617 R621	Q614-S619 CarbonylContact C-O 3.58Å; Q614-S619 WeakPolarHBondContact CA-O 3.45Å; D615-S619 PolarHBondContact N-O 2.96Å; D615-S619 PolarHBondContact OD1-N 3.03Å; D615-S619 WeakPolarHBondContact OD2-CB 3.5Å; T617-S619 PolarHBondContact OG1-N 2.86Å; T617-S619 PolarHBondContact OG1-OG 3.43Å; T617-S619 VanDerWaalsContact OG1-OG 3.07Å; S619-R621 PolarHBondContact O-N 3.17Å
620	V	92.6	Very high	86.8	Confident	70 Å²	70	40.6 Å²	40.6	42%	0.424	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	118.1	176.6	-179.1	0	0	0	0	109.3	A612 L613 T623	A612-V620 HydrophobicContact CB-CG1 4.3Å; L613-V620 CarbonylContact O-C 3.57Å; V620-T623 HydrophobicContact CG1-CG2 3.62Å
621	R	92.1	Very high	84.7	Confident	52 Å²	52	50.2 Å²	50.2	20%	0.196	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-28.1	-177.1	-53.2	-52.6	-57.9	169.7	9.7	113.1	A505 D506 W536 L613 D615 S619	A505-R621 CarbonylContact C-O 3.57Å; A505-R621 WeakPolarHBondContact CA-O 3.41Å; D506-R621 VanDerWaalsContact C-NH2 3.33Å; D506-R621 PolarHBondContact N-O 3.24Å; D506-R621 VanDerWaalsContact O-CZ 3.25Å; D506-R621 PolarHBondContact O-NE 3.4Å; D506-R621 PolarHBondContact O-NH2 3.37Å; D506-R621 IonicContact OD1-NH2 3.11Å; D506-R621 IonicContact OD2-CZ 3.87Å; D506-R621 IonicContact OD2-NE 2.69Å; D506-R621 IonicContact OD2-NH1 3.03Å; D506-R621 PolarHBondContact OD2-NH1 2.88Å; D506-R621 IonicContact OD2-NH2 3.94Å; D506-R621 PolarHBondContact OD2-NH2 3.43Å; D506-R621 VanDerWaalsContact OD2-NH2 3.13Å; W536-R621 HydrophobicContact CE3-CG 4.38Å; W536-R621 HydrophobicContact CH2-CB 4.21Å; W536-R621 HydrophobicContact CH2-CG 3.77Å; W536-R621 HydrophobicContact CZ2-CG 4.42Å; W536-R621 HydrophobicContact CZ3-CB 3.9Å; W536-R621 HydrophobicContact CZ3-CG 3.73Å; L613-R621 PolarHBondContact O-N 2.96Å; D615-R621 HydrophobicContact CB-CG 3.77Å; D615-R621 WeakPolarHBondContact OD2-CD 3.12Å; S619-R621 PolarHBondContact O-N 3.17Å
622	A	93.6	Very high	82.5	Confident	2 Å²	2	58.8 Å²	58.8	2%	0.017	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	149.5	173	0	0	0	0	0	111.7	R504 A505 F511 A612 L613	R504-A622 CarbonylContact O-C 3.6Å; R504-A622 VanDerWaalsContact O-CA 3.3Å; R504-A622 WeakPolarHBondContact O-CA 2.93Å; A505-A622 HydrophobicContact CB-CB 4.48Å; F511-A622 HydrophobicContact CD2-CB 3.74Å; F511-A622 HydrophobicContact CE2-CB 3.65Å; F511-A622 HydrophobicContact CG-CB 4.45Å; F511-A622 HydrophobicContact CZ-CB 4.28Å; A612-A622 WeakPolarHBondContact CA-O 3.08Å; L613-A622 HydrophobicContact CB-CB 4.19Å; L613-A622 PolarHBondContact N-O 3.48Å; L613-A622 PolarHBondContact O-N 2.94Å
623	T	92.5	Very high	80.3	Confident	23 Å²	23	64 Å²	64	14%	0.141	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	148.3	170	60.8	0	0	0	0	111.6	C503 R504 L610 I611 A612 V620	C503-T623 CarbonylContact C-O 3.58Å; C503-T623 WeakPolarHBondContact CA-O 3.36Å; R504-T623 PolarHBondContact N-O 3.34Å; R504-T623 PolarHBondContact O-N 2.83Å; L610-T623 HydrophobicContact CD1-CG2 4.35Å; I611-T623 CarbonylContact O-C 3.57Å; I611-T623 VanDerWaalsContact O-CA 3.28Å; I611-T623 WeakPolarHBondContact O-CA 3.5Å; A612-T623 HydrophobicContact CB-CG2 4.33Å; V620-T623 HydrophobicContact CG1-CG2 3.62Å
624	C	91.1	Very high	77.7	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	106.6	170.6	178.5	0	0	0	0	108	I501 F511 A514 L610 I611	I501-C624 VanDerWaalsContact CG2-SG 3.53Å; F511-C624 HydrophobicContact CD2-CB 3.75Å; F511-C624 HydrophobicContact CE2-CB 4.1Å; F511-C624 HydrophobicContact CG-CB 4.33Å; A514-C624 WeakPolarHBondContact CB-SG 3.39Å; L610-C624 WeakPolarHBondContact CA-O 3.4Å; I611-C624 HydrophobicContact CB-CB 4.25Å; I611-C624 PolarHBondContact N-O 2.91Å; I611-C624 PolarHBondContact O-N 3.27Å
625	E	88.2	Confident	74.9	Confident	39 Å²	39	80.2 Å²	80.2	18%	0.182	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	124.3	-173.6	-34.5	175	135.4	0	0	108.7	I501 T502 R504 L610	I501-E625 CarbonylContact C-O 3.57Å; I501-E625 WeakPolarHBondContact CA-O 3.38Å; T502-E625 WeakPolarHBondContact CG2-OE2 3.41Å; T502-E625 PolarHBondContact N-O 3.37Å; T502-E625 PolarHBondContact O-N 3.25Å; R504-E625 IonicContact CZ-OE1 3.15Å; R504-E625 IonicContact CZ-OE2 2.63Å; R504-E625 IonicContact NE-OE1 2.72Å; R504-E625 PolarHBondContact NE-OE1 2.98Å; R504-E625 IonicContact NE-OE2 3Å; R504-E625 PolarHBondContact NE-OE2 3.48Å; R504-E625 IonicContact NH1-OE1 3.64Å; R504-E625 VanDerWaalsContact NH2-CD 3.33Å; R504-E625 IonicContact NH2-OE1 3.84Å; R504-E625 PolarHBondContact NH2-OE1 3.45Å; R504-E625 VanDerWaalsContact NH2-OE1 3.17Å; R504-E625 IonicContact NH2-OE2 2.62Å; R504-E625 PolarHBondContact NH2-OE2 2.9Å; L610-E625 HydrophobicContact CD1-CB 4Å; L610-E625 HydrophobicContact CD1-CG 3.57Å
626	M	84.9	Confident	72.1	Confident	2 Å²	2	86.3 Å²	86.3	1%	0.01	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	125.4	-176.7	-55.1	177.7	-165.4	0	0	109.9	L499 R500 I501 A514 W604 S608 S609 I611	L499-M626 HydrophobicContact CD1-CB 4.47Å; R500-M626 CarbonylContact O-C 3.56Å; R500-M626 WeakPolarHBondContact O-CA 3.32Å; I501-M626 HydrophobicContact CG1-CG 4.46Å; A514-M626 HydrophobicContact CB-CE 4.27Å; W604-M626 HydrophobicContact CE3-CE 3.54Å; W604-M626 HydrophobicContact CE3-SD 3.62Å; W604-M626 HydrophobicContact CH2-CE 4.19Å; W604-M626 HydrophobicContact CZ3-CE 3.31Å; W604-M626 HydrophobicContact CZ3-SD 3.98Å; S608-M626 VanDerWaalsContact CA-O 3.3Å; S608-M626 WeakPolarHBondContact CA-O 3.16Å; S609-M626 PolarHBondContact N-O 3.38Å; S609-M626 WeakPolarHBondContact O-CB 3.01Å; S609-M626 PolarHBondContact O-N 3.45Å; I611-M626 HydrophobicContact CD1-CE 3.57Å; I611-M626 HydrophobicContact CG1-CE 4Å
627	E	78.6	Confident	69.4	Low	97 Å²	97	87 Å²	87	45%	0.453	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	126.9	-173.5	-61.5	-179.9	149.9	0	0	111.5	R500 C629	R500-E627 HydrophobicContact CB-CB 4.47Å; R500-E627 PolarHBondContact N-O 2.93Å; R500-E627 PolarHBondContact O-N 2.62Å; E627-C629 PolarHBondContact O-N 3.48Å
628	S	72.6	Confident	66.5	Low	21 Å²	21	88.2 Å²	88.2	15%	0.147	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	121	168.1	-174.6	0	0	0	0	111.4	P606 Y630	P606-S628 VanDerWaalsContact O-CB 3.24Å; P606-S628 WeakPolarHBondContact O-CB 3.09Å; P606-S628 PolarHBondContact O-N 3.1Å; S628-Y630 VanDerWaalsContact C-N 3.26Å; S628-Y630 PolarHBondContact O-N 2.84Å; S628-Y630 WeakPolarHBondContact OG-CE2 3.47Å; S628-Y630 VanDerWaalsContact OG-CZ 3.28Å
629	C	62.8	Low	63.9	Low	50 Å²	50	90.1 Å²	90.1	34%	0.338	46%	0.46	S	S	.	.			trans	-83.5	62.7	178.6	-71.2	0	0	0	0	112.5	S498 R500 E627 R631	S498-C629 VanDerWaalsContact O-CB 3.31Å; S498-C629 WeakPolarHBondContact O-CB 2.98Å; S498-C629 PolarHBondContact O-N 3.27Å; R500-C629 VanDerWaalsContact CB-SG 3.59Å; R500-C629 PolarHBondContact NE-SG 2.78Å; R500-C629 VanDerWaalsContact NE-SG 3.44Å; E627-C629 PolarHBondContact O-N 3.48Å; C629-R631 PolarHBondContact O-N 2.85Å
630	Y	58.6	Low	61.1	Low	106 Å²	106	95 Å²	95	42%	0.416	48%	0.482	S	S	.	.			trans	-57.4	106.3	172.4	-66.9	-60.9	0	0	0	111.5	D497 Y607 S628 K632	D497-Y630 VanDerWaalsContact CG-CE1 3.49Å; D497-Y630 WeakPolarHBondContact OD1-CD1 3.47Å; D497-Y630 WeakPolarHBondContact OD1-CE1 3.41Å; D497-Y630 WeakPolarHBondContact OD2-CE1 3.18Å; Y607-Y630 HydrophobicContact CE1-CE2 4.46Å; Y607-Y630 WeakPolarHBondContact CE1-OH 3.33Å; S628-Y630 VanDerWaalsContact C-N 3.26Å; S628-Y630 PolarHBondContact O-N 2.84Å; S628-Y630 WeakPolarHBondContact OG-CE2 3.47Å; S628-Y630 VanDerWaalsContact OG-CZ 3.28Å; Y630-K632 VanDerWaalsContact C-N 3.34Å; Y630-K632 PolarHBondContact O-N 2.88Å
631	R	44.8	Very low	58.2	Low	241 Å²	241	98.2 Å²	98.2	91%	0.909	50%	0.501	S	S	*	.			trans	-70.8	89.8	171.9	-166.8	-163.9	-58.3	-167.7	3.7	109	C629	C629-R631 PolarHBondContact O-N 2.85Å
632	K	45.2	Very low	55.6	Low	180 Å²	180	101.3 Å²	101.3	78%	0.783	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-51.5	126.1	173.2	-73.8	-177.8	178.1	175.4	0	109.1	Y630 E634	Y630-K632 VanDerWaalsContact C-N 3.34Å; Y630-K632 PolarHBondContact O-N 2.88Å; K632-E634 PolarHBondContact O-N 3.46Å
633	P	44.4	Very low	52.8	Low	120 Å²	120	105 Å²	105	78%	0.779	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-66.1	120	176.1	26.4	-32.8	0	0	0	108.8	K635	P633-K635 PolarHBondContact O-N 2.82Å
634	E	40	Very low	50.2	Low	176 Å²	176	110.1 Å²	110.1	82%	0.822	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-64.7	127.9	176	-65.1	-173.2	144.7	0	0	109.3	K632 I636	K632-E634 PolarHBondContact O-N 3.46Å; E634-I636 VanDerWaalsContact C-N 3.26Å; E634-I636 PolarHBondContact O-N 3.21Å
635	K	36.1	Very low	47.6	Very low	209 Å²	209	116.8 Å²	116.8	91%	0.909	62%	0.623	S	S	*	*			trans	-73.9	84.7	172.1	-73.4	-171.6	177	-174.5	0	108.9	P633 S637	P633-K635 PolarHBondContact O-N 2.82Å; K635-S637 PolarHBondContact O-N 3.06Å
636	I	34.7	Very low	45	Very low	147 Å²	147	122.6 Å²	122.6	75%	0.754	66%	0.655	S	S	*	*			trans	-57.2	121.9	166.7	-60.6	174.9	0	0	0	107.3	E634 T638	E634-I636 VanDerWaalsContact C-N 3.26Å; E634-I636 PolarHBondContact O-N 3.21Å; I636-T638 PolarHBondContact O-N 2.74Å
637	S	31.2	Very low	42.8	Very low	90 Å²	90	131.5 Å²	131.5	63%	0.629	70%	0.697	S	S	*	*			trans	-67.7	113.4	-179.4	-173.3	0	0	0	0	109.6	K635 S639	K635-S637 PolarHBondContact O-N 3.06Å; S637-S639 PolarHBondContact O-N 3.1Å; S637-S639 PolarHBondContact OG-OG 2.68Å
638	T	31.1	Very low	40.7	Very low	136 Å²	136	135.1 Å²	135.1	83%	0.834	71%	0.714	S	S	*	*			trans	-76.2	74.7	173.8	52.6	0	0	0	0	109.6	I636	I636-T638 PolarHBondContact O-N 2.74Å
639	S	34.6	Very low	38.8	Very low	77 Å²	77	141.4 Å²	141.4	54%	0.538	75%	0.746	S	S	.	*			trans	-146.5	42.4	-173.2	62.9	0	0	0	0	112.7	S637	S637-S639 PolarHBondContact O-N 3.1Å; S637-S639 PolarHBondContact OG-OG 2.68Å
640	D	33.4	Very low	37.5	Very low	157 Å²	157	144.9 Å²	144.9	84%	0.84	77%	0.771	S	S	*	*			trans	-155.6	61	165.4	-91.1	-40.7	0	0	0	109.2
641	V	31.8	Very low	36.3	Very low	137 Å²	137	145.4 Å²	145.4	83%	0.83	79%	0.79	S	S	*	*			trans	-103.4	81.2	169.5	-176.1	0	0	0	0	107.8	A643	V641-A643 PolarHBondContact O-N 2.83Å
642	V	36.7	Very low	35.9	Very low	118 Å²	118	139 Å²	139	72%	0.715	78%	0.782	S	S	*	*			trans	-77.3	110.5	165.3	178	0	0	0	0	106.8	V644	V642-V644 HydrophobicContact CG1-CG2 4.36Å; V642-V644 PolarHBondContact O-N 2.77Å
643	A	34.5	Very low	35.3	Very low	80 Å²	80	138.3 Å²	138.3	66%	0.661	79%	0.787	S	S	*	*			trans	-63.3	129.3	166.9	0	0	0	0	0	108.7	V641	V641-A643 PolarHBondContact O-N 2.83Å
644	V	38.9	Very low	35	Very low	129 Å²	129	141.4 Å²	141.4	78%	0.782	79%	0.788	S	S	*	*			trans	-121.1	120.9	165.2	178.7	0	0	0	0	104.2	V642	V642-V644 HydrophobicContact CG1-CG2 4.36Å; V642-V644 PolarHBondContact O-N 2.77Å
645	D	37.5	Very low	34.5	Very low	141 Å²	141	138.3 Å²	138.3	75%	0.754	79%	0.793	S	S	*	*			trans	-66.9	151.8	-164.1	-56.4	-82.4	0	0	0	113.5	E647	D645-E647 PolarHBondContact O-N 3.35Å
646	D	32.4	Very low	34.5	Very low	161 Å²	161	133.2 Å²	133.2	86%	0.861	78%	0.783	S	S	*	*			trans	-70.6	106.6	176.2	-59	-79	0	0	0	110.7
647	E	39.3	Very low	34.6	Very low	189 Å²	189	131.8 Å²	131.8	88%	0.883	79%	0.786	S	S	*	*			trans	-95.7	116.7	166.2	-78.4	-76.8	-176.1	0	0	109.4	D645	D645-E647 PolarHBondContact O-N 3.35Å
648	E	34.5	Very low	34.9	Very low	172 Å²	172	134.3 Å²	134.3	80%	0.804	80%	0.798	S	S	*	*			trans	-82.6	166.3	-174.9	-64.5	-172.2	128.5	0	0	113.4
649	D	32.1	Very low	35.2	Very low	154 Å²	154	131.1 Å²	131.1	82%	0.824	79%	0.791	S	S	*	*			trans	48.8	108.4	157.5	-76.7	-8.6	0	0	0	120.4
650	S	35.7	Very low	35.1	Very low	122 Å²	122	131.9 Å²	131.9	85%	0.853	80%	0.797	S	S	*	*				-168.2	132	101.9	35.5	0	0	0	0	113.7
651	S	33.1	Very low	35.3	Very low	117 Å²	117	130.4 Å²	130.4	82%	0.818	79%	0.789	S	S	*	*			trans	-80.6	135.1	172.4	57.1	0	0	0	0	111.9
652	S	37	Very low	35.8	Very low	107 Å²	107	131.7 Å²	131.7	75%	0.748	79%	0.791	S	S	*	*			trans	-148.4	106.8	156.8	58.2	0	0	0	0	112.4	K654	S652-K654 PolarHBondContact O-N 3.04Å
653	D	32	Very low	35.8	Very low	165 Å²	165	133 Å²	133	88%	0.882	79%	0.794	S	S	*	*			trans	-67.6	119.4	172.1	-74.1	-59.8	0	0	0	110.7
654	K	37.6	Very low	35.9	Very low	186 Å²	186	138.4 Å²	138.4	81%	0.809	80%	0.803	S	S	*	*			trans	-125.2	74.4	167.2	-85.3	-171.3	174.1	176.7	0	111.5	S652 S656	S652-K654 PolarHBondContact O-N 3.04Å; K654-S656 PolarHBondContact O-N 3.45Å
655	A	29.6	Very low	35.7	Very low	111 Å²	111	137.7 Å²	137.7	92%	0.917	80%	0.799	S	S	*	*			trans	-70.6	103.8	159	0	0	0	0	0	109.3
656	S	37.1	Very low	35.7	Very low	101 Å²	101	135.6 Å²	135.6	71%	0.706	80%	0.795	S	S	*	*			trans	-135.8	103.8	176.6	62.6	0	0	0	0	112.8	K654	K654-S656 PolarHBondContact O-N 3.45Å
657	S	35.8	Very low	35.8	Very low	117 Å²	117	134.2 Å²	134.2	82%	0.818	79%	0.788	S	S	*	*			trans	43.7	96.2	152.9	-156.2	0	0	0	0	117.9	G659	S657-G659 PolarHBondContact O-N 3.49Å
658	V	38.5	Very low	35.8	Very low	144 Å²	144	132.1 Å²	132.1	87%	0.873	78%	0.783	S	S	*	*			trans	-62.4	128.6	153.2	176.7	0	0	0	0	107.9
659	G	37.1	Very low	35.7	Very low	68 Å²	68	131.2 Å²	131.2	70%	0.701	78%	0.784	S	S	*	*			trans	-72.6	137.4	179.3	0	0	0	0	0	112.4	S657	S657-G659 PolarHBondContact O-N 3.49Å
660	S	33.3	Very low	35.9	Very low	93 Å²	93	129.6 Å²	129.6	65%	0.65	78%	0.782	S	S	*	*			trans	-87.8	178.5	170.7	51.6	0	0	0	0	111.9
661	D	36.1	Very low	35.9	Very low	126 Å²	126	133 Å²	133	67%	0.674	78%	0.784	S	S	*	*			trans	70.6	102.6	156.3	-44.9	-45.1	0	0	0	118.1
662	N	42.4	Very low	35.7	Very low	164 Å²	164	136.2 Å²	136.2	88%	0.877	79%	0.786	S	S	*	*			trans	-158.6	66.5	138.9	-100.6	-63.1	0	0	0	109.4	F664	N662-F664 PolarHBondContact O-N 3.19Å
663	D	37.3	Very low	35.6	Very low	147 Å²	147	140.7 Å²	140.7	79%	0.786	79%	0.792	S	S	*	*			trans	-66.1	124.7	166.6	-83.2	-40.8	0	0	0	109.8
664	F	36.8	Very low	35.6	Very low	193 Å²	193	138.5 Å²	138.5	85%	0.846	79%	0.785	S	S	*	*			trans	-123.7	69.8	172.2	-141.7	-84.7	0	0	0	111.3	N662 S666	N662-F664 PolarHBondContact O-N 3.19Å; F664-S666 PolarHBondContact O-N 2.8Å
665	T	35	Very low	35.4	Very low	113 Å²	113	135.1 Å²	135.1	69%	0.693	78%	0.779	S	S	*	*			trans	-66.9	110	176.9	53.3	0	0	0	0	111.2
666	S	36.4	Very low	35.5	Very low	97 Å²	97	137.9 Å²	137.9	68%	0.678	77%	0.773	S	S	*	*			trans	-107.9	93.7	170.9	-169.9	0	0	0	0	109.9	F664	F664-S666 PolarHBondContact O-N 2.8Å
667	N	35.2	Very low	35.4	Very low	132 Å²	132	139.5 Å²	139.5	71%	0.706	77%	0.774	S	S	*	*			trans	-73.7	131.1	179.2	-65.4	-24.5	0	0	0	110.8
668	N	38.8	Very low	35.3	Very low	145 Å²	145	140.2 Å²	140.2	78%	0.775	77%	0.769	S	S	*	*			trans	-150	79.1	165.3	-90.1	-62.9	0	0	0	109.9	P670	N668-P670 WeakPolarHBondContact O-CD 3.44Å
669	D	33.4	Very low	35.1	Very low	154 Å²	154	141.4 Å²	141.4	82%	0.824	77%	0.769	S	S	*	*			trans	-90.1	109.4	172.5	-79	-51.1	0	0	0	111.3
670	P	37	Very low	35.1	Very low	120 Å²	120	147.1 Å²	147.1	78%	0.779	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-80.6	137.7	164.1	32.5	-32.4	0	0	0	110.6	N668	N668-P670 WeakPolarHBondContact O-CD 3.44Å
671	Q	34.4	Very low	35.2	Very low	194 Å²	194	152.1 Å²	152.1	91%	0.907	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-62.9	148.2	-163.9	-65.5	-176.5	-34.7	0	0	116.1
672	Q	29.4	Very low	35	Very low	183 Å²	183	151 Å²	151	86%	0.855	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-55	140.7	166	-64.1	169.1	-22.4	0	0	112
673	K	35.6	Very low	34.6	Very low	202 Å²	202	149.7 Å²	149.7	88%	0.878	78%	0.784	S	S	*	*			trans	-129.6	98.2	158.7	-109.4	-176.9	177.6	178.6	0	110.1	V675	K673-V675 PolarHBondContact O-N 3.14Å
674	T	30.4	Very low	34.4	Very low	118 Å²	118	148.4 Å²	148.4	72%	0.724	78%	0.782	S	S	*	*			trans	-68.4	125.9	176.2	-43.7	0	0	0	0	110.2	E676	T674-E676 HydrophobicContact CG2-CG 4.15Å
675	V	34.2	Very low	34.2	Very low	115 Å²	115	147.8 Å²	147.8	70%	0.697	78%	0.779	S	S	*	*			trans	-127.1	105.3	168.4	-179.4	0	0	0	0	107.5	K673 D677	K673-V675 PolarHBondContact O-N 3.14Å; V675-D677 PolarHBondContact O-N 2.82Å; V675-D677 VanDerWaalsContact O-N 3.09Å
676	E	30.8	Very low	34	Very low	170 Å²	170	148.4 Å²	148.4	79%	0.794	78%	0.782	S	S	*	*			trans	-81.9	76.2	-179.6	-64.5	-172.9	127.4	0	0	111.1	T674 N678	T674-E676 HydrophobicContact CG2-CG 4.15Å; E676-N678 PolarHBondContact O-ND2 3.27Å; E676-N678 VanDerWaalsContact O-ND2 3.14Å
677	D	35.7	Very low	33.9	Very low	135 Å²	135	149 Å²	149	72%	0.722	78%	0.782	S	S	*	*			trans	-85.2	131.9	177.8	-120.4	-41.3	0	0	0	113.1	V675 L679	V675-D677 PolarHBondContact O-N 2.82Å; V675-D677 VanDerWaalsContact O-N 3.09Å; D677-L679 PolarHBondContact O-N 2.79Å
678	N	34	Very low	33.7	Very low	132 Å²	132	154.2 Å²	154.2	71%	0.706	79%	0.792	S	S	*	*			trans	-87	95.5	-157.2	-86	-108.8	0	0	0	112.5	E676 K680	E676-N678 PolarHBondContact O-ND2 3.27Å; E676-N678 VanDerWaalsContact O-ND2 3.14Å; N678-K680 VanDerWaalsContact C-N 3.31Å; N678-K680 PolarHBondContact O-N 2.72Å
679	L	35.1	Very low	33.3	Very low	168 Å²	168	155.1 Å²	155.1	88%	0.88	80%	0.796	S	S	*	*			trans	-65.9	85.5	171.2	-89.2	88.2	0	0	0	112.3	D677 K681	D677-L679 PolarHBondContact O-N 2.79Å; L679-K681 PolarHBondContact O-N 3.25Å
680	K	35.9	Very low	33.4	Very low	188 Å²	188	153.3 Å²	153.3	82%	0.817	80%	0.795	S	S	*	*			trans	-63.1	100.6	167.8	-70.9	177.9	-179.7	172.8	0	109.9	N678 S682	N678-K680 VanDerWaalsContact C-N 3.31Å; N678-K680 PolarHBondContact O-N 2.72Å; K680-S682 PolarHBondContact O-N 3.41Å
681	K	35	Very low	33.1	Very low	198 Å²	198	156.7 Å²	156.7	86%	0.861	80%	0.8	S	S	*	*			trans	-62.2	92.5	174.7	-66.7	177.5	179.8	175.7	0	111	L679 V683	L679-K681 PolarHBondContact O-N 3.25Å; K681-V683 PolarHBondContact O-N 3.22Å
682	S	33	Very low	33.1	Very low	103 Å²	103	156.3 Å²	156.3	72%	0.72	80%	0.799	S	S	*	*			trans	-71.9	108.2	170.2	44.8	0	0	0	0	109.8	K680 V684	K680-S682 PolarHBondContact O-N 3.41Å; S682-V684 PolarHBondContact O-N 2.81Å
683	V	32.9	Very low	33.3	Very low	136 Å²	136	153 Å²	153	82%	0.824	79%	0.791	S	S	*	*			trans	-73.6	93.5	176.7	-179.7	0	0	0	0	108.9	K681 K685	K681-V683 PolarHBondContact O-N 3.22Å; V683-K685 PolarHBondContact O-N 3.3Å
684	V	33.2	Very low	33.1	Very low	120 Å²	120	150 Å²	150	73%	0.727	79%	0.79	S	S	*	*			trans	-66.8	101.6	175.3	-179.6	0	0	0	0	108.9	S682 V686	S682-V684 PolarHBondContact O-N 2.81Å; V684-V686 PolarHBondContact O-N 2.71Å; V684-V686 VanDerWaalsContact O-N 3.13Å
685	K	32.6	Very low	33.2	Very low	180 Å²	180	154.2 Å²	154.2	78%	0.783	79%	0.792	S	S	*	*			trans	-76.8	98.5	-176.6	-167.1	176.9	-174.7	-179.8	0	109.8	V683 T687	V683-K685 PolarHBondContact O-N 3.3Å; K685-T687 VanDerWaalsContact C-N 3.34Å; K685-T687 PolarHBondContact O-N 3.4Å
686	V	32.3	Very low	33	Very low	126 Å²	126	154.8 Å²	154.8	76%	0.764	80%	0.796	S	S	*	*			trans	-70.3	85.4	-179.3	-175	0	0	0	0	110.9	V684 R688	V684-V686 PolarHBondContact O-N 2.71Å; V684-V686 VanDerWaalsContact O-N 3.13Å; V686-R688 PolarHBondContact O-N 3.28Å
687	T	33.7	Very low	32.8	Very low	109 Å²	109	156 Å²	156	67%	0.669	80%	0.799	S	S	*	*			trans	-70.3	108.9	164.7	34.2	0	0	0	0	109.5	K685 L689	K685-T687 VanDerWaalsContact C-N 3.34Å; K685-T687 PolarHBondContact O-N 3.4Å; T687-L689 PolarHBondContact O-N 2.81Å; T687-L689 VanDerWaalsContact O-N 3.13Å
688	R	29.9	Very low	32.8	Very low	243 Å²	243	158 Å²	158	92%	0.917	80%	0.802	S	S	*	*			trans	-62.4	109.8	166.1	-68.2	177.8	176.5	166.7	-3	108.4	V686	V686-R688 PolarHBondContact O-N 3.28Å
689	L	32	Very low	32.8	Very low	164 Å²	164	157.1 Å²	157.1	86%	0.859	81%	0.805	S	S	*	*			trans	-77.6	144.4	165.9	-69.1	173.3	0	0	0	108.9	T687	T687-L689 PolarHBondContact O-N 2.81Å; T687-L689 VanDerWaalsContact O-N 3.13Å
690	S	33.9	Very low	32.7	Very low	116 Å²	116	157.1 Å²	157.1	81%	0.811	80%	0.801	S	S	*	*			trans	-75.2	157.5	-171.5	47.4	0	0	0	0	113.4	E692	S690-E692 PolarHBondContact O-N 2.78Å
691	E	31.5	Very low	32.4	Very low	191 Å²	191	151.4 Å²	151.4	89%	0.893	80%	0.795	S	S	*	*			trans	-66.8	115.2	172.7	-59.4	155.2	145.7	0	0	110
692	E	33.5	Very low	32.4	Very low	186 Å²	186	149.6 Å²	149.6	87%	0.869	79%	0.79	S	S	*	*			trans	-178.6	93.1	149.6	-108.7	-173.2	158.3	0	0	111.3	S690	S690-E692 PolarHBondContact O-N 2.78Å
693	T	34.5	Very low	32.3	Very low	114 Å²	114	154.6 Å²	154.6	70%	0.699	80%	0.795	S	S	*	*			trans	-161.8	73.7	152.6	-65.6	0	0	0	0	109.1	R695	T693-R695 HydrophobicContact CG2-CB 4.24Å; T693-R695 HydrophobicContact CG2-CG 3.59Å; T693-R695 PolarHBondContact O-N 3.29Å
694	T	31.8	Very low	32.3	Very low	138 Å²	138	156.7 Å²	156.7	85%	0.847	79%	0.793	S	S	*	*			trans	-74.2	68.8	168	28.8	0	0	0	0	110.5	T696	T694-T696 PolarHBondContact O-N 2.88Å
695	R	31.5	Very low	32.5	Very low	206 Å²	206	156.8 Å²	156.8	78%	0.777	79%	0.789	S	S	*	*			trans	-68.1	94	171.6	-89.1	173.9	-173.5	-136.7	1.2	109.7	T693 F697	T693-R695 HydrophobicContact CG2-CB 4.24Å; T693-R695 HydrophobicContact CG2-CG 3.59Å; T693-R695 PolarHBondContact O-N 3.29Å; R695-F697 PolarHBondContact O-N 2.65Å
696	T	30.5	Very low	32.5	Very low	127 Å²	127	155.3 Å²	155.3	78%	0.779	79%	0.789	S	S	*	*			trans	-59.7	101.1	170.9	52.5	0	0	0	0	109.9	T694 K698	T694-T696 PolarHBondContact O-N 2.88Å; T696-K698 PolarHBondContact O-N 3.3Å
697	F	27.6	Very low	33	Very low	196 Å²	196	154.3 Å²	154.3	86%	0.86	79%	0.785	S	S	*	*			trans	-65.8	99	171.4	-96.4	-98.7	0	0	0	109.4	R695 S699	R695-F697 PolarHBondContact O-N 2.65Å; F697-S699 PolarHBondContact O-N 3.47Å; F697-S699 VanDerWaalsContact O-N 3.1Å
698	K	34.4	Very low	33.7	Very low	178 Å²	178	158.1 Å²	158.1	77%	0.774	79%	0.793	S	S	*	*			trans	-69.6	99.9	158.6	-80.8	-172.3	174	-177.3	0	107.6	T696 H700	T696-K698 PolarHBondContact O-N 3.3Å; K698-H700 PolarHBondContact O-N 2.68Å
699	S	33.7	Very low	34.4	Very low	112 Å²	112	154.9 Å²	154.9	78%	0.783	79%	0.788	S	S	*	*			trans	-64.7	97.2	167.5	53.2	0	0	0	0	109.1	F697 G701	F697-S699 PolarHBondContact O-N 3.47Å; F697-S699 VanDerWaalsContact O-N 3.1Å; S699-G701 PolarHBondContact O-N 2.77Å
700	H	33.2	Very low	34.5	Very low	168 Å²	168	152.1 Å²	152.1	78%	0.778	78%	0.777	S	S	*	*			trans	-67.9	83.4	158.3	-83.4	-82.9	0	0	0	107.7	K698 E702	K698-H700 PolarHBondContact O-N 2.68Å; H700-E702 VanDerWaalsContact C-N 3.31Å; H700-E702 PolarHBondContact O-N 3.24Å
701	G	30.9	Very low	34.8	Very low	69 Å²	69	152.6 Å²	152.6	71%	0.711	78%	0.78	S	S	*	*			trans	-68.9	94	164.6	0	0	0	0	0	107.8	S699 Y703	S699-G701 PolarHBondContact O-N 2.77Å; G701-Y703 PolarHBondContact O-N 2.98Å
702	E	33.9	Very low	34.9	Very low	160 Å²	160	148 Å²	148	75%	0.748	77%	0.769	S	S	*	*			trans	-65.3	101.2	171.7	-66.7	-164.4	147.1	0	0	108.4	H700 F704	H700-E702 VanDerWaalsContact C-N 3.31Å; H700-E702 PolarHBondContact O-N 3.24Å; E702-F704 PolarHBondContact O-N 3.26Å
703	Y	30.9	Very low	34.9	Very low	208 Å²	208	144.1 Å²	144.1	82%	0.816	76%	0.758	S	S	*	*			trans	-70.2	100.7	177.9	-158.5	-93.8	0	0	0	107.8	G701 D705	G701-Y703 PolarHBondContact O-N 2.98Å; Y703-D705 VanDerWaalsContact C-N 3.3Å; Y703-D705 PolarHBondContact O-N 2.68Å
704	F	32.9	Very low	34.9	Very low	179 Å²	179	149.4 Å²	149.4	79%	0.785	77%	0.765	S	S	*	*			trans	-67.4	88.9	177.6	-104.1	-98.8	0	0	0	109.7	E702 L706	E702-F704 PolarHBondContact O-N 3.26Å; F704-L706 PolarHBondContact O-N 2.85Å; F704-L706 VanDerWaalsContact O-N 3.12Å
705	D	38.3	Very low	35.1	Very low	122 Å²	122	151.2 Å²	151.2	65%	0.652	76%	0.762	S	S	*	*			trans	-57.3	113.2	170.4	-99.9	-3.2	0	0	0	109.3	Y703	Y703-D705 VanDerWaalsContact C-N 3.3Å; Y703-D705 PolarHBondContact O-N 2.68Å
706	L	32.5	Very low	35.1	Very low	150 Å²	150	150.8 Å²	150.8	79%	0.785	76%	0.76	S	S	*	*			trans	-62.8	135.8	176.6	-80.7	82.3	0	0	0	109.8	F704 K708	F704-L706 PolarHBondContact O-N 2.85Å; F704-L706 VanDerWaalsContact O-N 3.12Å; L706-K708 PolarHBondContact O-N 2.78Å
707	P	42.7	Very low	35.4	Very low	105 Å²	105	149.7 Å²	149.7	68%	0.682	76%	0.758	S	S	*	*			trans	-56	129.3	-178.3	-27.9	35.3	0	0	0	113.1	H709	P707-H709 PolarHBondContact O-N 3.17Å
708	K	48.1	Very low	35.9	Very low	189 Å²	189	146.2 Å²	146.2	82%	0.822	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	25.3	-172.2	-63.5	-177.2	177.4	175.6	0	115.8	L706	L706-K708 PolarHBondContact O-N 2.78Å
709	H	43.6	Very low	36	Very low	175 Å²	175	144 Å²	144	81%	0.81	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.9	12.2	-173	-78	-70	0	0	0	115.5	P707 S711	P707-H709 PolarHBondContact O-N 3.17Å; H709-S711 PolarHBondContact O-N 3.27Å
710	V	34.7	Very low	36	Very low	106 Å²	106	149.6 Å²	149.6	64%	0.642	75%	0.747	S	S	*	*			trans	-88	88.1	168.9	-173.5	0	0	0	0	109.7	V713	V710-V713 HydrophobicContact CG1-CG2 3.97Å
711	S	39.7	Very low	36	Very low	125 Å²	125	146.6 Å²	146.6	87%	0.874	74%	0.743	S	S	*	*			trans	-81	-8.7	-173.4	53.4	0	0	0	0	115.5	H709	H709-S711 PolarHBondContact O-N 3.27Å
712	S	34.1	Very low	36.1	Very low	94 Å²	94	150.4 Å²	150.4	66%	0.657	75%	0.747	S	S	*	*			trans	-156.8	138.8	161.1	66.3	0	0	0	0	111.4
713	V	34.4	Very low	36	Very low	105 Å²	105	151.5 Å²	151.5	64%	0.636	75%	0.752	S	S	*	*			trans	-100.6	94	164.5	178.6	0	0	0	0	107.1	V710 F715	V710-V713 HydrophobicContact CG1-CG2 3.97Å; V713-F715 HydrophobicContact CG1-CE2 4.27Å; V713-F715 HydrophobicContact CG1-CZ 4.37Å; V713-F715 PolarHBondContact O-N 2.84Å
714	R	34.3	Very low	35.9	Very low	226 Å²	226	145.9 Å²	145.9	85%	0.853	74%	0.743	S	S	*	*			trans	-80.3	97.7	173.4	178.8	178.5	-88.1	173.3	-7.9	108.7	R716	R714-R716 PolarHBondContact O-N 2.68Å
715	F	36.2	Very low	35.8	Very low	176 Å²	176	145.8 Å²	145.8	77%	0.772	75%	0.745	S	S	*	*			trans	-53.5	128.8	163.8	-64	-88.3	0	0	0	109.2	V713	V713-F715 HydrophobicContact CG1-CE2 4.27Å; V713-F715 HydrophobicContact CG1-CZ 4.37Å; V713-F715 PolarHBondContact O-N 2.84Å
716	R	29.6	Very low	35.4	Very low	196 Å²	196	148.1 Å²	148.1	74%	0.74	76%	0.757	S	S	*	*			trans	-84.9	124	165.7	-81.3	-171.8	176	-170.2	-0.8	107.9	R714 D718	R714-R716 PolarHBondContact O-N 2.68Å; R716-D718 WeakPolarHBondContact CD-OD2 3.41Å; R716-D718 PolarHBondContact O-N 3.03Å
717	S	37.8	Very low	35.1	Very low	104 Å²	104	146 Å²	146	73%	0.727	75%	0.754	S	S	*	*			trans	-72.5	-16	177.3	-49.3	0	0	0	0	112.7	I719	S717-I719 PolarHBondContact O-N 3.32Å
718	D	37.9	Very low	34.6	Very low	123 Å²	123	149.4 Å²	149.4	66%	0.658	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	21.3	-165	-27.5	-33.3	0	0	0	115.6	R716	R716-D718 WeakPolarHBondContact CD-OD2 3.41Å; R716-D718 PolarHBondContact O-N 3.03Å
719	I	35.8	Very low	33.7	Very low	133 Å²	133	148.9 Å²	148.9	68%	0.682	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.5	-20.5	-175.3	-64.4	-179.9	0	0	0	112.6	S717	S717-I719 PolarHBondContact O-N 3.32Å
720	W	33.8	Very low	33	Very low	228 Å²	228	143.8 Å²	143.8	86%	0.864	75%	0.753	S	S	*	*	S	Bend	trans	-98.8	118.3	167.5	-86.7	-83.7	0	0	0	110.4
721	P	34.1	Very low	32.8	Very low	105 Å²	105	143.7 Å²	143.7	68%	0.682	76%	0.757	S	S	*	*			trans	-72.4	150.1	173.8	30.9	-34.3	0	0	0	111.1	E723	P721-E723 PolarHBondContact O-N 3.24Å
722	D	32.5	Very low	32.6	Very low	149 Å²	149	146.8 Å²	146.8	80%	0.797	75%	0.75	S	S	*	*			trans	-67.8	88.2	-179.7	-68.9	-67.8	0	0	0	112.9	S724	D722-S724 PolarHBondContact O-N 2.85Å; D722-S724 PolarHBondContact O-OG 2.78Å
723	E	31.8	Very low	32.3	Very low	183 Å²	183	149.7 Å²	149.7	86%	0.855	75%	0.751	S	S	*	*			trans	-71.3	56.1	164.4	-70.2	-158.7	149.6	0	0	111.8	P721 H725	P721-E723 PolarHBondContact O-N 3.24Å; E723-H725 PolarHBondContact O-N 3.39Å
724	S	28.8	Very low	32.2	Very low	91 Å²	91	151 Å²	151	64%	0.636	75%	0.745	S	S	*	*			trans	-76.2	26.6	-178	51.1	0	0	0	0	113.8	D722	D722-S724 PolarHBondContact O-N 2.85Å; D722-S724 PolarHBondContact O-OG 2.78Å
725	H	30.3	Very low	31.8	Very low	177 Å²	177	143.7 Å²	143.7	82%	0.819	73%	0.726	S	S	*	*			trans	-134.4	34.8	-167.4	-88.6	-65	0	0	0	115.7	E723	E723-H725 PolarHBondContact O-N 3.39Å
726	L	30.2	Very low	31.4	Very low	171 Å²	171	139.3 Å²	139.3	90%	0.895	72%	0.716	S	S	*	*			trans	-123.4	69.9	165.5	-98.7	164.7	0	0	0	112.1
727	S	27.8	Very low	31.2	Very low	104 Å²	104	135.5 Å²	135.5	73%	0.727	71%	0.709	S	S	*	*			trans	-79.3	127.3	175.4	60.4	0	0	0	0	112.4
728	K	30.7	Very low	30.8	Very low	177 Å²	177	136.4 Å²	136.4	77%	0.77	71%	0.705	S	S	*	*	S	Bend	trans	76.9	139.8	162.9	-60.4	-178.8	167	-162.7	0	119.3
729	E	29.4	Very low	30.4	Very low	179 Å²	179	140.7 Å²	140.7	84%	0.836	73%	0.727	S	S	*	*			trans	57.1	64.9	141.8	-65.9	168.2	108.5	0	0	118
730	G	29.6	Very low	30.1	Very low	67 Å²	67	141.1 Å²	141.1	69%	0.691	73%	0.729	S	S	*	*			trans	-122.7	85.3	162.6	0	0	0	0	0	112.3	R732	G730-R732 PolarHBondContact O-N 2.89Å; G730-R732 VanDerWaalsContact O-N 3.14Å
731	S	29.9	Very low	29.9	Very low	105 Å²	105	136.5 Å²	136.5	73%	0.734	72%	0.722	S	S	*	*			trans	-67.5	109.5	171.8	45	0	0	0	0	109.8	K733	S731-K733 PolarHBondContact O-N 2.94Å
732	R	34.9	Very low	29.7	Very low	189 Å²	189	138.2 Å²	138.2	71%	0.713	72%	0.724	S	S	*	*			trans	-69.5	92.9	-172.5	-65.5	-170.5	-179.2	-179.5	1.9	111.4	G730 Y734	G730-R732 PolarHBondContact O-N 2.89Å; G730-R732 VanDerWaalsContact O-N 3.14Å; R732-Y734 HydrophobicContact CB-CD2 4.03Å; R732-Y734 HydrophobicContact CB-CE2 3.55Å; R732-Y734 WeakPolarHBondContact CD-OH 3.41Å; R732-Y734 HydrophobicContact CG-CE2 4.38Å; R732-Y734 PolarHBondContact NH1-OH 3.19Å; R732-Y734 WeakPolarHBondContact O-CD2 3.32Å; R732-Y734 PolarHBondContact O-N 2.84Å; R732-Y734 VanDerWaalsContact O-N 3.15Å
733	K	29.2	Very low	29.5	Very low	156 Å²	156	137.6 Å²	137.6	68%	0.678	72%	0.72	S	S	*	*			trans	-74.2	95.5	172.1	-69.5	-178	178	179.6	0	110.5	S731 T735	S731-K733 PolarHBondContact O-N 2.94Å; K733-T735 PolarHBondContact O-N 3.42Å
734	Y	31.1	Very low	29.4	Very low	132 Å²	132	134.8 Å²	134.8	52%	0.518	71%	0.711	S	S	.	*	B	Isolated β-bridge	trans	-84.8	82.7	170.2	-69	-81.7	0	0	0	110	R732 C736	R732-Y734 HydrophobicContact CB-CD2 4.03Å; R732-Y734 HydrophobicContact CB-CE2 3.55Å; R732-Y734 WeakPolarHBondContact CD-OH 3.41Å; R732-Y734 HydrophobicContact CG-CE2 4.38Å; R732-Y734 PolarHBondContact NH1-OH 3.19Å; R732-Y734 WeakPolarHBondContact O-CD2 3.32Å; R732-Y734 PolarHBondContact O-N 2.84Å; R732-Y734 VanDerWaalsContact O-N 3.15Å; Y734-C736 PolarHBondContact O-N 3.35Å; Y734-C736 VanDerWaalsContact O-N 3.11Å
735	T	27.5	Very low	29.4	Very low	73 Å²	73	137.7 Å²	137.7	45%	0.448	72%	0.716	S	S	.	*			trans	-81.6	84.2	178	-44.6	0	0	0	0	110.8	K733 I737	K733-T735 PolarHBondContact O-N 3.42Å; T735-I737 HydrophobicContact CG2-CD1 4.4Å; T735-I737 HydrophobicContact CG2-CG1 3.88Å; T735-I737 PolarHBondContact O-N 2.96Å
736	C	26.4	Very low	29.4	Very low	83 Å²	83	134.9 Å²	134.9	56%	0.561	71%	0.709	S	S	*	*			trans	-74.8	89.7	171.1	-70.5	0	0	0	0	110.7	Y734 L738	Y734-C736 PolarHBondContact O-N 3.35Å; Y734-C736 VanDerWaalsContact O-N 3.11Å; C736-L738 PolarHBondContact O-N 3.48Å; C736-L738 VanDerWaalsContact O-N 3.12Å
737	I	26.3	Very low	29.3	Very low	117 Å²	117	132.1 Å²	132.1	60%	0.6	70%	0.695	S	S	*	*			trans	-77.6	94.2	169.3	-51.4	-179.4	0	0	0	108.3	T735 L739	T735-I737 HydrophobicContact CG2-CD1 4.4Å; T735-I737 HydrophobicContact CG2-CG1 3.88Å; T735-I737 PolarHBondContact O-N 2.96Å; I737-L739 HydrophobicContact CG2-CG 4.31Å
738	L	29.5	Very low	29.4	Very low	122 Å²	122	134.4 Å²	134.4	64%	0.639	69%	0.692	S	S	*	*			trans	-72.7	138.2	157.3	-69.4	167	0	0	0	108.2	C736	C736-L738 PolarHBondContact O-N 3.48Å; C736-L738 VanDerWaalsContact O-N 3.12Å
739	L	28.8	Very low	29.3	Very low	213 Å²	213	130.5 Å²	130.5	100%	1.115	69%	0.685	S	S	*	*			trans	-117.6	0	-176.6	-95.9	168.7	0	0	0	110.5	I737	I737-L739 HydrophobicContact CG2-CG 4.31Å

Retrieved 739 of 739 residues in 824.2 ms (Link to these results)

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