A0A087YJ26_POEFO Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A087YJ26, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 658 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	43.8	Very low	36.5	Very low	226 Å²	226	144.9 Å²	144.9	100%	1.113	71%	0.71	S	S	*	*				0	21.9	0	-161.1	173.2	-82.1	0	0	112.1
2	E	36	Very low	36.9	Very low	169 Å²	169	147.6 Å²	147.6	79%	0.79	72%	0.715	S	S	*	*			trans	-102.5	-5.4	-159.1	-67.1	157	118.9	0	0	115.7	K4	E2-K4 VanDerWaalsContact C-N 3.28Å; E2-K4 PolarHBondContact O-N 3.47Å
3	R	32.8	Very low	36.9	Very low	226 Å²	226	151.4 Å²	151.4	85%	0.853	73%	0.726	S	S	*	*	H	α-helix	trans	-68.8	-17.7	-177.5	-78.1	-173.6	168.8	-158.5	-8.5	114.8	V5	R3-V5 PolarHBondContact O-N 2.79Å
4	K	41.4	Very low	37.1	Very low	180 Å²	180	157.9 Å²	157.9	78%	0.783	74%	0.74	S	S	*	*	H	α-helix	trans	-73	-20.1	179.6	-75.9	-167.6	172.5	-172.7	0	114.5	E2	E2-K4 VanDerWaalsContact C-N 3.28Å; E2-K4 PolarHBondContact O-N 3.47Å
5	V	35	Very low	36.9	Very low	82 Å²	82	156 Å²	156	50%	0.497	74%	0.743	S	S	.	*	H	α-helix	trans	-83.1	-37.9	-170.1	-176.9	0	0	0	0	113.4	R3 Q9	R3-V5 PolarHBondContact O-N 2.79Å; V5-Q9 PolarHBondContact O-N 3.06Å
6	L	34.5	Very low	36.6	Very low	130 Å²	130	159.2 Å²	159.2	68%	0.681	75%	0.753	S	S	*	*	H	α-helix	trans	-71.5	-36.7	-172.7	-76.7	165.5	0	0	0	113.6	I8 Q9 A10	L6-I8 VanDerWaalsContact C-N 3.35Å; L6-I8 PolarHBondContact O-N 3.07Å; L6-Q9 PolarHBondContact O-N 3.46Å; L6-A10 PolarHBondContact O-N 3.48Å
7	A	34.5	Very low	36.2	Very low	67 Å²	67	161.2 Å²	161.2	55%	0.554	76%	0.762	S	S	*	*	H	α-helix	trans	-61.4	-41.7	-180	0	0	0	0	0	112.5	A10	A7-A10 PolarHBondContact O-N 3.44Å
8	I	35.2	Very low	35.9	Very low	121 Å²	121	165.6 Å²	165.6	62%	0.621	77%	0.77	S	S	*	*	H	α-helix	trans	-67.7	-40.1	178.9	-60.9	174.6	0	0	0	110.8	L6	L6-I8 VanDerWaalsContact C-N 3.35Å; L6-I8 PolarHBondContact O-N 3.07Å
9	Q	31.4	Very low	35.5	Very low	119 Å²	119	167.7 Å²	167.7	56%	0.556	78%	0.777	S	S	*	*	H	α-helix	trans	-72.1	-29.2	179.1	-67.3	-173.3	6	0	0	113.3	V5 L6 K12	V5-Q9 PolarHBondContact O-N 3.06Å; L6-Q9 PolarHBondContact O-N 3.46Å; Q9-K12 PolarHBondContact O-N 3.3Å
10	A	35.3	Very low	35.4	Very low	74 Å²	74	165.7 Å²	165.7	61%	0.612	78%	0.779	S	S	*	*	H	α-helix	trans	-65.2	-42.1	177.8	0	0	0	0	0	112.8	L6 A7 K12	L6-A10 PolarHBondContact O-N 3.48Å; A7-A10 PolarHBondContact O-N 3.44Å; A10-K12 VanDerWaalsContact C-N 3.32Å; A10-K12 PolarHBondContact O-N 2.83Å
11	R	41.8	Very low	35.1	Very low	200 Å²	200	161.6 Å²	161.6	76%	0.755	78%	0.781	S	S	*	*	H	α-helix	trans	-67.1	-29.1	178.7	-70.1	-173.8	178.4	179.7	2.6	112.7	K13	R11-K13 VanDerWaalsContact C-N 3.28Å; R11-K13 PolarHBondContact O-N 2.98Å
12	K	40.8	Very low	34.4	Very low	177 Å²	177	160.4 Å²	160.4	77%	0.77	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	-1.9	-177.4	-106.7	179	179.6	174.9	0	116.6	Q9 A10	Q9-K12 PolarHBondContact O-N 3.3Å; A10-K12 VanDerWaalsContact C-N 3.32Å; A10-K12 PolarHBondContact O-N 2.83Å
13	K	37.2	Very low	34.1	Very low	197 Å²	197	161.8 Å²	161.8	86%	0.857	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.7	7.4	-175.8	-88.1	-174.9	176.4	176.3	0	116.6	R11	R11-K13 VanDerWaalsContact C-N 3.28Å; R11-K13 PolarHBondContact O-N 2.98Å
14	R	40.2	Very low	34.2	Very low	243 Å²	243	156.8 Å²	156.8	92%	0.917	77%	0.77	S	S	*	*			trans	-103.4	22.8	-174.7	-114.2	-176.7	-177.1	-164.5	0.9	117
15	T	34.3	Very low	33.7	Very low	129 Å²	129	156.3 Å²	156.3	79%	0.791	77%	0.771	S	S	*	*			trans	-101.3	110.5	171.4	34.5	0	0	0	0	112.5	Q17	T15-Q17 PolarHBondContact O-N 2.95Å
16	K	32.2	Very low	34	Very low	207 Å²	207	157.3 Å²	157.3	90%	0.9	78%	0.779	S	S	*	*			trans	-73.5	111.8	174.2	-96.8	178.2	174.6	171.6	0	110.7	R18	K16-R18 PolarHBondContact O-N 3.32Å
17	Q	29	Very low	33.9	Very low	193 Å²	193	159.7 Å²	159.7	90%	0.902	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-62	126.7	170.1	-72.3	-175.8	-17.9	0	0	111.4	T15	T15-Q17 PolarHBondContact O-N 2.95Å
18	R	30.4	Very low	33.6	Very low	241 Å²	241	160.4 Å²	160.4	91%	0.909	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-80.4	129.4	170.1	-64.6	173.6	75.6	-179.3	5	109	K16	K16-R18 PolarHBondContact O-N 3.32Å
19	K	29.2	Very low	33.2	Very low	206 Å²	206	166.8 Å²	166.8	90%	0.896	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-69.6	128.6	177.9	-69.2	179.1	177.2	176.3	0	111.1
20	P	33.7	Very low	33	Very low	126 Å²	126	165.1 Å²	165.1	82%	0.818	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-75.2	154.5	168.4	31.2	-33.8	0	0	0	111.8
21	G	28.6	Very low	32.7	Very low	81 Å²	81	165.5 Å²	165.5	84%	0.835	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-79.1	158.4	178.3	0	0	0	0	0	113.9
22	K	29.5	Very low	32.1	Very low	200 Å²	200	160.4 Å²	160.4	87%	0.87	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-81	150.3	180	-73.1	-176.2	173	-177.6	0	113.7
23	K	29.6	Very low	31.5	Very low	199 Å²	199	157.3 Å²	157.3	87%	0.865	84%	0.843	S	S	*	*			trans	118.3	149.2	145.7	-69.8	-176.3	177.9	-176.5	0	114.7
24	P	34.7	Very low	31.2	Very low	120 Å²	120	155.8 Å²	155.8	78%	0.779	84%	0.843	S	S	*	*			cis	-132.6	170.1	-34.6	38	-22.5	0	0	0	113.3
25	E	31.1	Very low	30.7	Very low	171 Å²	171	152.9 Å²	152.9	80%	0.799	84%	0.84	S	S	*	*			trans	-67.4	157.3	169.3	-124.7	-177.7	-118.8	0	0	112.1
26	P	41.4	Very low	30.4	Very low	103 Å²	103	149.9 Å²	149.9	67%	0.669	84%	0.835	S	S	*	*				-153.6	150.4	82.3	38.4	-18.8	0	0	0	119.3
27	H	30.9	Very low	30.1	Very low	180 Å²	180	149.8 Å²	149.8	83%	0.833	84%	0.838	S	S	*	*			trans	69.1	135	143.7	-62.8	7.7	0	0	0	121.6
28	G	28.2	Very low	30.1	Very low	82 Å²	82	144.1 Å²	144.1	85%	0.845	83%	0.832	S	S	*	*			trans	167.4	110.9	160.6	0	0	0	0	0	114.5
29	R	28.4	Very low	30	Very low	255 Å²	255	142.4 Å²	142.4	96%	0.962	83%	0.834	S	S	*	*			trans	-82.9	130.5	-177	-73.6	173.5	169.3	166.8	-5.5	113.9
30	G	26.5	Very low	30.2	Very low	84 Å²	84	136.4 Å²	136.4	87%	0.866	82%	0.822	S	S	*	*				79.9	149.6	123.1	0	0	0	0	0	120.4
31	G	28.6	Very low	30	Very low	82 Å²	82	136.4 Å²	136.4	85%	0.845	82%	0.822	S	S	*	*			trans	150.7	146.7	177.3	0	0	0	0	0	110.5
32	A	29.8	Very low	30	Very low	93 Å²	93	140 Å²	140	77%	0.769	82%	0.822	S	S	*	*			trans	-148.6	156.5	-175.8	0	0	0	0	0	113.3
33	S	28.9	Very low	30.1	Very low	112 Å²	112	135.7 Å²	135.7	78%	0.783	81%	0.814	S	S	*	*			trans	66.8	116.1	160.5	-51.8	0	0	0	0	118.9
34	L	30	Very low	30.1	Very low	164 Å²	164	135.1 Å²	135.1	86%	0.859	82%	0.815	S	S	*	*				-176.6	-175.6	104.5	-95.8	168.2	0	0	0	112.1
35	Q	29.8	Very low	29.7	Very low	182 Å²	182	138.3 Å²	138.3	85%	0.85	82%	0.819	S	S	*	*			trans	-103.6	136.2	-155	-62	158.9	-56.4	0	0	115.3
36	G	26.8	Very low	29.6	Very low	66 Å²	66	137.8 Å²	137.8	68%	0.68	82%	0.822	S	S	*	*				66.5	120.8	126.6	0	0	0	0	0	121.8
37	Q	27.6	Very low	29	Very low	205 Å²	205	141.3 Å²	141.3	96%	0.958	83%	0.829	S	S	*	*			trans	-172	147.2	136.1	-109.9	158.3	87.7	0	0	112.2
38	G	27.6	Very low	29.1	Very low	75 Å²	75	142.1 Å²	142.1	77%	0.773	83%	0.834	S	S	*	*			trans	72.7	96.9	157.7	0	0	0	0	0	118.2	A40	G38-A40 PolarHBondContact O-N 2.83Å
39	E	29.4	Very low	29.2	Very low	205 Å²	205	144.8 Å²	144.8	96%	0.958	83%	0.827	S	S	*	*			trans	-73.6	104.2	151.3	-74.7	-178	126.7	0	0	108.7
40	A	32.8	Very low	29.4	Very low	79 Å²	79	139.9 Å²	139.9	65%	0.653	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-83.4	147.3	155.2	0	0	0	0	0	108.2	G38 L42	G38-A40 PolarHBondContact O-N 2.83Å; A40-L42 PolarHBondContact O-N 2.87Å
41	P	30.2	Very low	29.6	Very low	126 Å²	126	138.5 Å²	138.5	82%	0.818	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-55.1	125.3	168.4	-22	33.2	0	0	0	109.2
42	L	28.5	Very low	29.8	Very low	157 Å²	157	138 Å²	138	82%	0.822	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-59.7	138	163.8	-71	166.8	0	0	0	107.2	A40 E44	A40-L42 PolarHBondContact O-N 2.87Å; L42-E44 PolarHBondContact O-N 3.5Å
43	P	31.7	Very low	30.4	Very low	110 Å²	110	137.3 Å²	137.3	71%	0.714	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-56.6	133.1	168.9	26.5	-33.3	0	0	0	107.7	Q45	P43-Q45 PolarHBondContact O-N 3.27Å; P43-Q45 VanDerWaalsContact O-N 3.1Å
44	E	28.7	Very low	31.4	Very low	187 Å²	187	134.9 Å²	134.9	87%	0.874	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-55	120.3	175	-66.1	178.2	140.4	0	0	107.3	L42 D46	L42-E44 PolarHBondContact O-N 3.5Å; E44-D46 PolarHBondContact O-N 3.23Å; E44-D46 VanDerWaalsContact O-N 3.12Å
45	Q	26.7	Very low	32.2	Very low	187 Å²	187	132 Å²	132	87%	0.874	74%	0.735	S	S	*	*			trans	-71.8	108.6	171.5	-70.5	-179.7	-3.1	0	0	105.2	P43 E47	P43-Q45 PolarHBondContact O-N 3.27Å; P43-Q45 VanDerWaalsContact O-N 3.1Å; Q45-E47 PolarHBondContact O-N 3.31Å; Q45-E47 VanDerWaalsContact O-N 3.08Å
46	D	28.5	Very low	33.9	Very low	160 Å²	160	129.9 Å²	129.9	86%	0.856	73%	0.726	S	S	*	*			trans	-39.6	117.9	-179.7	-64.2	-70.4	0	0	0	109.4	E44 E48	E44-D46 PolarHBondContact O-N 3.23Å; E44-D46 VanDerWaalsContact O-N 3.12Å; D46-E48 PolarHBondContact O-N 2.93Å; D46-E48 VanDerWaalsContact O-N 3.11Å
47	E	29.2	Very low	36.3	Very low	176 Å²	176	130 Å²	130	82%	0.822	71%	0.708	S	S	*	*			trans	-59.2	124.5	-178.6	-70.8	-156.6	133.2	0	0	108.2	Q45 I49	Q45-E47 PolarHBondContact O-N 3.31Å; Q45-E47 VanDerWaalsContact O-N 3.08Å; E47-I49 WeakPolarHBondContact O-CG1 3.47Å; E47-I49 PolarHBondContact O-N 3.43Å
48	E	32.1	Very low	39	Very low	198 Å²	198	120.2 Å²	120.2	93%	0.925	66%	0.663	S	S	*	*			trans	-72.4	73.3	-176.8	-164.2	173.9	-142.8	0	0	109.1	D46 L50	D46-E48 PolarHBondContact O-N 2.93Å; D46-E48 VanDerWaalsContact O-N 3.11Å; E48-L50 PolarHBondContact O-N 3.17Å
49	I	30.7	Very low	41.8	Very low	137 Å²	137	120.4 Å²	120.4	70%	0.703	65%	0.646	S	S	*	*			trans	-58	134.2	-175.9	-73.5	167.6	0	0	0	109.1	E47 G51	E47-I49 WeakPolarHBondContact O-CG1 3.47Å; E47-I49 PolarHBondContact O-N 3.43Å; I49-G51 PolarHBondContact O-N 3.39Å
50	L	33	Very low	44.6	Very low	152 Å²	152	113.5 Å²	113.5	80%	0.796	62%	0.619	S	S	*	*	S	Bend	trans	-60.6	107.6	-170.4	-75.5	114.1	0	0	0	113.1	E48	E48-L50 PolarHBondContact O-N 3.17Å
51	G	30.9	Very low	47.2	Very low	55 Å²	55	115.5 Å²	115.5	57%	0.567	62%	0.619	S	S	*	*			trans	74.4	82.6	150.4	0	0	0	0	0	116	I49 D53	I49-G51 PolarHBondContact O-N 3.39Å; G51-D53 PolarHBondContact O-N 2.95Å; G51-D53 VanDerWaalsContact O-N 3.12Å
52	S	33.1	Very low	50.2	Low	72 Å²	72	111.8 Å²	111.8	50%	0.503	59%	0.592	S	S	.	*			trans	-67.4	99.1	150.6	41.9	0	0	0	0	109.8	D54 D55	S52-D54 PolarHBondContact O-N 2.97Å; S52-D55 PolarHBondContact O-N 3.09Å; S52-D55 PolarHBondContact OG-OD2 3.41Å
53	D	43	Very low	53.2	Low	78 Å²	78	105.6 Å²	105.6	42%	0.417	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	-46.7	-22.1	171	-98.1	-26.6	0	0	0	113.9	G51 D55	G51-D53 PolarHBondContact O-N 2.95Å; G51-D53 VanDerWaalsContact O-N 3.12Å; D53-D55 PolarHBondContact O-N 3.45Å
54	D	48.3	Very low	56.1	Low	61 Å²	61	103.4 Å²	103.4	33%	0.326	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-6.8	179.7	-62.5	-56.8	0	0	0	114.1	S52 K175 S248 S250	S52-D54 PolarHBondContact O-N 2.97Å; D54-K175 IonicContact OD1-NZ 2.64Å; D54-K175 PolarHBondContact OD1-NZ 2.87Å; D54-K175 IonicContact OD2-NZ 3.6Å; D54-K175 PolarHBondContact OD2-NZ 3.46Å; D54-S248 PolarHBondContact O-OG 3.01Å; D54-S250 WeakPolarHBondContact O-CB 3.37Å; D54-S250 PolarHBondContact O-OG 2.71Å
55	D	48	Very low	59.2	Low	103 Å²	103	105.4 Å²	105.4	55%	0.551	54%	0.544	S	S	*	.	S	Bend	trans	-105.2	-23.8	176.9	-70.7	-59.8	0	0	0	114.9	S52 D53	S52-D55 PolarHBondContact O-N 3.09Å; S52-D55 PolarHBondContact OG-OD2 3.41Å; D53-D55 PolarHBondContact O-N 3.45Å
56	E	65.3	Low	62.3	Low	139 Å²	139	97.3 Å²	97.3	65%	0.65	51%	0.511	S	S	*	.			trans	-74.1	137.1	177.4	-70.6	-150.7	177.8	0	0	111.9	W89	E56-W89 HydrophobicContact CB-CZ2 4.39Å; E56-W89 PolarHBondContact O-NE1 3.33Å
57	Q	77.8	Confident	65.5	Low	68 Å²	68	90 Å²	90	32%	0.318	47%	0.473	S	S	.	.			trans	-140.1	154.2	-174.8	-62.1	-176.6	64.4	0	0	112.2	G249 T254	Q57-G249 PolarHBondContact OE1-O 2.83Å; Q57-T254 HydrophobicContact CB-CG2 3.42Å; Q57-T254 VanDerWaalsContact CB-CG2 3.42Å; Q57-T254 HydrophobicContact CG-CG2 4.21Å; Q57-T254 VanDerWaalsContact OE1-CG2 3.22Å
58	E	84.3	Confident	68.6	Low	0 Å²	0	81.7 Å²	81.7	0%	0	43%	0.434	C	S	.	.			trans	-58.7	138.7	-177.4	68.2	-75	-175.8	0	0	112.8	P60 Y63 Y68 K86 W89 S253 T254	E58-P60 WeakPolarHBondContact O-CD 3.37Å; E58-Y63 HydrophobicContact CG-CE2 3.74Å; E58-Y63 PolarHBondContact OE1-OH 3.37Å; E58-Y63 VanDerWaalsContact OE1-OH 3.08Å; E58-Y68 HydrophobicContact CB-CD2 4.36Å; E58-Y68 HydrophobicContact CB-CE2 3.66Å; E58-Y68 HydrophobicContact CG-CD2 4.22Å; E58-Y68 HydrophobicContact CG-CE2 4.01Å; E58-K86 IonicContact OE1-NZ 2.9Å; E58-K86 PolarHBondContact OE1-NZ 2.94Å; E58-K86 WeakPolarHBondContact OE2-CE 3.37Å; E58-K86 IonicContact OE2-NZ 2.57Å; E58-K86 PolarHBondContact OE2-NZ 2.87Å; E58-W89 HydrophobicContact CB-CD2 3.8Å; E58-W89 HydrophobicContact CB-CE3 3.52Å; E58-W89 HydrophobicContact CB-CG 4.25Å; E58-W89 HydrophobicContact CB-CZ3 4Å; E58-S253 WeakPolarHBondContact OE1-CA 3.3Å; E58-T254 WeakPolarHBondContact CG-OG1 3.29Å; E58-T254 WeakPolarHBondContact O-CG2 3.42Å; E58-T254 PolarHBondContact O-OG1 2.89Å; E58-T254 PolarHBondContact OE1-N 3.21Å; E58-T254 PolarHBondContact OE1-OG1 2.93Å
59	D	85.1	Confident	71.6	Confident	78 Å²	78	73.4 Å²	73.4	42%	0.417	40%	0.395	S	S	.	.			trans	-57.1	120.4	-179.2	-173.2	-19	0	0	0	110.4	N61 D62	D59-N61 PolarHBondContact O-N 3.34Å; D59-N61 VanDerWaalsContact OD1-CB 3.29Å; D59-N61 WeakPolarHBondContact OD1-CB 3.35Å; D59-N61 VanDerWaalsContact OD1-CG 3.32Å; D59-N61 PolarHBondContact OD1-N 2.91Å; D59-N61 PolarHBondContact OD1-ND2 3.31Å; D59-N61 PolarHBondContact OD2-ND2 3.39Å; D59-D62 WeakPolarHBondContact O-CB 3.26Å; D59-D62 PolarHBondContact O-N 3.1Å
60	P	88.3	Confident	74.6	Confident	60 Å²	60	69.4 Å²	69.4	39%	0.39	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-55.6	-21.5	176.4	-24.4	33	0	0	0	114.3	E58 Y63 P256	E58-P60 WeakPolarHBondContact O-CD 3.37Å; P60-Y63 PolarHBondContact O-N 2.86Å; P60-P256 HydrophobicContact CB-CG 3.96Å; P60-P256 WeakPolarHBondContact O-CD 3.42Å; P60-P256 WeakPolarHBondContact O-CG 3.43Å
61	N	88.8	Confident	77.5	Confident	122 Å²	122	62.2 Å²	62.2	65%	0.652	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-71.8	-25.7	176.1	-60.3	-63.9	0	0	0	113.2	D59 Y63 C64	D59-N61 PolarHBondContact O-N 3.34Å; D59-N61 VanDerWaalsContact OD1-CB 3.29Å; D59-N61 WeakPolarHBondContact OD1-CB 3.35Å; D59-N61 VanDerWaalsContact OD1-CG 3.32Å; D59-N61 PolarHBondContact OD1-N 2.91Å; D59-N61 PolarHBondContact OD1-ND2 3.31Å; D59-N61 PolarHBondContact OD2-ND2 3.39Å; N61-Y63 PolarHBondContact O-N 3.49Å; N61-C64 PolarHBondContact O-SG 3.24Å
62	D	91.8	Very high	80.3	Confident	48 Å²	48	64 Å²	64	26%	0.257	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-70.9	-3.7	175.6	-90.5	-16.3	0	0	0	112.8	D59 C64 G67 Y68 K113	D59-D62 WeakPolarHBondContact O-CB 3.26Å; D59-D62 PolarHBondContact O-N 3.1Å; D62-C64 PolarHBondContact O-N 3.46Å; D62-G67 CarbonylContact O-C 3.16Å; D62-G67 WeakPolarHBondContact O-CA 3.06Å; D62-Y68 HydrophobicContact CB-CD2 3.35Å; D62-Y68 HydrophobicContact CB-CE2 3.32Å; D62-Y68 HydrophobicContact CB-CG 4.47Å; D62-Y68 PolarHBondContact O-N 3.44Å; D62-Y68 WeakPolarHBondContact OD2-CE2 3.15Å; D62-K113 VanDerWaalsContact CG-NZ 3.3Å; D62-K113 IonicContact OD1-NZ 3.6Å; D62-K113 WeakPolarHBondContact OD2-CE 3.26Å; D62-K113 IonicContact OD2-NZ 2.68Å; D62-K113 PolarHBondContact OD2-NZ 2.96Å
63	Y	92.3	Very high	83	Confident	27 Å²	27	62.7 Å²	62.7	11%	0.106	32%	0.315	C	S	.	.	S	Bend	trans	-80.4	37.6	171	-75.7	-81.5	0	0	0	113.2	E58 P60 N61 Y68 H69 H70 N158 S253 T254 A255	E58-Y63 HydrophobicContact CG-CE2 3.74Å; E58-Y63 PolarHBondContact OE1-OH 3.37Å; E58-Y63 VanDerWaalsContact OE1-OH 3.08Å; P60-Y63 PolarHBondContact O-N 2.86Å; N61-Y63 PolarHBondContact O-N 3.49Å; Y63-Y68 HydrophobicContact CD2-CD2 4.42Å; Y63-Y68 VanDerWaalsContact CE1-CB 3.46Å; Y63-Y68 HydrophobicContact CE1-CG 4.41Å; Y63-Y68 HydrophobicContact CE2-CD2 4.12Å; Y63-H69 WeakPolarHBondContact CE1-O 3.36Å; Y63-H70 HydrophobicContact CD1-CB 4.33Å; Y63-H70 HydrophobicContact CE1-CB 4.48Å; Y63-N158 PolarHBondContact O-ND2 2.82Å; Y63-S253 PolarHBondContact OH-OG 3.13Å; Y63-T254 WeakPolarHBondContact CE2-OG1 3.35Å; Y63-A255 HydrophobicContact CD1-CB 3.71Å; Y63-A255 HydrophobicContact CD2-CB 4.1Å; Y63-A255 HydrophobicContact CE1-CB 3.63Å; Y63-A255 HydrophobicContact CE2-CB 4Å; Y63-A255 HydrophobicContact CG-CB 3.94Å
64	C	92.4	Very high	85.2	Confident	63 Å²	63	59.9 Å²	59.9	43%	0.426	30%	0.304	S	S	.	.	S	Bend	trans	-105.9	178.3	178.6	64.1	0	0	0	0	112.4	N61 D62 G66 G67 N158	N61-C64 PolarHBondContact O-SG 3.24Å; D62-C64 PolarHBondContact O-N 3.46Å; C64-G66 PolarHBondContact O-N 2.85Å; C64-G67 WeakPolarHBondContact O-CA 3.23Å; C64-G67 PolarHBondContact O-N 3.45Å; C64-N158 VanDerWaalsContact C-CG 3.48Å; C64-N158 VanDerWaalsContact O-CB 3.23Å; C64-N158 WeakPolarHBondContact O-CB 3.47Å; C64-N158 PolarHBondContact O-ND2 2.87Å
65	R	93.2	Very high	87.3	Confident	229 Å²	229	58.7 Å²	58.7	86%	0.864	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	128.9	178.7	-175.1	-176	176.3	-168.4	-3.3	110.6	G67 N158	R65-G67 PolarHBondContact O-N 3.04Å; R65-N158 CarbonylContact C-O 3.56Å; R65-N158 WeakPolarHBondContact CA-O 3.42Å; R65-N158 WeakPolarHBondContact CG-O 3.31Å
66	G	93.2	Very high	89.6	Confident	18 Å²	18	56.5 Å²	56.5	19%	0.186	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.3	-13.5	-170.7	0	0	0	0	0	114.2	C64 S114 A115 N158	C64-G66 PolarHBondContact O-N 2.85Å; G66-S114 VanDerWaalsContact CA-OG 3.26Å; G66-S114 WeakPolarHBondContact CA-OG 3.44Å; G66-S114 PolarHBondContact N-OG 3Å; G66-S114 CarbonylContact O-C 3.48Å; G66-S114 PolarHBondContact O-N 3.08Å; G66-A115 WeakPolarHBondContact O-CB 3.48Å; G66-A115 PolarHBondContact O-N 2.86Å; G66-N158 PolarHBondContact N-O 2.86Å
67	G	94.5	Very high	91.1	Very high	5 Å²	5	51 Å²	51	5%	0.052	26%	0.259	C	S	.	.	S	Bend	trans	-87.6	-153.9	178.1	0	0	0	0	0	114.2	D62 C64 R65 K113 S114 H161	D62-G67 CarbonylContact O-C 3.16Å; D62-G67 WeakPolarHBondContact O-CA 3.06Å; C64-G67 WeakPolarHBondContact O-CA 3.23Å; C64-G67 PolarHBondContact O-N 3.45Å; R65-G67 PolarHBondContact O-N 3.04Å; G67-K113 WeakPolarHBondContact O-CA 3.32Å; G67-S114 PolarHBondContact N-OG 3.36Å; G67-S114 PolarHBondContact O-N 3.35Å; G67-S114 PolarHBondContact O-OG 3.26Å; G67-H161 PolarHBondContact O-CE1 3.02Å
68	Y	95.6	Very high	92	Very high	2 Å²	2	52 Å²	52	1%	0.008	27%	0.267	C	S	.	.			trans	-67.1	158.4	-173.9	-65.3	-61.7	0	0	0	113.5	E58 D62 Y63 G90 T94 K113 N158	E58-Y68 HydrophobicContact CB-CD2 4.36Å; E58-Y68 HydrophobicContact CB-CE2 3.66Å; E58-Y68 HydrophobicContact CG-CD2 4.22Å; E58-Y68 HydrophobicContact CG-CE2 4.01Å; D62-Y68 HydrophobicContact CB-CD2 3.35Å; D62-Y68 HydrophobicContact CB-CE2 3.32Å; D62-Y68 HydrophobicContact CB-CG 4.47Å; D62-Y68 PolarHBondContact O-N 3.44Å; D62-Y68 WeakPolarHBondContact OD2-CE2 3.15Å; Y63-Y68 HydrophobicContact CD2-CD2 4.42Å; Y63-Y68 VanDerWaalsContact CE1-CB 3.46Å; Y63-Y68 HydrophobicContact CE1-CG 4.41Å; Y63-Y68 HydrophobicContact CE2-CD2 4.12Å; Y68-G90 PolarHBondContact OH-O 2.9Å; Y68-G90 VanDerWaalsContact OH-O 3.11Å; Y68-T94 HydrophobicContact CD1-CG2 4.06Å; Y68-T94 HydrophobicContact CE1-CG2 4.25Å; Y68-K113 HydrophobicContact CD1-CD 4.33Å; Y68-K113 HydrophobicContact CD1-CG 3.62Å; Y68-K113 HydrophobicContact CE1-CD 4.19Å; Y68-K113 HydrophobicContact CE1-CG 3.86Å; Y68-K113 HydrophobicContact CG-CG 4.21Å; Y68-N158 PolarHBondContact O-ND2 2.94Å
69	H	95	Very high	92.4	Very high	25 Å²	25	54.9 Å²	54.9	12%	0.116	30%	0.297	C	S	.	.			trans	-89.1	132.3	169.4	-163.4	82.2	0	0	0	111.3	Y63 V71 V111 I154 H161	Y63-H69 WeakPolarHBondContact CE1-O 3.36Å; H69-V71 VanDerWaalsContact C-N 3.27Å; H69-V71 HydrophobicContact CB-CG2 4.47Å; H69-V71 PolarHBondContact O-N 3.46Å; H69-V111 HydrophobicContact CB-CG1 3.78Å; H69-I154 HydrophobicContact CB-CD1 4.39Å; H69-H161 AromaticContact CG-CD2 3.91Å; H69-H161 AromaticContact CG-NE2 3.8Å; H69-H161 PolarHBondContact N-CE1 2.81Å; H69-H161 VanDerWaalsContact N-CE1 3.35Å; H69-H161 AromaticContact ND1-CD2 3.13Å; H69-H161 PolarHBondContact ND1-CD2 2.92Å; H69-H161 AromaticContact ND1-CE1 3.86Å; H69-H161 AromaticContact ND1-CG 3.88Å; H69-H161 AromaticContact ND1-NE2 3.1Å; H69-H161 PolarHBondContact ND1-NE2 3.1Å
70	H	93.1	Very high	93	Very high	52 Å²	52	52.7 Å²	52.7	24%	0.241	28%	0.283	C	S	.	.			trans	-76.1	79.1	172.7	-177.8	5.8	0	0	0	111.4	Y63 K72 A255	Y63-H70 HydrophobicContact CD1-CB 4.33Å; Y63-H70 HydrophobicContact CE1-CB 4.48Å; H70-K72 WeakPolarHBondContact CE1-CE 3.47Å; H70-K72 WeakPolarHBondContact NE2-CE 3.3Å; H70-A255 HydrophobicContact CB-CB 3.91Å; H70-A255 VanDerWaalsContact ND1-CB 3.26Å; H70-A255 WeakPolarHBondContact ND1-CB 3.11Å
71	V	93.4	Very high	93.5	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.006	26%	0.264	C	S	.	.			trans	-68.8	146.4	166.6	177.8	0	0	0	0	110.1	H69 F77 V83 W96 V111	H69-V71 VanDerWaalsContact C-N 3.27Å; H69-V71 HydrophobicContact CB-CG2 4.47Å; H69-V71 PolarHBondContact O-N 3.46Å; V71-F77 HydrophobicContact CG1-CE2 4.13Å; V71-F77 HydrophobicContact CG2-CE2 4.4Å; V71-F77 HydrophobicContact CG2-CZ 4.26Å; V71-V83 HydrophobicContact CG1-CG1 4.02Å; V71-V83 HydrophobicContact CG1-CG2 4.08Å; V71-W96 HydrophobicContact CB-CD2 4.23Å; V71-W96 HydrophobicContact CB-CH2 4.27Å; V71-W96 HydrophobicContact CB-CZ2 3.68Å; V71-W96 HydrophobicContact CG1-CD2 3.56Å; V71-W96 HydrophobicContact CG1-CE3 3.86Å; V71-W96 HydrophobicContact CG1-CG 4.07Å; V71-W96 HydrophobicContact CG1-CH2 4.1Å; V71-W96 HydrophobicContact CG1-CZ2 3.82Å; V71-W96 HydrophobicContact CG1-CZ3 4.11Å; V71-V111 HydrophobicContact CG2-CG2 4.26Å
72	K	90.6	Very high	93.8	Very high	94 Å²	94	44.7 Å²	44.7	41%	0.409	24%	0.236	S	C	.	.			trans	-130.6	152.5	170.8	-62.6	154	-169.4	149.8	0	110.6	H70 G74 D75	H70-K72 WeakPolarHBondContact CE1-CE 3.47Å; H70-K72 WeakPolarHBondContact NE2-CE 3.3Å; K72-G74 PolarHBondContact O-N 3.34Å; K72-D75 WeakPolarHBondContact CB-OD2 3.3Å; K72-D75 PolarHBondContact N-OD2 3.18Å; K72-D75 WeakPolarHBondContact O-CB 3.42Å; K72-D75 PolarHBondContact O-N 2.94Å
73	I	89.4	Confident	94	Very high	44 Å²	44	42.4 Å²	42.4	23%	0.226	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	133.6	169.1	-51.9	177	0	0	0	108.8	V83 I84 W96 Q240 V252	I73-V83 WeakPolarHBondContact CG2-O 3.49Å; I73-I84 WeakPolarHBondContact CG2-O 3.38Å; I73-W96 HydrophobicContact CG1-CZ3 4.3Å; I73-Q240 HydrophobicContact CG2-CG 4.48Å; I73-V252 HydrophobicContact CD1-CG1 3.9Å
74	G	88.7	Confident	94	Very high	18 Å²	18	41.3 Å²	41.3	19%	0.186	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.6	-0.9	-173.1	0	0	0	0	0	115.4	K72 V83	K72-G74 PolarHBondContact O-N 3.34Å; G74-V83 PolarHBondContact N-O 3.34Å
75	D	93.6	Very high	93.9	Very high	37 Å²	37	40.3 Å²	40.3	20%	0.198	21%	0.207	C	C	.	.			trans	-70.9	152.4	168.7	-74.2	-23.2	0	0	0	111	K72 F77 H82 V83	K72-D75 WeakPolarHBondContact CB-OD2 3.3Å; K72-D75 PolarHBondContact N-OD2 3.18Å; K72-D75 WeakPolarHBondContact O-CB 3.42Å; K72-D75 PolarHBondContact O-N 2.94Å; D75-F77 HydrophobicContact CB-CD2 4.34Å; D75-F77 HydrophobicContact CB-CE2 3.66Å; D75-F77 HydrophobicContact CB-CZ 4.12Å; D75-H82 WeakPolarHBondContact O-CA 3.37Å; D75-V83 HydrophobicContact CB-CG2 4.46Å; D75-V83 PolarHBondContact O-N 3.11Å
76	L	95.9	Very high	93.8	Very high	56 Å²	56	29.5 Å²	29.5	29%	0.293	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	108.1	180	176.1	58.8	0	0	0	110.4	Y81 H82 I101 Q279	L76-Y81 CarbonylContact C-O 3.58Å; L76-Y81 WeakPolarHBondContact CA-O 3.38Å; L76-H82 HydrophobicContact CD1-CB 4.48Å; L76-I101 HydrophobicContact CD1-CD1 3.69Å; L76-Q279 VanDerWaalsContact CD2-NE2 3.26Å
77	F	96.6	Very high	93.7	Very high	23 Å²	23	31.5 Å²	31.5	10%	0.101	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	149.6	-179.2	-67.7	-75.6	0	0	0	112.3	V71 D75 G79 R80 Y81 V83 M109 F152 I154	V71-F77 HydrophobicContact CG1-CE2 4.13Å; V71-F77 HydrophobicContact CG2-CE2 4.4Å; V71-F77 HydrophobicContact CG2-CZ 4.26Å; D75-F77 HydrophobicContact CB-CD2 4.34Å; D75-F77 HydrophobicContact CB-CE2 3.66Å; D75-F77 HydrophobicContact CB-CZ 4.12Å; F77-G79 PolarHBondContact O-N 3.39Å; F77-R80 PolarHBondContact O-N 3Å; F77-Y81 PolarHBondContact N-O 2.53Å; F77-Y81 PolarHBondContact O-N 3.28Å; F77-V83 HydrophobicContact CD2-CG2 3.81Å; F77-V83 HydrophobicContact CE2-CG2 3.82Å; F77-M109 HydrophobicContact CB-SD 4.2Å; F77-M109 HydrophobicContact CD2-CE 3.71Å; F77-M109 HydrophobicContact CD2-SD 4.13Å; F77-M109 HydrophobicContact CE2-CE 4.09Å; F77-M109 HydrophobicContact CG-CE 4.46Å; F77-M109 HydrophobicContact CG-SD 4.35Å; F77-F152 HydrophobicContact CB-CE2 3.94Å; F77-F152 HydrophobicContact CB-CZ 3.91Å; F77-I154 HydrophobicContact CD1-CD1 4.13Å; F77-I154 HydrophobicContact CD1-CG2 3.78Å; F77-I154 HydrophobicContact CE1-CD1 3.69Å; F77-I154 HydrophobicContact CE1-CG2 4.3Å; F77-I154 HydrophobicContact CZ-CD1 4.4Å
78	N	95.8	Very high	93.4	Very high	90 Å²	90	32.4 Å²	32.4	48%	0.481	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	22.5	-174.8	-151.8	15.4	0	0	0	114.9	R80 Y81 D150 F152	N78-R80 PolarHBondContact O-N 2.83Å; N78-Y81 HydrophobicContact CB-CD2 4.15Å; N78-Y81 HydrophobicContact CB-CE2 4.38Å; N78-D150 PolarHBondContact ND2-OD2 3.45Å; N78-D150 VanDerWaalsContact ND2-OD2 3.16Å; N78-F152 HydrophobicContact CB-CD1 3.94Å; N78-F152 HydrophobicContact CB-CD2 4.06Å; N78-F152 HydrophobicContact CB-CE1 3.96Å; N78-F152 HydrophobicContact CB-CE2 4.08Å; N78-F152 HydrophobicContact CB-CG 4Å; N78-F152 HydrophobicContact CB-CZ 4.04Å
79	G	93.9	Very high	93.1	Very high	60 Å²	60	36.6 Å²	36.6	62%	0.619	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.8	1.4	-169.8	0	0	0	0	0	115.5	F77	F77-G79 PolarHBondContact O-N 3.39Å
80	R	97.3	Very high	92.6	Very high	33 Å²	33	36.7 Å²	36.7	13%	0.125	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.5	-38	-161.7	177.8	176.6	179.4	169.6	1.6	114	F77 N78 D100 I101 Q102 E103	F77-R80 PolarHBondContact O-N 3Å; N78-R80 PolarHBondContact O-N 2.83Å; R80-D100 WeakPolarHBondContact CG-OD1 3.4Å; R80-D100 IonicContact CZ-OD1 2.71Å; R80-D100 IonicContact CZ-OD2 2.69Å; R80-D100 VanDerWaalsContact CZ-OD2 3.31Å; R80-D100 VanDerWaalsContact NE-CG 3.3Å; R80-D100 IonicContact NE-OD1 2.93Å; R80-D100 PolarHBondContact NE-OD1 3.46Å; R80-D100 IonicContact NE-OD2 3.01Å; R80-D100 PolarHBondContact NE-OD2 2.97Å; R80-D100 IonicContact NH2-OD1 2.89Å; R80-D100 IonicContact NH2-OD2 3.91Å; R80-D100 PolarHBondContact NH2-OD2 3.06Å; R80-I101 WeakPolarHBondContact O-CB 3.35Å; R80-I101 VanDerWaalsContact O-CG1 3.3Å; R80-I101 WeakPolarHBondContact O-CG1 3.47Å; R80-I101 PolarHBondContact O-N 2.98Å; R80-Q102 VanDerWaalsContact CD-OE1 3.29Å; R80-Q102 HydrophobicContact CG-CB 4.41Å; R80-Q102 HydrophobicContact CG-CG 4.03Å; R80-Q102 VanDerWaalsContact CZ-OE1 3.28Å; R80-E103 IonicContact CZ-OE1 2.77Å; R80-E103 IonicContact NH2-OE1 3.71Å; R80-E103 PolarHBondContact NH2-OE1 3.46Å
81	Y	98.1	Very high	92.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	110.5	-169.5	-60.3	-65.6	0	0	0	112.1	L76 F77 N78 W99 D100 V107 D150 F152 V165	L76-Y81 CarbonylContact C-O 3.58Å; L76-Y81 WeakPolarHBondContact CA-O 3.38Å; F77-Y81 PolarHBondContact N-O 2.53Å; F77-Y81 PolarHBondContact O-N 3.28Å; N78-Y81 HydrophobicContact CB-CD2 4.15Å; N78-Y81 HydrophobicContact CB-CE2 4.38Å; Y81-W99 WeakPolarHBondContact CA-O 3.37Å; Y81-D100 HydrophobicContact CD1-CB 4.16Å; Y81-D100 HydrophobicContact CE1-CB 3.87Å; Y81-D100 WeakPolarHBondContact CE1-OD2 3.22Å; Y81-V107 HydrophobicContact CD1-CG2 3.69Å; Y81-V107 HydrophobicContact CE1-CG2 3.91Å; Y81-D150 HydrophobicContact CE2-CB 4.39Å; Y81-D150 WeakPolarHBondContact CE2-OD2 3.46Å; Y81-D150 WeakPolarHBondContact OH-CB 3.47Å; Y81-D150 PolarHBondContact OH-OD2 2.95Å; Y81-F152 AromaticContact CD2-CE1 3.6Å; Y81-F152 HydrophobicContact CD2-CE1 3.6Å; Y81-F152 AromaticContact CD2-CZ 3.98Å; Y81-F152 HydrophobicContact CD2-CZ 3.98Å; Y81-F152 HydrophobicContact CE2-CD1 4.33Å; Y81-F152 AromaticContact CE2-CE1 3.66Å; Y81-F152 HydrophobicContact CE2-CE1 3.66Å; Y81-F152 HydrophobicContact CE2-CZ 4.48Å; Y81-V165 HydrophobicContact CD1-CG1 4.44Å; Y81-V165 HydrophobicContact CD2-CG2 4.23Å; Y81-V165 HydrophobicContact CE1-CG1 3.84Å; Y81-V165 HydrophobicContact CE1-CG2 4.39Å; Y81-V165 HydrophobicContact CE2-CG2 3.82Å
82	H	95.3	Very high	92.2	Very high	14 Å²	14	44.3 Å²	44.3	7%	0.065	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	120.6	179.1	-170.6	88.1	0	0	0	111.4	D75 L76 A98 W99 I101 L283	D75-H82 WeakPolarHBondContact O-CA 3.37Å; L76-H82 HydrophobicContact CD1-CB 4.48Å; H82-A98 CarbonylContact O-C 3.57Å; H82-A98 WeakPolarHBondContact O-CA 3.38Å; H82-A98 WeakPolarHBondContact O-CB 3.34Å; H82-W99 PolarHBondContact N-O 3.3Å; H82-W99 PolarHBondContact O-N 2.88Å; H82-I101 HydrophobicContact CB-CD1 4.38Å; H82-L283 WeakPolarHBondContact CD2-CD2 3.46Å
83	V	95.8	Very high	92.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	127.2	-174	-178.8	0	0	0	0	111.9	V71 I73 G74 D75 F77 W96 M109	V71-V83 HydrophobicContact CG1-CG1 4.02Å; V71-V83 HydrophobicContact CG1-CG2 4.08Å; I73-V83 WeakPolarHBondContact CG2-O 3.49Å; G74-V83 PolarHBondContact N-O 3.34Å; D75-V83 HydrophobicContact CB-CG2 4.46Å; D75-V83 PolarHBondContact O-N 3.11Å; F77-V83 HydrophobicContact CD2-CG2 3.81Å; F77-V83 HydrophobicContact CE2-CG2 3.82Å; V83-W96 HydrophobicContact CG1-CB 4.3Å; V83-W96 HydrophobicContact CG1-CD2 4.11Å; V83-W96 HydrophobicContact CG1-CE3 3.42Å; V83-W96 VanDerWaalsContact CG1-CE3 3.42Å; V83-W96 HydrophobicContact CG1-CG 4.47Å; V83-W96 HydrophobicContact CG1-CZ3 4.12Å; V83-M109 HydrophobicContact CG2-CE 3.81Å
84	I	92.1	Very high	92.6	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.021	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	-43.4	-176.4	-62.6	157.1	0	0	0	112.6	I73 L97 W99 F106 A233 A236	I73-I84 WeakPolarHBondContact CG2-O 3.38Å; I84-L97 HydrophobicContact CB-CD2 4.4Å; I84-L97 HydrophobicContact CB-CG 4.42Å; I84-L97 HydrophobicContact CD1-CD2 4.45Å; I84-L97 HydrophobicContact CD1-CG 4.27Å; I84-L97 HydrophobicContact CG2-CD2 4.26Å; I84-L97 PolarHBondContact N-O 2.87Å; I84-W99 HydrophobicContact CD1-CB 3.99Å; I84-F106 HydrophobicContact CD1-CD1 3.68Å; I84-F106 HydrophobicContact CD1-CE1 3.59Å; I84-A233 HydrophobicContact CD1-CB 4.38Å; I84-A233 HydrophobicContact CG2-CB 4.1Å; I84-A236 HydrophobicContact CG2-CB 3.92Å
85	R	91.6	Very high	92.9	Very high	41 Å²	41	39.4 Å²	39.4	16%	0.155	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	165.9	177.2	59.7	176.1	-69	161.9	-3.7	110.7	W96 L97 M232 A236	R85-W96 CarbonylContact O-C 3.19Å; R85-W96 WeakPolarHBondContact O-CA 3.43Å; R85-L97 HydrophobicContact CG-CB 3.7Å; R85-L97 HydrophobicContact CG-CD2 3.91Å; R85-L97 HydrophobicContact CG-CG 4.44Å; R85-L97 PolarHBondContact N-O 3.47Å; R85-L97 PolarHBondContact O-N 3.19Å; R85-M232 VanDerWaalsContact NH1-CG 3.32Å; R85-A236 HydrophobicContact CB-CB 4.1Å; R85-A236 HydrophobicContact CG-CB 4.42Å
86	K	91.4	Very high	93.1	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.009	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	147.4	164.6	-163.5	164.1	130.9	-161.5	0	109.8	E58 W96 S250 A251 V252	E58-K86 IonicContact OE1-NZ 2.9Å; E58-K86 PolarHBondContact OE1-NZ 2.94Å; E58-K86 WeakPolarHBondContact OE2-CE 3.37Å; E58-K86 IonicContact OE2-NZ 2.57Å; E58-K86 PolarHBondContact OE2-NZ 2.87Å; K86-W96 HydrophobicContact CB-CD2 4.27Å; K86-W96 HydrophobicContact CB-CE3 3.88Å; K86-W96 HydrophobicContact CB-CH2 3.95Å; K86-W96 HydrophobicContact CB-CZ2 4.32Å; K86-W96 HydrophobicContact CB-CZ3 3.72Å; K86-W96 HydrophobicContact CD-CH2 3.97Å; K86-W96 HydrophobicContact CD-CZ2 3.82Å; K86-W96 HydrophobicContact CG-CD2 4.37Å; K86-W96 HydrophobicContact CG-CE3 4.46Å; K86-W96 HydrophobicContact CG-CH2 4.25Å; K86-W96 HydrophobicContact CG-CZ2 4.13Å; K86-W96 HydrophobicContact CG-CZ3 4.41Å; K86-S250 WeakPolarHBondContact CB-O 3.38Å; K86-S250 VanDerWaalsContact CD-O 3.3Å; K86-S250 WeakPolarHBondContact CD-O 3.28Å; K86-S250 WeakPolarHBondContact CE-O 3.39Å; K86-S250 PolarHBondContact NZ-O 2.85Å; K86-A251 VanDerWaalsContact CB-O 3.32Å; K86-A251 WeakPolarHBondContact CB-O 3.36Å; K86-A251 PolarHBondContact N-O 2.76Å; K86-V252 WeakPolarHBondContact CD-O 3.2Å; K86-V252 PolarHBondContact NZ-O 2.99Å
87	L	90	Very high	93.1	Very high	60 Å²	60	35 Å²	35	31%	0.314	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	-31.6	174.2	-70.5	173	0	0	0	111.5	V95 L97 A108 M232	L87-V95 HydrophobicContact CB-CG1 4.33Å; L87-V95 HydrophobicContact CD1-CG1 4.46Å; L87-V95 PolarHBondContact N-O 2.88Å; L87-L97 HydrophobicContact CD1-CB 3.95Å; L87-L97 HydrophobicContact CD1-CD1 4.37Å; L87-L97 HydrophobicContact CD2-CB 4.05Å; L87-L97 HydrophobicContact CG-CB 3.87Å; L87-A108 HydrophobicContact CD1-CB 4.09Å; L87-M232 HydrophobicContact CD2-CE 4.36Å; L87-M232 HydrophobicContact CD2-SD 3.66Å
88	G	88.1	Confident	93.1	Very high	24 Å²	24	34 Å²	34	25%	0.247	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.9	-178.2	177.6	0	0	0	0	0	112.4	V95	G88-V95 PolarHBondContact N-O 2.86Å; G88-V95 PolarHBondContact O-N 3Å
89	W	89.4	Confident	93.2	Very high	91 Å²	91	29.8 Å²	29.8	35%	0.345	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	166.6	175.1	68.4	-78.9	0	0	0	109.6	E56 E58 T94	E56-W89 HydrophobicContact CB-CZ2 4.39Å; E56-W89 PolarHBondContact O-NE1 3.33Å; E58-W89 HydrophobicContact CB-CD2 3.8Å; E58-W89 HydrophobicContact CB-CE3 3.52Å; E58-W89 HydrophobicContact CB-CG 4.25Å; E58-W89 HydrophobicContact CB-CZ3 4Å; W89-T94 HydrophobicContact CB-CG2 4.11Å
90	G	85.6	Confident	93.3	Very high	27 Å²	27	27 Å²	27	28%	0.278	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	169.9	169.3	0	0	0	0	0	109.5	Y68 F92 S93	Y68-G90 PolarHBondContact OH-O 2.9Å; Y68-G90 VanDerWaalsContact OH-O 3.11Å; G90-F92 PolarHBondContact O-N 2.93Å; G90-S93 PolarHBondContact N-O 3.35Å; G90-S93 PolarHBondContact O-N 2.88Å
91	H	85.7	Confident	93.2	Very high	103 Å²	103	27.8 Å²	27.8	48%	0.477	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.9	-26.5	-170.3	178.3	-105.9	0	0	0	115.6	K113 Y118	H91-K113 WeakPolarHBondContact O-CD 3.37Å; H91-K113 WeakPolarHBondContact O-CE 3.48Å; H91-K113 PolarHBondContact O-NZ 3.02Å; H91-Y118 PolarHBondContact CE1-OH 3.36Å; H91-Y118 VanDerWaalsContact CE1-OH 3.31Å
92	F	90.9	Very high	93	Very high	110 Å²	110	33.1 Å²	33.1	48%	0.482	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-20.4	-177.7	-47.9	-65.4	0	0	0	115	G90 K113 Y118	G90-F92 PolarHBondContact O-N 2.93Å; F92-K113 PolarHBondContact O-N 2.62Å; F92-Y118 AromaticContact CD1-CD1 3.75Å; F92-Y118 HydrophobicContact CD1-CD1 3.75Å; F92-Y118 AromaticContact CD1-CE1 3.47Å; F92-Y118 HydrophobicContact CD1-CE1 3.47Å; F92-Y118 VanDerWaalsContact CD1-CE1 3.47Å; F92-Y118 HydrophobicContact CE1-CD1 4.38Å; F92-Y118 AromaticContact CE1-CE1 3.81Å; F92-Y118 HydrophobicContact CE1-CE1 3.81Å
93	S	94.4	Very high	93	Very high	13 Å²	13	37.6 Å²	37.6	9%	0.091	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	166.4	-168.8	69.1	0	0	0	0	114.5	G90 V111	G90-S93 PolarHBondContact N-O 3.35Å; G90-S93 PolarHBondContact O-N 2.88Å; S93-V111 CarbonylContact C-O 3.59Å; S93-V111 VanDerWaalsContact CA-O 3.26Å; S93-V111 WeakPolarHBondContact CA-O 3.48Å; S93-V111 VanDerWaalsContact CB-O 3.3Å; S93-V111 WeakPolarHBondContact CB-O 3.29Å
94	T	95	Very high	93	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	143.9	167.5	57.8	0	0	0	0	110.2	Y68 W89 W96 V111	Y68-T94 HydrophobicContact CD1-CG2 4.06Å; Y68-T94 HydrophobicContact CE1-CG2 4.25Å; W89-T94 HydrophobicContact CB-CG2 4.11Å; T94-W96 PolarHBondContact OG1-NE1 2.88Å; T94-V111 PolarHBondContact N-O 2.74Å; T94-V111 PolarHBondContact O-N 2.84Å
95	V	95.7	Very high	93.1	Very high	39 Å²	39	47 Å²	47	24%	0.236	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	130	-175.4	-173.5	0	0	0	0	110.3	L87 G88 A108 M109 K110	L87-V95 HydrophobicContact CB-CG1 4.33Å; L87-V95 HydrophobicContact CD1-CG1 4.46Å; L87-V95 PolarHBondContact N-O 2.88Å; G88-V95 PolarHBondContact N-O 2.86Å; G88-V95 PolarHBondContact O-N 3Å; V95-A108 HydrophobicContact CG1-CB 4.31Å; V95-M109 WeakPolarHBondContact CA-O 3.26Å; V95-K110 HydrophobicContact CG2-CB 4.36Å; V95-K110 HydrophobicContact CG2-CG 4.39Å
96	W	96.4	Very high	93.3	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.008	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	137.2	-169.1	-64.5	83.8	0	0	0	112.3	V71 I73 V83 R85 K86 T94 A98 A108 M109	V71-W96 HydrophobicContact CB-CD2 4.23Å; V71-W96 HydrophobicContact CB-CH2 4.27Å; V71-W96 HydrophobicContact CB-CZ2 3.68Å; V71-W96 HydrophobicContact CG1-CD2 3.56Å; V71-W96 HydrophobicContact CG1-CE3 3.86Å; V71-W96 HydrophobicContact CG1-CG 4.07Å; V71-W96 HydrophobicContact CG1-CH2 4.1Å; V71-W96 HydrophobicContact CG1-CZ2 3.82Å; V71-W96 HydrophobicContact CG1-CZ3 4.11Å; I73-W96 HydrophobicContact CG1-CZ3 4.3Å; V83-W96 HydrophobicContact CG1-CB 4.3Å; V83-W96 HydrophobicContact CG1-CD2 4.11Å; V83-W96 HydrophobicContact CG1-CE3 3.42Å; V83-W96 VanDerWaalsContact CG1-CE3 3.42Å; V83-W96 HydrophobicContact CG1-CG 4.47Å; V83-W96 HydrophobicContact CG1-CZ3 4.12Å; R85-W96 CarbonylContact O-C 3.19Å; R85-W96 WeakPolarHBondContact O-CA 3.43Å; K86-W96 HydrophobicContact CB-CD2 4.27Å; K86-W96 HydrophobicContact CB-CE3 3.88Å; K86-W96 HydrophobicContact CB-CH2 3.95Å; K86-W96 HydrophobicContact CB-CZ2 4.32Å; K86-W96 HydrophobicContact CB-CZ3 3.72Å; K86-W96 HydrophobicContact CD-CH2 3.97Å; K86-W96 HydrophobicContact CD-CZ2 3.82Å; K86-W96 HydrophobicContact CG-CD2 4.37Å; K86-W96 HydrophobicContact CG-CE3 4.46Å; K86-W96 HydrophobicContact CG-CH2 4.25Å; K86-W96 HydrophobicContact CG-CZ2 4.13Å; K86-W96 HydrophobicContact CG-CZ3 4.41Å; T94-W96 PolarHBondContact OG1-NE1 2.88Å; W96-A98 PolarHBondContact O-N 2.97Å; W96-A108 CarbonylContact O-C 3.56Å; W96-A108 WeakPolarHBondContact O-CA 3.25Å; W96-M109 HydrophobicContact CB-CE 4.22Å; W96-M109 PolarHBondContact N-O 2.81Å; W96-M109 PolarHBondContact O-N 3.08Å
97	L	96.6	Very high	93.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	124.1	165.8	-174.5	65.7	0	0	0	108	I84 R85 L87 F106 V168 I229 M232 A233	I84-L97 HydrophobicContact CB-CD2 4.4Å; I84-L97 HydrophobicContact CB-CG 4.42Å; I84-L97 HydrophobicContact CD1-CD2 4.45Å; I84-L97 HydrophobicContact CD1-CG 4.27Å; I84-L97 HydrophobicContact CG2-CD2 4.26Å; I84-L97 PolarHBondContact N-O 2.87Å; R85-L97 HydrophobicContact CG-CB 3.7Å; R85-L97 HydrophobicContact CG-CD2 3.91Å; R85-L97 HydrophobicContact CG-CG 4.44Å; R85-L97 PolarHBondContact N-O 3.47Å; R85-L97 PolarHBondContact O-N 3.19Å; L87-L97 HydrophobicContact CD1-CB 3.95Å; L87-L97 HydrophobicContact CD1-CD1 4.37Å; L87-L97 HydrophobicContact CD2-CB 4.05Å; L87-L97 HydrophobicContact CG-CB 3.87Å; L97-F106 HydrophobicContact CD1-CB 4.1Å; L97-F106 HydrophobicContact CD1-CD1 4.36Å; L97-F106 HydrophobicContact CG-CD1 4.5Å; L97-V168 HydrophobicContact CD1-CG1 4.21Å; L97-V168 HydrophobicContact CD1-CG2 3.72Å; L97-I229 HydrophobicContact CD1-CG2 4.04Å; L97-M232 HydrophobicContact CD2-SD 4.21Å; L97-A233 HydrophobicContact CD2-CB 4.28Å
98	A	97.1	Very high	94	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	157.3	174.8	0	0	0	0	0	111.5	H82 W96 F106 V107	H82-A98 CarbonylContact O-C 3.57Å; H82-A98 WeakPolarHBondContact O-CA 3.38Å; H82-A98 WeakPolarHBondContact O-CB 3.34Å; W96-A98 PolarHBondContact O-N 2.97Å; A98-F106 CarbonylContact O-C 3.6Å; A98-F106 WeakPolarHBondContact O-CA 3.44Å; A98-V107 HydrophobicContact CB-CG2 4.08Å; A98-V107 PolarHBondContact N-O 3.14Å; A98-V107 PolarHBondContact O-N 2.89Å
99	W	96.4	Very high	94.5	Very high	3 Å²	3	42.1 Å²	42.1	1%	0.011	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	127.3	170.3	178.8	-101.5	0	0	0	110.5	Y81 H82 I84 I101 K104 F106 L283 M290	Y81-W99 WeakPolarHBondContact CA-O 3.37Å; H82-W99 PolarHBondContact N-O 3.3Å; H82-W99 PolarHBondContact O-N 2.88Å; I84-W99 HydrophobicContact CD1-CB 3.99Å; W99-I101 PolarHBondContact O-N 2.98Å; W99-K104 HydrophobicContact CH2-CB 4.35Å; W99-K104 WeakPolarHBondContact CH2-O 3.49Å; W99-K104 VanDerWaalsContact CZ2-C 3.47Å; W99-K104 VanDerWaalsContact CZ2-CA 3.48Å; W99-K104 HydrophobicContact CZ2-CB 4.03Å; W99-F106 AromaticContact CE3-CD1 3.78Å; W99-F106 HydrophobicContact CE3-CD1 3.78Å; W99-F106 HydrophobicContact CE3-CD2 4.12Å; W99-F106 AromaticContact CE3-CE1 3.68Å; W99-F106 HydrophobicContact CE3-CE1 3.68Å; W99-F106 HydrophobicContact CE3-CE2 4.03Å; W99-F106 AromaticContact CE3-CG 4Å; W99-F106 HydrophobicContact CE3-CG 4Å; W99-F106 AromaticContact CE3-CZ 3.81Å; W99-F106 HydrophobicContact CE3-CZ 3.81Å; W99-F106 HydrophobicContact CZ3-CD1 4.39Å; W99-F106 AromaticContact CZ3-CD2 3.9Å; W99-F106 HydrophobicContact CZ3-CD2 3.9Å; W99-F106 HydrophobicContact CZ3-CE1 4.19Å; W99-F106 AromaticContact CZ3-CE2 3.68Å; W99-F106 HydrophobicContact CZ3-CE2 3.68Å; W99-F106 HydrophobicContact CZ3-CG 4.25Å; W99-F106 AromaticContact CZ3-CZ 3.83Å; W99-F106 HydrophobicContact CZ3-CZ 3.83Å; W99-L283 HydrophobicContact CB-CD1 4.03Å; W99-L283 HydrophobicContact CD2-CD1 4.17Å; W99-L283 HydrophobicContact CG-CD1 3.64Å; W99-M290 HydrophobicContact CH2-CE 3.46Å; W99-M290 VanDerWaalsContact CH2-CE 3.46Å; W99-M290 HydrophobicContact CH2-SD 3.83Å; W99-M290 HydrophobicContact CZ2-CE 4.18Å; W99-M290 HydrophobicContact CZ3-CE 3.91Å
100	D	97.4	Very high	94.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	105.5	170.2	-169.8	-25.2	0	0	0	109.8	R80 Y81 Q102 E103 K104 R105 V107	R80-D100 WeakPolarHBondContact CG-OD1 3.4Å; R80-D100 IonicContact CZ-OD1 2.71Å; R80-D100 IonicContact CZ-OD2 2.69Å; R80-D100 VanDerWaalsContact CZ-OD2 3.31Å; R80-D100 VanDerWaalsContact NE-CG 3.3Å; R80-D100 IonicContact NE-OD1 2.93Å; R80-D100 PolarHBondContact NE-OD1 3.46Å; R80-D100 IonicContact NE-OD2 3.01Å; R80-D100 PolarHBondContact NE-OD2 2.97Å; R80-D100 IonicContact NH2-OD1 2.89Å; R80-D100 IonicContact NH2-OD2 3.91Å; R80-D100 PolarHBondContact NH2-OD2 3.06Å; Y81-D100 HydrophobicContact CD1-CB 4.16Å; Y81-D100 HydrophobicContact CE1-CB 3.87Å; Y81-D100 WeakPolarHBondContact CE1-OD2 3.22Å; D100-Q102 PolarHBondContact O-N 3.18Å; D100-Q102 WeakPolarHBondContact OD1-CB 3.16Å; D100-Q102 PolarHBondContact OD1-N 2.98Å; D100-E103 HydrophobicContact CB-CB 4.34Å; D100-E103 PolarHBondContact OD1-N 3.45Å; D100-E103 VanDerWaalsContact OD1-N 3.12Å; D100-E103 WeakPolarHBondContact OD2-CG 3.44Å; D100-K104 WeakPolarHBondContact O-CA 3.42Å; D100-K104 PolarHBondContact O-N 2.95Å; D100-R105 HydrophobicContact CB-CG 4.22Å; D100-R105 WeakPolarHBondContact CB-O 3.49Å; D100-R105 PolarHBondContact N-O 3.34Å; D100-V107 HydrophobicContact CB-CG1 4.25Å
101	I	94.6	Very high	95.4	Very high	51 Å²	51	37.6 Å²	37.6	26%	0.262	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-23.9	-178.4	-64.2	172	0	0	0	111.9	L76 R80 H82 W99 K104	L76-I101 HydrophobicContact CD1-CD1 3.69Å; R80-I101 WeakPolarHBondContact O-CB 3.35Å; R80-I101 VanDerWaalsContact O-CG1 3.3Å; R80-I101 WeakPolarHBondContact O-CG1 3.47Å; R80-I101 PolarHBondContact O-N 2.98Å; H82-I101 HydrophobicContact CB-CD1 4.38Å; W99-I101 PolarHBondContact O-N 2.98Å; I101-K104 PolarHBondContact O-NZ 2.82Å
102	Q	94.6	Very high	96	Very high	112 Å²	112	33 Å²	33	52%	0.523	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-62	178.7	-66.1	175.5	-1.1	0	0	110.2	R80 D100 K104	R80-Q102 VanDerWaalsContact CD-OE1 3.29Å; R80-Q102 HydrophobicContact CG-CB 4.41Å; R80-Q102 HydrophobicContact CG-CG 4.03Å; R80-Q102 VanDerWaalsContact CZ-OE1 3.28Å; D100-Q102 PolarHBondContact O-N 3.18Å; D100-Q102 WeakPolarHBondContact OD1-CB 3.16Å; D100-Q102 PolarHBondContact OD1-N 2.98Å; Q102-K104 VanDerWaalsContact C-N 3.29Å; Q102-K104 PolarHBondContact O-N 3.26Å; Q102-K104 PolarHBondContact O-NZ 2.79Å
103	E	94.9	Very high	96.3	Very high	107 Å²	107	28 Å²	28	50%	0.5	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-3.8	-173	-49.7	-67.1	168.2	0	0	114.5	R80 D100 R105	R80-E103 IonicContact CZ-OE1 2.77Å; R80-E103 IonicContact NH2-OE1 3.71Å; R80-E103 PolarHBondContact NH2-OE1 3.46Å; D100-E103 HydrophobicContact CB-CB 4.34Å; D100-E103 PolarHBondContact OD1-N 3.45Å; D100-E103 VanDerWaalsContact OD1-N 3.12Å; D100-E103 WeakPolarHBondContact OD2-CG 3.44Å; E103-R105 HydrophobicContact CB-CG 3.93Å; E103-R105 PolarHBondContact O-N 3.01Å
104	K	94.2	Very high	96.4	Very high	106 Å²	106	28 Å²	28	46%	0.461	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	41.3	179.3	-43.3	-61.3	-177	-91.3	0	113.7	W99 D100 I101 Q102	W99-K104 HydrophobicContact CH2-CB 4.35Å; W99-K104 WeakPolarHBondContact CH2-O 3.49Å; W99-K104 VanDerWaalsContact CZ2-C 3.47Å; W99-K104 VanDerWaalsContact CZ2-CA 3.48Å; W99-K104 HydrophobicContact CZ2-CB 4.03Å; D100-K104 WeakPolarHBondContact O-CA 3.42Å; D100-K104 PolarHBondContact O-N 2.95Å; I101-K104 PolarHBondContact O-NZ 2.82Å; Q102-K104 VanDerWaalsContact C-N 3.29Å; Q102-K104 PolarHBondContact O-N 3.26Å; Q102-K104 PolarHBondContact O-NZ 2.79Å
105	R	94.6	Very high	96.5	Very high	95 Å²	95	29.1 Å²	29.1	36%	0.358	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	158.9	-179.5	64.7	-177.5	168.9	167.1	-8	112.7	D100 E103 V107	D100-R105 HydrophobicContact CB-CG 4.22Å; D100-R105 WeakPolarHBondContact CB-O 3.49Å; D100-R105 PolarHBondContact N-O 3.34Å; E103-R105 HydrophobicContact CB-CG 3.93Å; E103-R105 PolarHBondContact O-N 3.01Å; R105-V107 HydrophobicContact CG-CG1 4.23Å
106	F	96.7	Very high	96.4	Very high	16 Å²	16	34.7 Å²	34.7	7%	0.07	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	146.4	167	-60.2	-80.5	0	0	0	111	I84 L97 A98 W99 V168 I229 K230 A233	I84-F106 HydrophobicContact CD1-CD1 3.68Å; I84-F106 HydrophobicContact CD1-CE1 3.59Å; L97-F106 HydrophobicContact CD1-CB 4.1Å; L97-F106 HydrophobicContact CD1-CD1 4.36Å; L97-F106 HydrophobicContact CG-CD1 4.5Å; A98-F106 CarbonylContact O-C 3.6Å; A98-F106 WeakPolarHBondContact O-CA 3.44Å; W99-F106 AromaticContact CE3-CD1 3.78Å; W99-F106 HydrophobicContact CE3-CD1 3.78Å; W99-F106 HydrophobicContact CE3-CD2 4.12Å; W99-F106 AromaticContact CE3-CE1 3.68Å; W99-F106 HydrophobicContact CE3-CE1 3.68Å; W99-F106 HydrophobicContact CE3-CE2 4.03Å; W99-F106 AromaticContact CE3-CG 4Å; W99-F106 HydrophobicContact CE3-CG 4Å; W99-F106 AromaticContact CE3-CZ 3.81Å; W99-F106 HydrophobicContact CE3-CZ 3.81Å; W99-F106 HydrophobicContact CZ3-CD1 4.39Å; W99-F106 AromaticContact CZ3-CD2 3.9Å; W99-F106 HydrophobicContact CZ3-CD2 3.9Å; W99-F106 HydrophobicContact CZ3-CE1 4.19Å; W99-F106 AromaticContact CZ3-CE2 3.68Å; W99-F106 HydrophobicContact CZ3-CE2 3.68Å; W99-F106 HydrophobicContact CZ3-CG 4.25Å; W99-F106 AromaticContact CZ3-CZ 3.83Å; W99-F106 HydrophobicContact CZ3-CZ 3.83Å; F106-V168 HydrophobicContact CB-CG2 3.92Å; F106-I229 HydrophobicContact CB-CG2 3.6Å; F106-I229 HydrophobicContact CD1-CG2 4.15Å; F106-I229 HydrophobicContact CD2-CB 4.35Å; F106-I229 HydrophobicContact CD2-CG2 3.66Å; F106-I229 HydrophobicContact CE2-CG2 4.39Å; F106-I229 HydrophobicContact CG-CG2 3.52Å; F106-K230 HydrophobicContact CE2-CG 3.71Å; F106-K230 HydrophobicContact CZ-CG 4.36Å; F106-A233 HydrophobicContact CD1-CB 4.32Å; F106-A233 HydrophobicContact CE1-CB 3.46Å; F106-A233 VanDerWaalsContact CE1-CB 3.46Å; F106-A233 HydrophobicContact CZ-CB 3.79Å
107	V	97.9	Very high	96.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	154.7	178.9	-63.5	0	0	0	0	110.8	Y81 A98 D100 R105 L149 V165 F166 V168	Y81-V107 HydrophobicContact CD1-CG2 3.69Å; Y81-V107 HydrophobicContact CE1-CG2 3.91Å; A98-V107 HydrophobicContact CB-CG2 4.08Å; A98-V107 PolarHBondContact N-O 3.14Å; A98-V107 PolarHBondContact O-N 2.89Å; D100-V107 HydrophobicContact CB-CG1 4.25Å; R105-V107 HydrophobicContact CG-CG1 4.23Å; V107-L149 HydrophobicContact CG1-CD1 3.75Å; V107-V165 HydrophobicContact CB-CG1 3.59Å; V107-V165 HydrophobicContact CG1-CG1 3.96Å; V107-V165 HydrophobicContact CG2-CG1 3.65Å; V107-F166 WeakPolarHBondContact CA-O 3.44Å; V107-F166 WeakPolarHBondContact CB-O 3.41Å; V107-V168 VanDerWaalsContact C-CG2 3.49Å
108	A	98	Very high	96.1	Very high	10 Å²	10	41.3 Å²	41.3	8%	0.083	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	119.6	171.6	0	0	0	0	0	110	L87 V95 W96 F166	L87-A108 HydrophobicContact CD1-CB 4.09Å; V95-A108 HydrophobicContact CG1-CB 4.31Å; W96-A108 CarbonylContact O-C 3.56Å; W96-A108 WeakPolarHBondContact O-CA 3.25Å; A108-F166 HydrophobicContact CB-CB 4.46Å; A108-F166 PolarHBondContact N-O 3.34Å; A108-F166 PolarHBondContact O-N 2.92Å
109	M	98	Very high	96	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	108.3	-177.3	-175.6	-176.9	65.6	0	0	110.6	F77 V83 V95 W96 V111 F152 M164 V165	F77-M109 HydrophobicContact CB-SD 4.2Å; F77-M109 HydrophobicContact CD2-CE 3.71Å; F77-M109 HydrophobicContact CD2-SD 4.13Å; F77-M109 HydrophobicContact CE2-CE 4.09Å; F77-M109 HydrophobicContact CG-CE 4.46Å; F77-M109 HydrophobicContact CG-SD 4.35Å; V83-M109 HydrophobicContact CG2-CE 3.81Å; V95-M109 WeakPolarHBondContact CA-O 3.26Å; W96-M109 HydrophobicContact CB-CE 4.22Å; W96-M109 PolarHBondContact N-O 2.81Å; W96-M109 PolarHBondContact O-N 3.08Å; M109-V111 HydrophobicContact CE-CG2 3.86Å; M109-V111 HydrophobicContact CG-CG2 4.09Å; M109-V111 HydrophobicContact SD-CG2 4.36Å; M109-F152 HydrophobicContact SD-CZ 4.02Å; M109-M164 CarbonylContact C-O 3.52Å; M109-M164 WeakPolarHBondContact CA-O 3.43Å; M109-V165 HydrophobicContact CG-CG2 4.48Å
110	K	97.6	Very high	95.9	Very high	22 Å²	22	48.3 Å²	48.3	10%	0.096	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	118.2	174	-178.1	175.8	172.4	-173.9	0	108.6	V95 E125 C163 M164 F166 D500	V95-K110 HydrophobicContact CG2-CB 4.36Å; V95-K110 HydrophobicContact CG2-CG 4.39Å; K110-E125 IonicContact NZ-OE1 3.31Å; K110-E125 PolarHBondContact NZ-OE1 3.42Å; K110-E125 IonicContact NZ-OE2 2.97Å; K110-E125 PolarHBondContact NZ-OE2 2.68Å; K110-C163 WeakPolarHBondContact O-CA 3.45Å; K110-M164 HydrophobicContact CB-CB 4.41Å; K110-M164 HydrophobicContact CD-CE 3.79Å; K110-M164 HydrophobicContact CG-CE 4.22Å; K110-M164 PolarHBondContact N-O 3.41Å; K110-M164 PolarHBondContact O-N 3.48Å; K110-F166 HydrophobicContact CB-CD2 4.34Å; K110-F166 HydrophobicContact CB-CE2 3.87Å; K110-F166 HydrophobicContact CD-CE2 4.06Å; K110-D500 IonicContact NZ-OD1 3.78Å; K110-D500 PolarHBondContact NZ-OD1 2.73Å
111	V	97.8	Very high	95.7	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.006	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	113.8	179.7	-174.4	0	0	0	0	109.3	H69 V71 S93 T94 M109 I154 H161	H69-V111 HydrophobicContact CB-CG1 3.78Å; V71-V111 HydrophobicContact CG2-CG2 4.26Å; S93-V111 CarbonylContact C-O 3.59Å; S93-V111 VanDerWaalsContact CA-O 3.26Å; S93-V111 WeakPolarHBondContact CA-O 3.48Å; S93-V111 VanDerWaalsContact CB-O 3.3Å; S93-V111 WeakPolarHBondContact CB-O 3.29Å; T94-V111 PolarHBondContact N-O 2.74Å; T94-V111 PolarHBondContact O-N 2.84Å; M109-V111 HydrophobicContact CE-CG2 3.86Å; M109-V111 HydrophobicContact CG-CG2 4.09Å; M109-V111 HydrophobicContact SD-CG2 4.36Å; V111-I154 HydrophobicContact CG1-CD1 3.97Å; V111-H161 HydrophobicContact CG1-CB 4.32Å
112	V	97.5	Very high	95.8	Very high	6 Å²	6	49.6 Å²	49.6	4%	0.036	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	155	-170.3	-171.4	0	0	0	0	111.7	A122 H161 V162 M164	V112-A122 HydrophobicContact CB-CB 4.48Å; V112-A122 HydrophobicContact CG1-CB 4.2Å; V112-A122 HydrophobicContact CG2-CB 3.98Å; V112-H161 WeakPolarHBondContact O-CB 3.4Å; V112-H161 PolarHBondContact O-ND1 3.45Å; V112-V162 HydrophobicContact CB-CB 4.46Å; V112-V162 HydrophobicContact CG2-CB 4.4Å; V112-V162 PolarHBondContact N-O 2.89Å; V112-M164 HydrophobicContact CG2-CE 3.85Å
113	K	96.7	Very high	95.9	Very high	4 Å²	4	46.8 Å²	46.8	2%	0.017	23%	0.227	C	C	.	.			trans	-56.3	155.4	165.7	-75.4	-173.5	173.4	171.7	0	111.2	D62 G67 Y68 H91 F92 Y118	D62-K113 VanDerWaalsContact CG-NZ 3.3Å; D62-K113 IonicContact OD1-NZ 3.6Å; D62-K113 WeakPolarHBondContact OD2-CE 3.26Å; D62-K113 IonicContact OD2-NZ 2.68Å; D62-K113 PolarHBondContact OD2-NZ 2.96Å; G67-K113 WeakPolarHBondContact O-CA 3.32Å; Y68-K113 HydrophobicContact CD1-CD 4.33Å; Y68-K113 HydrophobicContact CD1-CG 3.62Å; Y68-K113 HydrophobicContact CE1-CD 4.19Å; Y68-K113 HydrophobicContact CE1-CG 3.86Å; Y68-K113 HydrophobicContact CG-CG 4.21Å; H91-K113 WeakPolarHBondContact O-CD 3.37Å; H91-K113 WeakPolarHBondContact O-CE 3.48Å; H91-K113 PolarHBondContact O-NZ 3.02Å; F92-K113 PolarHBondContact O-N 2.62Å; K113-Y118 HydrophobicContact CB-CD2 3.34Å; K113-Y118 HydrophobicContact CB-CE2 3.88Å; K113-Y118 HydrophobicContact CB-CG 4.05Å; K113-Y118 HydrophobicContact CD-CD2 4Å; K113-Y118 HydrophobicContact CD-CE2 3.59Å; K113-Y118 HydrophobicContact CG-CD2 4.28Å; K113-Y118 HydrophobicContact CG-CE2 4.37Å
114	S	96.9	Very high	95.9	Very high	15 Å²	15	43.5 Å²	43.5	11%	0.105	21%	0.213	C	C	.	.			trans	-98	3.9	-168	45.4	0	0	0	0	115.8	G66 G67 N158 T160 H161	G66-S114 VanDerWaalsContact CA-OG 3.26Å; G66-S114 WeakPolarHBondContact CA-OG 3.44Å; G66-S114 PolarHBondContact N-OG 3Å; G66-S114 CarbonylContact O-C 3.48Å; G66-S114 PolarHBondContact O-N 3.08Å; G67-S114 PolarHBondContact N-OG 3.36Å; G67-S114 PolarHBondContact O-N 3.35Å; G67-S114 PolarHBondContact O-OG 3.26Å; S114-N158 PolarHBondContact OG-O 2.85Å; S114-T160 WeakPolarHBondContact CB-O 3.46Å; S114-H161 VanDerWaalsContact CB-CE1 3.4Å; S114-H161 WeakPolarHBondContact CB-CE1 3.21Å; S114-H161 PolarHBondContact OG-CE1 2.86Å; S114-H161 VanDerWaalsContact OG-CE1 3.31Å
115	A	96.1	Very high	96.1	Very high	23 Å²	23	39 Å²	39	19%	0.19	19%	0.194	C	C	.	.	S	Bend	trans	-71.3	159.4	174.2	0	0	0	0	0	111.1	G66 Y118 T119	G66-A115 WeakPolarHBondContact O-CB 3.48Å; G66-A115 PolarHBondContact O-N 2.86Å; A115-Y118 HydrophobicContact CB-CD2 3.67Å; A115-Y118 HydrophobicContact CB-CE2 4.12Å; A115-Y118 PolarHBondContact O-N 3.02Å; A115-T119 WeakPolarHBondContact O-CB 3.4Å; A115-T119 PolarHBondContact O-N 3.16Å; A115-T119 PolarHBondContact O-OG1 3.12Å
116	E	95.1	Very high	96.2	Very high	155 Å²	155	34.8 Å²	34.8	72%	0.724	18%	0.178	S	C	*	.	H	α-helix	trans	-62.6	-51.6	-171.9	-169.2	154.2	-141	0	0	111.8	Y118 T119 E120	E116-Y118 PolarHBondContact O-N 3.42Å; E116-T119 CarbonylContact O-C 3.49Å; E116-T119 WeakPolarHBondContact O-CA 3.36Å; E116-T119 VanDerWaalsContact O-CB 3.3Å; E116-T119 WeakPolarHBondContact O-CB 3.49Å; E116-T119 PolarHBondContact O-N 3.01Å; E116-E120 WeakPolarHBondContact O-CG 3.42Å; E116-E120 PolarHBondContact O-N 2.99Å
117	H	92.2	Very high	96.3	Very high	99 Å²	99	39.4 Å²	39.4	46%	0.458	20%	0.199	S	C	.	.	H	α-helix	trans	-59.4	-44.3	178	63.4	-54.4	0	0	0	113.1	T119 E120 T121	H117-T119 VanDerWaalsContact C-N 3.26Å; H117-T119 PolarHBondContact O-N 2.93Å; H117-E120 PolarHBondContact O-N 2.94Å; H117-T121 PolarHBondContact O-N 2.95Å; H117-T121 PolarHBondContact O-OG1 3.13Å; H117-T121 VanDerWaalsContact O-OG1 3.13Å
118	Y	93.6	Very high	96.3	Very high	42 Å²	42	39.5 Å²	39.5	17%	0.165	20%	0.199	C	C	.	.	H	α-helix	trans	-63.4	-33.4	174.5	-57.6	-42.2	0	0	0	112.5	H91 F92 K113 A115 E116 A122	H91-Y118 PolarHBondContact CE1-OH 3.36Å; H91-Y118 VanDerWaalsContact CE1-OH 3.31Å; F92-Y118 AromaticContact CD1-CD1 3.75Å; F92-Y118 HydrophobicContact CD1-CD1 3.75Å; F92-Y118 AromaticContact CD1-CE1 3.47Å; F92-Y118 HydrophobicContact CD1-CE1 3.47Å; F92-Y118 VanDerWaalsContact CD1-CE1 3.47Å; F92-Y118 HydrophobicContact CE1-CD1 4.38Å; F92-Y118 AromaticContact CE1-CE1 3.81Å; F92-Y118 HydrophobicContact CE1-CE1 3.81Å; K113-Y118 HydrophobicContact CB-CD2 3.34Å; K113-Y118 HydrophobicContact CB-CE2 3.88Å; K113-Y118 HydrophobicContact CB-CG 4.05Å; K113-Y118 HydrophobicContact CD-CD2 4Å; K113-Y118 HydrophobicContact CD-CE2 3.59Å; K113-Y118 HydrophobicContact CG-CD2 4.28Å; K113-Y118 HydrophobicContact CG-CE2 4.37Å; A115-Y118 HydrophobicContact CB-CD2 3.67Å; A115-Y118 HydrophobicContact CB-CE2 4.12Å; A115-Y118 PolarHBondContact O-N 3.02Å; E116-Y118 PolarHBondContact O-N 3.42Å; Y118-A122 VanDerWaalsContact O-CB 3.28Å; Y118-A122 WeakPolarHBondContact O-CB 3.28Å; Y118-A122 PolarHBondContact O-N 2.87Å; Y118-A122 VanDerWaalsContact O-N 3.12Å
119	T	94.8	Very high	96.3	Very high	27 Å²	27	39.1 Å²	39.1	17%	0.166	20%	0.195	C	C	.	.	H	α-helix	trans	-70.8	-39.5	176.3	-62	0	0	0	0	111.4	A115 E116 H117 L123 V162	A115-T119 WeakPolarHBondContact O-CB 3.4Å; A115-T119 PolarHBondContact O-N 3.16Å; A115-T119 PolarHBondContact O-OG1 3.12Å; E116-T119 CarbonylContact O-C 3.49Å; E116-T119 WeakPolarHBondContact O-CA 3.36Å; E116-T119 VanDerWaalsContact O-CB 3.3Å; E116-T119 WeakPolarHBondContact O-CB 3.49Å; E116-T119 PolarHBondContact O-N 3.01Å; H117-T119 VanDerWaalsContact C-N 3.26Å; H117-T119 PolarHBondContact O-N 2.93Å; T119-L123 HydrophobicContact CG2-CD1 4.1Å; T119-L123 WeakPolarHBondContact O-CD1 3.32Å; T119-L123 WeakPolarHBondContact O-CG 3.39Å; T119-L123 PolarHBondContact O-N 3.43Å; T119-L123 VanDerWaalsContact O-N 3.08Å; T119-V162 HydrophobicContact CG2-CG2 3.97Å
120	E	94.1	Very high	96.3	Very high	124 Å²	124	42.1 Å²	42.1	58%	0.579	21%	0.209	S	C	*	.	H	α-helix	trans	-67.8	-49.1	176.8	-69.7	-172.7	137.9	0	0	111.9	E116 H117 A122 L123 D124	E116-E120 WeakPolarHBondContact O-CG 3.42Å; E116-E120 PolarHBondContact O-N 2.99Å; H117-E120 PolarHBondContact O-N 2.94Å; E120-A122 VanDerWaalsContact C-N 3.31Å; E120-A122 PolarHBondContact O-N 2.92Å; E120-L123 PolarHBondContact O-N 3.31Å; E120-D124 PolarHBondContact O-N 3.27Å
121	T	94.2	Very high	96.4	Very high	74 Å²	74	42 Å²	42	45%	0.454	21%	0.21	S	C	.	.	H	α-helix	trans	-55.8	-45.5	174.6	-56.2	0	0	0	0	111.2	H117 L123 D124 E125	H117-T121 PolarHBondContact O-N 2.95Å; H117-T121 PolarHBondContact O-OG1 3.13Å; H117-T121 VanDerWaalsContact O-OG1 3.13Å; T121-L123 VanDerWaalsContact C-N 3.29Å; T121-L123 PolarHBondContact O-N 2.89Å; T121-D124 PolarHBondContact O-N 2.84Å; T121-E125 WeakPolarHBondContact O-CB 3.3Å; T121-E125 PolarHBondContact O-N 2.63Å
122	A	95.9	Very high	96.4	Very high	3 Å²	3	42 Å²	42	3%	0.025	21%	0.21	C	C	.	.	H	α-helix	trans	-64.5	-30.3	177	0	0	0	0	0	113.5	V112 Y118 E120 I126 V162 M164	V112-A122 HydrophobicContact CB-CB 4.48Å; V112-A122 HydrophobicContact CG1-CB 4.2Å; V112-A122 HydrophobicContact CG2-CB 3.98Å; Y118-A122 VanDerWaalsContact O-CB 3.28Å; Y118-A122 WeakPolarHBondContact O-CB 3.28Å; Y118-A122 PolarHBondContact O-N 2.87Å; Y118-A122 VanDerWaalsContact O-N 3.12Å; E120-A122 VanDerWaalsContact C-N 3.31Å; E120-A122 PolarHBondContact O-N 2.92Å; A122-I126 WeakPolarHBondContact O-CB 3.26Å; A122-I126 WeakPolarHBondContact O-CD1 3.02Å; A122-I126 VanDerWaalsContact O-CG1 3.23Å; A122-I126 WeakPolarHBondContact O-CG1 3.45Å; A122-I126 PolarHBondContact O-N 2.8Å; A122-V162 HydrophobicContact CB-CB 4.04Å; A122-V162 HydrophobicContact CB-CG1 4.02Å; A122-V162 HydrophobicContact CB-CG2 4.26Å; A122-M164 HydrophobicContact CB-CE 4.28Å
123	L	96.9	Very high	96.3	Very high	54 Å²	54	45.3 Å²	45.3	28%	0.283	22%	0.222	S	C	.	.	H	α-helix	trans	-75.6	-29.7	175.3	-72.9	167.9	0	0	0	112.6	T119 E120 T121 K127	T119-L123 HydrophobicContact CG2-CD1 4.1Å; T119-L123 WeakPolarHBondContact O-CD1 3.32Å; T119-L123 WeakPolarHBondContact O-CG 3.39Å; T119-L123 PolarHBondContact O-N 3.43Å; T119-L123 VanDerWaalsContact O-N 3.08Å; E120-L123 PolarHBondContact O-N 3.31Å; T121-L123 VanDerWaalsContact C-N 3.29Å; T121-L123 PolarHBondContact O-N 2.89Å; L123-K127 VanDerWaalsContact O-CE 3.26Å; L123-K127 WeakPolarHBondContact O-CE 3.38Å; L123-K127 VanDerWaalsContact O-CG 3.3Å; L123-K127 WeakPolarHBondContact O-CG 3.35Å; L123-K127 PolarHBondContact O-N 2.95Å
124	D	95.4	Very high	96.3	Very high	38 Å²	38	49.6 Å²	49.6	20%	0.203	25%	0.245	C	C	.	.	H	α-helix	trans	-77.5	-36.9	170.3	-85.8	-4.7	0	0	0	111.9	E120 T121 I126 K127 L128 F511	E120-D124 PolarHBondContact O-N 3.27Å; T121-D124 PolarHBondContact O-N 2.84Å; D124-I126 VanDerWaalsContact C-N 3.33Å; D124-I126 PolarHBondContact O-N 2.97Å; D124-K127 WeakPolarHBondContact O-CB 3.4Å; D124-K127 PolarHBondContact O-N 3.11Å; D124-K127 VanDerWaalsContact O-N 3.08Å; D124-K127 VanDerWaalsContact OD1-CD 3.3Å; D124-K127 WeakPolarHBondContact OD1-CD 3.34Å; D124-K127 WeakPolarHBondContact OD1-CE 3.32Å; D124-K127 IonicContact OD1-NZ 2.62Å; D124-K127 PolarHBondContact OD1-NZ 2.85Å; D124-L128 WeakPolarHBondContact O-CG 3.33Å; D124-L128 PolarHBondContact O-N 2.83Å; D124-F511 HydrophobicContact CB-CZ 3.93Å; D124-F511 WeakPolarHBondContact OD2-CE1 3.49Å; D124-F511 VanDerWaalsContact OD2-CZ 3.28Å; D124-F511 WeakPolarHBondContact OD2-CZ 3.18Å
125	E	97.3	Very high	96.3	Very high	11 Å²	11	51.9 Å²	51.9	5%	0.051	26%	0.259	C	S	.	.	H	α-helix	trans	-54.3	-47.6	168.5	-169.2	-170.4	153	0	0	110.7	K110 T121 K127 L128 L129 M164	K110-E125 IonicContact NZ-OE1 3.31Å; K110-E125 PolarHBondContact NZ-OE1 3.42Å; K110-E125 IonicContact NZ-OE2 2.97Å; K110-E125 PolarHBondContact NZ-OE2 2.68Å; T121-E125 WeakPolarHBondContact O-CB 3.3Å; T121-E125 PolarHBondContact O-N 2.63Å; E125-K127 VanDerWaalsContact C-N 3.32Å; E125-K127 PolarHBondContact O-N 2.93Å; E125-L128 PolarHBondContact O-N 3.32Å; E125-L129 HydrophobicContact CG-CD1 3.86Å; E125-L129 HydrophobicContact CG-CG 4.45Å; E125-L129 WeakPolarHBondContact O-CB 3.48Å; E125-L129 VanDerWaalsContact O-CG 3.3Å; E125-L129 WeakPolarHBondContact O-CG 3.49Å; E125-L129 PolarHBondContact O-N 2.92Å; E125-M164 HydrophobicContact CG-SD 4.32Å; E125-M164 WeakPolarHBondContact OE2-CE 3.36Å
126	I	98.3	Very high	96.4	Very high	7 Å²	7	52.2 Å²	52.2	4%	0.036	26%	0.257	C	S	.	.	H	α-helix	trans	-60	-37.4	175.8	-76.2	166.2	0	0	0	112.5	A122 D124 K130 L148 D151 V162 M164	A122-I126 WeakPolarHBondContact O-CB 3.26Å; A122-I126 WeakPolarHBondContact O-CD1 3.02Å; A122-I126 VanDerWaalsContact O-CG1 3.23Å; A122-I126 WeakPolarHBondContact O-CG1 3.45Å; A122-I126 PolarHBondContact O-N 2.8Å; D124-I126 VanDerWaalsContact C-N 3.33Å; D124-I126 PolarHBondContact O-N 2.97Å; I126-K130 HydrophobicContact CG2-CD 3.82Å; I126-K130 VanDerWaalsContact O-CB 3.32Å; I126-K130 WeakPolarHBondContact O-CB 3.3Å; I126-K130 VanDerWaalsContact O-CG 3.26Å; I126-K130 WeakPolarHBondContact O-CG 3.41Å; I126-K130 PolarHBondContact O-N 2.99Å; I126-L148 HydrophobicContact CG1-CD2 4.44Å; I126-L148 HydrophobicContact CG2-CD2 4.38Å; I126-D151 HydrophobicContact CD1-CB 3.88Å; I126-D151 HydrophobicContact CG1-CB 4.28Å; I126-D151 WeakPolarHBondContact CG2-OD2 3.13Å; I126-V162 HydrophobicContact CD1-CG1 3.49Å; I126-V162 VanDerWaalsContact CD1-CG1 3.49Å; I126-M164 HydrophobicContact CD1-CG 3.8Å; I126-M164 HydrophobicContact CD1-SD 4.2Å; I126-M164 HydrophobicContact CG1-CG 3.67Å; I126-M164 HydrophobicContact CG1-SD 3.62Å
127	K	98.2	Very high	96.4	Very high	113 Å²	113	48.5 Å²	48.5	49%	0.491	25%	0.246	S	C	.	.	H	α-helix	trans	-68.4	-42.3	177.7	-68.8	163.4	-153.6	162.9	0	111.1	L123 D124 E125 K130 S131	L123-K127 VanDerWaalsContact O-CE 3.26Å; L123-K127 WeakPolarHBondContact O-CE 3.38Å; L123-K127 VanDerWaalsContact O-CG 3.3Å; L123-K127 WeakPolarHBondContact O-CG 3.35Å; L123-K127 PolarHBondContact O-N 2.95Å; D124-K127 WeakPolarHBondContact O-CB 3.4Å; D124-K127 PolarHBondContact O-N 3.11Å; D124-K127 VanDerWaalsContact O-N 3.08Å; D124-K127 VanDerWaalsContact OD1-CD 3.3Å; D124-K127 WeakPolarHBondContact OD1-CD 3.34Å; D124-K127 WeakPolarHBondContact OD1-CE 3.32Å; D124-K127 IonicContact OD1-NZ 2.62Å; D124-K127 PolarHBondContact OD1-NZ 2.85Å; E125-K127 VanDerWaalsContact C-N 3.32Å; E125-K127 PolarHBondContact O-N 2.93Å; K127-K130 PolarHBondContact O-N 3.47Å; K127-S131 PolarHBondContact O-N 2.67Å
128	L	98.3	Very high	96.6	Very high	1 Å²	1	54 Å²	54	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-62.7	-50	175.4	-69.3	158.1	0	0	0	110.8	D124 E125 K130 S131 V132 I210 L501 A504 W506 F511	D124-L128 WeakPolarHBondContact O-CG 3.33Å; D124-L128 PolarHBondContact O-N 2.83Å; E125-L128 PolarHBondContact O-N 3.32Å; L128-K130 VanDerWaalsContact C-N 3.35Å; L128-K130 PolarHBondContact O-N 2.83Å; L128-S131 WeakPolarHBondContact O-CA 3.3Å; L128-S131 WeakPolarHBondContact O-CB 3.38Å; L128-S131 PolarHBondContact O-N 2.89Å; L128-V132 WeakPolarHBondContact O-CG2 3.42Å; L128-V132 PolarHBondContact O-N 3.15Å; L128-I210 HydrophobicContact CB-CD1 4.24Å; L128-I210 HydrophobicContact CD2-CD1 3.7Å; L128-I210 HydrophobicContact CD2-CG1 3.76Å; L128-I210 HydrophobicContact CD2-CG2 4.2Å; L128-L501 HydrophobicContact CB-CD2 4.44Å; L128-A504 HydrophobicContact CD1-CB 4.2Å; L128-A504 WeakPolarHBondContact CD1-O 3.42Å; L128-W506 HydrophobicContact CD2-CD2 4.04Å; L128-W506 HydrophobicContact CD2-CG 4.22Å; L128-W506 HydrophobicContact CD2-CZ2 4.17Å; L128-F511 HydrophobicContact CD1-CE2 4.33Å
129	L	98.4	Very high	96.8	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-60.1	-40	177.4	-72.6	165.8	0	0	0	113	E125 S131 V132 R133 V146 L148 M164 F166 L501	E125-L129 HydrophobicContact CG-CD1 3.86Å; E125-L129 HydrophobicContact CG-CG 4.45Å; E125-L129 WeakPolarHBondContact O-CB 3.48Å; E125-L129 VanDerWaalsContact O-CG 3.3Å; E125-L129 WeakPolarHBondContact O-CG 3.49Å; E125-L129 PolarHBondContact O-N 2.92Å; L129-S131 VanDerWaalsContact C-N 3.32Å; L129-S131 PolarHBondContact O-N 3.21Å; L129-V132 PolarHBondContact O-N 2.57Å; L129-R133 WeakPolarHBondContact O-CB 2.97Å; L129-R133 PolarHBondContact O-N 2.9Å; L129-V146 HydrophobicContact CD2-CG1 4.28Å; L129-L148 HydrophobicContact CB-CB 3.85Å; L129-L148 HydrophobicContact CB-CD2 3.89Å; L129-L148 HydrophobicContact CB-CG 4.46Å; L129-L148 HydrophobicContact CD1-CB 4.29Å; L129-L148 HydrophobicContact CD1-CD1 4.38Å; L129-L148 HydrophobicContact CD1-CD2 4.35Å; L129-L148 HydrophobicContact CG-CB 4.48Å; L129-M164 HydrophobicContact CD1-SD 4.07Å; L129-F166 HydrophobicContact CD1-CE1 3.65Å; L129-F166 HydrophobicContact CD1-CZ 3.73Å; L129-F166 HydrophobicContact CD2-CE1 4.07Å; L129-L501 HydrophobicContact CD2-CB 4.48Å; L129-L501 HydrophobicContact CD2-CD1 4.4Å; L129-L501 HydrophobicContact CD2-CD2 4.26Å
130	K	98.1	Very high	96.9	Very high	64 Å²	64	56.9 Å²	56.9	28%	0.278	29%	0.286	S	S	.	.	H	α-helix	trans	-64.8	-34.7	173	-76.9	170.8	179	168	0	112.2	I126 K127 L128 N134 L148 D151	I126-K130 HydrophobicContact CG2-CD 3.82Å; I126-K130 VanDerWaalsContact O-CB 3.32Å; I126-K130 WeakPolarHBondContact O-CB 3.3Å; I126-K130 VanDerWaalsContact O-CG 3.26Å; I126-K130 WeakPolarHBondContact O-CG 3.41Å; I126-K130 PolarHBondContact O-N 2.99Å; K127-K130 PolarHBondContact O-N 3.47Å; L128-K130 VanDerWaalsContact C-N 3.35Å; L128-K130 PolarHBondContact O-N 2.83Å; K130-N134 WeakPolarHBondContact O-CB 3.24Å; K130-N134 PolarHBondContact O-N 3.02Å; K130-N134 VanDerWaalsContact O-N 3.16Å; K130-N134 PolarHBondContact O-ND2 2.99Å; K130-N134 PolarHBondContact O-OD1 3.48Å; K130-L148 HydrophobicContact CG-CD2 4.18Å; K130-D151 WeakPolarHBondContact CE-OD1 3.43Å; K130-D151 IonicContact NZ-OD1 2.91Å; K130-D151 PolarHBondContact NZ-OD1 3.47Å; K130-D151 IonicContact NZ-OD2 2.67Å; K130-D151 PolarHBondContact NZ-OD2 2.91Å
131	S	97.9	Very high	97	Very high	19 Å²	19	52.2 Å²	52.2	13%	0.133	27%	0.267	C	S	.	.	H	α-helix	trans	-63.7	-49.5	172	-169.9	0	0	0	0	111.7	K127 L128 L129 R133 N134 T135 W506	K127-S131 PolarHBondContact O-N 2.67Å; L128-S131 WeakPolarHBondContact O-CA 3.3Å; L128-S131 WeakPolarHBondContact O-CB 3.38Å; L128-S131 PolarHBondContact O-N 2.89Å; L129-S131 VanDerWaalsContact C-N 3.32Å; L129-S131 PolarHBondContact O-N 3.21Å; S131-R133 VanDerWaalsContact C-N 3.32Å; S131-R133 PolarHBondContact O-N 3.25Å; S131-N134 PolarHBondContact O-N 3.26Å; S131-T135 WeakPolarHBondContact O-CB 3.41Å; S131-T135 PolarHBondContact O-N 3.27Å; S131-T135 PolarHBondContact O-OG1 3.41Å; S131-T135 PolarHBondContact OG-OG1 3Å; S131-W506 VanDerWaalsContact CB-CH2 3.41Å; S131-W506 WeakPolarHBondContact OG-CH2 3.46Å; S131-W506 WeakPolarHBondContact OG-CZ3 3.09Å
132	V	97.9	Very high	97.1	Very high	1 Å²	1	51 Å²	51	1%	0.006	25%	0.254	C	S	.	.	H	α-helix	trans	-53.9	-49.2	176.9	173.4	0	0	0	0	111	L128 L129 N134 V145 Y203 L204 I210 L501	L128-V132 WeakPolarHBondContact O-CG2 3.42Å; L128-V132 PolarHBondContact O-N 3.15Å; L129-V132 PolarHBondContact O-N 2.57Å; V132-N134 VanDerWaalsContact C-N 3.35Å; V132-N134 PolarHBondContact O-N 3.28Å; V132-V145 HydrophobicContact CG1-CB 3.92Å; V132-V145 HydrophobicContact CG1-CG1 3.82Å; V132-Y203 HydrophobicContact CG1-CD1 4.5Å; V132-Y203 HydrophobicContact CG1-CE1 4.01Å; V132-Y203 VanDerWaalsContact O-CE1 3.28Å; V132-Y203 WeakPolarHBondContact O-CE1 3.05Å; V132-Y203 PolarHBondContact O-OH 3.41Å; V132-L204 HydrophobicContact CG2-CD2 3.53Å; V132-I210 HydrophobicContact CG2-CD1 3.87Å; V132-L501 HydrophobicContact CG2-CD2 3.85Å
133	R	96.3	Very high	97.2	Very high	76 Å²	76	54.1 Å²	54.1	29%	0.287	27%	0.268	S	S	.	.	H	α-helix	trans	-63.1	-38.3	-178.3	-170	175.7	75.8	179.8	9.4	113.6	L129 S131 R142 L148 L149	L129-R133 WeakPolarHBondContact O-CB 2.97Å; L129-R133 PolarHBondContact O-N 2.9Å; S131-R133 VanDerWaalsContact C-N 3.32Å; S131-R133 PolarHBondContact O-N 3.25Å; R133-R142 PolarHBondContact O-NH1 3.08Å; R133-L148 WeakPolarHBondContact CD-O 3.5Å; R133-L148 PolarHBondContact NH1-O 3.29Å; R133-L149 PolarHBondContact NH1-O 3.34Å
134	N	96.6	Very high	97.3	Very high	93 Å²	93	52.8 Å²	52.8	50%	0.497	26%	0.26	S	S	.	.	H	α-helix	trans	-102.7	-18.5	-164.5	-60.7	-5.1	0	0	0	114.8	K130 S131 V132 P137	K130-N134 WeakPolarHBondContact O-CB 3.24Å; K130-N134 PolarHBondContact O-N 3.02Å; K130-N134 VanDerWaalsContact O-N 3.16Å; K130-N134 PolarHBondContact O-ND2 2.99Å; K130-N134 PolarHBondContact O-OD1 3.48Å; S131-N134 PolarHBondContact O-N 3.26Å; V132-N134 VanDerWaalsContact C-N 3.35Å; V132-N134 PolarHBondContact O-N 3.28Å; N134-P137 WeakPolarHBondContact O-CD 3.5Å
135	T	97.6	Very high	97.4	Very high	64 Å²	64	51 Å²	51	39%	0.393	25%	0.251	S	S	.	.	S	Bend	trans	-65.9	-51.9	-167.9	-64.8	0	0	0	0	113.8	S131 K207	S131-T135 WeakPolarHBondContact O-CB 3.41Å; S131-T135 PolarHBondContact O-N 3.27Å; S131-T135 PolarHBondContact O-OG1 3.41Å; S131-T135 PolarHBondContact OG-OG1 3Å; T135-K207 HydrophobicContact CG2-CB 4.03Å
136	D	96.8	Very high	97.4	Very high	30 Å²	30	50.9 Å²	50.9	16%	0.16	25%	0.251	C	S	.	.			trans	-141.5	84.1	170	-169.8	5	0	0	0	109.7	R138 D139 Y203 K207	D136-R138 PolarHBondContact O-N 3.49Å; D136-R138 IonicContact OD1-CZ 3.69Å; D136-R138 IonicContact OD1-NE 2.68Å; D136-R138 PolarHBondContact OD1-NE 3.36Å; D136-R138 IonicContact OD1-NH2 3.32Å; D136-R138 PolarHBondContact OD1-NH2 3.08Å; D136-D139 HydrophobicContact CB-CB 4.42Å; D136-D139 PolarHBondContact O-N 3.36Å; D136-D139 VanDerWaalsContact O-N 3.09Å; D136-Y203 HydrophobicContact CB-CE2 4.27Å; D136-Y203 PolarHBondContact N-OH 3.29Å; D136-K207 HydrophobicContact CB-CD 4.49Å; D136-K207 IonicContact OD2-NZ 3.39Å; D136-K207 PolarHBondContact OD2-NZ 3.34Å
137	P	95.3	Very high	97.4	Very high	76 Å²	76	51.2 Å²	51.2	49%	0.494	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-1.3	-174.3	-25.4	36.8	0	0	0	115.8	N134	N134-P137 WeakPolarHBondContact O-CD 3.5Å
138	R	96.4	Very high	97.4	Very high	215 Å²	215	45.9 Å²	45.9	81%	0.811	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.1	-9.4	179.5	-58.2	169.3	-60.4	172.2	6.4	112.9	D136 P140	D136-R138 PolarHBondContact O-N 3.49Å; D136-R138 IonicContact OD1-CZ 3.69Å; D136-R138 IonicContact OD1-NE 2.68Å; D136-R138 PolarHBondContact OD1-NE 3.36Å; D136-R138 IonicContact OD1-NH2 3.32Å; D136-R138 PolarHBondContact OD1-NH2 3.08Å; R138-P140 WeakPolarHBondContact O-CD 3.32Å
139	D	97.2	Very high	97.4	Very high	26 Å²	26	48 Å²	48	14%	0.139	24%	0.24	C	C	.	.			trans	-76.9	117.9	178.4	-165.6	-37.1	0	0	0	109.8	D136 S141 R142 Y203 K207	D136-D139 HydrophobicContact CB-CB 4.42Å; D136-D139 PolarHBondContact O-N 3.36Å; D136-D139 VanDerWaalsContact O-N 3.09Å; D139-S141 PolarHBondContact O-N 2.95Å; D139-S141 VanDerWaalsContact O-N 3.16Å; D139-S141 WeakPolarHBondContact OD1-CB 3.28Å; D139-S141 PolarHBondContact OD1-N 2.69Å; D139-S141 PolarHBondContact OD1-OG 2.71Å; D139-R142 VanDerWaalsContact O-CB 3.24Å; D139-R142 WeakPolarHBondContact O-CB 3.3Å; D139-R142 PolarHBondContact O-N 2.83Å; D139-R142 VanDerWaalsContact O-N 3.11Å; D139-Y203 HydrophobicContact CB-CD2 3.82Å; D139-Y203 HydrophobicContact CB-CE2 3.72Å; D139-K207 IonicContact OD2-NZ 2.76Å; D139-K207 PolarHBondContact OD2-NZ 2.88Å
140	P	97.1	Very high	97.4	Very high	104 Å²	104	49.4 Å²	49.4	68%	0.675	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-63.6	-21.3	179.6	28.2	-35.7	0	0	0	112.5	R138 R142 E143	R138-P140 WeakPolarHBondContact O-CD 3.32Å; P140-R142 PolarHBondContact O-N 3.41Å; P140-E143 PolarHBondContact O-N 3.2Å; P140-E143 VanDerWaalsContact O-N 3.17Å
141	S	97.4	Very high	97.4	Very high	26 Å²	26	48.5 Å²	48.5	18%	0.182	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-69.1	-21.1	178.4	-38.2	0	0	0	0	112.2	D139 E143 K144 Q199	D139-S141 PolarHBondContact O-N 2.95Å; D139-S141 VanDerWaalsContact O-N 3.16Å; D139-S141 WeakPolarHBondContact OD1-CB 3.28Å; D139-S141 PolarHBondContact OD1-N 2.69Å; D139-S141 PolarHBondContact OD1-OG 2.71Å; S141-E143 PolarHBondContact O-N 3.02Å; S141-K144 WeakPolarHBondContact O-CB 3.3Å; S141-K144 PolarHBondContact O-N 2.89Å; S141-Q199 WeakPolarHBondContact CB-O 3.1Å
142	R	96.9	Very high	97.4	Very high	47 Å²	47	48.6 Å²	48.6	18%	0.177	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-55.9	-36.3	170.3	-172.2	-168.6	75.1	173	-5	111.6	R133 D139 P140 K144 V145 Q147 Y203	R133-R142 PolarHBondContact O-NH1 3.08Å; D139-R142 VanDerWaalsContact O-CB 3.24Å; D139-R142 WeakPolarHBondContact O-CB 3.3Å; D139-R142 PolarHBondContact O-N 2.83Å; D139-R142 VanDerWaalsContact O-N 3.11Å; P140-R142 PolarHBondContact O-N 3.41Å; R142-K144 PolarHBondContact O-N 2.8Å; R142-K144 VanDerWaalsContact O-N 3.09Å; R142-V145 PolarHBondContact O-N 3.32Å; R142-Q147 PolarHBondContact O-NE2 2.7Å; R142-Y203 HydrophobicContact CB-CD1 4.2Å; R142-Y203 HydrophobicContact CB-CD2 4.18Å; R142-Y203 HydrophobicContact CB-CE1 3.85Å; R142-Y203 HydrophobicContact CB-CE2 3.84Å; R142-Y203 HydrophobicContact CB-CG 4.36Å; R142-Y203 HydrophobicContact CG-CD1 4.33Å; R142-Y203 HydrophobicContact CG-CE1 3.63Å; R142-Y203 HydrophobicContact CG-CE2 4.33Å
143	E	96.6	Very high	97.4	Very high	69 Å²	69	54.2 Å²	54.2	32%	0.322	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-72.2	2.6	178.9	-61.8	-51.7	137	0	0	113.7	P140 S141 K497	P140-E143 PolarHBondContact O-N 3.2Å; P140-E143 VanDerWaalsContact O-N 3.17Å; S141-E143 PolarHBondContact O-N 3.02Å; E143-K497 WeakPolarHBondContact O-CD 3.07Å; E143-K497 WeakPolarHBondContact O-CE 3.49Å; E143-K497 WeakPolarHBondContact O-CG 3.49Å; E143-K497 PolarHBondContact O-NZ 2.86Å; E143-K497 IonicContact OE2-NZ 2.68Å; E143-K497 PolarHBondContact OE2-NZ 3.49Å
144	K	98.4	Very high	97.4	Very high	26 Å²	26	51.3 Å²	51.3	11%	0.113	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-96.6	8.3	167.4	-53.8	-53.2	180	-177.2	0	113.2	S141 R142 Q196 Q199 K497 I498	S141-K144 WeakPolarHBondContact O-CB 3.3Å; S141-K144 PolarHBondContact O-N 2.89Å; R142-K144 PolarHBondContact O-N 2.8Å; R142-K144 VanDerWaalsContact O-N 3.09Å; K144-Q196 WeakPolarHBondContact CB-O 3.32Å; K144-Q196 HydrophobicContact CD-CB 4.1Å; K144-Q196 HydrophobicContact CD-CG 4.22Å; K144-Q199 HydrophobicContact CB-CB 4.34Å; K144-Q199 HydrophobicContact CG-CB 3.82Å; K144-K497 CarbonylContact O-C 3.49Å; K144-K497 WeakPolarHBondContact O-CA 3.26Å; K144-I498 PolarHBondContact O-N 2.89Å
145	V	98.6	Very high	97.4	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-123	143.5	169.1	-168.9	0	0	0	0	109	V132 R142 Q147 L204 L501	V132-V145 HydrophobicContact CG1-CB 3.92Å; V132-V145 HydrophobicContact CG1-CG1 3.82Å; R142-V145 PolarHBondContact O-N 3.32Å; V145-Q147 PolarHBondContact O-N 2.74Å; V145-Q147 PolarHBondContact O-NE2 2.75Å; V145-L204 HydrophobicContact CG2-CD1 4.15Å; V145-L204 HydrophobicContact CG2-CD2 4.34Å; V145-L204 HydrophobicContact CG2-CG 4.05Å; V145-L501 HydrophobicContact CG1-CD1 4.1Å
146	V	97.9	Very high	97	Very high	10 Å²	10	50.3 Å²	50.3	6%	0.061	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-60	133.1	179.1	68.3	0	0	0	0	112.1	L129 F166 E167 L169 I498 A499	L129-V146 HydrophobicContact CD2-CG1 4.28Å; V146-F166 HydrophobicContact CG1-CE1 4.48Å; V146-F166 HydrophobicContact CG2-CB 4.2Å; V146-F166 HydrophobicContact CG2-CD1 3.8Å; V146-F166 HydrophobicContact CG2-CG 4.27Å; V146-E167 HydrophobicContact CG2-CG 4.22Å; V146-L169 HydrophobicContact CB-CD1 4.28Å; V146-L169 HydrophobicContact CG2-CD1 3.85Å; V146-I498 PolarHBondContact N-O 2.76Å; V146-A499 HydrophobicContact CB-CB 4.48Å; V146-A499 HydrophobicContact CG1-CB 4.28Å
147	Q	97.5	Very high	96.7	Very high	14 Å²	14	55.7 Å²	55.7	7%	0.065	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-96.3	121.5	-177.3	-61	-56.2	-61.2	0	0	112.4	R142 V145 L149 E167	R142-Q147 PolarHBondContact O-NE2 2.7Å; V145-Q147 PolarHBondContact O-N 2.74Å; V145-Q147 PolarHBondContact O-NE2 2.75Å; Q147-L149 PolarHBondContact O-N 2.84Å; Q147-E167 PolarHBondContact N-OE1 2.77Å
148	L	98.3	Very high	96.6	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	118.7	169	-179.9	72	0	0	0	109.8	I126 L129 K130 R133 D150 D151 M164 F166	I126-L148 HydrophobicContact CG1-CD2 4.44Å; I126-L148 HydrophobicContact CG2-CD2 4.38Å; L129-L148 HydrophobicContact CB-CB 3.85Å; L129-L148 HydrophobicContact CB-CD2 3.89Å; L129-L148 HydrophobicContact CB-CG 4.46Å; L129-L148 HydrophobicContact CD1-CB 4.29Å; L129-L148 HydrophobicContact CD1-CD1 4.38Å; L129-L148 HydrophobicContact CD1-CD2 4.35Å; L129-L148 HydrophobicContact CG-CB 4.48Å; K130-L148 HydrophobicContact CG-CD2 4.18Å; R133-L148 WeakPolarHBondContact CD-O 3.5Å; R133-L148 PolarHBondContact NH1-O 3.29Å; L148-D150 WeakPolarHBondContact CD1-O 3.23Å; L148-D151 HydrophobicContact CD2-CB 4.48Å; L148-M164 HydrophobicContact CD1-CB 3.76Å; L148-M164 HydrophobicContact CD1-CG 4.06Å; L148-F166 HydrophobicContact CB-CD1 4.42Å; L148-F166 HydrophobicContact CB-CE1 4.14Å; L148-F166 HydrophobicContact CD1-CD1 4.35Å; L148-F166 HydrophobicContact CD1-CE1 3.9Å; L148-F166 HydrophobicContact CD1-CZ 4.06Å
149	L	97.7	Very high	96.5	Very high	44 Å²	44	44.4 Å²	44.4	23%	0.23	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	-51.9	-177.6	-53.2	-179.7	0	0	0	111.5	V107 R133 Q147 V165 F166	V107-L149 HydrophobicContact CG1-CD1 3.75Å; R133-L149 PolarHBondContact NH1-O 3.34Å; Q147-L149 PolarHBondContact O-N 2.84Å; L149-V165 HydrophobicContact CB-CG1 4.35Å; L149-V165 WeakPolarHBondContact CB-O 2.88Å; L149-V165 HydrophobicContact CD1-CG1 4.48Å; L149-V165 PolarHBondContact N-O 2.8Å; L149-F166 VanDerWaalsContact CD1-C 3.44Å; L149-F166 WeakPolarHBondContact CD1-O 3.4Å
150	D	98.3	Very high	96.5	Very high	33 Å²	33	46.4 Å²	46.4	18%	0.176	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	156.9	-179.8	-171.5	33.2	0	0	0	110.6	N78 Y81 L148 F152 V165	N78-D150 PolarHBondContact ND2-OD2 3.45Å; N78-D150 VanDerWaalsContact ND2-OD2 3.16Å; Y81-D150 HydrophobicContact CE2-CB 4.39Å; Y81-D150 WeakPolarHBondContact CE2-OD2 3.46Å; Y81-D150 WeakPolarHBondContact OH-CB 3.47Å; Y81-D150 PolarHBondContact OH-OD2 2.95Å; L148-D150 WeakPolarHBondContact CD1-O 3.23Å; D150-F152 WeakPolarHBondContact OD2-CD1 3.44Å; D150-V165 HydrophobicContact CB-CB 4.09Å; D150-V165 HydrophobicContact CB-CG2 4.15Å; D150-V165 PolarHBondContact N-O 3.12Å; D150-V165 PolarHBondContact O-N 3.01Å
151	D	98.4	Very high	96.6	Very high	45 Å²	45	41.5 Å²	41.5	24%	0.241	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	133.3	173.4	63.5	-74	0	0	0	111.9	I126 K130 L148 C163	I126-D151 HydrophobicContact CD1-CB 3.88Å; I126-D151 HydrophobicContact CG1-CB 4.28Å; I126-D151 WeakPolarHBondContact CG2-OD2 3.13Å; K130-D151 WeakPolarHBondContact CE-OD1 3.43Å; K130-D151 IonicContact NZ-OD1 2.91Å; K130-D151 PolarHBondContact NZ-OD1 3.47Å; K130-D151 IonicContact NZ-OD2 2.67Å; K130-D151 PolarHBondContact NZ-OD2 2.91Å; L148-D151 HydrophobicContact CD2-CB 4.48Å; D151-C163 WeakPolarHBondContact CA-O 3.21Å
152	F	98.4	Very high	96.6	Very high	21 Å²	21	40.3 Å²	40.3	9%	0.092	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	176.1	-177.1	58.9	-90.5	0	0	0	111.5	F77 N78 Y81 M109 D150 I154 C163 V165	F77-F152 HydrophobicContact CB-CE2 3.94Å; F77-F152 HydrophobicContact CB-CZ 3.91Å; N78-F152 HydrophobicContact CB-CD1 3.94Å; N78-F152 HydrophobicContact CB-CD2 4.06Å; N78-F152 HydrophobicContact CB-CE1 3.96Å; N78-F152 HydrophobicContact CB-CE2 4.08Å; N78-F152 HydrophobicContact CB-CG 4Å; N78-F152 HydrophobicContact CB-CZ 4.04Å; Y81-F152 AromaticContact CD2-CE1 3.6Å; Y81-F152 HydrophobicContact CD2-CE1 3.6Å; Y81-F152 AromaticContact CD2-CZ 3.98Å; Y81-F152 HydrophobicContact CD2-CZ 3.98Å; Y81-F152 HydrophobicContact CE2-CD1 4.33Å; Y81-F152 AromaticContact CE2-CE1 3.66Å; Y81-F152 HydrophobicContact CE2-CE1 3.66Å; Y81-F152 HydrophobicContact CE2-CZ 4.48Å; M109-F152 HydrophobicContact SD-CZ 4.02Å; D150-F152 WeakPolarHBondContact OD2-CD1 3.44Å; F152-I154 HydrophobicContact CD2-CG2 3.76Å; F152-I154 HydrophobicContact CE2-CG2 3.56Å; F152-C163 HydrophobicContact CD1-CB 4.28Å; F152-C163 HydrophobicContact CD2-CB 3.74Å; F152-C163 HydrophobicContact CE1-CB 4.04Å; F152-C163 HydrophobicContact CE2-CB 3.46Å; F152-C163 VanDerWaalsContact CE2-CB 3.46Å; F152-C163 HydrophobicContact CG-CB 4.15Å; F152-C163 HydrophobicContact CZ-CB 3.62Å; F152-C163 PolarHBondContact N-O 2.81Å; F152-C163 PolarHBondContact O-N 2.92Å; F152-V165 HydrophobicContact CD1-CG2 4.44Å; F152-V165 HydrophobicContact CE1-CG2 3.69Å
153	K	97.9	Very high	96.7	Very high	118 Å²	118	38.1 Å²	38.1	51%	0.513	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	144.6	176.3	-64.6	-171.7	-179.4	-172.6	0	111	T160 H161	K153-T160 HydrophobicContact CB-CG2 3.91Å; K153-T160 HydrophobicContact CD-CG2 4.07Å; K153-T160 HydrophobicContact CG-CG2 4.43Å; K153-H161 VanDerWaalsContact CA-O 3.3Å; K153-H161 WeakPolarHBondContact CA-O 3.44Å
154	I	96.4	Very high	96.8	Very high	16 Å²	16	34.8 Å²	34.8	8%	0.082	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	139.9	176.7	65	174.9	0	0	0	110.5	H69 F77 V111 F152 T160 H161	H69-I154 HydrophobicContact CB-CD1 4.39Å; F77-I154 HydrophobicContact CD1-CD1 4.13Å; F77-I154 HydrophobicContact CD1-CG2 3.78Å; F77-I154 HydrophobicContact CE1-CD1 3.69Å; F77-I154 HydrophobicContact CE1-CG2 4.3Å; F77-I154 HydrophobicContact CZ-CD1 4.4Å; V111-I154 HydrophobicContact CG1-CD1 3.97Å; F152-I154 HydrophobicContact CD2-CG2 3.76Å; F152-I154 HydrophobicContact CE2-CG2 3.56Å; I154-T160 CarbonylContact O-C 3.59Å; I154-T160 WeakPolarHBondContact O-CA 3.42Å; I154-H161 HydrophobicContact CD1-CB 4.35Å; I154-H161 HydrophobicContact CG1-CB 3.79Å; I154-H161 PolarHBondContact N-O 2.83Å; I154-H161 PolarHBondContact O-N 3.5Å
155	S	95.4	Very high	96.8	Very high	107 Å²	107	33.6 Å²	33.6	75%	0.748	19%	0.194	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-98.8	117	175.9	-58.4	0	0	0	0	110.1
156	G	90.8	Very high	96.8	Very high	28 Å²	28	34.5 Å²	34.5	29%	0.289	20%	0.198	S	C	.	.			trans	-114	-178.4	176.3	0	0	0	0	0	113	N158 G159	G156-N158 PolarHBondContact O-N 2.83Å; G156-G159 PolarHBondContact N-O 2.89Å
157	M	90.4	Very high	96.7	Very high	144 Å²	144	36.1 Å²	36.1	71%	0.709	21%	0.205	S	C	*	.	S	Bend	trans	-62.9	-26.2	172.2	-69.6	170	54.5	0	0	112.9	M261	M157-M261 HydrophobicContact CE-CE 3.6Å; M157-M261 HydrophobicContact CG-CE 4.16Å; M157-M261 HydrophobicContact SD-CE 3.47Å; M157-M261 WeakPolarHBondContact SD-CE 3.28Å
158	N	93	Very high	96.7	Very high	25 Å²	25	36.2 Å²	36.2	13%	0.134	21%	0.206	C	C	.	.	S	Bend	trans	-92.9	-17.8	-172.6	-69.6	-9.1	0	0	0	113.1	Y63 C64 R65 G66 Y68 S114 G156	Y63-N158 PolarHBondContact O-ND2 2.82Å; C64-N158 VanDerWaalsContact C-CG 3.48Å; C64-N158 VanDerWaalsContact O-CB 3.23Å; C64-N158 WeakPolarHBondContact O-CB 3.47Å; C64-N158 PolarHBondContact O-ND2 2.87Å; R65-N158 CarbonylContact C-O 3.56Å; R65-N158 WeakPolarHBondContact CA-O 3.42Å; R65-N158 WeakPolarHBondContact CG-O 3.31Å; G66-N158 PolarHBondContact N-O 2.86Å; Y68-N158 PolarHBondContact O-ND2 2.94Å; S114-N158 PolarHBondContact OG-O 2.85Å; G156-N158 PolarHBondContact O-N 2.83Å
159	G	94.9	Very high	96.5	Very high	28 Å²	28	37.2 Å²	37.2	29%	0.289	21%	0.212	S	C	.	.			trans	151	-163.2	178.1	0	0	0	0	0	111.5	G156 H161	G156-G159 PolarHBondContact N-O 2.89Å; G159-H161 PolarHBondContact O-CD2 3.25Å
160	T	97.1	Very high	96.2	Very high	69 Å²	69	36 Å²	36	42%	0.423	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	133.7	165.6	-57.6	0	0	0	0	108.2	S114 K153 I154	S114-T160 WeakPolarHBondContact CB-O 3.46Å; K153-T160 HydrophobicContact CB-CG2 3.91Å; K153-T160 HydrophobicContact CD-CG2 4.07Å; K153-T160 HydrophobicContact CG-CG2 4.43Å; I154-T160 CarbonylContact O-C 3.59Å; I154-T160 WeakPolarHBondContact O-CA 3.42Å
161	H	98.1	Very high	95.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	144.2	178.1	-53.5	-105.6	0	0	0	109.7	G67 H69 V111 V112 S114 K153 I154 G159	G67-H161 PolarHBondContact O-CE1 3.02Å; H69-H161 AromaticContact CG-CD2 3.91Å; H69-H161 AromaticContact CG-NE2 3.8Å; H69-H161 PolarHBondContact N-CE1 2.81Å; H69-H161 VanDerWaalsContact N-CE1 3.35Å; H69-H161 AromaticContact ND1-CD2 3.13Å; H69-H161 PolarHBondContact ND1-CD2 2.92Å; H69-H161 AromaticContact ND1-CE1 3.86Å; H69-H161 AromaticContact ND1-CG 3.88Å; H69-H161 AromaticContact ND1-NE2 3.1Å; H69-H161 PolarHBondContact ND1-NE2 3.1Å; V111-H161 HydrophobicContact CG1-CB 4.32Å; V112-H161 WeakPolarHBondContact O-CB 3.4Å; V112-H161 PolarHBondContact O-ND1 3.45Å; S114-H161 VanDerWaalsContact CB-CE1 3.4Å; S114-H161 WeakPolarHBondContact CB-CE1 3.21Å; S114-H161 PolarHBondContact OG-CE1 2.86Å; S114-H161 VanDerWaalsContact OG-CE1 3.31Å; K153-H161 VanDerWaalsContact CA-O 3.3Å; K153-H161 WeakPolarHBondContact CA-O 3.44Å; I154-H161 HydrophobicContact CD1-CB 4.35Å; I154-H161 HydrophobicContact CG1-CB 3.79Å; I154-H161 PolarHBondContact N-O 2.83Å; I154-H161 PolarHBondContact O-N 3.5Å; G159-H161 PolarHBondContact O-CD2 3.25Å
162	V	98.3	Very high	95.7	Very high	2 Å²	2	38 Å²	38	1%	0.012	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	134.7	169.5	-179.7	0	0	0	0	108.9	V112 T119 A122 I126 M164	V112-V162 HydrophobicContact CB-CB 4.46Å; V112-V162 HydrophobicContact CG2-CB 4.4Å; V112-V162 PolarHBondContact N-O 2.89Å; T119-V162 HydrophobicContact CG2-CG2 3.97Å; A122-V162 HydrophobicContact CB-CB 4.04Å; A122-V162 HydrophobicContact CB-CG1 4.02Å; A122-V162 HydrophobicContact CB-CG2 4.26Å; I126-V162 HydrophobicContact CD1-CG1 3.49Å; I126-V162 VanDerWaalsContact CD1-CG1 3.49Å; V162-M164 HydrophobicContact CG1-CG 4.5Å
163	C	98.4	Very high	95.7	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	131.4	174	-65.1	0	0	0	0	109.5	K110 D151 F152	K110-C163 WeakPolarHBondContact O-CA 3.45Å; D151-C163 WeakPolarHBondContact CA-O 3.21Å; F152-C163 HydrophobicContact CD1-CB 4.28Å; F152-C163 HydrophobicContact CD2-CB 3.74Å; F152-C163 HydrophobicContact CE1-CB 4.04Å; F152-C163 HydrophobicContact CE2-CB 3.46Å; F152-C163 VanDerWaalsContact CE2-CB 3.46Å; F152-C163 HydrophobicContact CG-CB 4.15Å; F152-C163 HydrophobicContact CZ-CB 3.62Å; F152-C163 PolarHBondContact N-O 2.81Å; F152-C163 PolarHBondContact O-N 2.92Å
164	M	98.6	Very high	95.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	136.8	174.2	-69.3	175.6	-84.4	0	0	109.2	M109 K110 V112 A122 E125 I126 L129 L148 V162 F166	M109-M164 CarbonylContact C-O 3.52Å; M109-M164 WeakPolarHBondContact CA-O 3.43Å; K110-M164 HydrophobicContact CB-CB 4.41Å; K110-M164 HydrophobicContact CD-CE 3.79Å; K110-M164 HydrophobicContact CG-CE 4.22Å; K110-M164 PolarHBondContact N-O 3.41Å; K110-M164 PolarHBondContact O-N 3.48Å; V112-M164 HydrophobicContact CG2-CE 3.85Å; A122-M164 HydrophobicContact CB-CE 4.28Å; E125-M164 HydrophobicContact CG-SD 4.32Å; E125-M164 WeakPolarHBondContact OE2-CE 3.36Å; I126-M164 HydrophobicContact CD1-CG 3.8Å; I126-M164 HydrophobicContact CD1-SD 4.2Å; I126-M164 HydrophobicContact CG1-CG 3.67Å; I126-M164 HydrophobicContact CG1-SD 3.62Å; L129-M164 HydrophobicContact CD1-SD 4.07Å; L148-M164 HydrophobicContact CD1-CB 3.76Å; L148-M164 HydrophobicContact CD1-CG 4.06Å; V162-M164 HydrophobicContact CG1-CG 4.5Å; M164-F166 HydrophobicContact CB-CD2 4.36Å; M164-F166 HydrophobicContact CB-CE2 3.5Å; M164-F166 VanDerWaalsContact CB-CE2 3.5Å; M164-F166 HydrophobicContact CB-CZ 3.77Å; M164-F166 HydrophobicContact CG-CZ 4.5Å; M164-F166 HydrophobicContact SD-CZ 4.07Å
165	V	98.5	Very high	95.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	126.9	-177.7	-174.6	0	0	0	0	109.3	Y81 V107 M109 L149 D150 F152	Y81-V165 HydrophobicContact CD1-CG1 4.44Å; Y81-V165 HydrophobicContact CD2-CG2 4.23Å; Y81-V165 HydrophobicContact CE1-CG1 3.84Å; Y81-V165 HydrophobicContact CE1-CG2 4.39Å; Y81-V165 HydrophobicContact CE2-CG2 3.82Å; V107-V165 HydrophobicContact CB-CG1 3.59Å; V107-V165 HydrophobicContact CG1-CG1 3.96Å; V107-V165 HydrophobicContact CG2-CG1 3.65Å; M109-V165 HydrophobicContact CG-CG2 4.48Å; L149-V165 HydrophobicContact CB-CG1 4.35Å; L149-V165 WeakPolarHBondContact CB-O 2.88Å; L149-V165 HydrophobicContact CD1-CG1 4.48Å; L149-V165 PolarHBondContact N-O 2.8Å; D150-V165 HydrophobicContact CB-CB 4.09Å; D150-V165 HydrophobicContact CB-CG2 4.15Å; D150-V165 PolarHBondContact N-O 3.12Å; D150-V165 PolarHBondContact O-N 3.01Å; F152-V165 HydrophobicContact CD1-CG2 4.44Å; F152-V165 HydrophobicContact CE1-CG2 3.69Å
166	F	98.4	Very high	95.4	Very high	20 Å²	20	29 Å²	29	9%	0.088	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	166.8	-176.2	-59.2	-81.6	0	0	0	111.3	V107 A108 K110 L129 V146 L148 L149 M164	V107-F166 WeakPolarHBondContact CA-O 3.44Å; V107-F166 WeakPolarHBondContact CB-O 3.41Å; A108-F166 HydrophobicContact CB-CB 4.46Å; A108-F166 PolarHBondContact N-O 3.34Å; A108-F166 PolarHBondContact O-N 2.92Å; K110-F166 HydrophobicContact CB-CD2 4.34Å; K110-F166 HydrophobicContact CB-CE2 3.87Å; K110-F166 HydrophobicContact CD-CE2 4.06Å; L129-F166 HydrophobicContact CD1-CE1 3.65Å; L129-F166 HydrophobicContact CD1-CZ 3.73Å; L129-F166 HydrophobicContact CD2-CE1 4.07Å; V146-F166 HydrophobicContact CG1-CE1 4.48Å; V146-F166 HydrophobicContact CG2-CB 4.2Å; V146-F166 HydrophobicContact CG2-CD1 3.8Å; V146-F166 HydrophobicContact CG2-CG 4.27Å; L148-F166 HydrophobicContact CB-CD1 4.42Å; L148-F166 HydrophobicContact CB-CE1 4.14Å; L148-F166 HydrophobicContact CD1-CD1 4.35Å; L148-F166 HydrophobicContact CD1-CE1 3.9Å; L148-F166 HydrophobicContact CD1-CZ 4.06Å; L149-F166 VanDerWaalsContact CD1-C 3.44Å; L149-F166 WeakPolarHBondContact CD1-O 3.4Å; M164-F166 HydrophobicContact CB-CD2 4.36Å; M164-F166 HydrophobicContact CB-CE2 3.5Å; M164-F166 VanDerWaalsContact CB-CE2 3.5Å; M164-F166 HydrophobicContact CB-CZ 3.77Å; M164-F166 HydrophobicContact CG-CZ 4.5Å; M164-F166 HydrophobicContact SD-CZ 4.07Å
167	E	96.4	Very high	95.6	Very high	44 Å²	44	27.6 Å²	27.6	21%	0.206	15%	0.147	C	C	.	.			trans	-57.4	152.1	160.8	62	-167.3	130.2	0	0	111.8	V146 Q147 L169 K497	V146-E167 HydrophobicContact CG2-CG 4.22Å; Q147-E167 PolarHBondContact N-OE1 2.77Å; E167-L169 HydrophobicContact CG-CD1 4.35Å; E167-L169 HydrophobicContact CG-CD2 4.29Å; E167-L169 HydrophobicContact CG-CG 4.13Å; E167-L169 PolarHBondContact O-N 3.24Å; E167-K497 WeakPolarHBondContact OE1-CD 3.39Å; E167-K497 IonicContact OE1-NZ 3.68Å; E167-K497 PolarHBondContact OE1-NZ 2.81Å; E167-K497 WeakPolarHBondContact OE2-CE 3.14Å; E167-K497 IonicContact OE2-NZ 2.78Å; E167-K497 PolarHBondContact OE2-NZ 3.32Å
168	V	96.1	Very high	95.7	Very high	15 Å²	15	22.9 Å²	22.9	9%	0.091	12%	0.124	C	C	.	.			trans	-81.3	118.7	176	-178.2	0	0	0	0	109.4	L97 F106 V107 V224 I229	L97-V168 HydrophobicContact CD1-CG1 4.21Å; L97-V168 HydrophobicContact CD1-CG2 3.72Å; F106-V168 HydrophobicContact CB-CG2 3.92Å; V107-V168 VanDerWaalsContact C-CG2 3.49Å; V168-V224 HydrophobicContact CG1-CG2 4.19Å; V168-I229 HydrophobicContact CB-CD1 3.86Å; V168-I229 HydrophobicContact CB-CG1 4.42Å; V168-I229 HydrophobicContact CG1-CD1 3.98Å; V168-I229 HydrophobicContact CG1-CG1 3.98Å; V168-I229 HydrophobicContact CG1-CG2 4.26Å
169	L	95.2	Very high	95.8	Very high	23 Å²	23	26.1 Å²	26.1	12%	0.12	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	163.6	172.5	-60.8	171.7	0	0	0	109.6	V146 E167 L221 T223 K497	V146-L169 HydrophobicContact CB-CD1 4.28Å; V146-L169 HydrophobicContact CG2-CD1 3.85Å; E167-L169 HydrophobicContact CG-CD1 4.35Å; E167-L169 HydrophobicContact CG-CD2 4.29Å; E167-L169 HydrophobicContact CG-CG 4.13Å; E167-L169 PolarHBondContact O-N 3.24Å; L169-L221 HydrophobicContact CB-CB 3.97Å; L169-L221 HydrophobicContact CB-CD1 3.93Å; L169-L221 HydrophobicContact CD1-CB 4.05Å; L169-L221 HydrophobicContact CD1-CD1 3.85Å; L169-T223 HydrophobicContact CD2-CG2 3.86Å; L169-K497 HydrophobicContact CD1-CB 4.24Å; L169-K497 HydrophobicContact CD2-CD 4.29Å; L169-K497 HydrophobicContact CD2-CG 4.45Å
170	G	92	Very high	95.8	Very high	18 Å²	18	25.7 Å²	25.7	19%	0.186	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-152.9	177.8	0	0	0	0	0	112.9	L222	G170-L222 WeakPolarHBondContact CA-O 3.45Å; G170-L222 PolarHBondContact N-O 2.91Å
171	Y	91.6	Very high	95.7	Very high	71 Å²	71	27.8 Å²	27.8	28%	0.278	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	148	-178.4	-54.9	-58.9	0	0	0	113.1	K175 W176 L222 L482	Y171-K175 HydrophobicContact CD1-CD 3.78Å; Y171-K175 HydrophobicContact CE1-CD 4.18Å; Y171-K175 HydrophobicContact CG-CD 4.12Å; Y171-W176 HydrophobicContact CD2-CZ2 4.42Å; Y171-L222 PolarHBondContact O-N 2.87Å; Y171-L222 VanDerWaalsContact O-N 3.16Å; Y171-L482 HydrophobicContact CD2-CD1 4.21Å; Y171-L482 HydrophobicContact CE2-CD1 3.73Å
172	H	94.5	Very high	95.6	Very high	49 Å²	49	33.2 Å²	33.2	23%	0.227	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	157.6	166.2	48.2	98.9	0	0	0	111.7	L174 K175 E218 I220 L221	H172-L174 VanDerWaalsContact C-N 3.31Å; H172-L174 PolarHBondContact O-N 2.99Å; H172-K175 PolarHBondContact O-N 3.37Å; H172-E218 WeakPolarHBondContact CB-O 3.4Å; H172-I220 WeakPolarHBondContact CA-O 3.46Å; H172-L221 HydrophobicContact CB-CD2 3.66Å
173	L	96.9	Very high	95.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-29.7	-176.8	-63	-179.3	0	0	0	113.3	K175 W176 I177 I193 P217 I220 L222 L547	L173-K175 PolarHBondContact O-N 3.16Å; L173-W176 WeakPolarHBondContact O-CA 3.49Å; L173-W176 WeakPolarHBondContact O-CB 3.34Å; L173-W176 PolarHBondContact O-N 3.05Å; L173-I177 PolarHBondContact O-N 3.18Å; L173-I193 HydrophobicContact CD1-CD1 4.36Å; L173-I193 HydrophobicContact CD1-CG2 3.58Å; L173-I193 HydrophobicContact CD2-CD1 4Å; L173-P217 HydrophobicContact CB-CB 4Å; L173-P217 PolarHBondContact N-O 3.17Å; L173-I220 HydrophobicContact CD1-CB 3.8Å; L173-I220 HydrophobicContact CD1-CG2 3.64Å; L173-I220 HydrophobicContact CG-CB 4.11Å; L173-I220 HydrophobicContact CG-CG2 4.08Å; L173-I220 PolarHBondContact N-O 3.3Å; L173-I220 VanDerWaalsContact N-O 3.16Å; L173-L222 HydrophobicContact CD2-CD1 4Å; L173-L222 HydrophobicContact CD2-CG 4.1Å; L173-L547 HydrophobicContact CB-CD2 4.07Å; L173-L547 HydrophobicContact CD1-CD1 3.89Å; L173-L547 HydrophobicContact CD1-CD2 3.95Å
174	L	95.1	Very high	95.5	Very high	31 Å²	31	40.5 Å²	40.5	16%	0.162	20%	0.195	C	C	.	.	H	α-helix	trans	-56.5	-37.9	175.8	-178.6	60.8	0	0	0	112.1	H172 W176 I177 I178 P217 E218	H172-L174 VanDerWaalsContact C-N 3.31Å; H172-L174 PolarHBondContact O-N 2.99Å; L174-W176 PolarHBondContact O-N 3.42Å; L174-W176 VanDerWaalsContact O-N 3.16Å; L174-I177 PolarHBondContact O-N 2.76Å; L174-I178 HydrophobicContact CD1-CD1 4.42Å; L174-I178 HydrophobicContact CD1-CG1 4.39Å; L174-I178 HydrophobicContact CG-CD1 4.03Å; L174-I178 HydrophobicContact CG-CG1 4.48Å; L174-I178 WeakPolarHBondContact O-CG1 3.45Å; L174-I178 PolarHBondContact O-N 3Å; L174-P217 HydrophobicContact CB-CB 4.07Å; L174-P217 PolarHBondContact N-O 2.96Å; L174-E218 HydrophobicContact CB-CG 4.15Å; L174-E218 HydrophobicContact CD2-CG 3.68Å
175	K	92.7	Very high	95.4	Very high	23 Å²	23	41 Å²	41	10%	0.1	20%	0.198	C	C	.	.	H	α-helix	trans	-67.5	-14.4	176.5	-167.5	157.7	-174.5	162	0	113.2	D54 Y171 H172 L173 K179	D54-K175 IonicContact OD1-NZ 2.64Å; D54-K175 PolarHBondContact OD1-NZ 2.87Å; D54-K175 IonicContact OD2-NZ 3.6Å; D54-K175 PolarHBondContact OD2-NZ 3.46Å; Y171-K175 HydrophobicContact CD1-CD 3.78Å; Y171-K175 HydrophobicContact CE1-CD 4.18Å; Y171-K175 HydrophobicContact CG-CD 4.12Å; H172-K175 PolarHBondContact O-N 3.37Å; L173-K175 PolarHBondContact O-N 3.16Å; K175-K179 WeakPolarHBondContact O-CD 3.31Å; K175-K179 VanDerWaalsContact O-CG 3.23Å; K175-K179 WeakPolarHBondContact O-CG 3.47Å
176	W	95.3	Very high	95.4	Very high	18 Å²	18	42.6 Å²	42.6	7%	0.068	21%	0.208	C	C	.	.	H	α-helix	trans	-95.2	-31.2	171.9	-66.3	101.9	0	0	0	113.3	Y171 L173 L174 I178 K179 S180 L222 N484 P485 L486	Y171-W176 HydrophobicContact CD2-CZ2 4.42Å; L173-W176 WeakPolarHBondContact O-CA 3.49Å; L173-W176 WeakPolarHBondContact O-CB 3.34Å; L173-W176 PolarHBondContact O-N 3.05Å; L174-W176 PolarHBondContact O-N 3.42Å; L174-W176 VanDerWaalsContact O-N 3.16Å; W176-I178 VanDerWaalsContact C-N 3.35Å; W176-K179 HydrophobicContact CD2-CD 4.28Å; W176-K179 HydrophobicContact CE3-CB 4.43Å; W176-K179 HydrophobicContact CE3-CD 3.66Å; W176-K179 HydrophobicContact CZ3-CD 3.82Å; W176-K179 PolarHBondContact O-N 3.32Å; W176-S180 PolarHBondContact O-N 3.47Å; W176-L222 HydrophobicContact CG-CD1 4.46Å; W176-L222 VanDerWaalsContact NE1-CD1 3.3Å; W176-N484 WeakPolarHBondContact CZ3-OD1 3.28Å; W176-P485 HydrophobicContact CB-CG 4.03Å; W176-P485 HydrophobicContact CD2-CG 3.45Å; W176-P485 VanDerWaalsContact CD2-CG 3.45Å; W176-P485 HydrophobicContact CE3-CG 3.7Å; W176-P485 HydrophobicContact CG-CG 3.6Å; W176-P485 HydrophobicContact CZ2-CG 4.48Å; W176-P485 HydrophobicContact CZ3-CG 4.31Å; W176-L486 HydrophobicContact CE3-CD1 4.36Å; W176-L486 HydrophobicContact CE3-CG 4.16Å
177	I	95.6	Very high	95.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.8	-43.2	168.2	-59.9	170.9	0	0	0	110.1	L173 L174 K179 S180 N181 Y182 L185 P217 E546 L547	L173-I177 PolarHBondContact O-N 3.18Å; L174-I177 PolarHBondContact O-N 2.76Å; I177-K179 PolarHBondContact O-N 3.4Å; I177-S180 PolarHBondContact O-N 2.82Å; I177-S180 PolarHBondContact O-OG 3.29Å; I177-S180 VanDerWaalsContact O-OG 3.12Å; I177-N181 PolarHBondContact O-N 3.34Å; I177-Y182 HydrophobicContact CG2-CD1 3.76Å; I177-Y182 HydrophobicContact CG2-CE1 4.2Å; I177-Y182 HydrophobicContact CG2-CG 4.39Å; I177-Y182 PolarHBondContact O-N 2.92Å; I177-L185 HydrophobicContact CG1-CD1 3.97Å; I177-P217 HydrophobicContact CD1-CB 3.81Å; I177-P217 HydrophobicContact CD1-CG 3.74Å; I177-E546 HydrophobicContact CD1-CG 4.23Å; I177-L547 HydrophobicContact CD1-CD2 3.92Å; I177-L547 HydrophobicContact CG1-CD2 4.09Å
178	I	93.6	Very high	95.3	Very high	44 Å²	44	44.1 Å²	44.1	23%	0.226	22%	0.221	C	C	.	.	H	α-helix	trans	-59.4	-46.2	172.9	-67.1	164.9	0	0	0	110.4	L174 W176 S180 N181 Y182	L174-I178 HydrophobicContact CD1-CD1 4.42Å; L174-I178 HydrophobicContact CD1-CG1 4.39Å; L174-I178 HydrophobicContact CG-CD1 4.03Å; L174-I178 HydrophobicContact CG-CG1 4.48Å; L174-I178 WeakPolarHBondContact O-CG1 3.45Å; L174-I178 PolarHBondContact O-N 3Å; W176-I178 VanDerWaalsContact C-N 3.35Å; I178-S180 VanDerWaalsContact C-N 3.3Å; I178-S180 PolarHBondContact O-N 3.45Å; I178-N181 WeakPolarHBondContact O-CA 3.48Å; I178-N181 PolarHBondContact O-N 3.17Å; I178-Y182 HydrophobicContact CG1-CE2 4.38Å
179	K	93.6	Very high	95.4	Very high	93 Å²	93	43.4 Å²	43.4	40%	0.404	22%	0.217	S	C	.	.	H	α-helix	trans	-67.8	-21.7	178.3	-78.7	175.9	177.6	-175	0	114.8	K175 W176 I177 L486	K175-K179 WeakPolarHBondContact O-CD 3.31Å; K175-K179 VanDerWaalsContact O-CG 3.23Å; K175-K179 WeakPolarHBondContact O-CG 3.47Å; W176-K179 HydrophobicContact CD2-CD 4.28Å; W176-K179 HydrophobicContact CE3-CB 4.43Å; W176-K179 HydrophobicContact CE3-CD 3.66Å; W176-K179 HydrophobicContact CZ3-CD 3.82Å; W176-K179 PolarHBondContact O-N 3.32Å; I177-K179 PolarHBondContact O-N 3.4Å; K179-L486 HydrophobicContact CB-CD1 4.17Å
180	S	94.8	Very high	95.6	Very high	19 Å²	19	42.3 Å²	42.3	13%	0.133	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	9.5	170.3	75.2	0	0	0	0	112.8	W176 I177 I178 Y182 Q183 G184	W176-S180 PolarHBondContact O-N 3.47Å; I177-S180 PolarHBondContact O-N 2.82Å; I177-S180 PolarHBondContact O-OG 3.29Å; I177-S180 VanDerWaalsContact O-OG 3.12Å; I178-S180 VanDerWaalsContact C-N 3.3Å; I178-S180 PolarHBondContact O-N 3.45Å; S180-Y182 PolarHBondContact O-N 3.14Å; S180-Q183 VanDerWaalsContact O-CB 3.3Å; S180-Q183 WeakPolarHBondContact O-CB 3.5Å; S180-Q183 VanDerWaalsContact O-CG 3.24Å; S180-Q183 WeakPolarHBondContact O-CG 3.35Å; S180-Q183 PolarHBondContact O-N 3.33Å; S180-Q183 VanDerWaalsContact O-N 3.1Å; S180-G184 WeakPolarHBondContact CB-O 3.13Å; S180-G184 PolarHBondContact OG-O 2.68Å
181	N	96.1	Very high	95.9	Very high	113 Å²	113	42.4 Å²	42.4	60%	0.604	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	53	40	-174.4	-60.8	-39.8	0	0	0	112.2	I177 I178 Q183	I177-N181 PolarHBondContact O-N 3.34Å; I178-N181 WeakPolarHBondContact O-CA 3.48Å; I178-N181 PolarHBondContact O-N 3.17Å; N181-Q183 PolarHBondContact O-N 2.73Å; N181-Q183 PolarHBondContact O-NE2 3.16Å
182	Y	95.9	Very high	96.2	Very high	114 Å²	114	39.2 Å²	39.2	45%	0.447	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	54	38.4	-176.8	-56.4	-98	0	0	0	112.9	I177 I178 S180 G550	I177-Y182 HydrophobicContact CG2-CD1 3.76Å; I177-Y182 HydrophobicContact CG2-CE1 4.2Å; I177-Y182 HydrophobicContact CG2-CG 4.39Å; I177-Y182 PolarHBondContact O-N 2.92Å; I178-Y182 HydrophobicContact CG1-CE2 4.38Å; S180-Y182 PolarHBondContact O-N 3.14Å; Y182-G550 WeakPolarHBondContact O-CA 3.4Å
183	Q	96.9	Very high	96.4	Very high	150 Å²	150	36.9 Å²	36.9	70%	0.701	18%	0.183	S	C	*	.	S	Bend	trans	-99.9	14.6	172.6	-55.2	-55.4	-77.2	0	0	112.7	S180 N181	S180-Q183 VanDerWaalsContact O-CB 3.3Å; S180-Q183 WeakPolarHBondContact O-CB 3.5Å; S180-Q183 VanDerWaalsContact O-CG 3.24Å; S180-Q183 WeakPolarHBondContact O-CG 3.35Å; S180-Q183 PolarHBondContact O-N 3.33Å; S180-Q183 VanDerWaalsContact O-N 3.1Å; N181-Q183 PolarHBondContact O-N 2.73Å; N181-Q183 PolarHBondContact O-NE2 3.16Å
184	G	96.8	Very high	96.5	Very high	5 Å²	5	36.9 Å²	36.9	5%	0.052	18%	0.183	C	C	.	.			trans	74.3	-168.1	-172.4	0	0	0	0	0	113.5	S180 L547	S180-G184 WeakPolarHBondContact CB-O 3.13Å; S180-G184 PolarHBondContact OG-O 2.68Å; G184-L547 CarbonylContact C-O 3.58Å
185	L	97.9	Very high	96.7	Very high	11 Å²	11	39 Å²	39	6%	0.058	19%	0.189	C	C	.	.			trans	-122.9	155.9	175.8	-79	72.5	0	0	0	109.4	I177 Q187 V190 I193 P485 L486 L547	I177-L185 HydrophobicContact CG1-CD1 3.97Å; L185-Q187 PolarHBondContact O-N 2.9Å; L185-V190 HydrophobicContact CB-CG2 3.85Å; L185-I193 HydrophobicContact CD2-CD1 4.1Å; L185-P485 HydrophobicContact CD2-CB 4.07Å; L185-P485 HydrophobicContact CD2-CG 4.5Å; L185-L486 HydrophobicContact CG-CD2 4.06Å; L185-L547 WeakPolarHBondContact CB-O 3.19Å; L185-L547 HydrophobicContact CD1-CD2 4.15Å; L185-L547 HydrophobicContact CD2-CD2 4.4Å; L185-L547 PolarHBondContact N-O 2.99Å
186	P	97.9	Very high	96.9	Very high	34 Å²	34	38.2 Å²	38.2	22%	0.221	19%	0.186	C	C	.	.			trans	-56.3	132.9	177	-22.1	31.4	0	0	0	112.3	P188 C189 V190 P485 L486 P488	P186-P188 VanDerWaalsContact C-CD 3.44Å; P186-P188 VanDerWaalsContact C-N 3.35Å; P186-P188 VanDerWaalsContact O-N 3.15Å; P186-C189 WeakPolarHBondContact O-CA 3.32Å; P186-C189 VanDerWaalsContact O-CB 3.27Å; P186-C189 WeakPolarHBondContact O-CB 3.45Å; P186-C189 PolarHBondContact O-N 3.26Å; P186-V190 PolarHBondContact O-N 3.01Å; P186-V190 VanDerWaalsContact O-N 3.1Å; P186-P485 WeakPolarHBondContact CD-O 3.43Å; P186-L486 WeakPolarHBondContact CG-O 3.14Å; P186-P488 HydrophobicContact CB-CB 3.94Å; P186-P488 HydrophobicContact CG-CB 4.47Å
187	Q	96.1	Very high	97.1	Very high	33 Å²	33	37.4 Å²	37.4	15%	0.154	18%	0.183	C	C	.	.	H	α-helix	trans	-50.2	-41.1	-176.2	-81.7	-176.1	50.9	0	0	115.3	L185 C189 V190 K191 W621 E625	L185-Q187 PolarHBondContact O-N 2.9Å; Q187-C189 VanDerWaalsContact C-N 3.26Å; Q187-C189 PolarHBondContact O-N 3.47Å; Q187-V190 PolarHBondContact O-N 3.25Å; Q187-V190 VanDerWaalsContact O-N 3.16Å; Q187-K191 WeakPolarHBondContact O-CB 3.36Å; Q187-K191 WeakPolarHBondContact O-CG 3.4Å; Q187-K191 PolarHBondContact O-N 3.02Å; Q187-W621 HydrophobicContact CG-CH2 4.19Å; Q187-E625 PolarHBondContact NE2-OE1 3.29Å
188	P	97.6	Very high	97.3	Very high	63 Å²	63	37.4 Å²	37.4	41%	0.409	18%	0.183	S	C	.	.	H	α-helix	trans	-57.6	-39.1	175	-27	37	0	0	0	112.9	P186 S192 P488 A491	P186-P188 VanDerWaalsContact C-CD 3.44Å; P186-P188 VanDerWaalsContact C-N 3.35Å; P186-P188 VanDerWaalsContact O-N 3.15Å; P188-S192 WeakPolarHBondContact O-CB 3.4Å; P188-S192 PolarHBondContact O-N 3.49Å; P188-P488 HydrophobicContact CG-CB 4.5Å; P188-A491 HydrophobicContact CB-CB 3.7Å
189	C	98.1	Very high	97.5	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-66.9	-45	175.4	-60.5	0	0	0	0	111	P186 Q187 S192 I193 P485 L494	P186-C189 WeakPolarHBondContact O-CA 3.32Å; P186-C189 VanDerWaalsContact O-CB 3.27Å; P186-C189 WeakPolarHBondContact O-CB 3.45Å; P186-C189 PolarHBondContact O-N 3.26Å; Q187-C189 VanDerWaalsContact C-N 3.26Å; Q187-C189 PolarHBondContact O-N 3.47Å; C189-S192 PolarHBondContact O-N 2.94Å; C189-I193 WeakPolarHBondContact O-CB 3.22Å; C189-I193 WeakPolarHBondContact O-CD1 3.35Å; C189-I193 VanDerWaalsContact O-CG1 3.24Å; C189-I193 WeakPolarHBondContact O-CG1 3.2Å; C189-I193 PolarHBondContact O-N 3.01Å; C189-P485 PolarHBondContact SG-O 3.13Å; C189-L494 HydrophobicContact CB-CD1 3.6Å
190	V	98.4	Very high	97.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-61.6	-46.3	177.6	-173.2	0	0	0	0	111.4	L185 P186 Q187 S192 I193 I194 L547 A548 W655	L185-V190 HydrophobicContact CB-CG2 3.85Å; P186-V190 PolarHBondContact O-N 3.01Å; P186-V190 VanDerWaalsContact O-N 3.1Å; Q187-V190 PolarHBondContact O-N 3.25Å; Q187-V190 VanDerWaalsContact O-N 3.16Å; V190-S192 PolarHBondContact O-N 3.03Å; V190-I193 PolarHBondContact O-N 3.36Å; V190-I194 HydrophobicContact CG1-CG1 4.11Å; V190-I194 WeakPolarHBondContact O-CB 3.45Å; V190-I194 WeakPolarHBondContact O-CG1 3.2Å; V190-I194 PolarHBondContact O-N 3.29Å; V190-L547 HydrophobicContact CG1-CB 3.9Å; V190-L547 HydrophobicContact CG2-CB 4.2Å; V190-L547 WeakPolarHBondContact CG2-O 3.46Å; V190-A548 HydrophobicContact CG1-CB 4.41Å; V190-W655 HydrophobicContact CG1-CH2 4.22Å
191	K	98.4	Very high	98	Very high	20 Å²	20	32.7 Å²	32.7	9%	0.087	16%	0.159	C	C	.	.	H	α-helix	trans	-55.2	-48.9	173.7	-72.8	172.9	172.9	-173.5	0	111.4	Q187 I193 R195 W655 S658	Q187-K191 WeakPolarHBondContact O-CB 3.36Å; Q187-K191 WeakPolarHBondContact O-CG 3.4Å; Q187-K191 PolarHBondContact O-N 3.02Å; K191-I193 PolarHBondContact O-N 2.79Å; K191-R195 WeakPolarHBondContact O-CB 3.43Å; K191-R195 PolarHBondContact O-N 3.28Å; K191-W655 HydrophobicContact CB-CH2 4.36Å; K191-W655 HydrophobicContact CB-CZ3 4.46Å; K191-W655 VanDerWaalsContact CD-O 3.29Å; K191-W655 WeakPolarHBondContact CD-O 3.36Å; K191-W655 WeakPolarHBondContact CE-O 3.27Å; K191-W655 HydrophobicContact CG-CD2 4.02Å; K191-W655 HydrophobicContact CG-CE3 4.1Å; K191-W655 HydrophobicContact CG-CH2 3.63Å; K191-W655 HydrophobicContact CG-CZ2 3.53Å; K191-W655 HydrophobicContact CG-CZ3 3.92Å; K191-S658 VanDerWaalsContact CD-O 3.28Å; K191-S658 WeakPolarHBondContact CD-O 3.49Å; K191-S658 PolarHBondContact NZ-O 3.49Å; K191-S658 PolarHBondContact NZ-OG 2.56Å; K191-S658 PolarHBondContact NZ-OXT 3.38Å
192	S	98.1	Very high	98.1	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.021	14%	0.141	C	C	.	.	H	α-helix	trans	-66	-36.3	-179.5	-165.7	0	0	0	0	113.3	P188 C189 V190 R195 Q196 A491	P188-S192 WeakPolarHBondContact O-CB 3.4Å; P188-S192 PolarHBondContact O-N 3.49Å; C189-S192 PolarHBondContact O-N 2.94Å; V190-S192 PolarHBondContact O-N 3.03Å; S192-R195 PolarHBondContact OG-NH2 2.83Å; S192-R195 VanDerWaalsContact OG-NH2 3.16Å; S192-Q196 VanDerWaalsContact O-CG 3.31Å; S192-Q196 WeakPolarHBondContact O-CG 3.49Å; S192-Q196 PolarHBondContact O-N 3.28Å; S192-Q196 PolarHBondContact O-NE2 3.44Å; S192-A491 WeakPolarHBondContact CB-O 3.44Å; S192-A491 PolarHBondContact OG-O 3.16Å
193	I	98.6	Very high	98.2	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-67.2	-55.4	174.4	-72.3	165.4	0	0	0	110.6	L173 L185 C189 V190 K191 R195 Q196 V197 L494 V496 L547	L173-I193 HydrophobicContact CD1-CD1 4.36Å; L173-I193 HydrophobicContact CD1-CG2 3.58Å; L173-I193 HydrophobicContact CD2-CD1 4Å; L185-I193 HydrophobicContact CD2-CD1 4.1Å; C189-I193 WeakPolarHBondContact O-CB 3.22Å; C189-I193 WeakPolarHBondContact O-CD1 3.35Å; C189-I193 VanDerWaalsContact O-CG1 3.24Å; C189-I193 WeakPolarHBondContact O-CG1 3.2Å; C189-I193 PolarHBondContact O-N 3.01Å; V190-I193 PolarHBondContact O-N 3.36Å; K191-I193 PolarHBondContact O-N 2.79Å; I193-R195 VanDerWaalsContact C-N 3.32Å; I193-R195 PolarHBondContact O-N 3.06Å; I193-Q196 WeakPolarHBondContact O-CB 3.46Å; I193-Q196 PolarHBondContact O-N 2.87Å; I193-V197 HydrophobicContact CG2-CG2 4.42Å; I193-V197 PolarHBondContact O-N 3.08Å; I193-L494 HydrophobicContact CD1-CD1 4.17Å; I193-L494 HydrophobicContact CG1-CD1 4.23Å; I193-V496 HydrophobicContact CG1-CG1 4.2Å; I193-V496 HydrophobicContact CG2-CG2 4.45Å; I193-L547 HydrophobicContact CG2-CD1 4.04Å
194	I	98.8	Very high	98.3	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-64.5	-36.8	-175.3	-66	-61.3	0	0	0	111.5	V190 Q196 V197 L198 T540 M543 A544 L547 F632 L656	V190-I194 HydrophobicContact CG1-CG1 4.11Å; V190-I194 WeakPolarHBondContact O-CB 3.45Å; V190-I194 WeakPolarHBondContact O-CG1 3.2Å; V190-I194 PolarHBondContact O-N 3.29Å; I194-Q196 PolarHBondContact O-N 2.74Å; I194-V197 PolarHBondContact O-N 3.16Å; I194-L198 HydrophobicContact CG2-CD1 3.82Å; I194-L198 HydrophobicContact CG2-CG 4.27Å; I194-L198 WeakPolarHBondContact O-CB 3.18Å; I194-L198 VanDerWaalsContact O-CG 3.3Å; I194-L198 WeakPolarHBondContact O-CG 3.44Å; I194-L198 PolarHBondContact O-N 2.88Å; I194-T540 HydrophobicContact CD1-CG2 4.25Å; I194-T540 HydrophobicContact CG2-CG2 4.4Å; I194-M543 HydrophobicContact CD1-CE 3.99Å; I194-A544 HydrophobicContact CD1-CB 3.72Å; I194-A544 HydrophobicContact CG1-CB 3.84Å; I194-L547 HydrophobicContact CD1-CD1 4.09Å; I194-F632 HydrophobicContact CG2-CE1 3.97Å; I194-F632 HydrophobicContact CG2-CZ 3.83Å; I194-L656 HydrophobicContact CG2-CD2 4.3Å
195	R	98.8	Very high	98.4	Very high	75 Å²	75	17.4 Å²	17.4	28%	0.283	9%	0.088	S	C	.	.	H	α-helix	trans	-53.6	-40.3	169.8	-179.5	169.5	61.2	-159.9	6.6	112.6	K191 S192 I193 Q199 D492 L651 L656	K191-R195 WeakPolarHBondContact O-CB 3.43Å; K191-R195 PolarHBondContact O-N 3.28Å; S192-R195 PolarHBondContact OG-NH2 2.83Å; S192-R195 VanDerWaalsContact OG-NH2 3.16Å; I193-R195 VanDerWaalsContact C-N 3.32Å; I193-R195 PolarHBondContact O-N 3.06Å; R195-Q199 WeakPolarHBondContact O-CG 3.47Å; R195-Q199 PolarHBondContact O-N 3.39Å; R195-Q199 VanDerWaalsContact O-N 3.16Å; R195-D492 IonicContact NH2-OD1 3.44Å; R195-L651 HydrophobicContact CG-CD2 4.49Å; R195-L651 VanDerWaalsContact O-CD2 3.32Å; R195-L651 WeakPolarHBondContact O-CD2 3.23Å; R195-L656 HydrophobicContact CB-CD1 4.46Å; R195-L656 HydrophobicContact CB-CD2 4.14Å; R195-L656 PolarHBondContact NH1-O 3.06Å
196	Q	98.7	Very high	98.4	Very high	7 Å²	7	19 Å²	19	3%	0.033	10%	0.103	C	C	.	.	H	α-helix	trans	-80.5	-35.8	-179.6	-70.6	177.9	75.8	0	0	113	K144 S192 I193 I194 L198 Q199 G200 L494 V496	K144-Q196 WeakPolarHBondContact CB-O 3.32Å; K144-Q196 HydrophobicContact CD-CB 4.1Å; K144-Q196 HydrophobicContact CD-CG 4.22Å; S192-Q196 VanDerWaalsContact O-CG 3.31Å; S192-Q196 WeakPolarHBondContact O-CG 3.49Å; S192-Q196 PolarHBondContact O-N 3.28Å; S192-Q196 PolarHBondContact O-NE2 3.44Å; I193-Q196 WeakPolarHBondContact O-CB 3.46Å; I193-Q196 PolarHBondContact O-N 2.87Å; I194-Q196 PolarHBondContact O-N 2.74Å; Q196-L198 VanDerWaalsContact C-N 3.34Å; Q196-Q199 WeakPolarHBondContact O-CB 3.33Å; Q196-Q199 PolarHBondContact O-N 3.43Å; Q196-G200 PolarHBondContact O-N 2.97Å; Q196-G200 VanDerWaalsContact O-N 3.07Å; Q196-L494 PolarHBondContact NE2-O 3.01Å; Q196-V496 HydrophobicContact CB-CG2 3.49Å; Q196-V496 VanDerWaalsContact CB-CG2 3.49Å; Q196-V496 HydrophobicContact CG-CG2 4.38Å; Q196-V496 VanDerWaalsContact OE1-N 3.14Å
197	V	98.9	Very high	98.4	Very high	1 Å²	1	21 Å²	21	1%	0.006	11%	0.109	C	C	.	.	H	α-helix	trans	-61	-45.1	170.8	176.7	0	0	0	0	110.4	I193 I194 Q199 G200 L201 I215 I220 I498 T540 M543	I193-V197 HydrophobicContact CG2-CG2 4.42Å; I193-V197 PolarHBondContact O-N 3.08Å; I194-V197 PolarHBondContact O-N 3.16Å; V197-Q199 PolarHBondContact O-N 3.46Å; V197-G200 PolarHBondContact O-N 3.25Å; V197-G200 VanDerWaalsContact O-N 3.15Å; V197-L201 HydrophobicContact CG1-CD1 4.19Å; V197-L201 HydrophobicContact CG1-CG 4.43Å; V197-L201 PolarHBondContact O-N 3.47Å; V197-I215 HydrophobicContact CG1-CG2 4.48Å; V197-I220 HydrophobicContact CG1-CD1 4.23Å; V197-I220 HydrophobicContact CG2-CD1 3.84Å; V197-I220 HydrophobicContact CG2-CG1 4.05Å; V197-I220 HydrophobicContact CG2-CG2 4Å; V197-I498 HydrophobicContact CG1-CD1 4.36Å; V197-I498 HydrophobicContact CG1-CG1 4.47Å; V197-T540 HydrophobicContact CG1-CG2 4.12Å; V197-M543 HydrophobicContact CG1-CE 4.02Å; V197-M543 HydrophobicContact CG2-CE 4.09Å
198	L	98.9	Very high	98.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-65.1	-35.3	177.8	-70.3	167.8	0	0	0	112.8	I194 Q196 L201 D202 I537 T540 F632 M636 A647 C650 L651 L656	I194-L198 HydrophobicContact CG2-CD1 3.82Å; I194-L198 HydrophobicContact CG2-CG 4.27Å; I194-L198 WeakPolarHBondContact O-CB 3.18Å; I194-L198 VanDerWaalsContact O-CG 3.3Å; I194-L198 WeakPolarHBondContact O-CG 3.44Å; I194-L198 PolarHBondContact O-N 2.88Å; Q196-L198 VanDerWaalsContact C-N 3.34Å; L198-L201 PolarHBondContact O-N 3.17Å; L198-D202 WeakPolarHBondContact O-CB 3.19Å; L198-D202 PolarHBondContact O-N 3.09Å; L198-I537 HydrophobicContact CD2-CD1 4.29Å; L198-T540 HydrophobicContact CD2-CG2 4.19Å; L198-T540 HydrophobicContact CG-CG2 4.45Å; L198-F632 HydrophobicContact CD1-CE2 4.37Å; L198-F632 HydrophobicContact CD1-CZ 3.93Å; L198-M636 HydrophobicContact CD2-CE 4.23Å; L198-A647 HydrophobicContact CD2-CB 4.38Å; L198-C650 HydrophobicContact CD1-CB 3.56Å; L198-C650 HydrophobicContact CD2-CB 3.92Å; L198-C650 HydrophobicContact CG-CB 4.34Å; L198-L651 HydrophobicContact CB-CD1 4.5Å; L198-L651 HydrophobicContact CB-CD2 3.66Å; L198-L651 HydrophobicContact CB-CG 3.87Å; L198-L656 HydrophobicContact CD1-CD1 3.84Å
199	Q	98.8	Very high	98.6	Very high	57 Å²	57	21.5 Å²	21.5	27%	0.266	10%	0.104	S	C	.	.	H	α-helix	trans	-59.4	-46.8	169.7	-77.5	166.7	-9.9	0	0	111.6	S141 K144 R195 Q196 V197 D202 Y203 L651	S141-Q199 WeakPolarHBondContact CB-O 3.1Å; K144-Q199 HydrophobicContact CB-CB 4.34Å; K144-Q199 HydrophobicContact CG-CB 3.82Å; R195-Q199 WeakPolarHBondContact O-CG 3.47Å; R195-Q199 PolarHBondContact O-N 3.39Å; R195-Q199 VanDerWaalsContact O-N 3.16Å; Q196-Q199 WeakPolarHBondContact O-CB 3.33Å; Q196-Q199 PolarHBondContact O-N 3.43Å; V197-Q199 PolarHBondContact O-N 3.46Å; Q199-D202 PolarHBondContact O-N 2.94Å; Q199-Y203 PolarHBondContact O-N 3.09Å; Q199-Y203 VanDerWaalsContact O-N 3.15Å; Q199-L651 HydrophobicContact CG-CD1 4.16Å; Q199-L651 HydrophobicContact CG-CD2 3.91Å
200	G	98.8	Very high	98.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-63	-42	177.2	0	0	0	0	0	112.9	Q196 V197 Y203 L204	Q196-G200 PolarHBondContact O-N 2.97Å; Q196-G200 VanDerWaalsContact O-N 3.07Å; V197-G200 PolarHBondContact O-N 3.25Å; V197-G200 VanDerWaalsContact O-N 3.15Å; G200-Y203 PolarHBondContact O-N 3.25Å; G200-L204 WeakPolarHBondContact O-CG 3.35Å; G200-L204 PolarHBondContact O-N 3.28Å
201	L	98.9	Very high	98.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-65.7	-41.9	175.9	-72.3	179.2	0	0	0	112.4	V197 L198 Y203 L204 H205 H212 I215 I498 D536 I537 T540 A647	V197-L201 HydrophobicContact CG1-CD1 4.19Å; V197-L201 HydrophobicContact CG1-CG 4.43Å; V197-L201 PolarHBondContact O-N 3.47Å; L198-L201 PolarHBondContact O-N 3.17Å; L201-Y203 VanDerWaalsContact C-N 3.29Å; L201-Y203 PolarHBondContact O-N 3.26Å; L201-L204 HydrophobicContact CD2-CD1 4.35Å; L201-L204 PolarHBondContact O-N 3.32Å; L201-L204 VanDerWaalsContact O-N 3.14Å; L201-H205 VanDerWaalsContact O-CB 3.29Å; L201-H205 WeakPolarHBondContact O-CB 3.3Å; L201-H205 PolarHBondContact O-CD2 3.16Å; L201-H205 PolarHBondContact O-N 2.93Å; L201-H212 HydrophobicContact CD2-CB 4.43Å; L201-I215 HydrophobicContact CD2-CD1 3.97Å; L201-I215 HydrophobicContact CD2-CG1 4.13Å; L201-I498 HydrophobicContact CD2-CD1 4.01Å; L201-I498 HydrophobicContact CG-CD1 3.94Å; L201-D536 HydrophobicContact CD1-CB 4.11Å; L201-D536 HydrophobicContact CD2-CB 3.82Å; L201-I537 HydrophobicContact CD1-CD1 4.35Å; L201-T540 WeakPolarHBondContact CD1-OG1 3.5Å; L201-A647 HydrophobicContact CB-CB 4.15Å
202	D	98.8	Very high	98.7	Very high	41 Å²	41	20.6 Å²	20.6	22%	0.219	10%	0.1	C	C	.	.	H	α-helix	trans	-61.8	-39.2	177.3	-158.2	63	0	0	0	111.3	L198 Q199 A206 A647 A648 L651	L198-D202 WeakPolarHBondContact O-CB 3.19Å; L198-D202 PolarHBondContact O-N 3.09Å; Q199-D202 PolarHBondContact O-N 2.94Å; D202-A206 WeakPolarHBondContact O-CA 3.41Å; D202-A206 WeakPolarHBondContact O-CB 3.41Å; D202-A206 PolarHBondContact O-N 2.92Å; D202-A647 HydrophobicContact CB-CB 3.67Å; D202-A648 WeakPolarHBondContact OD1-CB 3.21Å; D202-A648 PolarHBondContact OD1-N 3.27Å; D202-L651 HydrophobicContact CB-CD1 4.28Å
203	Y	98.8	Very high	98.7	Very high	1 Å²	1	20.6 Å²	20.6	0%	0.004	10%	0.1	C	C	.	.	I	π-helix	trans	-62.7	-44.8	172.3	-175.3	-101	0	0	0	112.9	V132 D136 D139 R142 Q199 G200 L201 K207 C208	V132-Y203 HydrophobicContact CG1-CD1 4.5Å; V132-Y203 HydrophobicContact CG1-CE1 4.01Å; V132-Y203 VanDerWaalsContact O-CE1 3.28Å; V132-Y203 WeakPolarHBondContact O-CE1 3.05Å; V132-Y203 PolarHBondContact O-OH 3.41Å; D136-Y203 HydrophobicContact CB-CE2 4.27Å; D136-Y203 PolarHBondContact N-OH 3.29Å; D139-Y203 HydrophobicContact CB-CD2 3.82Å; D139-Y203 HydrophobicContact CB-CE2 3.72Å; R142-Y203 HydrophobicContact CB-CD1 4.2Å; R142-Y203 HydrophobicContact CB-CD2 4.18Å; R142-Y203 HydrophobicContact CB-CE1 3.85Å; R142-Y203 HydrophobicContact CB-CE2 3.84Å; R142-Y203 HydrophobicContact CB-CG 4.36Å; R142-Y203 HydrophobicContact CG-CD1 4.33Å; R142-Y203 HydrophobicContact CG-CE1 3.63Å; R142-Y203 HydrophobicContact CG-CE2 4.33Å; Q199-Y203 PolarHBondContact O-N 3.09Å; Q199-Y203 VanDerWaalsContact O-N 3.15Å; G200-Y203 PolarHBondContact O-N 3.25Å; L201-Y203 VanDerWaalsContact C-N 3.29Å; L201-Y203 PolarHBondContact O-N 3.26Å; Y203-K207 HydrophobicContact CD2-CB 4.03Å; Y203-K207 HydrophobicContact CD2-CG 3.71Å; Y203-K207 HydrophobicContact CE2-CB 3.97Å; Y203-K207 HydrophobicContact CE2-CG 3.89Å; Y203-K207 WeakPolarHBondContact O-CA 3.3Å; Y203-K207 VanDerWaalsContact O-CB 3.28Å; Y203-K207 WeakPolarHBondContact O-CB 3.5Å; Y203-K207 PolarHBondContact O-N 2.9Å; Y203-K207 VanDerWaalsContact O-N 3.08Å; Y203-C208 WeakPolarHBondContact CE1-SG 3.07Å; Y203-C208 PolarHBondContact O-N 3.23Å; Y203-C208 VanDerWaalsContact O-N 3.07Å
204	L	98.8	Very high	98.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.102	C	C	.	.	I	π-helix	trans	-63.4	-45.2	177.6	-70.2	170.5	0	0	0	112.1	V132 V145 G200 L201 C208 K209 I210 I498 L501	V132-L204 HydrophobicContact CG2-CD2 3.53Å; V145-L204 HydrophobicContact CG2-CD1 4.15Å; V145-L204 HydrophobicContact CG2-CD2 4.34Å; V145-L204 HydrophobicContact CG2-CG 4.05Å; G200-L204 WeakPolarHBondContact O-CG 3.35Å; G200-L204 PolarHBondContact O-N 3.28Å; L201-L204 HydrophobicContact CD2-CD1 4.35Å; L201-L204 PolarHBondContact O-N 3.32Å; L201-L204 VanDerWaalsContact O-N 3.14Å; L204-C208 CarbonylContact O-C 3.56Å; L204-C208 WeakPolarHBondContact O-CB 3.41Å; L204-C208 PolarHBondContact O-N 2.61Å; L204-K209 PolarHBondContact O-N 3.01Å; L204-I210 CarbonylContact C-O 3.56Å; L204-I210 HydrophobicContact CD2-CB 4.18Å; L204-I210 HydrophobicContact CD2-CD1 4.44Å; L204-I210 HydrophobicContact CD2-CG2 4.15Å; L204-I210 PolarHBondContact O-N 3.37Å; L204-I498 HydrophobicContact CD1-CD1 4.27Å; L204-L501 HydrophobicContact CD2-CD2 4.47Å
205	H	98.8	Very high	98.7	Very high	19 Å²	19	20.9 Å²	20.9	9%	0.088	10%	0.102	C	C	.	.	I	π-helix	trans	-76.8	-50.6	-175.8	-63.3	179	0	0	0	112.4	L201 K209 I210 T533 D536	L201-H205 VanDerWaalsContact O-CB 3.29Å; L201-H205 WeakPolarHBondContact O-CB 3.3Å; L201-H205 PolarHBondContact O-CD2 3.16Å; L201-H205 PolarHBondContact O-N 2.93Å; H205-K209 VanDerWaalsContact O-CD 3.29Å; H205-K209 WeakPolarHBondContact O-CD 3.44Å; H205-K209 PolarHBondContact O-NZ 2.99Å; H205-I210 PolarHBondContact CD2-O 2.69Å; H205-T533 HydrophobicContact CB-CG2 3.87Å; H205-T533 PolarHBondContact CE1-O 2.96Å; H205-T533 VanDerWaalsContact CE1-O 3.22Å; H205-D536 IonicContact CD2-OD2 3.26Å; H205-D536 IonicContact CE1-OD2 3.92Å; H205-D536 IonicContact NE2-OD2 3.17Å; H205-D536 PolarHBondContact NE2-OD2 3.37Å
206	A	98.3	Very high	98.7	Very high	46 Å²	46	18.6 Å²	18.6	38%	0.38	9%	0.094	S	C	.	.	I	π-helix	trans	-81	-43.2	-173.4	0	0	0	0	0	112.2	D202 K209	D202-A206 WeakPolarHBondContact O-CA 3.41Å; D202-A206 WeakPolarHBondContact O-CB 3.41Å; D202-A206 PolarHBondContact O-N 2.92Å; A206-K209 PolarHBondContact O-NZ 3.46Å
207	K	98.3	Very high	98.7	Very high	76 Å²	76	18.2 Å²	18.2	33%	0.33	9%	0.092	S	C	.	.	I	π-helix	trans	-89.9	-63.1	179.4	-52.4	-61.5	-178.9	68.6	0	111.7	T135 D136 D139 Y203 K209	T135-K207 HydrophobicContact CG2-CB 4.03Å; D136-K207 HydrophobicContact CB-CD 4.49Å; D136-K207 IonicContact OD2-NZ 3.39Å; D136-K207 PolarHBondContact OD2-NZ 3.34Å; D139-K207 IonicContact OD2-NZ 2.76Å; D139-K207 PolarHBondContact OD2-NZ 2.88Å; Y203-K207 HydrophobicContact CD2-CB 4.03Å; Y203-K207 HydrophobicContact CD2-CG 3.71Å; Y203-K207 HydrophobicContact CE2-CB 3.97Å; Y203-K207 HydrophobicContact CE2-CG 3.89Å; Y203-K207 WeakPolarHBondContact O-CA 3.3Å; Y203-K207 VanDerWaalsContact O-CB 3.28Å; Y203-K207 WeakPolarHBondContact O-CB 3.5Å; Y203-K207 PolarHBondContact O-N 2.9Å; Y203-K207 VanDerWaalsContact O-N 3.08Å; K207-K209 PolarHBondContact O-N 3.06Å
208	C	98.4	Very high	98.5	Very high	4 Å²	4	20.9 Å²	20.9	3%	0.027	10%	0.104	C	C	.	.	I	π-helix	trans	-77.7	-18.9	-165.8	-55	0	0	0	0	115.2	Y203 L204 I210 W506	Y203-C208 WeakPolarHBondContact CE1-SG 3.07Å; Y203-C208 PolarHBondContact O-N 3.23Å; Y203-C208 VanDerWaalsContact O-N 3.07Å; L204-C208 CarbonylContact O-C 3.56Å; L204-C208 WeakPolarHBondContact O-CB 3.41Å; L204-C208 PolarHBondContact O-N 2.61Å; C208-I210 VanDerWaalsContact C-N 3.28Å; C208-I210 HydrophobicContact CB-CB 4.32Å; C208-I210 HydrophobicContact CB-CD1 3.82Å; C208-I210 HydrophobicContact CB-CG1 3.95Å; C208-I210 PolarHBondContact O-N 2.75Å; C208-W506 WeakPolarHBondContact O-CZ3 3.43Å
209	K	98.6	Very high	98.5	Very high	102 Å²	102	21.6 Å²	21.6	44%	0.443	11%	0.108	S	C	.	.			trans	57.1	40.2	-171.1	-50.2	-44.8	-169.1	-168.2	0	112.8	L204 H205 A206 K207 W506 V507	L204-K209 PolarHBondContact O-N 3.01Å; H205-K209 VanDerWaalsContact O-CD 3.29Å; H205-K209 WeakPolarHBondContact O-CD 3.44Å; H205-K209 PolarHBondContact O-NZ 2.99Å; A206-K209 PolarHBondContact O-NZ 3.46Å; K207-K209 PolarHBondContact O-N 3.06Å; K209-W506 WeakPolarHBondContact O-CA 3.29Å; K209-V507 HydrophobicContact CB-CB 4.48Å; K209-V507 HydrophobicContact CB-CG2 4.47Å; K209-V507 WeakPolarHBondContact O-CG2 3.48Å; K209-V507 PolarHBondContact O-N 3.12Å
210	I	98.8	Very high	98.4	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	144.2	176.2	-66.8	173.7	0	0	0	108.9	L128 V132 L204 H205 C208 A504 C505 W506	L128-I210 HydrophobicContact CB-CD1 4.24Å; L128-I210 HydrophobicContact CD2-CD1 3.7Å; L128-I210 HydrophobicContact CD2-CG1 3.76Å; L128-I210 HydrophobicContact CD2-CG2 4.2Å; V132-I210 HydrophobicContact CG2-CD1 3.87Å; L204-I210 CarbonylContact C-O 3.56Å; L204-I210 HydrophobicContact CD2-CB 4.18Å; L204-I210 HydrophobicContact CD2-CD1 4.44Å; L204-I210 HydrophobicContact CD2-CG2 4.15Å; L204-I210 PolarHBondContact O-N 3.37Å; H205-I210 PolarHBondContact CD2-O 2.69Å; C208-I210 VanDerWaalsContact C-N 3.28Å; C208-I210 HydrophobicContact CB-CB 4.32Å; C208-I210 HydrophobicContact CB-CD1 3.82Å; C208-I210 HydrophobicContact CB-CG1 3.95Å; C208-I210 PolarHBondContact O-N 2.75Å; I210-A504 HydrophobicContact CG2-CB 4.1Å; I210-C505 CarbonylContact C-O 3.48Å; I210-C505 WeakPolarHBondContact CA-O 3.28Å; I210-W506 HydrophobicContact CG1-CD2 4.41Å; I210-W506 HydrophobicContact CG1-CE3 4Å; I210-W506 HydrophobicContact CG1-CZ3 4.27Å
211	I	98.8	Very high	98.4	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	130.7	167.2	-48.7	166.5	0	0	0	105.7	T213 A504 C505 V507 Y531 T533 D536	I211-T213 HydrophobicContact CB-CG2 4.06Å; I211-T213 HydrophobicContact CG2-CG2 3.8Å; I211-A504 VanDerWaalsContact O-CA 3.31Å; I211-A504 WeakPolarHBondContact O-CA 3.47Å; I211-A504 WeakPolarHBondContact O-CB 3.37Å; I211-C505 PolarHBondContact N-O 3.1Å; I211-C505 PolarHBondContact O-N 2.64Å; I211-V507 HydrophobicContact CD1-CG2 4.07Å; I211-V507 HydrophobicContact CG1-CG2 3.64Å; I211-Y531 HydrophobicContact CD1-CD2 3.98Å; I211-Y531 HydrophobicContact CD1-CE2 3.74Å; I211-T533 HydrophobicContact CG1-CG2 4.07Å; I211-D536 WeakPolarHBondContact CG2-OD2 3.5Å
212	H	98.8	Very high	98.2	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	11%	0.108	C	C	.	.			trans	-74.6	-36.3	-177.8	-173.1	-86.9	0	0	0	112.1	L201 D214 I215 N219 I498 A499 D500 A504 D536	L201-H212 HydrophobicContact CD2-CB 4.43Å; H212-D214 PolarHBondContact CE1-O 2.9Å; H212-D214 VanDerWaalsContact ND1-C 3.34Å; H212-D214 PolarHBondContact ND1-N 3.35Å; H212-D214 PolarHBondContact ND1-O 3.4Å; H212-D214 PolarHBondContact O-N 3.21Å; H212-D214 VanDerWaalsContact O-N 3.11Å; H212-I215 HydrophobicContact CB-CD1 3.92Å; H212-I215 HydrophobicContact CB-CG1 4.03Å; H212-I215 WeakPolarHBondContact ND1-CD1 3.49Å; H212-N219 VanDerWaalsContact CE1-CB 3.42Å; H212-N219 WeakPolarHBondContact CE1-CB 3.49Å; H212-N219 PolarHBondContact CE1-ND2 2.83Å; H212-I498 VanDerWaalsContact CD2-CG2 3.48Å; H212-I498 WeakPolarHBondContact CD2-CG2 3.5Å; H212-A499 PolarHBondContact NE2-O 2.97Å; H212-D500 VanDerWaalsContact NE2-C 3.26Å; H212-D500 PolarHBondContact NE2-O 3.08Å; H212-A504 WeakPolarHBondContact O-CA 3.31Å; H212-D536 PolarHBondContact N-OD1 2.95Å; H212-D536 PolarHBondContact N-OD2 3.34Å
213	T	98.6	Very high	98	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.012	11%	0.112	C	C	.	.	S	Bend	trans	66.2	-8.6	176.2	89.5	0	0	0	0	116.9	I211 N503 I515 Q516 Y531 D536	I211-T213 HydrophobicContact CB-CG2 4.06Å; I211-T213 HydrophobicContact CG2-CG2 3.8Å; T213-N503 PolarHBondContact OG1-O 3.28Å; T213-I515 HydrophobicContact CG2-CD1 4.28Å; T213-I515 HydrophobicContact CG2-CG2 4.35Å; T213-Q516 WeakPolarHBondContact O-CA 3.4Å; T213-Q516 WeakPolarHBondContact O-CG 3.48Å; T213-Q516 PolarHBondContact O-N 2.78Å; T213-Y531 HydrophobicContact CG2-CE2 4.23Å; T213-D536 PolarHBondContact N-OD1 2.95Å
214	D	98.4	Very high	97.7	Very high	7 Å²	7	22.6 Å²	22.6	4%	0.037	12%	0.118	C	C	.	.			trans	-145.8	55.1	179.1	-163.4	39.1	0	0	0	112.3	H212 K216 N219 N503 T517	H212-D214 PolarHBondContact CE1-O 2.9Å; H212-D214 VanDerWaalsContact ND1-C 3.34Å; H212-D214 PolarHBondContact ND1-N 3.35Å; H212-D214 PolarHBondContact ND1-O 3.4Å; H212-D214 PolarHBondContact O-N 3.21Å; H212-D214 VanDerWaalsContact O-N 3.11Å; D214-K216 PolarHBondContact O-N 3.41Å; D214-K216 IonicContact OD1-NZ 2.75Å; D214-K216 WeakPolarHBondContact OD2-CE 3.33Å; D214-K216 IonicContact OD2-NZ 2.7Å; D214-K216 PolarHBondContact OD2-NZ 2.89Å; D214-N219 PolarHBondContact O-ND2 3.04Å; D214-N219 PolarHBondContact OD2-ND2 2.7Å; D214-N503 HydrophobicContact CB-CB 4.31Å; D214-N503 PolarHBondContact OD2-ND2 3.18Å; D214-T517 VanDerWaalsContact OD1-CB 3.27Å; D214-T517 WeakPolarHBondContact OD1-CB 3.44Å; D214-T517 PolarHBondContact OD1-N 2.74Å; D214-T517 PolarHBondContact OD1-OG1 3.21Å
215	I	98.8	Very high	97.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.134	C	C	.	.			trans	-75.4	121.3	173.9	-64.6	-68.9	0	0	0	110.1	V197 L201 H212 I220 I498 D536 S539 M543	V197-I215 HydrophobicContact CG1-CG2 4.48Å; L201-I215 HydrophobicContact CD2-CD1 3.97Å; L201-I215 HydrophobicContact CD2-CG1 4.13Å; H212-I215 HydrophobicContact CB-CD1 3.92Å; H212-I215 HydrophobicContact CB-CG1 4.03Å; H212-I215 WeakPolarHBondContact ND1-CD1 3.49Å; I215-I220 HydrophobicContact CD1-CD1 4.49Å; I215-I498 HydrophobicContact CD1-CD1 4.29Å; I215-I498 HydrophobicContact CD1-CG2 3.91Å; I215-D536 HydrophobicContact CG1-CB 4.27Å; I215-S539 WeakPolarHBondContact O-CB 3.07Å; I215-M543 HydrophobicContact CG2-CE 3.67Å; I215-M543 HydrophobicContact CG2-SD 4.16Å
216	K	98.5	Very high	96.6	Very high	26 Å²	26	29.4 Å²	29.4	11%	0.113	15%	0.152	C	C	.	.	S	Bend	trans	-164.4	163.5	-177.9	64.4	-167.3	-168.7	-158.3	0	110.8	D214 E218 N219 T517 Y520	D214-K216 PolarHBondContact O-N 3.41Å; D214-K216 IonicContact OD1-NZ 2.75Å; D214-K216 WeakPolarHBondContact OD2-CE 3.33Å; D214-K216 IonicContact OD2-NZ 2.7Å; D214-K216 PolarHBondContact OD2-NZ 2.89Å; K216-E218 VanDerWaalsContact CD-OE1 3.28Å; K216-E218 WeakPolarHBondContact CD-OE1 3.35Å; K216-E218 WeakPolarHBondContact CE-OE1 3.45Å; K216-E218 HydrophobicContact CG-CB 4.26Å; K216-E218 WeakPolarHBondContact CG-OE2 3.46Å; K216-E218 IonicContact NZ-OE1 2.73Å; K216-E218 PolarHBondContact O-N 3.38Å; K216-E218 VanDerWaalsContact O-N 3.13Å; K216-N219 WeakPolarHBondContact CE-ND2 3.34Å; K216-N219 HydrophobicContact CG-CB 4.22Å; K216-N219 PolarHBondContact O-N 2.86Å; K216-T517 HydrophobicContact CD-CG2 4.22Å; K216-T517 WeakPolarHBondContact CD-OG1 3.46Å; K216-T517 PolarHBondContact NZ-OG1 3.4Å; K216-Y520 HydrophobicContact CB-CD1 4.33Å; K216-Y520 HydrophobicContact CB-CD2 3.85Å; K216-Y520 HydrophobicContact CB-CE1 4.06Å; K216-Y520 HydrophobicContact CB-CE2 3.54Å; K216-Y520 HydrophobicContact CB-CG 4.23Å; K216-Y520 HydrophobicContact CD-CE2 4.39Å
217	P	98.4	Very high	96.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-54.7	-30.1	-178.1	-26.5	35	0	0	0	115.4	L173 L174 I177 N219 Y520 M543 E546	L173-P217 HydrophobicContact CB-CB 4Å; L173-P217 PolarHBondContact N-O 3.17Å; L174-P217 HydrophobicContact CB-CB 4.07Å; L174-P217 PolarHBondContact N-O 2.96Å; I177-P217 HydrophobicContact CD1-CB 3.81Å; I177-P217 HydrophobicContact CD1-CG 3.74Å; P217-N219 VanDerWaalsContact C-N 3.32Å; P217-Y520 WeakPolarHBondContact CD-OH 3.21Å; P217-M543 HydrophobicContact CG-CG 3.98Å; P217-M543 HydrophobicContact CG-SD 4.45Å; P217-E546 WeakPolarHBondContact CG-OE2 3.49Å
218	E	95.6	Very high	95.7	Very high	57 Å²	57	27.6 Å²	27.6	27%	0.266	14%	0.142	S	C	.	.	G	3₁₀ helix	trans	-66.1	-32.4	175.8	-52.4	95.3	99.2	0	0	112.8	H172 L174 K216	H172-E218 WeakPolarHBondContact CB-O 3.4Å; L174-E218 HydrophobicContact CB-CG 4.15Å; L174-E218 HydrophobicContact CD2-CG 3.68Å; K216-E218 VanDerWaalsContact CD-OE1 3.28Å; K216-E218 WeakPolarHBondContact CD-OE1 3.35Å; K216-E218 WeakPolarHBondContact CE-OE1 3.45Å; K216-E218 HydrophobicContact CG-CB 4.26Å; K216-E218 WeakPolarHBondContact CG-OE2 3.46Å; K216-E218 IonicContact NZ-OE1 2.73Å; K216-E218 PolarHBondContact O-N 3.38Å; K216-E218 VanDerWaalsContact O-N 3.13Å
219	N	97.7	Very high	95.3	Very high	15 Å²	15	28.1 Å²	28.1	8%	0.08	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-95.9	2.7	-173.6	-67.9	-10.3	0	0	0	113	H212 D214 K216 P217 A499	H212-N219 VanDerWaalsContact CE1-CB 3.42Å; H212-N219 WeakPolarHBondContact CE1-CB 3.49Å; H212-N219 PolarHBondContact CE1-ND2 2.83Å; D214-N219 PolarHBondContact O-ND2 3.04Å; D214-N219 PolarHBondContact OD2-ND2 2.7Å; K216-N219 WeakPolarHBondContact CE-ND2 3.34Å; K216-N219 HydrophobicContact CG-CB 4.22Å; K216-N219 PolarHBondContact O-N 2.86Å; P217-N219 VanDerWaalsContact C-N 3.32Å; N219-A499 PolarHBondContact O-N 2.83Å
220	I	98.4	Very high	94.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	115.3	172.1	-53.2	-53.5	0	0	0	109.1	H172 L173 V197 I215 V496 I498 M543	H172-I220 WeakPolarHBondContact CA-O 3.46Å; L173-I220 HydrophobicContact CD1-CB 3.8Å; L173-I220 HydrophobicContact CD1-CG2 3.64Å; L173-I220 HydrophobicContact CG-CB 4.11Å; L173-I220 HydrophobicContact CG-CG2 4.08Å; L173-I220 PolarHBondContact N-O 3.3Å; L173-I220 VanDerWaalsContact N-O 3.16Å; V197-I220 HydrophobicContact CG1-CD1 4.23Å; V197-I220 HydrophobicContact CG2-CD1 3.84Å; V197-I220 HydrophobicContact CG2-CG1 4.05Å; V197-I220 HydrophobicContact CG2-CG2 4Å; I215-I220 HydrophobicContact CD1-CD1 4.49Å; I220-V496 HydrophobicContact CG2-CB 3.87Å; I220-V496 HydrophobicContact CG2-CG1 4.17Å; I220-V496 HydrophobicContact CG2-CG2 4.24Å; I220-I498 HydrophobicContact CD1-CB 4.34Å; I220-I498 HydrophobicContact CD1-CG1 3.9Å; I220-I498 HydrophobicContact CD1-CG2 4.45Å; I220-M543 HydrophobicContact CD1-CE 4.45Å; I220-M543 HydrophobicContact CG1-CE 3.92Å; I220-M543 HydrophobicContact CG1-SD 3.74Å
221	L	97.3	Very high	94.3	Very high	36 Å²	36	28.7 Å²	28.7	19%	0.188	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	135.9	-176.4	-56.1	-176.9	0	0	0	111.2	L169 H172 V496 K497 A499	L169-L221 HydrophobicContact CB-CB 3.97Å; L169-L221 HydrophobicContact CB-CD1 3.93Å; L169-L221 HydrophobicContact CD1-CB 4.05Å; L169-L221 HydrophobicContact CD1-CD1 3.85Å; H172-L221 HydrophobicContact CB-CD2 3.66Å; L221-V496 CarbonylContact O-C 3.54Å; L221-V496 VanDerWaalsContact O-CA 3.26Å; L221-V496 WeakPolarHBondContact O-CA 3.29Å; L221-K497 PolarHBondContact N-O 3.42Å; L221-K497 PolarHBondContact O-N 3.43Å; L221-A499 HydrophobicContact CD1-CB 3.62Å; L221-A499 HydrophobicContact CG-CB 3.77Å
222	L	96.1	Very high	93.7	Very high	12 Å²	12	29.5 Å²	29.5	6%	0.063	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	137.8	168.2	-78.4	155	0	0	0	110.3	G170 Y171 L173 W176 P485 L494 Q495 V496	G170-L222 WeakPolarHBondContact CA-O 3.45Å; G170-L222 PolarHBondContact N-O 2.91Å; Y171-L222 PolarHBondContact O-N 2.87Å; Y171-L222 VanDerWaalsContact O-N 3.16Å; L173-L222 HydrophobicContact CD2-CD1 4Å; L173-L222 HydrophobicContact CD2-CG 4.1Å; W176-L222 HydrophobicContact CG-CD1 4.46Å; W176-L222 VanDerWaalsContact NE1-CD1 3.3Å; L222-P485 HydrophobicContact CD1-CG 4.17Å; L222-L494 HydrophobicContact CD2-CB 4.47Å; L222-L494 HydrophobicContact CD2-CD2 3.87Å; L222-Q495 WeakPolarHBondContact CA-O 3.23Å; L222-V496 HydrophobicContact CD2-CG1 3.57Å; L222-V496 HydrophobicContact CG-CG1 3.95Å
223	T	94.8	Very high	93.2	Very high	50 Å²	50	29.5 Å²	29.5	31%	0.307	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	150.7	170.1	71.7	0	0	0	0	110.3	L169 Q495 K497	L169-T223 HydrophobicContact CD2-CG2 3.86Å; T223-Q495 HydrophobicContact CG2-CB 3.96Å; T223-Q495 PolarHBondContact N-O 3.2Å; T223-Q495 WeakPolarHBondContact OG1-CB 3.49Å; T223-K497 HydrophobicContact CG2-CG 4.26Å
224	V	91.5	Very high	92.5	Very high	22 Å²	22	30.2 Å²	30.2	13%	0.133	16%	0.158	C	C	.	.			trans	-116.1	148	174.2	-70.5	0	0	0	0	111.3	V168 Y228 I229 L482	V168-V224 HydrophobicContact CG1-CG2 4.19Å; V224-Y228 HydrophobicContact CB-CD1 3.73Å; V224-Y228 HydrophobicContact CB-CE1 4.34Å; V224-Y228 HydrophobicContact CG1-CD1 3.77Å; V224-Y228 HydrophobicContact CG1-CE1 3.93Å; V224-Y228 HydrophobicContact CG2-CD1 4.16Å; V224-I229 HydrophobicContact CG2-CD1 3.99Å; V224-I229 HydrophobicContact CG2-CG1 3.69Å; V224-L482 HydrophobicContact CG1-CD2 3.57Å
225	N	87.6	Confident	91.8	Very high	65 Å²	65	32 Å²	32	35%	0.348	17%	0.166	S	C	.	.			trans	-75.2	155.4	176.3	62.1	45.9	0	0	0	111.4	P227 Y228 I229 L481	N225-P227 WeakPolarHBondContact OD1-CD 3.28Å; N225-Y228 PolarHBondContact O-N 3.49Å; N225-Y228 VanDerWaalsContact OD1-CB 3.27Å; N225-Y228 WeakPolarHBondContact OD1-CB 3.27Å; N225-Y228 PolarHBondContact OD1-N 2.92Å; N225-I229 PolarHBondContact O-N 3.41Å; N225-L481 PolarHBondContact ND2-O 2.86Å
226	E	87.4	Confident	90.9	Very high	97 Å²	97	32.1 Å²	32.1	45%	0.453	17%	0.167	S	C	.	.	H	α-helix	trans	-60.3	-38.3	-178.3	-156.6	-152.6	-160.9	0	0	113.8	Y228 I229 K230	E226-Y228 VanDerWaalsContact C-N 3.33Å; E226-Y228 PolarHBondContact O-N 2.92Å; E226-I229 PolarHBondContact O-N 2.94Å; E226-I229 VanDerWaalsContact O-N 3.16Å; E226-K230 HydrophobicContact CG-CD 4.26Å; E226-K230 WeakPolarHBondContact O-CB 3.09Å; E226-K230 WeakPolarHBondContact O-CG 3.42Å; E226-K230 PolarHBondContact O-N 3.49Å; E226-K230 WeakPolarHBondContact OE1-CE 3.31Å; E226-K230 IonicContact OE1-NZ 2.81Å; E226-K230 PolarHBondContact OE1-NZ 3.41Å; E226-K230 WeakPolarHBondContact OE2-CE 3.34Å; E226-K230 IonicContact OE2-NZ 2.62Å; E226-K230 PolarHBondContact OE2-NZ 2.93Å
227	P	89.5	Confident	90	Very high	73 Å²	73	32.2 Å²	32.2	47%	0.474	17%	0.17	S	C	.	.	H	α-helix	trans	-57.4	-39.7	173.8	-28.3	37.2	0	0	0	114.2	N225 K230 K231 L481	N225-P227 WeakPolarHBondContact OD1-CD 3.28Å; P227-K230 PolarHBondContact O-N 2.84Å; P227-K231 WeakPolarHBondContact O-CB 3.44Å; P227-K231 PolarHBondContact O-N 2.89Å; P227-L481 HydrophobicContact CB-CD1 4.33Å
228	Y	88.3	Confident	89.1	Confident	10 Å²	10	38 Å²	38	4%	0.039	20%	0.197	C	C	.	.	H	α-helix	trans	-63.8	-42.2	175.1	175	-100.1	0	0	0	111.8	V224 N225 E226 K231 M232 A478 L481 L482	V224-Y228 HydrophobicContact CB-CD1 3.73Å; V224-Y228 HydrophobicContact CB-CE1 4.34Å; V224-Y228 HydrophobicContact CG1-CD1 3.77Å; V224-Y228 HydrophobicContact CG1-CE1 3.93Å; V224-Y228 HydrophobicContact CG2-CD1 4.16Å; N225-Y228 PolarHBondContact O-N 3.49Å; N225-Y228 VanDerWaalsContact OD1-CB 3.27Å; N225-Y228 WeakPolarHBondContact OD1-CB 3.27Å; N225-Y228 PolarHBondContact OD1-N 2.92Å; E226-Y228 VanDerWaalsContact C-N 3.33Å; E226-Y228 PolarHBondContact O-N 2.92Å; Y228-K231 PolarHBondContact O-N 3.11Å; Y228-M232 HydrophobicContact CD1-CE 4.16Å; Y228-M232 HydrophobicContact CE1-CE 3.26Å; Y228-M232 WeakPolarHBondContact O-CB 3.39Å; Y228-M232 PolarHBondContact O-N 2.76Å; Y228-M232 WeakPolarHBondContact OH-CE 3.27Å; Y228-A478 WeakPolarHBondContact CD2-O 3.34Å; Y228-A478 HydrophobicContact CE2-CB 4Å; Y228-A478 WeakPolarHBondContact CE2-O 3.1Å; Y228-L481 HydrophobicContact CD2-CB 4.26Å; Y228-L482 HydrophobicContact CD1-CD2 3.81Å; Y228-L482 HydrophobicContact CD2-CD2 3.83Å; Y228-L482 HydrophobicContact CD2-CG 3.79Å; Y228-L482 HydrophobicContact CE1-CD2 3.68Å; Y228-L482 HydrophobicContact CE1-CG 4.42Å; Y228-L482 HydrophobicContact CE2-CD1 3.83Å; Y228-L482 HydrophobicContact CE2-CD2 3.73Å; Y228-L482 HydrophobicContact CE2-CG 3.55Å; Y228-L482 HydrophobicContact CG-CD2 3.87Å; Y228-L482 HydrophobicContact CG-CG 4.34Å
229	I	89.8	Confident	88	Confident	15 Å²	15	37.9 Å²	37.9	8%	0.077	19%	0.194	C	C	.	.	H	α-helix	trans	-66.1	-44.7	177.4	-51	164.3	0	0	0	110.6	L97 F106 V168 V224 N225 E226 K231 M232 A233	L97-I229 HydrophobicContact CD1-CG2 4.04Å; F106-I229 HydrophobicContact CB-CG2 3.6Å; F106-I229 HydrophobicContact CD1-CG2 4.15Å; F106-I229 HydrophobicContact CD2-CB 4.35Å; F106-I229 HydrophobicContact CD2-CG2 3.66Å; F106-I229 HydrophobicContact CE2-CG2 4.39Å; F106-I229 HydrophobicContact CG-CG2 3.52Å; V168-I229 HydrophobicContact CB-CD1 3.86Å; V168-I229 HydrophobicContact CB-CG1 4.42Å; V168-I229 HydrophobicContact CG1-CD1 3.98Å; V168-I229 HydrophobicContact CG1-CG1 3.98Å; V168-I229 HydrophobicContact CG1-CG2 4.26Å; V224-I229 HydrophobicContact CG2-CD1 3.99Å; V224-I229 HydrophobicContact CG2-CG1 3.69Å; N225-I229 PolarHBondContact O-N 3.41Å; E226-I229 PolarHBondContact O-N 2.94Å; E226-I229 VanDerWaalsContact O-N 3.16Å; I229-K231 PolarHBondContact O-N 1.98Å; I229-M232 PolarHBondContact O-N 3Å; I229-A233 PolarHBondContact O-N 2.7Å
230	K	89	Confident	86.8	Confident	60 Å²	60	42.1 Å²	42.1	26%	0.261	21%	0.213	S	C	.	.	H	α-helix	trans	-57.4	-47.3	175.9	-79.1	172.8	170	169	0	111	F106 E226 P227 A233 A234	F106-K230 HydrophobicContact CE2-CG 3.71Å; F106-K230 HydrophobicContact CZ-CG 4.36Å; E226-K230 HydrophobicContact CG-CD 4.26Å; E226-K230 WeakPolarHBondContact O-CB 3.09Å; E226-K230 WeakPolarHBondContact O-CG 3.42Å; E226-K230 PolarHBondContact O-N 3.49Å; E226-K230 WeakPolarHBondContact OE1-CE 3.31Å; E226-K230 IonicContact OE1-NZ 2.81Å; E226-K230 PolarHBondContact OE1-NZ 3.41Å; E226-K230 WeakPolarHBondContact OE2-CE 3.34Å; E226-K230 IonicContact OE2-NZ 2.62Å; E226-K230 PolarHBondContact OE2-NZ 2.93Å; P227-K230 PolarHBondContact O-N 2.84Å; K230-A233 PolarHBondContact O-N 2.88Å; K230-A234 WeakPolarHBondContact O-CB 3.28Å; K230-A234 PolarHBondContact O-N 2.87Å
231	K	87.5	Confident	85.5	Confident	54 Å²	54	47.8 Å²	47.8	24%	0.235	24%	0.238	C	C	.	.	H	α-helix	trans	-58.6	-49.1	174.1	-178.3	172.4	-177.7	171.4	0	112.3	P227 Y228 I229 A233 A234 E235 G476 S477 A478 L481	P227-K231 WeakPolarHBondContact O-CB 3.44Å; P227-K231 PolarHBondContact O-N 2.89Å; Y228-K231 PolarHBondContact O-N 3.11Å; I229-K231 PolarHBondContact O-N 1.98Å; K231-A233 PolarHBondContact O-N 2.69Å; K231-A234 PolarHBondContact O-N 2.88Å; K231-A234 VanDerWaalsContact O-N 3.16Å; K231-E235 WeakPolarHBondContact CE-OE1 3.41Å; K231-E235 HydrophobicContact CG-CG 4.4Å; K231-E235 WeakPolarHBondContact CG-OE1 3.39Å; K231-E235 WeakPolarHBondContact O-CB 3.48Å; K231-E235 WeakPolarHBondContact O-CG 3.17Å; K231-E235 PolarHBondContact O-N 2.74Å; K231-G476 PolarHBondContact NZ-O 2.84Å; K231-S477 VanDerWaalsContact NZ-C 3.34Å; K231-S477 PolarHBondContact NZ-O 2.68Å; K231-A478 HydrophobicContact CD-CB 4.49Å; K231-L481 HydrophobicContact CB-CD1 4.35Å; K231-L481 HydrophobicContact CD-CD1 3.82Å
232	M	85.9	Confident	84.3	Confident	18 Å²	18	50.2 Å²	50.2	9%	0.089	26%	0.258	C	S	.	.	H	α-helix	trans	-60.2	-33.2	179.1	-167.6	-159.5	-66.2	0	0	112.9	R85 L87 L97 Y228 I229 A236	R85-M232 VanDerWaalsContact NH1-CG 3.32Å; L87-M232 HydrophobicContact CD2-CE 4.36Å; L87-M232 HydrophobicContact CD2-SD 3.66Å; L97-M232 HydrophobicContact CD2-SD 4.21Å; Y228-M232 HydrophobicContact CD1-CE 4.16Å; Y228-M232 HydrophobicContact CE1-CE 3.26Å; Y228-M232 WeakPolarHBondContact O-CB 3.39Å; Y228-M232 PolarHBondContact O-N 2.76Å; Y228-M232 WeakPolarHBondContact OH-CE 3.27Å; I229-M232 PolarHBondContact O-N 3Å; M232-A236 PolarHBondContact O-N 2.75Å
233	A	87.1	Confident	82.9	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-76.7	-39.3	175.2	0	0	0	0	0	112.7	I84 L97 F106 I229 K230 K231 A236 T237	I84-A233 HydrophobicContact CD1-CB 4.38Å; I84-A233 HydrophobicContact CG2-CB 4.1Å; L97-A233 HydrophobicContact CD2-CB 4.28Å; F106-A233 HydrophobicContact CD1-CB 4.32Å; F106-A233 HydrophobicContact CE1-CB 3.46Å; F106-A233 VanDerWaalsContact CE1-CB 3.46Å; F106-A233 HydrophobicContact CZ-CB 3.79Å; I229-A233 PolarHBondContact O-N 2.7Å; K230-A233 PolarHBondContact O-N 2.88Å; K231-A233 PolarHBondContact O-N 2.69Å; A233-A236 PolarHBondContact O-N 3.06Å; A233-T237 WeakPolarHBondContact O-CB 3.5Å; A233-T237 PolarHBondContact O-N 3.47Å; A233-T237 PolarHBondContact O-OG1 2.68Å
234	A	85	Confident	81.4	Confident	18 Å²	18	52.7 Å²	52.7	15%	0.149	29%	0.292	C	S	.	.	H	α-helix	trans	-63.2	-47.1	175.1	0	0	0	0	0	111.4	K230 K231 A236 T237 Q238	K230-A234 WeakPolarHBondContact O-CB 3.28Å; K230-A234 PolarHBondContact O-N 2.87Å; K231-A234 PolarHBondContact O-N 2.88Å; K231-A234 VanDerWaalsContact O-N 3.16Å; A234-A236 PolarHBondContact O-N 2.62Å; A234-T237 WeakPolarHBondContact O-CB 3.35Å; A234-T237 PolarHBondContact O-N 2.76Å; A234-T237 VanDerWaalsContact O-N 3.16Å; A234-Q238 WeakPolarHBondContact O-CG 3.1Å; A234-Q238 PolarHBondContact O-N 3.03Å
235	E	83.6	Confident	79.9	Confident	43 Å²	43	56.9 Å²	56.9	20%	0.201	32%	0.319	C	S	.	.	H	α-helix	trans	-53.7	-50.7	173.8	-75	171.9	-176	0	0	111.7	K231 T237 Q238 W239	K231-E235 WeakPolarHBondContact CE-OE1 3.41Å; K231-E235 HydrophobicContact CG-CG 4.4Å; K231-E235 WeakPolarHBondContact CG-OE1 3.39Å; K231-E235 WeakPolarHBondContact O-CB 3.48Å; K231-E235 WeakPolarHBondContact O-CG 3.17Å; K231-E235 PolarHBondContact O-N 2.74Å; E235-T237 VanDerWaalsContact C-N 3.32Å; E235-T237 PolarHBondContact O-N 2.96Å; E235-Q238 WeakPolarHBondContact O-CB 3.39Å; E235-Q238 PolarHBondContact O-N 2.82Å; E235-Q238 VanDerWaalsContact O-N 3.16Å; E235-W239 HydrophobicContact CB-CH2 3.87Å; E235-W239 HydrophobicContact CB-CZ2 3.67Å; E235-W239 HydrophobicContact CG-CZ2 4.45Å; E235-W239 VanDerWaalsContact O-CD2 3.26Å; E235-W239 PolarHBondContact O-N 3.16Å
236	A	80.8	Confident	78.6	Confident	4 Å²	4	55.3 Å²	55.3	3%	0.033	31%	0.313	C	S	.	.	H	α-helix	trans	-59.4	-41.7	176.8	0	0	0	0	0	112.8	I84 R85 M232 A233 A234 Q238 W239 Q240	I84-A236 HydrophobicContact CG2-CB 3.92Å; R85-A236 HydrophobicContact CB-CB 4.1Å; R85-A236 HydrophobicContact CG-CB 4.42Å; M232-A236 PolarHBondContact O-N 2.75Å; A233-A236 PolarHBondContact O-N 3.06Å; A234-A236 PolarHBondContact O-N 2.62Å; A236-Q238 VanDerWaalsContact C-N 3.32Å; A236-Q238 PolarHBondContact O-N 2.71Å; A236-W239 HydrophobicContact CB-CE3 4.38Å; A236-W239 HydrophobicContact CB-CZ3 4.35Å; A236-W239 PolarHBondContact O-N 3.24Å; A236-Q240 PolarHBondContact O-N 3.45Å
237	T	79.3	Confident	77.1	Confident	27 Å²	27	55.7 Å²	55.7	17%	0.166	32%	0.324	C	S	.	.	H	α-helix	trans	-65.4	-35.3	177.7	-54.9	0	0	0	0	111.8	A233 A234 E235 K241	A233-T237 WeakPolarHBondContact O-CB 3.5Å; A233-T237 PolarHBondContact O-N 3.47Å; A233-T237 PolarHBondContact O-OG1 2.68Å; A234-T237 WeakPolarHBondContact O-CB 3.35Å; A234-T237 PolarHBondContact O-N 2.76Å; A234-T237 VanDerWaalsContact O-N 3.16Å; E235-T237 VanDerWaalsContact C-N 3.32Å; E235-T237 PolarHBondContact O-N 2.96Å; T237-K241 WeakPolarHBondContact O-CG 3.22Å; T237-K241 PolarHBondContact O-N 2.93Å
238	Q	78.3	Confident	75.8	Confident	122 Å²	122	53.4 Å²	53.4	57%	0.57	31%	0.309	S	S	*	.	H	α-helix	trans	-66.6	-43.2	176.2	-71	175.4	14.9	0	0	112.2	A234 E235 A236 Q240 K241 S242	A234-Q238 WeakPolarHBondContact O-CG 3.1Å; A234-Q238 PolarHBondContact O-N 3.03Å; E235-Q238 WeakPolarHBondContact O-CB 3.39Å; E235-Q238 PolarHBondContact O-N 2.82Å; E235-Q238 VanDerWaalsContact O-N 3.16Å; A236-Q238 VanDerWaalsContact C-N 3.32Å; A236-Q238 PolarHBondContact O-N 2.71Å; Q238-Q240 VanDerWaalsContact C-N 3.32Å; Q238-Q240 PolarHBondContact O-N 3.37Å; Q238-K241 WeakPolarHBondContact O-CB 3.2Å; Q238-K241 PolarHBondContact O-N 3.16Å; Q238-K241 VanDerWaalsContact O-N 3.08Å; Q238-S242 PolarHBondContact O-N 2.77Å; Q238-S242 PolarHBondContact O-OG 3.33Å
239	W	72.4	Confident	74.3	Confident	55 Å²	55	54.2 Å²	54.2	21%	0.208	32%	0.321	C	S	.	.	H	α-helix	trans	-62.2	-38.7	177.2	-51.9	-34.9	0	0	0	112.1	E235 A236 K241 S242 G243 A244 P246 P247	E235-W239 HydrophobicContact CB-CH2 3.87Å; E235-W239 HydrophobicContact CB-CZ2 3.67Å; E235-W239 HydrophobicContact CG-CZ2 4.45Å; E235-W239 VanDerWaalsContact O-CD2 3.26Å; E235-W239 PolarHBondContact O-N 3.16Å; A236-W239 HydrophobicContact CB-CE3 4.38Å; A236-W239 HydrophobicContact CB-CZ3 4.35Å; A236-W239 PolarHBondContact O-N 3.24Å; W239-K241 VanDerWaalsContact C-N 3.28Å; W239-K241 PolarHBondContact O-N 3.45Å; W239-S242 PolarHBondContact O-OG 3.22Å; W239-G243 PolarHBondContact O-N 2.88Å; W239-A244 PolarHBondContact O-N 3.12Å; W239-P246 HydrophobicContact CD2-CB 4.44Å; W239-P246 HydrophobicContact CE3-CB 3.78Å; W239-P246 HydrophobicContact CZ3-CB 4.18Å; W239-P247 VanDerWaalsContact CH2-CD 3.45Å; W239-P247 HydrophobicContact CH2-CG 3.62Å; W239-P247 HydrophobicContact CZ2-CG 3.44Å; W239-P247 VanDerWaalsContact CZ2-CG 3.44Å; W239-P247 HydrophobicContact CZ3-CG 4.29Å
240	Q	72.2	Confident	72.9	Confident	103 Å²	103	54.4 Å²	54.4	48%	0.481	32%	0.323	S	S	.	.	H	α-helix	trans	-61.9	-32.8	173.5	-68.1	-162.8	-68	0	0	113.7	I73 A236 Q238	I73-Q240 HydrophobicContact CG2-CG 4.48Å; A236-Q240 PolarHBondContact O-N 3.45Å; Q238-Q240 VanDerWaalsContact C-N 3.32Å; Q238-Q240 PolarHBondContact O-N 3.37Å
241	K	71.9	Confident	71.7	Confident	120 Å²	120	51.7 Å²	51.7	52%	0.522	31%	0.312	S	S	.	.	H	α-helix	trans	-78.7	-43.9	179.8	-73.4	172.4	170.9	-176	0	112.7	T237 Q238 W239 G243 E284	T237-K241 WeakPolarHBondContact O-CG 3.22Å; T237-K241 PolarHBondContact O-N 2.93Å; Q238-K241 WeakPolarHBondContact O-CB 3.2Å; Q238-K241 PolarHBondContact O-N 3.16Å; Q238-K241 VanDerWaalsContact O-N 3.08Å; W239-K241 VanDerWaalsContact C-N 3.28Å; W239-K241 PolarHBondContact O-N 3.45Å; K241-G243 VanDerWaalsContact C-N 3.26Å; K241-G243 PolarHBondContact O-N 2.91Å; K241-E284 WeakPolarHBondContact CE-OE2 3.4Å; K241-E284 IonicContact NZ-OE1 3.76Å; K241-E284 PolarHBondContact NZ-OE1 3.29Å; K241-E284 IonicContact NZ-OE2 2.75Å; K241-E284 PolarHBondContact NZ-OE2 3.05Å
242	S	73.3	Confident	70.9	Confident	86 Å²	86	51.6 Å²	51.6	60%	0.601	32%	0.316	S	S	*	.	H	α-helix	trans	-72.6	-21.9	178.2	62.2	0	0	0	0	112.7	Q238 W239 A244	Q238-S242 PolarHBondContact O-N 2.77Å; Q238-S242 PolarHBondContact O-OG 3.33Å; W239-S242 PolarHBondContact O-OG 3.22Å; S242-A244 PolarHBondContact O-N 2.73Å; S242-A244 WeakPolarHBondContact OG-CB 3.41Å; S242-A244 PolarHBondContact OG-N 2.68Å
243	G	66.5	Low	70.3	Confident	68 Å²	68	52 Å²	52	70%	0.701	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	10.7	-171.7	0	0	0	0	0	113	W239 K241	W239-G243 PolarHBondContact O-N 2.88Å; K241-G243 VanDerWaalsContact C-N 3.26Å; K241-G243 PolarHBondContact O-N 2.91Å
244	A	62.2	Low	69.7	Low	47 Å²	47	53.5 Å²	53.5	39%	0.388	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-68.1	149.3	172.8	0	0	0	0	0	110.5	W239 S242	W239-A244 PolarHBondContact O-N 3.12Å; S242-A244 PolarHBondContact O-N 2.73Å; S242-A244 WeakPolarHBondContact OG-CB 3.41Å; S242-A244 PolarHBondContact OG-N 2.68Å
245	P	59.4	Low	68.9	Low	109 Å²	109	53.2 Å²	53.2	71%	0.708	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-61.2	149.7	164.8	29.4	-34.6	0	0	0	109.9
246	P	61.9	Low	68.4	Low	32 Å²	32	54.4 Å²	54.4	21%	0.208	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-61.6	152.5	168.7	29.4	-35.6	0	0	0	110.4	W239 S248 A251 V252	W239-P246 HydrophobicContact CD2-CB 4.44Å; W239-P246 HydrophobicContact CE3-CB 3.78Å; W239-P246 HydrophobicContact CZ3-CB 4.18Å; P246-S248 WeakPolarHBondContact CG-O 3.48Å; P246-S248 PolarHBondContact O-N 2.98Å; P246-S248 VanDerWaalsContact O-N 3.14Å; P246-A251 HydrophobicContact CB-CB 3.89Å; P246-A251 HydrophobicContact CG-CB 4.22Å; P246-V252 HydrophobicContact CG-CG1 4.25Å; P246-V252 HydrophobicContact CG-CG2 4.35Å
247	P	56.1	Low	67.6	Low	106 Å²	106	58.5 Å²	58.5	69%	0.688	37%	0.373	S	S	*	.	S	Bend	trans	-68.4	-11.2	-176.4	29	-37	0	0	0	114.2	W239	W239-P247 VanDerWaalsContact CH2-CD 3.45Å; W239-P247 HydrophobicContact CH2-CG 3.62Å; W239-P247 HydrophobicContact CZ2-CG 3.44Å; W239-P247 VanDerWaalsContact CZ2-CG 3.44Å; W239-P247 HydrophobicContact CZ3-CG 4.29Å
248	S	60.3	Low	66.5	Low	24 Å²	24	60.8 Å²	60.8	17%	0.168	39%	0.388	C	S	.	.	S	Bend	trans	-134.9	138.6	166	147.2	0	0	0	0	108.1	D54 P246 S250 A251	D54-S248 PolarHBondContact O-OG 3.01Å; P246-S248 WeakPolarHBondContact CG-O 3.48Å; P246-S248 PolarHBondContact O-N 2.98Å; P246-S248 VanDerWaalsContact O-N 3.14Å; S248-S250 PolarHBondContact O-N 3.17Å; S248-S250 PolarHBondContact OG-N 3.41Å; S248-S250 PolarHBondContact OG-OG 3.11Å; S248-A251 PolarHBondContact O-N 3.42Å
249	G	57.8	Low	65	Low	27 Å²	27	64.5 Å²	64.5	28%	0.278	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-62.4	-31.3	-179.7	0	0	0	0	0	113.4	Q57 A251 V252	Q57-G249 PolarHBondContact OE1-O 2.83Å; G249-A251 PolarHBondContact O-N 3.44Å; G249-V252 VanDerWaalsContact O-CG2 3.24Å; G249-V252 WeakPolarHBondContact O-CG2 3.35Å; G249-V252 PolarHBondContact O-N 3.42Å
250	S	60.4	Low	63.5	Low	19 Å²	19	68.7 Å²	68.7	13%	0.133	43%	0.434	C	S	.	.	G	3₁₀ helix	trans	-59	-20.7	-178.5	71.3	0	0	0	0	114.6	D54 K86 S248 V252	D54-S250 WeakPolarHBondContact O-CB 3.37Å; D54-S250 PolarHBondContact O-OG 2.71Å; K86-S250 WeakPolarHBondContact CB-O 3.38Å; K86-S250 VanDerWaalsContact CD-O 3.3Å; K86-S250 WeakPolarHBondContact CD-O 3.28Å; K86-S250 WeakPolarHBondContact CE-O 3.39Å; K86-S250 PolarHBondContact NZ-O 2.85Å; S248-S250 PolarHBondContact O-N 3.17Å; S248-S250 PolarHBondContact OG-N 3.41Å; S248-S250 PolarHBondContact OG-OG 3.11Å; S250-V252 PolarHBondContact O-N 3.43Å
251	A	63.2	Low	62	Low	3 Å²	3	70.3 Å²	70.3	3%	0.025	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	-69	-8.5	-179.7	0	0	0	0	0	114.5	K86 P246 S248 G249	K86-A251 VanDerWaalsContact CB-O 3.32Å; K86-A251 WeakPolarHBondContact CB-O 3.36Å; K86-A251 PolarHBondContact N-O 2.76Å; P246-A251 HydrophobicContact CB-CB 3.89Å; P246-A251 HydrophobicContact CG-CB 4.22Å; S248-A251 PolarHBondContact O-N 3.42Å; G249-A251 PolarHBondContact O-N 3.44Å
252	V	71.8	Confident	60.8	Low	53 Å²	53	69 Å²	69	32%	0.321	46%	0.455	S	S	.	.	S	Bend	trans	-125	165.8	175	-71.2	0	0	0	0	111.7	I73 K86 P246 G249 S250	I73-V252 HydrophobicContact CD1-CG1 3.9Å; K86-V252 WeakPolarHBondContact CD-O 3.2Å; K86-V252 PolarHBondContact NZ-O 2.99Å; P246-V252 HydrophobicContact CG-CG1 4.25Å; P246-V252 HydrophobicContact CG-CG2 4.35Å; G249-V252 VanDerWaalsContact O-CG2 3.24Å; G249-V252 WeakPolarHBondContact O-CG2 3.35Å; G249-V252 PolarHBondContact O-N 3.42Å; S250-V252 PolarHBondContact O-N 3.43Å
253	S	73.1	Confident	59.6	Low	25 Å²	25	75.1 Å²	75.1	18%	0.175	47%	0.471	C	S	.	.			trans	-81.5	141.5	176.2	172.5	0	0	0	0	111.2	E58 Y63 A255	E58-S253 WeakPolarHBondContact OE1-CA 3.3Å; Y63-S253 PolarHBondContact OH-OG 3.13Å; S253-A255 PolarHBondContact O-N 3.4Å; S253-A255 VanDerWaalsContact OG-CB 3.25Å; S253-A255 WeakPolarHBondContact OG-CB 3.29Å; S253-A255 PolarHBondContact OG-N 3.07Å; S253-A255 VanDerWaalsContact OG-N 3.14Å
254	T	73.8	Confident	59.1	Low	33 Å²	33	76.4 Å²	76.4	20%	0.202	46%	0.459	C	S	.	.			trans	-77	-1.9	173.1	65.2	0	0	0	0	114	Q57 E58 Y63	Q57-T254 HydrophobicContact CB-CG2 3.42Å; Q57-T254 VanDerWaalsContact CB-CG2 3.42Å; Q57-T254 HydrophobicContact CG-CG2 4.21Å; Q57-T254 VanDerWaalsContact OE1-CG2 3.22Å; E58-T254 WeakPolarHBondContact CG-OG1 3.29Å; E58-T254 WeakPolarHBondContact O-CG2 3.42Å; E58-T254 PolarHBondContact O-OG1 2.89Å; E58-T254 PolarHBondContact OE1-N 3.21Å; E58-T254 PolarHBondContact OE1-OG1 2.93Å; Y63-T254 WeakPolarHBondContact CE2-OG1 3.35Å
255	A	69.2	Low	59.5	Low	12 Å²	12	78 Å²	78	10%	0.099	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-47.3	121.8	-172.4	0	0	0	0	0	112.8	Y63 H70 S253 A257	Y63-A255 HydrophobicContact CD1-CB 3.71Å; Y63-A255 HydrophobicContact CD2-CB 4.1Å; Y63-A255 HydrophobicContact CE1-CB 3.63Å; Y63-A255 HydrophobicContact CE2-CB 4Å; Y63-A255 HydrophobicContact CG-CB 3.94Å; H70-A255 HydrophobicContact CB-CB 3.91Å; H70-A255 VanDerWaalsContact ND1-CB 3.26Å; H70-A255 WeakPolarHBondContact ND1-CB 3.11Å; S253-A255 PolarHBondContact O-N 3.4Å; S253-A255 VanDerWaalsContact OG-CB 3.25Å; S253-A255 WeakPolarHBondContact OG-CB 3.29Å; S253-A255 PolarHBondContact OG-N 3.07Å; S253-A255 VanDerWaalsContact OG-N 3.14Å; A255-A257 PolarHBondContact O-N 3.36Å
256	P	71.8	Confident	59.8	Low	68 Å²	68	81.6 Å²	81.6	44%	0.442	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-53.7	129.7	-179.1	-29	35.1	0	0	0	112.3	P60 P258	P60-P256 HydrophobicContact CB-CG 3.96Å; P60-P256 WeakPolarHBondContact O-CD 3.42Å; P60-P256 WeakPolarHBondContact O-CG 3.43Å; P256-P258 VanDerWaalsContact O-N 3.13Å
257	A	65.4	Low	60.2	Low	90 Å²	90	86 Å²	86	74%	0.744	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-50.5	121.6	179.1	0	0	0	0	0	110.1	A255 K259	A255-A257 PolarHBondContact O-N 3.36Å; A257-K259 PolarHBondContact O-N 3.08Å; A257-K259 VanDerWaalsContact O-N 3.09Å
258	P	55.2	Low	60.5	Low	75 Å²	75	87.4 Å²	87.4	49%	0.487	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-63.8	118	-162.1	20.1	-32.5	0	0	0	111.6	P256 T260	P256-P258 VanDerWaalsContact O-N 3.13Å; P258-T260 PolarHBondContact O-N 2.75Å
259	K	48.2	Very low	60.5	Low	199 Å²	199	93.2 Å²	93.2	87%	0.865	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-49.2	128.1	172.6	-67.3	177.4	-178	172.2	0	108.5	A257 M261	A257-K259 PolarHBondContact O-N 3.08Å; A257-K259 VanDerWaalsContact O-N 3.09Å; K259-M261 PolarHBondContact O-N 3.09Å
260	T	40.4	Very low	60.9	Low	144 Å²	144	99.6 Å²	99.6	88%	0.883	53%	0.532	S	S	*	.			trans	-64.2	93.6	-155.5	53.5	0	0	0	0	114	P258	P258-T260 PolarHBondContact O-N 2.75Å
261	M	39.9	Very low	61.5	Low	137 Å²	137	107 Å²	107	68%	0.675	56%	0.561	S	S	*	*			trans	-68.8	152.1	161.9	-69.7	-160.8	-69.9	0	0	110.7	M157 K259	M157-M261 HydrophobicContact CE-CE 3.6Å; M157-M261 HydrophobicContact CG-CE 4.16Å; M157-M261 HydrophobicContact SD-CE 3.47Å; M157-M261 WeakPolarHBondContact SD-CE 3.28Å; K259-M261 PolarHBondContact O-N 3.09Å
262	A	47.3	Very low	61	Low	92 Å²	92	111 Å²	111	76%	0.76	58%	0.58	S	S	*	*			trans	-14.7	124.8	-170.8	0	0	0	0	0	117.5	M264	A262-M264 PolarHBondContact O-N 3.22Å
263	K	47.8	Very low	60.6	Low	215 Å²	215	115.9 Å²	115.9	94%	0.935	60%	0.597	S	S	*	*			trans	-54.8	94.3	173.1	-74.9	176.9	177.8	170.5	0	111.1	S265	K263-S265 PolarHBondContact O-N 2.9Å
264	M	56.3	Low	60.5	Low	94 Å²	94	122.5 Å²	122.5	46%	0.463	62%	0.623	S	S	.	*			trans	-55.1	137.5	169.8	-83.4	-163.6	-80.5	0	0	110.4	A262 K266 K268 M272	A262-M264 PolarHBondContact O-N 3.22Å; M264-K266 PolarHBondContact O-N 3.36Å; M264-K268 HydrophobicContact SD-CD 3.97Å; M264-K268 HydrophobicContact SD-CG 4.06Å; M264-M272 HydrophobicContact CE-CE 4.02Å; M264-M272 HydrophobicContact CE-SD 4.42Å; M264-M272 HydrophobicContact SD-CE 4.06Å
265	S	69.6	Low	60.4	Low	80 Å²	80	127.5 Å²	127.5	56%	0.559	64%	0.642	S	S	*	*			trans	-48.7	139.1	172.5	171	0	0	0	0	111.1	K263 N267 K268 K269	K263-S265 PolarHBondContact O-N 2.9Å; S265-N267 PolarHBondContact O-N 3.38Å; S265-N267 PolarHBondContact OG-N 2.81Å; S265-K268 PolarHBondContact O-N 3.14Å; S265-K269 PolarHBondContact O-N 3.39Å; S265-K269 VanDerWaalsContact O-N 3.07Å
266	K	66.7	Low	59.7	Low	185 Å²	185	131 Å²	131	80%	0.804	66%	0.656	S	S	*	*	H	α-helix	trans	-49.6	-37.4	179.2	-67.4	-179.3	179.8	177.3	0	111.3	M264 K269 K270	M264-K266 PolarHBondContact O-N 3.36Å; K266-K269 PolarHBondContact O-N 3.34Å; K266-K270 VanDerWaalsContact O-CB 3.3Å; K266-K270 WeakPolarHBondContact O-CB 3.24Å; K266-K270 PolarHBondContact O-N 3.16Å
267	N	69.6	Low	59.6	Low	124 Å²	124	134 Å²	134	66%	0.663	66%	0.663	S	S	*	*	H	α-helix	trans	-70.5	-39.9	179.3	-69.4	6.7	0	0	0	112.8	S265 K270 K271	S265-N267 PolarHBondContact O-N 3.38Å; S265-N267 PolarHBondContact OG-N 2.81Å; N267-K270 PolarHBondContact O-N 3.05Å; N267-K271 WeakPolarHBondContact O-CB 3.35Å; N267-K271 PolarHBondContact O-N 2.77Å
268	K	62.3	Low	59.9	Low	137 Å²	137	136.9 Å²	136.9	60%	0.596	66%	0.658	S	S	*	*	H	α-helix	trans	-65.5	-41.6	175.4	-168.1	169.3	-177.7	173.9	0	110.8	M264 S265 M272	M264-K268 HydrophobicContact SD-CD 3.97Å; M264-K268 HydrophobicContact SD-CG 4.06Å; S265-K268 PolarHBondContact O-N 3.14Å; K268-M272 VanDerWaalsContact O-CB 3.29Å; K268-M272 WeakPolarHBondContact O-CB 3.46Å; K268-M272 PolarHBondContact O-N 3.11Å
269	K	59.8	Low	60	Low	146 Å²	146	135.9 Å²	135.9	64%	0.635	65%	0.647	S	S	*	*	H	α-helix	trans	-65.6	-38.7	174.2	-162.1	172.3	-174.8	176.5	0	112.3	S265 K266 K273	S265-K269 PolarHBondContact O-N 3.39Å; S265-K269 VanDerWaalsContact O-N 3.07Å; K266-K269 PolarHBondContact O-N 3.34Å; K269-K273 WeakPolarHBondContact O-CB 3.32Å; K269-K273 PolarHBondContact O-N 3.21Å
270	K	68.1	Low	60.4	Low	160 Å²	160	128.6 Å²	128.6	70%	0.696	62%	0.624	S	S	*	*	H	α-helix	trans	-67.9	-44	175.6	-168.4	178.2	-179	-175.7	0	112.3	K266 N267 K273 K274	K266-K270 VanDerWaalsContact O-CB 3.3Å; K266-K270 WeakPolarHBondContact O-CB 3.24Å; K266-K270 PolarHBondContact O-N 3.16Å; N267-K270 PolarHBondContact O-N 3.05Å; K270-K273 PolarHBondContact O-N 3.03Å; K270-K274 WeakPolarHBondContact O-CB 3.15Å; K270-K274 PolarHBondContact O-N 3.24Å
271	K	71.1	Confident	61.9	Low	174 Å²	174	125.9 Å²	125.9	76%	0.757	60%	0.601	S	S	*	*	H	α-helix	trans	-64.8	-42.2	176.6	-169.9	167.5	-177.4	171	0	111.4	N267 K274 K275	N267-K271 WeakPolarHBondContact O-CB 3.35Å; N267-K271 PolarHBondContact O-N 2.77Å; K271-K274 PolarHBondContact O-N 2.9Å; K271-K275 PolarHBondContact O-N 3.08Å
272	M	54.8	Low	63.4	Low	87 Å²	87	123.5 Å²	123.5	43%	0.429	59%	0.591	S	S	.	*	H	α-helix	trans	-62.6	-48.5	174.4	-170.9	-175.9	-68.7	0	0	111.9	M264 K268 K274 K275 Q276	M264-M272 HydrophobicContact CE-CE 4.02Å; M264-M272 HydrophobicContact CE-SD 4.42Å; M264-M272 HydrophobicContact SD-CE 4.06Å; K268-M272 VanDerWaalsContact O-CB 3.29Å; K268-M272 WeakPolarHBondContact O-CB 3.46Å; K268-M272 PolarHBondContact O-N 3.11Å; M272-K274 VanDerWaalsContact C-N 3.34Å; M272-K274 PolarHBondContact O-N 3.26Å; M272-K275 PolarHBondContact O-N 3.07Å; M272-Q276 PolarHBondContact O-N 2.84Å
273	K	63.1	Low	63.9	Low	156 Å²	156	120.1 Å²	120.1	68%	0.678	56%	0.56	S	S	*	*	H	α-helix	trans	-65.7	-33	176.8	-164.1	174.5	-176.2	-178.5	0	112.6	K269 K270 K277	K269-K273 WeakPolarHBondContact O-CB 3.32Å; K269-K273 PolarHBondContact O-N 3.21Å; K270-K273 PolarHBondContact O-N 3.03Å; K273-K277 WeakPolarHBondContact O-CB 3.03Å; K273-K277 PolarHBondContact O-N 3.09Å
274	K	70.3	Confident	64.8	Low	165 Å²	165	112.5 Å²	112.5	72%	0.717	53%	0.527	S	S	*	.	H	α-helix	trans	-66	-40.3	171.7	-168.8	-178.5	-179.8	-173.5	0	111.4	K270 K271 M272 K277 K278	K270-K274 WeakPolarHBondContact O-CB 3.15Å; K270-K274 PolarHBondContact O-N 3.24Å; K271-K274 PolarHBondContact O-N 2.9Å; M272-K274 VanDerWaalsContact C-N 3.34Å; M272-K274 PolarHBondContact O-N 3.26Å; K274-K277 PolarHBondContact O-N 3.01Å; K274-K278 PolarHBondContact O-N 2.97Å
275	K	70.7	Confident	65.5	Low	138 Å²	138	113.8 Å²	113.8	60%	0.6	53%	0.531	S	S	*	.	H	α-helix	trans	-64.8	-48	175.2	-171	177.6	178.4	177.4	0	111.5	K271 M272 K277 K278 Q279	K271-K275 PolarHBondContact O-N 3.08Å; M272-K275 PolarHBondContact O-N 3.07Å; K275-K277 VanDerWaalsContact C-N 3.35Å; K275-K277 PolarHBondContact O-N 3.27Å; K275-K278 PolarHBondContact O-N 2.77Å; K275-Q279 HydrophobicContact CG-CG 4.48Å; K275-Q279 WeakPolarHBondContact O-CB 3.45Å; K275-Q279 WeakPolarHBondContact O-CG 3.34Å; K275-Q279 PolarHBondContact O-N 2.79Å
276	Q	56.2	Low	65.4	Low	84 Å²	84	113.7 Å²	113.7	39%	0.393	52%	0.518	S	S	.	.	H	α-helix	trans	-59.7	-42.5	175.1	-76.5	179.2	-47	0	0	112	M272 Q279 A280	M272-Q276 PolarHBondContact O-N 2.84Å; Q276-Q279 PolarHBondContact O-N 3.29Å; Q276-A280 WeakPolarHBondContact O-CB 3.42Å; Q276-A280 PolarHBondContact O-N 3.02Å
277	K	69.5	Low	65.3	Low	132 Å²	132	105.9 Å²	105.9	57%	0.574	48%	0.484	S	S	*	.	H	α-helix	trans	-61.7	-50.2	175.7	-158.2	-174.4	-169.5	-67.7	0	111.4	K273 K274 K275 Q279 A280 E281	K273-K277 WeakPolarHBondContact O-CB 3.03Å; K273-K277 PolarHBondContact O-N 3.09Å; K274-K277 PolarHBondContact O-N 3.01Å; K275-K277 VanDerWaalsContact C-N 3.35Å; K275-K277 PolarHBondContact O-N 3.27Å; K277-Q279 VanDerWaalsContact C-N 3.25Å; K277-Q279 PolarHBondContact O-N 3.38Å; K277-A280 PolarHBondContact O-N 2.91Å; K277-E281 VanDerWaalsContact C-OE2 3.26Å; K277-E281 HydrophobicContact CG-CG 4.37Å; K277-E281 IonicContact NZ-OE1 2.53Å; K277-E281 PolarHBondContact NZ-OE1 3.17Å; K277-E281 WeakPolarHBondContact O-CB 3.42Å; K277-E281 VanDerWaalsContact O-CG 3.22Å; K277-E281 WeakPolarHBondContact O-CG 3.46Å; K277-E281 PolarHBondContact O-N 2.9Å
278	K	70.6	Confident	64.9	Low	150 Å²	150	104.4 Å²	104.4	65%	0.652	47%	0.474	S	S	*	.	H	α-helix	trans	-60.7	-32.9	176.9	-171.5	171.9	-179	179.1	0	112.3	K274 K275 E281 L282	K274-K278 PolarHBondContact O-N 2.97Å; K275-K278 PolarHBondContact O-N 2.77Å; K278-E281 VanDerWaalsContact CA-OE2 3.31Å; K278-E281 WeakPolarHBondContact CA-OE2 3.31Å; K278-E281 PolarHBondContact N-OE2 2.76Å; K278-L282 VanDerWaalsContact O-CB 3.28Å; K278-L282 WeakPolarHBondContact O-CB 3.49Å; K278-L282 PolarHBondContact O-N 3.07Å
279	Q	58.3	Low	65.1	Low	55 Å²	55	102.6 Å²	102.6	26%	0.257	47%	0.467	S	S	.	.	H	α-helix	trans	-75	-38.4	176.4	-72	-176.8	-66.7	0	0	113	L76 K275 Q276 K277 L282 L283	L76-Q279 VanDerWaalsContact CD2-NE2 3.26Å; K275-Q279 HydrophobicContact CG-CG 4.48Å; K275-Q279 WeakPolarHBondContact O-CB 3.45Å; K275-Q279 WeakPolarHBondContact O-CG 3.34Å; K275-Q279 PolarHBondContact O-N 2.79Å; Q276-Q279 PolarHBondContact O-N 3.29Å; K277-Q279 VanDerWaalsContact C-N 3.25Å; K277-Q279 PolarHBondContact O-N 3.38Å; Q279-L282 PolarHBondContact O-N 3.27Å; Q279-L283 WeakPolarHBondContact O-CB 3.46Å; Q279-L283 PolarHBondContact O-N 2.88Å
280	A	56.9	Low	64.8	Low	45 Å²	45	98.8 Å²	98.8	37%	0.372	45%	0.453	S	S	.	.	H	α-helix	trans	-67.4	-40.6	172.5	0	0	0	0	0	111.7	Q276 K277 L283 E284	Q276-A280 WeakPolarHBondContact O-CB 3.42Å; Q276-A280 PolarHBondContact O-N 3.02Å; K277-A280 PolarHBondContact O-N 2.91Å; A280-L283 PolarHBondContact O-N 3.08Å; A280-E284 WeakPolarHBondContact O-CB 3.43Å; A280-E284 PolarHBondContact O-N 3.05Å
281	E	71.6	Confident	64.2	Low	87 Å²	87	97.4 Å²	97.4	41%	0.407	45%	0.449	S	S	.	.	H	α-helix	trans	-62.8	-39.4	173.4	-71.2	163.9	150.7	0	0	111.8	K277 K278 K285	K277-E281 VanDerWaalsContact C-OE2 3.26Å; K277-E281 HydrophobicContact CG-CG 4.37Å; K277-E281 IonicContact NZ-OE1 2.53Å; K277-E281 PolarHBondContact NZ-OE1 3.17Å; K277-E281 WeakPolarHBondContact O-CB 3.42Å; K277-E281 VanDerWaalsContact O-CG 3.22Å; K277-E281 WeakPolarHBondContact O-CG 3.46Å; K277-E281 PolarHBondContact O-N 2.9Å; K278-E281 VanDerWaalsContact CA-OE2 3.31Å; K278-E281 WeakPolarHBondContact CA-OE2 3.31Å; K278-E281 PolarHBondContact N-OE2 2.76Å; E281-K285 WeakPolarHBondContact O-CB 3.34Å; E281-K285 PolarHBondContact O-N 2.93Å
282	L	70.3	Confident	62.8	Low	88 Å²	88	91.5 Å²	91.5	46%	0.461	44%	0.437	S	S	.	.	H	α-helix	trans	-69.3	-36.9	175.5	-164.8	85.3	0	0	0	112.3	K278 Q279 R286	K278-L282 VanDerWaalsContact O-CB 3.28Å; K278-L282 WeakPolarHBondContact O-CB 3.49Å; K278-L282 PolarHBondContact O-N 3.07Å; Q279-L282 PolarHBondContact O-N 3.27Å; L282-R286 WeakPolarHBondContact O-CG 2.99Å; L282-R286 PolarHBondContact O-N 3.1Å; L282-R286 VanDerWaalsContact O-N 3.15Å
283	L	59.1	Low	62.3	Low	20 Å²	20	91.2 Å²	91.2	11%	0.105	46%	0.456	C	S	.	.	H	α-helix	trans	-68.7	-44.5	174.3	-180	61.7	0	0	0	111	H82 W99 Q279 A280 R286 I287	H82-L283 WeakPolarHBondContact CD2-CD2 3.46Å; W99-L283 HydrophobicContact CB-CD1 4.03Å; W99-L283 HydrophobicContact CD2-CD1 4.17Å; W99-L283 HydrophobicContact CG-CD1 3.64Å; Q279-L283 WeakPolarHBondContact O-CB 3.46Å; Q279-L283 PolarHBondContact O-N 2.88Å; A280-L283 PolarHBondContact O-N 3.08Å; L283-R286 PolarHBondContact O-N 3.25Å; L283-I287 HydrophobicContact CD1-CD1 4.16Å; L283-I287 HydrophobicContact CD1-CG1 4.38Å; L283-I287 HydrophobicContact CG-CD1 3.92Å; L283-I287 WeakPolarHBondContact O-CG1 3.47Å; L283-I287 PolarHBondContact O-N 3.17Å
284	E	66.6	Low	60.8	Low	55 Å²	55	87.8 Å²	87.8	26%	0.257	46%	0.457	S	S	.	.	H	α-helix	trans	-57.3	-49.4	174.4	170.9	168.1	-178.7	0	0	111.5	K241 A280 R286 I287 Q288	K241-E284 WeakPolarHBondContact CE-OE2 3.4Å; K241-E284 IonicContact NZ-OE1 3.76Å; K241-E284 PolarHBondContact NZ-OE1 3.29Å; K241-E284 IonicContact NZ-OE2 2.75Å; K241-E284 PolarHBondContact NZ-OE2 3.05Å; A280-E284 WeakPolarHBondContact O-CB 3.43Å; A280-E284 PolarHBondContact O-N 3.05Å; E284-R286 VanDerWaalsContact C-N 3.28Å; E284-R286 PolarHBondContact O-N 3.34Å; E284-I287 PolarHBondContact O-N 2.7Å; E284-I287 VanDerWaalsContact O-N 3.1Å; E284-Q288 WeakPolarHBondContact O-CG 3.38Å; E284-Q288 PolarHBondContact O-N 3.29Å; E284-Q288 PolarHBondContact OE1-NE2 3.4Å
285	K	71.1	Confident	59.4	Low	122 Å²	122	88.4 Å²	88.4	53%	0.53	47%	0.465	S	S	.	.	H	α-helix	trans	-57	-43.9	177.6	-162.8	-176.1	-174.2	-95	0	110.7	E281 I287 Q288 E289	E281-K285 WeakPolarHBondContact O-CB 3.34Å; E281-K285 PolarHBondContact O-N 2.93Å; K285-I287 PolarHBondContact O-N 2.84Å; K285-Q288 PolarHBondContact O-N 3.36Å; K285-E289 WeakPolarHBondContact CE-OE1 3.32Å; K285-E289 HydrophobicContact CG-CG 4.42Å; K285-E289 WeakPolarHBondContact CG-OE1 3.44Å; K285-E289 IonicContact NZ-OE1 2.63Å; K285-E289 PolarHBondContact NZ-OE1 3.36Å; K285-E289 VanDerWaalsContact O-CB 3.31Å; K285-E289 WeakPolarHBondContact O-CB 3.26Å; K285-E289 WeakPolarHBondContact O-CG 3.41Å; K285-E289 PolarHBondContact O-N 3.41Å
286	R	66.9	Low	57.7	Low	78 Å²	78	87 Å²	87	29%	0.294	47%	0.47	S	S	.	.	H	α-helix	trans	-67.4	-30.5	176.5	-77.2	-178.4	175.3	175.7	1.2	114.9	L282 L283 E284 E289 M290	L282-R286 WeakPolarHBondContact O-CG 2.99Å; L282-R286 PolarHBondContact O-N 3.1Å; L282-R286 VanDerWaalsContact O-N 3.15Å; L283-R286 PolarHBondContact O-N 3.25Å; E284-R286 VanDerWaalsContact C-N 3.28Å; E284-R286 PolarHBondContact O-N 3.34Å; R286-E289 WeakPolarHBondContact CA-OE2 3.47Å; R286-E289 WeakPolarHBondContact CG-OE2 3.07Å; R286-M290 WeakPolarHBondContact O-CE 3.44Å; R286-M290 WeakPolarHBondContact O-CG 3.35Å; R286-M290 PolarHBondContact O-N 2.9Å
287	I	64.6	Low	56.9	Low	20 Å²	20	90.8 Å²	90.8	10%	0.103	49%	0.493	C	S	.	.	H	α-helix	trans	-71	-44.9	173.5	-70.3	168.2	0	0	0	109.4	L283 E284 K285 M290 E291	L283-I287 HydrophobicContact CD1-CD1 4.16Å; L283-I287 HydrophobicContact CD1-CG1 4.38Å; L283-I287 HydrophobicContact CG-CD1 3.92Å; L283-I287 WeakPolarHBondContact O-CG1 3.47Å; L283-I287 PolarHBondContact O-N 3.17Å; E284-I287 PolarHBondContact O-N 2.7Å; E284-I287 VanDerWaalsContact O-N 3.1Å; K285-I287 PolarHBondContact O-N 2.84Å; I287-M290 HydrophobicContact CG1-CE 4.4Å; I287-M290 WeakPolarHBondContact O-CB 3.26Å; I287-M290 PolarHBondContact O-N 3.43Å; I287-M290 VanDerWaalsContact O-N 3.09Å; I287-E291 PolarHBondContact O-N 3.03Å; I287-E291 VanDerWaalsContact O-N 3.17Å
288	Q	61.7	Low	55.2	Low	94 Å²	94	88.9 Å²	88.9	44%	0.439	50%	0.501	S	S	.	.	H	α-helix	trans	-66.1	-37.3	177.1	-72.3	163.4	-5.5	0	0	112.6	E284 K285 M290 E291 G292	E284-Q288 WeakPolarHBondContact O-CG 3.38Å; E284-Q288 PolarHBondContact O-N 3.29Å; E284-Q288 PolarHBondContact OE1-NE2 3.4Å; K285-Q288 PolarHBondContact O-N 3.36Å; Q288-M290 PolarHBondContact O-N 3.22Å; Q288-E291 PolarHBondContact O-N 3.29Å; Q288-E291 VanDerWaalsContact O-N 3.09Å; Q288-G292 PolarHBondContact O-N 3.48Å
289	E	65.8	Low	53.4	Low	98 Å²	98	86.2 Å²	86.2	46%	0.458	51%	0.507	S	S	.	.	H	α-helix	trans	-62.2	-20.1	171.6	-75.4	162.8	168.1	0	0	113	K285 R286	K285-E289 WeakPolarHBondContact CE-OE1 3.32Å; K285-E289 HydrophobicContact CG-CG 4.42Å; K285-E289 WeakPolarHBondContact CG-OE1 3.44Å; K285-E289 IonicContact NZ-OE1 2.63Å; K285-E289 PolarHBondContact NZ-OE1 3.36Å; K285-E289 VanDerWaalsContact O-CB 3.31Å; K285-E289 WeakPolarHBondContact O-CB 3.26Å; K285-E289 WeakPolarHBondContact O-CG 3.41Å; K285-E289 PolarHBondContact O-N 3.41Å; R286-E289 WeakPolarHBondContact CA-OE2 3.47Å; R286-E289 WeakPolarHBondContact CG-OE2 3.07Å
290	M	53.6	Low	52.4	Low	67 Å²	67	92.9 Å²	92.9	33%	0.33	54%	0.538	S	S	.	.	H	α-helix	trans	-93.6	-19.1	171.7	-70.2	-173.7	-66.7	0	0	114	W99 R286 I287 Q288	W99-M290 HydrophobicContact CH2-CE 3.46Å; W99-M290 VanDerWaalsContact CH2-CE 3.46Å; W99-M290 HydrophobicContact CH2-SD 3.83Å; W99-M290 HydrophobicContact CZ2-CE 4.18Å; W99-M290 HydrophobicContact CZ3-CE 3.91Å; R286-M290 WeakPolarHBondContact O-CE 3.44Å; R286-M290 WeakPolarHBondContact O-CG 3.35Å; R286-M290 PolarHBondContact O-N 2.9Å; I287-M290 HydrophobicContact CG1-CE 4.4Å; I287-M290 WeakPolarHBondContact O-CB 3.26Å; I287-M290 PolarHBondContact O-N 3.43Å; I287-M290 VanDerWaalsContact O-N 3.09Å; Q288-M290 PolarHBondContact O-N 3.22Å
291	E	54.9	Low	51.2	Low	131 Å²	131	99.4 Å²	99.4	61%	0.612	56%	0.561	S	S	*	*	H	α-helix	trans	-82	-37.1	173.5	-69.3	177.1	153.9	0	0	110.8	I287 Q288 G293	I287-E291 PolarHBondContact O-N 3.03Å; I287-E291 VanDerWaalsContact O-N 3.17Å; Q288-E291 PolarHBondContact O-N 3.29Å; Q288-E291 VanDerWaalsContact O-N 3.09Å; E291-G293 PolarHBondContact O-N 2.96Å; E291-G293 VanDerWaalsContact O-N 3.16Å
292	G	42.8	Very low	49.5	Very low	49 Å²	49	102.9 Å²	102.9	51%	0.505	58%	0.583	S	S	.	*	S	Bend	trans	-81.5	79.7	172.4	0	0	0	0	0	112.6	Q288 A294	Q288-G292 PolarHBondContact O-N 3.48Å; G292-A294 PolarHBondContact O-N 3.42Å
293	G	43	Very low	47.7	Very low	81 Å²	81	106.5 Å²	106.5	84%	0.835	60%	0.602	S	S	*	*			trans	-65.3	79.3	-174	0	0	0	0	0	116.5	E291	E291-G293 PolarHBondContact O-N 2.96Å; E291-G293 VanDerWaalsContact O-N 3.16Å
294	A	33.1	Very low	46.7	Very low	85 Å²	85	113.2 Å²	113.2	70%	0.702	64%	0.638	S	S	*	*			trans	-154.6	135.9	162.3	0	0	0	0	0	111.1	G292 P296	G292-A294 PolarHBondContact O-N 3.42Å; A294-P296 WeakPolarHBondContact O-CD 3.32Å
295	M	39.3	Very low	45.1	Very low	177 Å²	177	117.7 Å²	117.7	87%	0.872	66%	0.664	S	S	*	*			trans	-91.5	123.7	167.5	-75.9	-79.1	-68.6	0	0	109.9
296	P	35.4	Very low	43.3	Very low	110 Å²	110	119 Å²	119	71%	0.714	68%	0.677	S	S	*	*			trans	-109.1	133.2	154.1	34.5	-26.6	0	0	0	110.6	A294 A298	A294-P296 WeakPolarHBondContact O-CD 3.32Å; P296-A298 PolarHBondContact O-N 3.13Å
297	D	40.2	Very low	41.8	Very low	163 Å²	163	124 Å²	124	87%	0.872	70%	0.704	S	S	*	*			trans	-70.2	124.6	170.4	-66.6	-61.1	0	0	0	111
298	A	33.9	Very low	40.3	Very low	91 Å²	91	129 Å²	129	75%	0.752	74%	0.735	S	S	*	*			trans	-153	106	161.9	0	0	0	0	0	106.5	P296	P296-A298 PolarHBondContact O-N 3.13Å
299	A	32.6	Very low	38.9	Very low	94 Å²	94	133.8 Å²	133.8	78%	0.777	76%	0.758	S	S	*	*				83.9	124.5	82.8	0	0	0	0	0	111.4
300	E	36	Very low	37.2	Very low	195 Å²	195	135 Å²	135	91%	0.911	77%	0.772	S	S	*	*			trans	-79.8	124.4	175.1	-63.4	175.1	141.1	0	0	108.5
301	E	33	Very low	36	Very low	182 Å²	182	139.8 Å²	139.8	85%	0.85	80%	0.799	S	S	*	*			trans	-114	114.9	167.8	-69.7	-173.4	147.7	0	0	107.7	D303	E301-D303 PolarHBondContact O-N 3.13Å
302	D	34.8	Very low	34.9	Very low	160 Å²	160	142.6 Å²	142.6	86%	0.856	81%	0.812	S	S	*	*			trans	-76.4	109	173.9	-74	-53.9	0	0	0	110	D304	D302-D304 PolarHBondContact O-N 2.97Å
303	D	34	Very low	34.2	Very low	164 Å²	164	147.8 Å²	147.8	88%	0.877	83%	0.828	S	S	*	*			trans	-83	81.8	166.8	-89.6	-22.7	0	0	0	109.5	E301	E301-D303 PolarHBondContact O-N 3.13Å
304	D	36.7	Very low	33.7	Very low	161 Å²	161	148.5 Å²	148.5	86%	0.861	82%	0.821	S	S	*	*			trans	-87.1	104.3	171.4	-137.4	3.3	0	0	0	109.1	D302	D302-D304 PolarHBondContact O-N 2.97Å
305	D	34.1	Very low	33.6	Very low	149 Å²	149	150 Å²	150	80%	0.797	83%	0.826	S	S	*	*			trans	-149	78.6	-170.5	-141.2	13.4	0	0	0	111.5
306	D	31.9	Very low	33.1	Very low	151 Å²	151	146.4 Å²	146.4	81%	0.807	82%	0.824	S	S	*	*			trans	-113.2	87.6	173.7	-168.3	38	0	0	0	110.7	T308	D306-T308 PolarHBondContact O-N 2.9Å
307	E	36.4	Very low	32.7	Very low	183 Å²	183	145 Å²	145	86%	0.855	82%	0.821	S	S	*	*			trans	-71.7	114.1	175.9	-77.3	-164.6	128.4	0	0	111.7	E309	E307-E309 PolarHBondContact O-N 2.88Å
308	T	32.1	Very low	32.1	Very low	123 Å²	123	143.9 Å²	143.9	76%	0.755	82%	0.821	S	S	*	*			trans	-71.4	122.8	174.1	58	0	0	0	0	112.3	D306	D306-T308 PolarHBondContact O-N 2.9Å
309	E	32.8	Very low	32	Very low	196 Å²	196	145.3 Å²	145.3	92%	0.916	82%	0.82	S	S	*	*			trans	-118	116.6	153.9	-80.7	-156.9	142.4	0	0	110.8	E307	E307-E309 PolarHBondContact O-N 2.88Å
310	T	30.4	Very low	32.3	Very low	124 Å²	124	146.7 Å²	146.7	76%	0.761	82%	0.821	S	S	*	*			trans	-87.4	146.3	167	48.2	0	0	0	0	110.5
311	N	28.9	Very low	31.9	Very low	167 Å²	167	143.4 Å²	143.4	89%	0.893	81%	0.814	S	S	*	*			trans	-162.1	144	137.1	-103.3	-60.9	0	0	0	110.3
312	E	32.2	Very low	31.9	Very low	190 Å²	190	139.5 Å²	139.5	89%	0.888	81%	0.807	S	S	*	*			trans	-96.7	151.1	-175.4	-55.8	174.9	123.4	0	0	111
313	D	27.6	Very low	31.6	Very low	157 Å²	157	137 Å²	137	84%	0.84	80%	0.802	S	S	*	*				-148.5	165.7	129.2	-155.6	-4.2	0	0	0	109.4
314	S	32.4	Very low	31.6	Very low	97 Å²	97	134.6 Å²	134.6	68%	0.678	79%	0.793	S	S	*	*			trans	-133.5	152.4	-152.7	66.6	0	0	0	0	113.6
315	S	30.3	Very low	31.5	Very low	117 Å²	117	133.3 Å²	133.3	82%	0.818	79%	0.786	S	S	*	*			trans	178.4	130.9	133.1	35	0	0	0	0	113.5
316	A	28.4	Very low	31.4	Very low	101 Å²	101	133.5 Å²	133.5	84%	0.835	78%	0.782	S	S	*	*			trans	54.3	141	148	0	0	0	0	0	121.9
317	A	28.7	Very low	31.4	Very low	79 Å²	79	132.4 Å²	132.4	65%	0.653	78%	0.776	S	S	*	*			cis	-166.5	144.7	-16.1	0	0	0	0	0	112.2
318	T	27.3	Very low	31.2	Very low	140 Å²	140	129.3 Å²	129.3	86%	0.859	77%	0.769	S	S	*	*			trans	58.2	130.3	146.8	52.1	0	0	0	0	122.8
319	V	31.5	Very low	31.2	Very low	122 Å²	122	127.4 Å²	127.4	74%	0.739	77%	0.766	S	S	*	*			trans	-87.1	171.1	167.2	-145.8	0	0	0	0	110.8	V321	V319-V321 HydrophobicContact CG1-CG2 4.32Å
320	P	38.4	Very low	31.2	Very low	123 Å²	123	124 Å²	124	80%	0.799	75%	0.754	S	S	*	*				-153.5	122.3	92.7	36.6	-16.1	0	0	0	118.5
321	V	28.9	Very low	31.4	Very low	125 Å²	125	124.9 Å²	124.9	76%	0.758	75%	0.749	S	S	*	*				31.9	119	119.1	-173.4	0	0	0	0	122.1	V319	V319-V321 HydrophobicContact CG1-CG2 4.32Å
322	S	31.3	Very low	31.4	Very low	101 Å²	101	122.9 Å²	122.9	71%	0.706	74%	0.743	S	S	*	*			trans	71.3	130.3	137.3	-163.1	0	0	0	0	125.4
323	S	30.2	Very low	31.2	Very low	106 Å²	106	117.9 Å²	117.9	74%	0.741	73%	0.729	S	S	*	*				-168	121	129.7	47.4	0	0	0	0	110
324	T	34	Very low	31.2	Very low	114 Å²	114	116.9 Å²	116.9	70%	0.699	73%	0.729	S	S	*	*				71.8	129.4	66.9	56.7	0	0	0	0	115.4
325	L	33.3	Very low	31	Very low	135 Å²	135	118.7 Å²	118.7	71%	0.707	73%	0.731	S	S	*	*			cis	-118	-127.5	-3.7	-65.5	92	0	0	0	110.7
326	Q	32.2	Very low	30.9	Very low	153 Å²	153	117.7 Å²	117.7	72%	0.715	72%	0.724	S	S	*	*			cis	-169.1	151.3	-1.1	-144.7	127.4	19.9	0	0	107.7
327	D	32.2	Very low	31	Very low	128 Å²	128	119.1 Å²	119.1	68%	0.684	72%	0.723	S	S	*	*			cis	-168.3	-174.8	-9.8	-140.5	-47.2	0	0	0	111.8
328	V	31.5	Very low	32.1	Very low	118 Å²	118	120.4 Å²	120.4	72%	0.715	72%	0.724	S	S	*	*			trans	61.5	95.2	163.5	-158.7	0	0	0	0	122
329	A	32.7	Very low	32.2	Very low	82 Å²	82	120.7 Å²	120.7	68%	0.678	72%	0.721	S	S	*	*				40.4	150.6	112	0	0	0	0	0	122.4
330	N	32.4	Very low	32.1	Very low	125 Å²	125	123.4 Å²	123.4	67%	0.668	73%	0.725	S	S	*	*			cis	-167	166.8	5.6	-137.5	-18.2	0	0	0	115.6
331	H	34.1	Very low	31.6	Very low	142 Å²	142	126 Å²	126	66%	0.657	73%	0.727	S	S	*	*			trans	69.5	115.1	147	-66.2	-35.7	0	0	0	124.8
332	T	28.9	Very low	32.4	Very low	125 Å²	125	125.6 Å²	125.6	77%	0.767	73%	0.726	S	S	*	*				60.6	152.4	128	59.2	0	0	0	0	123.2
333	S	29.1	Very low	33.4	Very low	86 Å²	86	126 Å²	126	60%	0.601	73%	0.727	S	S	*	*			cis	178.6	140.9	-25.2	53.8	0	0	0	0	110.7
334	T	28	Very low	34.4	Very low	136 Å²	136	126.7 Å²	126.7	83%	0.834	73%	0.729	S	S	*	*			trans	59.4	162.1	161.1	57.3	0	0	0	0	116.4
335	D	27.4	Very low	34.5	Very low	135 Å²	135	127 Å²	127	72%	0.722	73%	0.73	S	S	*	*			cis	-158.4	171.3	15.4	-165.3	27.3	0	0	0	113
336	S	28.3	Very low	34.9	Very low	96 Å²	96	126.8 Å²	126.8	67%	0.671	74%	0.738	S	S	*	*			trans	60	139.3	148.8	-76.3	0	0	0	0	124.3
337	T	31.4	Very low	34.9	Very low	131 Å²	131	127.4 Å²	127.4	80%	0.804	74%	0.74	S	S	*	*			trans	-103.7	-172.4	155.6	56.4	0	0	0	0	108.6
338	P	50.3	Low	35	Very low	106 Å²	106	128.3 Å²	128.3	69%	0.688	74%	0.744	S	S	*	*			cis	-138.5	-170.3	0.3	39	-16.9	0	0	0	116.4
339	D	30.2	Very low	34.9	Very low	146 Å²	146	125.7 Å²	125.7	78%	0.781	74%	0.741	S	S	*	*			trans	100.2	148.7	136.3	-106.8	-39.8	0	0	0	126.7
340	E	28.8	Very low	34.9	Very low	179 Å²	179	128.9 Å²	128.9	84%	0.836	74%	0.742	S	S	*	*			trans	59.7	164.4	161	-75	-159	96.4	0	0	125.2
341	Q	27.8	Very low	35	Very low	178 Å²	178	129.5 Å²	129.5	83%	0.832	74%	0.741	S	S	*	*			trans	-117.2	-160.8	-171.5	-37.1	176	-81.6	0	0	110.2
342	P	47.5	Very low	34.9	Very low	115 Å²	115	131 Å²	131	75%	0.747	75%	0.745	S	S	*	*			cis	-120.3	-100.1	-23.3	18.7	5.3	0	0	0	117.2
343	P	52.1	Low	35	Very low	110 Å²	110	130 Å²	130	71%	0.714	75%	0.75	S	S	*	*			trans	-120.1	-161.8	-132.9	43.3	-23.6	0	0	0	113.1
344	P	50.6	Low	34.9	Very low	120 Å²	120	129.8 Å²	129.8	78%	0.779	76%	0.761	S	S	*	*			cis	-141.5	-149.4	8.7	45.9	-23.8	0	0	0	116.4
345	T	34.8	Very low	34.9	Very low	120 Å²	120	128.3 Å²	128.3	74%	0.736	76%	0.763	S	S	*	*			trans	-78.1	176.8	-174.7	50.9	0	0	0	0	115.4
346	P	42.3	Very low	35	Very low	132 Å²	132	126 Å²	126	86%	0.857	76%	0.762	S	S	*	*				-129.4	-172.6	118.1	39.1	-32.8	0	0	0	114.5
347	E	32.9	Very low	35.1	Very low	166 Å²	166	130.5 Å²	130.5	78%	0.776	77%	0.773	S	S	*	*			trans	-144.7	179.7	-151.2	-166.2	-170.8	-146	0	0	112.6
348	L	33.3	Very low	35	Very low	146 Å²	146	133.8 Å²	133.8	76%	0.764	78%	0.779	S	S	*	*			trans	87	136.2	161.2	-51.5	167	0	0	0	117.9
349	G	29.3	Very low	34.1	Very low	63 Å²	63	137.3 Å²	137.3	65%	0.649	79%	0.786	S	S	*	*			cis	163.9	171.9	-13.5	0	0	0	0	0	116.3
350	H	34.2	Very low	33.9	Very low	150 Å²	150	136.6 Å²	136.6	69%	0.694	78%	0.782	S	S	*	*			trans	74.7	112.1	157.7	-72.3	65.7	0	0	0	119.7
351	Q	33	Very low	33.9	Very low	137 Å²	137	136.4 Å²	136.4	64%	0.64	77%	0.774	S	S	*	*				77.3	138.3	89.1	-75.5	-161.1	71.8	0	0	114.5
352	K	32.4	Very low	33.9	Very low	174 Å²	174	136.7 Å²	136.7	76%	0.757	78%	0.778	S	S	*	*			cis	-166.9	155.8	-2.1	-134.9	-178.3	-164.1	146.8	0	112.2
353	A	31.5	Very low	33	Very low	105 Å²	105	138.1 Å²	138.1	87%	0.868	77%	0.774	S	S	*	*			trans	61.8	136	150.3	0	0	0	0	0	122.4
354	G	26.9	Very low	31.9	Very low	81 Å²	81	140.5 Å²	140.5	84%	0.835	78%	0.779	S	S	*	*			trans	171.7	156	173.2	0	0	0	0	0	109.8
355	A	28.5	Very low	30.7	Very low	105 Å²	105	142.1 Å²	142.1	87%	0.868	78%	0.781	S	S	*	*			trans	-136.3	167.6	-168.9	0	0	0	0	0	114.8
356	A	29.1	Very low	30.3	Very low	86 Å²	86	141.2 Å²	141.2	71%	0.711	78%	0.779	S	S	*	*			trans	87.3	134.5	168	0	0	0	0	0	119.1
357	E	30.1	Very low	29.7	Very low	190 Å²	190	142.6 Å²	142.6	89%	0.888	78%	0.779	S	S	*	*			trans	37.9	127.1	138.9	-62.7	162.3	-173.1	0	0	118.6
358	E	29.6	Very low	29.4	Very low	200 Å²	200	137.9 Å²	137.9	94%	0.935	78%	0.775	S	S	*	*				-160.3	-162.5	67.4	-142.2	175.5	-170.6	0	0	113.6
359	E	30.2	Very low	29.1	Very low	180 Å²	180	140.2 Å²	140.2	84%	0.841	78%	0.781	S	S	*	*			trans	-93.3	176	-167	-61.7	-168.2	120.6	0	0	117.1
360	N	27.8	Very low	28.9	Very low	131 Å²	131	142 Å²	142	70%	0.701	78%	0.784	S	S	*	*			trans	102	93.3	133.4	-139.5	17.7	0	0	0	120.1
361	R	28.2	Very low	28.4	Very low	176 Å²	176	140.7 Å²	140.7	66%	0.664	79%	0.792	S	S	*	*				33.9	114.6	117.5	-157.2	177.9	-173	-86.5	-9.2	117.6	E363	R361-E363 VanDerWaalsContact CZ-CD 3.49Å; R361-E363 IonicContact CZ-OE1 3.63Å; R361-E363 VanDerWaalsContact CZ-OE1 3.32Å; R361-E363 IonicContact CZ-OE2 2.7Å; R361-E363 IonicContact NH1-OE1 3.75Å; R361-E363 PolarHBondContact NH1-OE1 2.7Å; R361-E363 IonicContact NH1-OE2 3.68Å; R361-E363 PolarHBondContact NH1-OE2 3.24Å; R361-E363 VanDerWaalsContact NH2-CD 3.31Å; R361-E363 IonicContact NH2-OE1 3.89Å; R361-E363 PolarHBondContact NH2-OE1 3.16Å; R361-E363 IonicContact NH2-OE2 3.51Å
362	M	27.2	Very low	28	Very low	184 Å²	184	139.8 Å²	139.8	91%	0.906	80%	0.801	S	S	*	*			trans	-114.4	118.1	159.2	-78.1	-170.2	171.7	0	0	111.4
363	E	28.4	Very low	29.3	Very low	145 Å²	145	137.2 Å²	137.2	68%	0.678	80%	0.801	S	S	*	*			trans	-91.1	141.8	159.4	-71.9	170.4	144.9	0	0	108.6	R361	R361-E363 VanDerWaalsContact CZ-CD 3.49Å; R361-E363 IonicContact CZ-OE1 3.63Å; R361-E363 VanDerWaalsContact CZ-OE1 3.32Å; R361-E363 IonicContact CZ-OE2 2.7Å; R361-E363 IonicContact NH1-OE1 3.75Å; R361-E363 PolarHBondContact NH1-OE1 2.7Å; R361-E363 IonicContact NH1-OE2 3.68Å; R361-E363 PolarHBondContact NH1-OE2 3.24Å; R361-E363 VanDerWaalsContact NH2-CD 3.31Å; R361-E363 IonicContact NH2-OE1 3.89Å; R361-E363 PolarHBondContact NH2-OE1 3.16Å; R361-E363 IonicContact NH2-OE2 3.51Å
364	I	29.8	Very low	29	Very low	160 Å²	160	141.5 Å²	141.5	82%	0.821	80%	0.804	S	S	*	*			trans	-124.7	107.3	172.2	-60.5	174.9	0	0	0	108.7
365	N	26.1	Very low	29	Very low	153 Å²	153	145 Å²	145	82%	0.818	80%	0.803	S	S	*	*			trans	-153.3	137.8	158.7	-163.5	-0.9	0	0	0	109.1
366	C	25.9	Very low	28.8	Very low	101 Å²	101	149.2 Å²	149.2	68%	0.682	80%	0.802	S	S	*	*			trans	-147.4	148.2	-175.3	-74.4	0	0	0	0	112.1
367	N	29.6	Very low	28.7	Very low	162 Å²	162	151.7 Å²	151.7	87%	0.866	80%	0.803	S	S	*	*			trans	65.6	118.3	175.1	-52.4	-15	0	0	0	115.1
368	G	26.4	Very low	28.5	Very low	66 Å²	66	147.4 Å²	147.4	68%	0.68	79%	0.794	S	S	*	*			cis	97.8	86.6	-9.8	0	0	0	0	0	115.9
369	H	26.5	Very low	28.5	Very low	195 Å²	195	143.8 Å²	143.8	90%	0.903	79%	0.791	S	S	*	*			trans	-156.4	170.2	141.4	-116.6	65	0	0	0	111.9
370	S	24.8	Very low	28.5	Very low	102 Å²	102	143.4 Å²	143.4	71%	0.713	79%	0.789	S	S	*	*			trans	-122.3	149.4	-157.6	51.1	0	0	0	0	114.6
371	S	24.6	Very low	28.5	Very low	122 Å²	122	147 Å²	147	85%	0.853	80%	0.798	S	S	*	*			trans	-178.4	154.1	135.5	50.4	0	0	0	0	111.8
372	S	24.4	Very low	28.5	Very low	118 Å²	118	147.4 Å²	147.4	83%	0.825	81%	0.808	S	S	*	*			trans	-137.3	177.5	174.3	-44.4	0	0	0	0	108.1
373	P	59.2	Low	28.4	Very low	119 Å²	119	141.8 Å²	141.8	77%	0.773	80%	0.797	S	S	*	*			cis	-123.3	174.4	-46.3	37.7	-25.4	0	0	0	111.1
374	E	25	Very low	28.3	Very low	196 Å²	196	141.2 Å²	141.2	92%	0.916	80%	0.804	S	S	*	*			trans	-164.6	176.6	144.2	-119.9	173.3	-161.1	0	0	115.2
375	N	26.5	Very low	28.2	Very low	153 Å²	153	143 Å²	143	82%	0.818	81%	0.806	S	S	*	*			trans	-100	-179.5	-166.9	-80.1	-60.2	0	0	0	114.4
376	K	26.3	Very low	28.3	Very low	195 Å²	195	145.4 Å²	145.4	85%	0.848	81%	0.812	S	S	*	*			trans	90.3	147.5	165	-65.9	179.7	-179.8	176.3	0	116.6
377	D	25.4	Very low	28.4	Very low	138 Å²	138	146 Å²	146	74%	0.738	82%	0.817	S	S	*	*			cis	-158.4	170	-24.8	-149.4	-47.7	0	0	0	108.6
378	S	27.3	Very low	28.5	Very low	99 Å²	99	143.2 Å²	143.2	69%	0.692	82%	0.817	S	S	*	*			trans	-26	139.9	170.9	47.9	0	0	0	0	120.2
379	S	29	Very low	28.5	Very low	124 Å²	124	149.2 Å²	149.2	87%	0.867	83%	0.827	S	S	*	*				-155.3	134.7	124.9	63.1	0	0	0	0	111.4
380	E	29.1	Very low	28.5	Very low	173 Å²	173	148 Å²	148	81%	0.808	82%	0.822	S	S	*	*			trans	-92.7	152.6	-179.2	-51.9	166.4	109.1	0	0	112.3
381	K	29.8	Very low	28.8	Very low	206 Å²	206	151.2 Å²	151.2	90%	0.896	83%	0.826	S	S	*	*				-168.9	167.3	119.4	-104.6	157.5	-172.4	172	0	114
382	Q	27.5	Very low	29.1	Very low	184 Å²	184	154.3 Å²	154.3	86%	0.86	83%	0.827	S	S	*	*			trans	-109.4	157.1	-156.2	-59.3	160.9	-47.2	0	0	113.9
383	G	24.8	Very low	29.2	Very low	67 Å²	67	154 Å²	154	69%	0.691	82%	0.816	S	S	*	*			trans	102.5	135.4	159.2	0	0	0	0	0	114.9
384	T	25.9	Very low	27.8	Very low	133 Å²	133	158 Å²	158	82%	0.816	82%	0.824	S	S	*	*			cis	-160.8	145.8	0.3	-7.3	0	0	0	0	111.5
385	K	28.4	Very low	28.2	Very low	198 Å²	198	155.4 Å²	155.4	86%	0.861	81%	0.812	S	S	*	*			trans	49.3	102.3	159.6	-64.1	-171.7	176.5	-171.5	0	118.2
386	E	27.5	Very low	28.2	Very low	203 Å²	203	155.8 Å²	155.8	95%	0.949	81%	0.814	S	S	*	*			trans	-138.4	134.4	132.8	-119.7	167.2	-158.9	0	0	107.8
387	S	28.3	Very low	28.3	Very low	113 Å²	113	149.4 Å²	149.4	79%	0.79	80%	0.797	S	S	*	*			trans	-123.9	106.1	-174.7	53.6	0	0	0	0	109.3
388	A	30.9	Very low	28.6	Very low	104 Å²	104	149.3 Å²	149.3	86%	0.86	80%	0.797	S	S	*	*			trans	-81.2	125.7	163	0	0	0	0	0	108.4
389	E	26.5	Very low	28.7	Very low	191 Å²	191	152.2 Å²	152.2	89%	0.893	80%	0.8	S	S	*	*			trans	-153.2	101.8	168.2	-119.1	160.1	-145.4	0	0	107.5
390	E	28.3	Very low	29.2	Very low	169 Å²	169	151.8 Å²	151.8	79%	0.79	79%	0.794	S	S	*	*			trans	-85.5	138.7	165.6	-73.1	-166.4	94.6	0	0	109.4
391	Q	30.9	Very low	29	Very low	170 Å²	170	153.3 Å²	153.3	79%	0.794	80%	0.801	S	S	*	*			trans	43.9	87	143.3	-56	-178.6	58.1	0	0	117.8
392	E	29.7	Very low	28.8	Very low	188 Å²	188	148.8 Å²	148.8	88%	0.879	80%	0.795	S	S	*	*				-159.7	138	115.5	-112.1	173.9	-175.8	0	0	110.2
393	D	26.1	Very low	28.7	Very low	111 Å²	111	147.2 Å²	147.2	59%	0.594	80%	0.798	S	S	*	*				-173.7	128.5	110.3	-130.6	-23.8	0	0	0	112.6	Q395	D393-Q395 VanDerWaalsContact CG-NE2 3.34Å; D393-Q395 WeakPolarHBondContact OD1-CB 3.41Å; D393-Q395 WeakPolarHBondContact OD1-CG 3.49Å; D393-Q395 PolarHBondContact OD1-NE2 3.11Å; D393-Q395 PolarHBondContact OD2-NE2 3.27Å; D393-Q395 VanDerWaalsContact OD2-NE2 3.11Å
394	Q	31.3	Very low	28.8	Very low	204 Å²	204	148.5 Å²	148.5	95%	0.953	80%	0.802	S	S	*	*			trans	-107.6	73.3	153.4	-83.5	-167	49.6	0	0	108.3
395	Q	32.8	Very low	28.8	Very low	141 Å²	141	151.5 Å²	151.5	66%	0.659	81%	0.807	S	S	*	*			trans	-124.1	133.5	173.5	-82	-177.6	79	0	0	112.8	D393	D393-Q395 VanDerWaalsContact CG-NE2 3.34Å; D393-Q395 WeakPolarHBondContact OD1-CB 3.41Å; D393-Q395 WeakPolarHBondContact OD1-CG 3.49Å; D393-Q395 PolarHBondContact OD1-NE2 3.11Å; D393-Q395 PolarHBondContact OD2-NE2 3.27Å; D393-Q395 VanDerWaalsContact OD2-NE2 3.11Å
396	N	26.5	Very low	28.6	Very low	161 Å²	161	148.4 Å²	148.4	86%	0.861	81%	0.805	S	S	*	*				-142.8	119.3	124.3	-149.6	-6	0	0	0	108.9
397	A	28.2	Very low	30	Very low	60 Å²	60	143.9 Å²	143.9	50%	0.496	79%	0.793	S	S	.	*			trans	-72.8	-158.5	164.2	0	0	0	0	0	108.5
398	N	32.4	Very low	29.8	Very low	136 Å²	136	145.9 Å²	145.9	73%	0.727	80%	0.795	S	S	*	*			cis	175.1	167	35.9	-129.2	-16	0	0	0	104.3
399	Q	28.3	Very low	29.6	Very low	160 Å²	160	144.9 Å²	144.9	75%	0.748	78%	0.782	S	S	*	*			cis	-143.7	169.4	6.3	-80.3	-157.4	-23.5	0	0	109.6
400	P	39.3	Very low	29.7	Very low	115 Å²	115	143.4 Å²	143.4	75%	0.747	78%	0.779	S	S	*	*			trans	-84.7	159.9	165.3	36	-35.6	0	0	0	113.1
401	E	25.9	Very low	29.5	Very low	206 Å²	206	139.7 Å²	139.7	96%	0.963	77%	0.77	S	S	*	*			trans	-133.9	160.5	157.8	-97.9	-165.1	157.2	0	0	110.6
402	S	26.2	Very low	29.3	Very low	111 Å²	111	138.2 Å²	138.2	78%	0.776	77%	0.768	S	S	*	*			trans	-115.7	140.1	-166	59.5	0	0	0	0	113.9
403	T	23.9	Very low	29.3	Very low	150 Å²	150	137 Å²	137	92%	0.92	76%	0.76	S	S	*	*			trans	-134.9	149.5	147.3	44.7	0	0	0	0	109.8
404	A	27.5	Very low	29.4	Very low	94 Å²	94	139 Å²	139	78%	0.777	77%	0.765	S	S	*	*			trans	-123.1	143.1	173.1	0	0	0	0	0	108.5
405	E	25.3	Very low	29.4	Very low	197 Å²	197	137.7 Å²	137.7	92%	0.921	76%	0.759	S	S	*	*			trans	-160.4	155.7	155.8	-119.5	163.6	-150.2	0	0	111.2
406	T	24.6	Very low	29.3	Very low	133 Å²	133	138.2 Å²	138.2	82%	0.816	76%	0.761	S	S	*	*			trans	-147.4	175.4	-177.3	56.8	0	0	0	0	107.8
407	P	57.2	Low	29.5	Very low	108 Å²	108	137.8 Å²	137.8	70%	0.701	75%	0.754	S	S	*	*			cis	-122.6	174.3	-49.8	38.2	-25.8	0	0	0	110.8
408	D	24.4	Very low	29.5	Very low	154 Å²	154	139.9 Å²	139.9	82%	0.824	76%	0.761	S	S	*	*			trans	171.6	164.3	153.3	-99.5	-22.6	0	0	0	110.3
409	S	25.9	Very low	29.4	Very low	84 Å²	84	138.8 Å²	138.8	59%	0.587	76%	0.764	S	S	*	*			cis	-178.9	156.2	-34	-103.9	0	0	0	0	109
410	I	28.8	Very low	29.5	Very low	160 Å²	160	138.6 Å²	138.6	82%	0.821	77%	0.768	S	S	*	*			trans	67.5	139.2	155.7	-68.8	163.3	0	0	0	116.1
411	C	23.6	Very low	29.1	Very low	91 Å²	91	137.1 Å²	137.1	62%	0.615	77%	0.766	S	S	*	*			cis	-168.4	158.1	-12.4	-114.6	0	0	0	0	110.7
412	N	27.9	Very low	29.4	Very low	138 Å²	138	132.8 Å²	132.8	74%	0.738	76%	0.758	S	S	*	*			trans	65.3	150	146	-61.7	1	0	0	0	118.4
413	K	29.4	Very low	30.4	Very low	164 Å²	164	133.1 Å²	133.1	71%	0.713	76%	0.758	S	S	*	*			cis	-142.6	151.2	12.8	-116.4	155.9	171.4	-155.3	0	108.6
414	E	28.8	Very low	30.8	Very low	152 Å²	152	130.3 Å²	130.3	71%	0.71	75%	0.75	S	S	*	*				46	135.8	85.1	-42.8	174.9	133.5	0	0	113
415	E	30	Very low	31.1	Very low	177 Å²	177	134.8 Å²	134.8	83%	0.827	76%	0.755	S	S	*	*			cis	-124.2	158.3	29	-68.1	148.9	177.7	0	0	111.1
416	H	30.6	Very low	31.3	Very low	151 Å²	151	130.3 Å²	130.3	70%	0.699	75%	0.751	S	S	*	*				52	139.8	63.5	-69.4	-104.5	0	0	0	113.6
417	E	31.6	Very low	31.7	Very low	152 Å²	152	131.3 Å²	131.3	71%	0.71	75%	0.752	S	S	*	*			cis	-165.5	172.2	-4	-108.4	177.4	-164.7	0	0	107.9
418	T	27.8	Very low	31.6	Very low	104 Å²	104	131.5 Å²	131.5	64%	0.638	75%	0.753	S	S	*	*			cis	-163.6	152.4	-2.1	19.9	0	0	0	0	109.3
419	S	29.7	Very low	32.1	Very low	114 Å²	114	128.4 Å²	128.4	80%	0.797	75%	0.748	S	S	*	*			trans	61.3	168.7	145.4	65.8	0	0	0	0	121.7
420	D	30.4	Very low	32.4	Very low	155 Å²	155	130.3 Å²	130.3	83%	0.829	76%	0.762	S	S	*	*			cis	-172.8	172.7	-40.8	-168.4	14.9	0	0	0	108.5
421	A	30.8	Very low	32.7	Very low	85 Å²	85	131.3 Å²	131.3	70%	0.702	76%	0.763	S	S	*	*			trans	71.7	120.2	158.8	0	0	0	0	0	121.5
422	S	32.3	Very low	33.9	Very low	115 Å²	115	132.4 Å²	132.4	80%	0.804	77%	0.769	S	S	*	*			trans	-84.7	177.8	150	-32.6	0	0	0	0	109.7
423	P	48	Very low	34.2	Very low	118 Å²	118	133.4 Å²	133.4	77%	0.766	77%	0.773	S	S	*	*				-155.6	-179.2	56.8	43	-21.5	0	0	0	118.3
424	A	33	Very low	35.2	Very low	90 Å²	90	131.9 Å²	131.9	74%	0.744	78%	0.78	S	S	*	*			trans	63.1	164.2	151.3	0	0	0	0	0	120
425	E	32.7	Very low	35.4	Very low	189 Å²	189	129.2 Å²	129.2	88%	0.883	79%	0.785	S	S	*	*			cis	-169	146.4	-36.5	-96.2	-159.5	161.4	0	0	105.9
426	A	30.2	Very low	35.7	Very low	103 Å²	103	125.4 Å²	125.4	85%	0.851	78%	0.777	S	S	*	*			trans	163.5	135.4	145.8	0	0	0	0	0	114.4
427	D	33.3	Very low	35.7	Very low	154 Å²	154	126.4 Å²	126.4	82%	0.824	79%	0.787	S	S	*	*			trans	-108.1	-175.7	157.5	-130.4	-17.3	0	0	0	107
428	P	54.3	Low	35.6	Very low	112 Å²	112	122.2 Å²	122.2	73%	0.727	79%	0.785	S	S	*	*			cis	-142.2	166.9	16.9	43.1	-23.5	0	0	0	119.2
429	A	35.1	Very low	35.7	Very low	88 Å²	88	122.4 Å²	122.4	73%	0.727	79%	0.79	S	S	*	*			trans	53.7	131.5	137.9	0	0	0	0	0	124.1
430	S	32.5	Very low	35.8	Very low	124 Å²	124	124.1 Å²	124.1	87%	0.867	79%	0.79	S	S	*	*				177	153.2	111.7	55.9	0	0	0	0	115.4
431	E	35.4	Very low	35.8	Very low	181 Å²	181	123.5 Å²	123.5	85%	0.846	79%	0.792	S	S	*	*			trans	-87.5	-177	174.4	-103.4	-172.8	-165.9	0	0	112.7
432	P	48.6	Very low	35.7	Very low	115 Å²	115	123.6 Å²	123.6	75%	0.747	79%	0.793	S	S	*	*			cis	-147	-166.8	24.4	44.9	-23	0	0	0	118.6
433	L	34.5	Very low	35.6	Very low	158 Å²	158	125.3 Å²	125.3	83%	0.827	80%	0.798	S	S	*	*			trans	-77.7	172.5	173.7	-61.9	168.3	0	0	0	115
434	P	49.6	Very low	34.8	Very low	132 Å²	132	127.6 Å²	127.6	86%	0.857	80%	0.798	S	S	*	*				-146.5	-174.2	116.5	41.1	-26.8	0	0	0	116
435	A	34.1	Very low	35.6	Very low	97 Å²	97	128 Å²	128	80%	0.802	79%	0.793	S	S	*	*			trans	-139.8	-166.9	177.7	0	0	0	0	0	110.3
436	S	34.6	Very low	35.5	Very low	96 Å²	96	125.1 Å²	125.1	67%	0.671	78%	0.784	S	S	*	*			cis	-169.7	-168.5	17.9	50.5	0	0	0	0	110.9
437	L	32.3	Very low	35.6	Very low	173 Å²	173	127 Å²	127	91%	0.906	78%	0.78	S	S	*	*			trans	80.5	148.4	168.9	-46.2	176.4	0	0	0	117.3
438	G	27.7	Very low	35.3	Very low	64 Å²	64	122.7 Å²	122.7	66%	0.66	77%	0.771	S	S	*	*			cis	175.9	159.7	-9.2	0	0	0	0	0	116.2
439	S	31.1	Very low	34.2	Very low	108 Å²	108	126.7 Å²	126.7	76%	0.755	78%	0.781	S	S	*	*			trans	55.6	120.4	143.9	60.4	0	0	0	0	125.1
440	D	30.8	Very low	34	Very low	149 Å²	149	132.8 Å²	132.8	80%	0.797	79%	0.785	S	S	*	*				91.1	127.7	120.5	-72.5	-32.2	0	0	0	126.6
441	V	30.2	Very low	33.7	Very low	143 Å²	143	132.6 Å²	132.6	87%	0.867	77%	0.773	S	S	*	*			trans	77.3	149.7	141.5	175.2	0	0	0	0	120.2
442	A	29.8	Very low	33.3	Very low	87 Å²	87	130.4 Å²	130.4	72%	0.719	76%	0.763	S	S	*	*			trans	-119.1	171.6	-170.8	0	0	0	0	0	113.3
443	V	29.4	Very low	32.3	Very low	150 Å²	150	133.1 Å²	133.1	91%	0.909	76%	0.763	S	S	*	*			trans	178	148.8	138.5	144.1	0	0	0	0	112.5
444	E	32.1	Very low	31.9	Very low	167 Å²	167	134.5 Å²	134.5	78%	0.78	76%	0.763	S	S	*	*			trans	-70.4	-171.2	174	-77.7	-84.3	142.6	0	0	113.5
445	P	49.3	Very low	30.8	Very low	98 Å²	98	135.8 Å²	135.8	64%	0.636	76%	0.759	S	S	*	*			cis	-145	-164.8	9.7	46.7	-27.2	0	0	0	117.7
446	N	30.7	Very low	30.4	Very low	128 Å²	128	137.2 Å²	137.2	68%	0.684	75%	0.753	S	S	*	*			trans	81.3	150	155	-79.4	33.9	0	0	0	119.1
447	D	31.1	Very low	30	Very low	143 Å²	143	140 Å²	140	77%	0.765	76%	0.761	S	S	*	*			cis	-155.2	161.3	10.3	-132	-37.1	0	0	0	114.8
448	G	27.9	Very low	29.7	Very low	63 Å²	63	138.9 Å²	138.9	65%	0.649	75%	0.753	S	S	*	*			trans	80.7	147.6	162.8	0	0	0	0	0	119
449	E	31.3	Very low	29.7	Very low	197 Å²	197	143.3 Å²	143.3	92%	0.921	76%	0.756	S	S	*	*			cis	-149.1	173.3	-3.7	-84.5	-150.8	101.4	0	0	113.5
450	R	30.5	Very low	29.4	Very low	216 Å²	216	143.3 Å²	143.3	82%	0.815	75%	0.751	S	S	*	*			trans	-61.9	171.8	176.4	-86.8	173	125.3	171.6	-2	115.3
451	L	27.1	Very low	29.1	Very low	120 Å²	120	145.4 Å²	145.4	63%	0.628	76%	0.756	S	S	*	*			cis	-159.1	168.5	14.4	-123.6	155.4	0	0	0	112.5
452	E	27.2	Very low	28.9	Very low	134 Å²	134	142.3 Å²	142.3	63%	0.626	75%	0.753	S	S	*	*			trans	-45.1	176.4	171.6	-56.7	165.5	134.6	0	0	118.4
453	K	27.9	Very low	28.8	Very low	172 Å²	172	147 Å²	147	75%	0.748	76%	0.76	S	S	*	*			cis	-162.5	-179.4	26.4	-140.5	143	-161.4	156.1	0	114.7
454	K	25.3	Very low	28.6	Very low	188 Å²	188	146.4 Å²	146.4	82%	0.817	75%	0.752	S	S	*	*			trans	-91.6	162.1	-178	-52.7	177.1	176.7	-175.2	0	114.6
455	M	25.8	Very low	28.4	Very low	159 Å²	159	147.3 Å²	147.3	78%	0.783	75%	0.754	S	S	*	*				166.2	127.2	111.8	-87.6	177.7	68.9	0	0	114.8
456	D	26	Very low	27.5	Very low	127 Å²	127	152.1 Å²	152.1	68%	0.679	76%	0.764	S	S	*	*				48.2	157.2	128	-43.7	-31.7	0	0	0	125.9
457	D	26.8	Very low	27.2	Very low	155 Å²	155	155.1 Å²	155.1	83%	0.829	78%	0.775	S	S	*	*			trans	76.4	101.3	160.5	-67.2	-18.5	0	0	0	125.4
458	M	26.5	Very low	26.9	Very low	149 Å²	149	154.1 Å²	154.1	73%	0.734	78%	0.777	S	S	*	*				54.2	123	111.5	-158.9	162.5	-179.5	0	0	124.2
459	E	26.6	Very low	26.7	Very low	156 Å²	156	160.1 Å²	160.1	73%	0.729	79%	0.788	S	S	*	*			trans	61.7	150.1	158.7	-71	178.3	-172.2	0	0	118.5
460	T	24.4	Very low	26.5	Very low	108 Å²	108	159.9 Å²	159.9	66%	0.663	79%	0.787	S	S	*	*			cis	-156.8	151.3	30.8	-25	0	0	0	0	112.9
461	Q	25.9	Very low	26.3	Very low	193 Å²	193	158.5 Å²	158.5	90%	0.902	79%	0.79	S	S	*	*			trans	33.7	130.2	152.2	-73.9	168.4	21.2	0	0	123.2
462	G	25.4	Very low	26.2	Very low	78 Å²	78	159.4 Å²	159.4	80%	0.804	80%	0.795	S	S	*	*			trans	-166.9	125.4	157.7	0	0	0	0	0	111.9
463	E	27.5	Very low	26.2	Very low	185 Å²	185	156.3 Å²	156.3	86%	0.864	80%	0.8	S	S	*	*			trans	-87.4	144.9	-170.8	-53.2	173.5	114.7	0	0	113.8
464	N	25.8	Very low	26.6	Very low	138 Å²	138	156.1 Å²	156.1	74%	0.738	80%	0.802	S	S	*	*				-173.3	148.2	120	-111.1	-87.1	0	0	0	115.3
465	K	27.6	Very low	27	Very low	187 Å²	187	153 Å²	153	81%	0.813	80%	0.803	S	S	*	*			trans	57.5	123.4	153.4	-73.5	169.8	-173.6	-178.7	0	121.2
466	K	30.1	Very low	27.4	Very low	198 Å²	198	147.6 Å²	147.6	86%	0.861	79%	0.789	S	S	*	*			trans	-63.9	137.8	156.8	-55.1	172.1	176.2	-176.1	0	110.8
467	E	25.2	Very low	28.4	Very low	192 Å²	192	145.7 Å²	145.7	90%	0.897	79%	0.785	S	S	*	*			trans	-121.2	159.1	135.9	-66.7	-170.6	147.6	0	0	106.9
468	C	24.8	Very low	29.3	Very low	121 Å²	121	139.2 Å²	139.2	82%	0.818	75%	0.754	S	S	*	*			trans	-88	137.6	-168.1	-67.4	0	0	0	0	111.9	E470	C468-E470 PolarHBondContact O-N 3.29Å
469	E	24	Very low	30.5	Very low	190 Å²	190	134.1 Å²	134.1	89%	0.888	74%	0.739	S	S	*	*			trans	-70.8	112.9	166.8	-66.3	168.9	138.9	0	0	108.5	E471	E469-E471 PolarHBondContact O-N 3.09Å
470	E	25.3	Very low	32	Very low	192 Å²	192	131.2 Å²	131.2	90%	0.897	74%	0.736	S	S	*	*			trans	-78.9	95.2	163.3	-68.5	-169.7	148.6	0	0	107.6	C468 D472	C468-E470 PolarHBondContact O-N 3.29Å; E470-D472 VanDerWaalsContact C-N 3.34Å; E470-D472 PolarHBondContact O-N 3.01Å
471	E	26.3	Very low	34.3	Very low	186 Å²	186	129 Å²	129	87%	0.869	72%	0.72	S	S	*	*			trans	-62.2	97.6	165.5	-73	-168.9	132.4	0	0	108.4	E469 G473	E469-E471 PolarHBondContact O-N 3.09Å; E471-G473 VanDerWaalsContact C-N 3.32Å; E471-G473 PolarHBondContact O-N 3.16Å
472	D	26	Very low	37	Very low	139 Å²	139	121.2 Å²	121.2	74%	0.743	68%	0.684	S	S	*	*			trans	-66.3	92.3	177.1	-173.7	21.4	0	0	0	109.5	E470 Q474	E470-D472 VanDerWaalsContact C-N 3.34Å; E470-D472 PolarHBondContact O-N 3.01Å; D472-Q474 VanDerWaalsContact C-N 3.26Å; D472-Q474 PolarHBondContact O-N 2.93Å
473	G	27.7	Very low	40	Very low	70 Å²	70	119.9 Å²	119.9	72%	0.722	66%	0.66	S	S	*	*			trans	-70	74.3	-167.8	0	0	0	0	0	112.8	E471 S475	E471-G473 VanDerWaalsContact C-N 3.32Å; E471-G473 PolarHBondContact O-N 3.16Å; G473-S475 PolarHBondContact O-N 3.44Å
474	Q	34.7	Very low	43.1	Very low	168 Å²	168	113.9 Å²	113.9	79%	0.785	63%	0.634	S	S	*	*			trans	-57.9	103.8	176.6	-69.9	-171.1	1.8	0	0	110.3	D472 G476	D472-Q474 VanDerWaalsContact C-N 3.26Å; D472-Q474 PolarHBondContact O-N 2.93Å; Q474-G476 VanDerWaalsContact C-N 3.25Å; Q474-G476 PolarHBondContact O-N 3.16Å
475	S	34.6	Very low	46.3	Very low	121 Å²	121	107.3 Å²	107.3	85%	0.846	60%	0.599	S	S	*	*			trans	-59.2	90.6	167.2	-177.8	0	0	0	0	108.6	G473 S477	G473-S475 PolarHBondContact O-N 3.44Å; S475-S477 PolarHBondContact O-N 2.81Å
476	G	34.3	Very low	49.5	Very low	47 Å²	47	100.9 Å²	100.9	49%	0.485	57%	0.573	S	S	.	*			trans	-59.8	108.5	-169.4	0	0	0	0	0	110.6	K231 Q474	K231-G476 PolarHBondContact NZ-O 2.84Å; Q474-G476 VanDerWaalsContact C-N 3.25Å; Q474-G476 PolarHBondContact O-N 3.16Å
477	S	46.1	Very low	52.7	Low	86 Å²	86	93.9 Å²	93.9	60%	0.601	55%	0.545	S	S	*	.			trans	-54.8	156.3	176.8	174.6	0	0	0	0	111.7	K231 S475 G479 S480	K231-S477 VanDerWaalsContact NZ-C 3.34Å; K231-S477 PolarHBondContact NZ-O 2.68Å; S475-S477 PolarHBondContact O-N 2.81Å; S477-G479 PolarHBondContact O-N 2.77Å; S477-G479 VanDerWaalsContact O-N 3.09Å; S477-G479 PolarHBondContact OG-N 2.87Å; S477-S480 PolarHBondContact O-N 3.16Å; S477-S480 PolarHBondContact O-OG 3.04Å
478	A	47.3	Very low	56	Low	20 Å²	20	87.9 Å²	87.9	17%	0.165	52%	0.523	C	S	.	.	G	3₁₀ helix	trans	-56.6	-21.7	169.9	0	0	0	0	0	112.7	Y228 K231 S480	Y228-A478 WeakPolarHBondContact CD2-O 3.34Å; Y228-A478 HydrophobicContact CE2-CB 4Å; Y228-A478 WeakPolarHBondContact CE2-O 3.1Å; K231-A478 HydrophobicContact CD-CB 4.49Å; A478-S480 PolarHBondContact O-N 2.87Å
479	G	49.8	Very low	59.3	Low	41 Å²	41	88.9 Å²	88.9	42%	0.423	52%	0.519	S	S	.	.	G	3₁₀ helix	trans	-60.9	-29.9	-179.5	0	0	0	0	0	116.1	S477 L481 L482	S477-G479 PolarHBondContact O-N 2.77Å; S477-G479 VanDerWaalsContact O-N 3.09Å; S477-G479 PolarHBondContact OG-N 2.87Å; G479-L481 PolarHBondContact O-N 3.24Å; G479-L482 PolarHBondContact O-N 3.26Å
480	S	58.3	Low	62.7	Low	95 Å²	95	80.7 Å²	80.7	66%	0.664	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-72.9	-13.2	-175	64.9	0	0	0	0	114.7	S477 A478	S477-S480 PolarHBondContact O-N 3.16Å; S477-S480 PolarHBondContact O-OG 3.04Å; A478-S480 PolarHBondContact O-N 2.87Å
481	L	73.2	Confident	66	Low	62 Å²	62	71.9 Å²	71.9	33%	0.325	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-94.4	-6.2	175.2	-62.1	179.1	0	0	0	113	N225 P227 Y228 K231 G479	N225-L481 PolarHBondContact ND2-O 2.86Å; P227-L481 HydrophobicContact CB-CD1 4.33Å; Y228-L481 HydrophobicContact CD2-CB 4.26Å; K231-L481 HydrophobicContact CB-CD1 4.35Å; K231-L481 HydrophobicContact CD-CD1 3.82Å; G479-L481 PolarHBondContact O-N 3.24Å
482	L	82.2	Confident	69.2	Low	29 Å²	29	69.2 Å²	69.2	15%	0.152	43%	0.434	C	S	.	.	S	Bend	trans	-84.8	134.9	174.1	-71.1	174.5	0	0	0	110.5	Y171 V224 Y228 G479 N484	Y171-L482 HydrophobicContact CD2-CD1 4.21Å; Y171-L482 HydrophobicContact CE2-CD1 3.73Å; V224-L482 HydrophobicContact CG1-CD2 3.57Å; Y228-L482 HydrophobicContact CD1-CD2 3.81Å; Y228-L482 HydrophobicContact CD2-CD2 3.83Å; Y228-L482 HydrophobicContact CD2-CG 3.79Å; Y228-L482 HydrophobicContact CE1-CD2 3.68Å; Y228-L482 HydrophobicContact CE1-CG 4.42Å; Y228-L482 HydrophobicContact CE2-CD1 3.83Å; Y228-L482 HydrophobicContact CE2-CD2 3.73Å; Y228-L482 HydrophobicContact CE2-CG 3.55Å; Y228-L482 HydrophobicContact CG-CD2 3.87Å; Y228-L482 HydrophobicContact CG-CG 4.34Å; G479-L482 PolarHBondContact O-N 3.26Å; L482-N484 PolarHBondContact O-N 3.18Å
483	V	88.6	Confident	72.5	Confident	51 Å²	51	68.4 Å²	68.4	31%	0.309	42%	0.423	S	S	.	.			trans	-67.6	115.7	169	-174.6	0	0	0	0	108.1	P485 N490 K493 L494	V483-P485 WeakPolarHBondContact O-CD 3.26Å; V483-N490 HydrophobicContact CG1-CB 3.69Å; V483-K493 HydrophobicContact CG1-CB 3.86Å; V483-L494 HydrophobicContact CB-CD2 4.45Å; V483-L494 HydrophobicContact CG1-CD2 3.72Å
484	N	92.4	Very high	75.7	Confident	59 Å²	59	65.1 Å²	65.1	32%	0.316	39%	0.389	S	S	.	.			trans	-84.3	113.9	-176.7	-178.8	10.3	0	0	0	110.7	W176 L482 L486 D487 N490	W176-N484 WeakPolarHBondContact CZ3-OD1 3.28Å; L482-N484 PolarHBondContact O-N 3.18Å; N484-L486 PolarHBondContact O-N 3.35Å; N484-L486 WeakPolarHBondContact OD1-CB 3.41Å; N484-L486 WeakPolarHBondContact OD1-CG 3.16Å; N484-L486 PolarHBondContact OD1-N 2.93Å; N484-D487 PolarHBondContact O-N 3.01Å; N484-N490 WeakPolarHBondContact O-CB 3.33Å; N484-N490 PolarHBondContact O-ND2 3.34Å
485	P	94.3	Very high	78.7	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-9.7	178.1	33	-37.7	0	0	0	113.9	W176 L185 P186 C189 L222 V483 D487 L494	W176-P485 HydrophobicContact CB-CG 4.03Å; W176-P485 HydrophobicContact CD2-CG 3.45Å; W176-P485 VanDerWaalsContact CD2-CG 3.45Å; W176-P485 HydrophobicContact CE3-CG 3.7Å; W176-P485 HydrophobicContact CG-CG 3.6Å; W176-P485 HydrophobicContact CZ2-CG 4.48Å; W176-P485 HydrophobicContact CZ3-CG 4.31Å; L185-P485 HydrophobicContact CD2-CB 4.07Å; L185-P485 HydrophobicContact CD2-CG 4.5Å; P186-P485 WeakPolarHBondContact CD-O 3.43Å; C189-P485 PolarHBondContact SG-O 3.13Å; L222-P485 HydrophobicContact CD1-CG 4.17Å; V483-P485 WeakPolarHBondContact O-CD 3.26Å; P485-D487 VanDerWaalsContact C-N 3.3Å; P485-L494 HydrophobicContact CB-CD1 3.87Å; P485-L494 HydrophobicContact CB-CD2 3.81Å
486	L	95.4	Very high	81.8	Confident	51 Å²	51	55 Å²	55	27%	0.267	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-11.9	175.3	-51.8	-175.1	0	0	0	112.9	W176 K179 L185 P186 N484	W176-L486 HydrophobicContact CE3-CD1 4.36Å; W176-L486 HydrophobicContact CE3-CG 4.16Å; K179-L486 HydrophobicContact CB-CD1 4.17Å; L185-L486 HydrophobicContact CG-CD2 4.06Å; P186-L486 WeakPolarHBondContact CG-O 3.14Å; N484-L486 PolarHBondContact O-N 3.35Å; N484-L486 WeakPolarHBondContact OD1-CB 3.41Å; N484-L486 WeakPolarHBondContact OD1-CG 3.16Å; N484-L486 PolarHBondContact OD1-N 2.93Å
487	D	95.7	Very high	84.8	Confident	51 Å²	51	53.5 Å²	53.5	27%	0.273	31%	0.309	S	S	.	.	S	Bend	trans	-97.6	117.8	172.4	161.1	23.9	0	0	0	109.4	N484 P485 L489 N490	N484-D487 PolarHBondContact O-N 3.01Å; P485-D487 VanDerWaalsContact C-N 3.3Å; D487-L489 PolarHBondContact O-N 3.2Å; D487-L489 VanDerWaalsContact OD1-CB 3.29Å; D487-L489 WeakPolarHBondContact OD1-CB 3.41Å; D487-L489 PolarHBondContact OD1-N 3.26Å; D487-N490 WeakPolarHBondContact CB-ND2 3.32Å; D487-N490 WeakPolarHBondContact O-CB 3.27Å; D487-N490 PolarHBondContact O-N 3.28Å; D487-N490 VanDerWaalsContact O-N 3.11Å; D487-N490 PolarHBondContact OD2-ND2 3.45Å
488	P	94.8	Very high	87.3	Confident	67 Å²	67	49.4 Å²	49.4	44%	0.435	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-62.4	-24.2	-177.9	26	-34.4	0	0	0	113.5	P186 P188 N490 A491	P186-P488 HydrophobicContact CB-CB 3.94Å; P186-P488 HydrophobicContact CG-CB 4.47Å; P188-P488 HydrophobicContact CG-CB 4.5Å; P488-N490 PolarHBondContact O-N 3.48Å; P488-N490 VanDerWaalsContact O-N 3.12Å; P488-A491 WeakPolarHBondContact O-CB 3.32Å; P488-A491 PolarHBondContact O-N 3.09Å
489	L	95.1	Very high	89.7	Confident	141 Å²	141	48.9 Å²	48.9	74%	0.738	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-70.9	-3.1	177.9	-56.3	177.7	0	0	0	113	D487 K493	D487-L489 PolarHBondContact O-N 3.2Å; D487-L489 VanDerWaalsContact OD1-CB 3.29Å; D487-L489 WeakPolarHBondContact OD1-CB 3.41Å; D487-L489 PolarHBondContact OD1-N 3.26Å; L489-K493 PolarHBondContact O-NZ 3.45Å
490	N	95.3	Very high	91.8	Very high	18 Å²	18	49.9 Å²	49.9	10%	0.096	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-100.1	-2.9	175.7	-65.6	-39.8	0	0	0	114.1	V483 N484 D487 P488 D492 K493 L494	V483-N490 HydrophobicContact CG1-CB 3.69Å; N484-N490 WeakPolarHBondContact O-CB 3.33Å; N484-N490 PolarHBondContact O-ND2 3.34Å; D487-N490 WeakPolarHBondContact CB-ND2 3.32Å; D487-N490 WeakPolarHBondContact O-CB 3.27Å; D487-N490 PolarHBondContact O-N 3.28Å; D487-N490 VanDerWaalsContact O-N 3.11Å; D487-N490 PolarHBondContact OD2-ND2 3.45Å; P488-N490 PolarHBondContact O-N 3.48Å; P488-N490 VanDerWaalsContact O-N 3.12Å; N490-D492 VanDerWaalsContact C-N 3.33Å; N490-D492 PolarHBondContact O-N 3.27Å; N490-D492 VanDerWaalsContact O-N 3.15Å; N490-K493 HydrophobicContact CB-CD 4.48Å; N490-K493 CarbonylContact O-C 3.58Å; N490-K493 WeakPolarHBondContact O-CA 3.45Å; N490-K493 VanDerWaalsContact O-CB 3.31Å; N490-K493 WeakPolarHBondContact O-CB 3.48Å; N490-K493 PolarHBondContact O-N 3.48Å; N490-K493 WeakPolarHBondContact OD1-CD 3.4Å; N490-K493 PolarHBondContact OD1-NZ 3.49Å; N490-L494 WeakPolarHBondContact O-CG 3.43Å; N490-L494 PolarHBondContact O-N 2.95Å
491	A	94.6	Very high	93.6	Very high	8 Å²	8	45.4 Å²	45.4	7%	0.066	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.7	-45.4	-172.9	0	0	0	0	0	115	P188 S192 P488 L494	P188-A491 HydrophobicContact CB-CB 3.7Å; S192-A491 WeakPolarHBondContact CB-O 3.44Å; S192-A491 PolarHBondContact OG-O 3.16Å; P488-A491 WeakPolarHBondContact O-CB 3.32Å; P488-A491 PolarHBondContact O-N 3.09Å; A491-L494 PolarHBondContact O-N 2.78Å
492	D	93.4	Very high	94.5	Very high	130 Å²	130	43.4 Å²	43.4	70%	0.695	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80	-17.3	178.4	-61.6	-49.1	0	0	0	113.7	R195 N490	R195-D492 IonicContact NH2-OD1 3.44Å; N490-D492 VanDerWaalsContact C-N 3.33Å; N490-D492 PolarHBondContact O-N 3.27Å; N490-D492 VanDerWaalsContact O-N 3.15Å
493	K	94.6	Very high	95.2	Very high	121 Å²	121	46.2 Å²	46.2	53%	0.526	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-20.1	173	-48.6	176.1	-166.2	127.4	0	111.7	V483 L489 N490 Q495	V483-K493 HydrophobicContact CG1-CB 3.86Å; L489-K493 PolarHBondContact O-NZ 3.45Å; N490-K493 HydrophobicContact CB-CD 4.48Å; N490-K493 CarbonylContact O-C 3.58Å; N490-K493 WeakPolarHBondContact O-CA 3.45Å; N490-K493 VanDerWaalsContact O-CB 3.31Å; N490-K493 WeakPolarHBondContact O-CB 3.48Å; N490-K493 PolarHBondContact O-N 3.48Å; N490-K493 WeakPolarHBondContact OD1-CD 3.4Å; N490-K493 PolarHBondContact OD1-NZ 3.49Å; K493-Q495 PolarHBondContact O-N 3.29Å
494	L	95.7	Very high	95.6	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	24%	0.235	C	C	.	.			trans	-67.1	125.4	176.2	-64.2	-179.3	0	0	0	110.4	C189 I193 Q196 L222 V483 P485 N490 A491	C189-L494 HydrophobicContact CB-CD1 3.6Å; I193-L494 HydrophobicContact CD1-CD1 4.17Å; I193-L494 HydrophobicContact CG1-CD1 4.23Å; Q196-L494 PolarHBondContact NE2-O 3.01Å; L222-L494 HydrophobicContact CD2-CB 4.47Å; L222-L494 HydrophobicContact CD2-CD2 3.87Å; V483-L494 HydrophobicContact CB-CD2 4.45Å; V483-L494 HydrophobicContact CG1-CD2 3.72Å; P485-L494 HydrophobicContact CB-CD1 3.87Å; P485-L494 HydrophobicContact CB-CD2 3.81Å; N490-L494 WeakPolarHBondContact O-CG 3.43Å; N490-L494 PolarHBondContact O-N 2.95Å; A491-L494 PolarHBondContact O-N 2.78Å
495	Q	97.5	Very high	95.9	Very high	77 Å²	77	41.1 Å²	41.1	36%	0.36	22%	0.22	S	C	.	.			trans	-126.1	128.4	172	-62.7	-65.8	-51.3	0	0	108	L222 T223 K493	L222-Q495 WeakPolarHBondContact CA-O 3.23Å; T223-Q495 HydrophobicContact CG2-CB 3.96Å; T223-Q495 PolarHBondContact N-O 3.2Å; T223-Q495 WeakPolarHBondContact OG1-CB 3.49Å; K493-Q495 PolarHBondContact O-N 3.29Å
496	V	98.4	Very high	96.1	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	153.4	-179.6	-67.5	0	0	0	0	111.7	I193 Q196 I220 L221 L222	I193-V496 HydrophobicContact CG1-CG1 4.2Å; I193-V496 HydrophobicContact CG2-CG2 4.45Å; Q196-V496 HydrophobicContact CB-CG2 3.49Å; Q196-V496 VanDerWaalsContact CB-CG2 3.49Å; Q196-V496 HydrophobicContact CG-CG2 4.38Å; Q196-V496 VanDerWaalsContact OE1-N 3.14Å; I220-V496 HydrophobicContact CG2-CB 3.87Å; I220-V496 HydrophobicContact CG2-CG1 4.17Å; I220-V496 HydrophobicContact CG2-CG2 4.24Å; L221-V496 CarbonylContact O-C 3.54Å; L221-V496 VanDerWaalsContact O-CA 3.26Å; L221-V496 WeakPolarHBondContact O-CA 3.29Å; L222-V496 HydrophobicContact CD2-CG1 3.57Å; L222-V496 HydrophobicContact CG-CG1 3.95Å
497	K	98.8	Very high	96.2	Very high	14 Å²	14	43.9 Å²	43.9	6%	0.061	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	143	170.8	-59.3	-161.8	177.4	-157.2	0	111	E143 K144 E167 L169 L221 T223	E143-K497 WeakPolarHBondContact O-CD 3.07Å; E143-K497 WeakPolarHBondContact O-CE 3.49Å; E143-K497 WeakPolarHBondContact O-CG 3.49Å; E143-K497 PolarHBondContact O-NZ 2.86Å; E143-K497 IonicContact OE2-NZ 2.68Å; E143-K497 PolarHBondContact OE2-NZ 3.49Å; K144-K497 CarbonylContact O-C 3.49Å; K144-K497 WeakPolarHBondContact O-CA 3.26Å; E167-K497 WeakPolarHBondContact OE1-CD 3.39Å; E167-K497 IonicContact OE1-NZ 3.68Å; E167-K497 PolarHBondContact OE1-NZ 2.81Å; E167-K497 WeakPolarHBondContact OE2-CE 3.14Å; E167-K497 IonicContact OE2-NZ 2.78Å; E167-K497 PolarHBondContact OE2-NZ 3.32Å; L169-K497 HydrophobicContact CD1-CB 4.24Å; L169-K497 HydrophobicContact CD2-CD 4.29Å; L169-K497 HydrophobicContact CD2-CG 4.45Å; L221-K497 PolarHBondContact N-O 3.42Å; L221-K497 PolarHBondContact O-N 3.43Å; T223-K497 HydrophobicContact CG2-CG 4.26Å
498	I	98.8	Very high	96.3	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	132.9	166.4	-55.8	174.7	0	0	0	108.5	K144 V146 V197 L201 L204 H212 I215 I220	K144-I498 PolarHBondContact O-N 2.89Å; V146-I498 PolarHBondContact N-O 2.76Å; V197-I498 HydrophobicContact CG1-CD1 4.36Å; V197-I498 HydrophobicContact CG1-CG1 4.47Å; L201-I498 HydrophobicContact CD2-CD1 4.01Å; L201-I498 HydrophobicContact CG-CD1 3.94Å; L204-I498 HydrophobicContact CD1-CD1 4.27Å; H212-I498 VanDerWaalsContact CD2-CG2 3.48Å; H212-I498 WeakPolarHBondContact CD2-CG2 3.5Å; I215-I498 HydrophobicContact CD1-CD1 4.29Å; I215-I498 HydrophobicContact CD1-CG2 3.91Å; I220-I498 HydrophobicContact CD1-CB 4.34Å; I220-I498 HydrophobicContact CD1-CG1 3.9Å; I220-I498 HydrophobicContact CD1-CG2 4.45Å
499	A	96.7	Very high	96.4	Very high	8 Å²	8	50.2 Å²	50.2	7%	0.066	25%	0.254	C	S	.	.			trans	-128.9	178.3	-179.1	0	0	0	0	0	112.4	V146 H212 N219 L221	V146-A499 HydrophobicContact CB-CB 4.48Å; V146-A499 HydrophobicContact CG1-CB 4.28Å; H212-A499 PolarHBondContact NE2-O 2.97Å; N219-A499 PolarHBondContact O-N 2.83Å; L221-A499 HydrophobicContact CD1-CB 3.62Å; L221-A499 HydrophobicContact CG-CB 3.77Å
500	D	93.8	Very high	96.5	Very high	63 Å²	63	46.9 Å²	46.9	34%	0.337	23%	0.234	S	C	.	.			trans	45.1	77.8	-177.6	-152	26.6	0	0	0	115.8	K110 H212 G502	K110-D500 IonicContact NZ-OD1 3.78Å; K110-D500 PolarHBondContact NZ-OD1 2.73Å; H212-D500 VanDerWaalsContact NE2-C 3.26Å; H212-D500 PolarHBondContact NE2-O 3.08Å; D500-G502 PolarHBondContact O-N 3.1Å; D500-G502 VanDerWaalsContact O-N 3.16Å
501	L	96.1	Very high	96.4	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.005	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-78.3	16.4	174.5	-82.3	70.6	0	0	0	112.7	L128 L129 V132 V145 L204 N503 A504	L128-L501 HydrophobicContact CB-CD2 4.44Å; L129-L501 HydrophobicContact CD2-CB 4.48Å; L129-L501 HydrophobicContact CD2-CD1 4.4Å; L129-L501 HydrophobicContact CD2-CD2 4.26Å; V132-L501 HydrophobicContact CG2-CD2 3.85Å; V145-L501 HydrophobicContact CG1-CD1 4.1Å; L204-L501 HydrophobicContact CD2-CD2 4.47Å; L501-N503 VanDerWaalsContact C-N 3.26Å; L501-N503 PolarHBondContact O-N 3.12Å; L501-A504 HydrophobicContact CB-CB 3.96Å; L501-A504 HydrophobicContact CG-CB 4.1Å; L501-A504 WeakPolarHBondContact O-CB 3.41Å; L501-A504 PolarHBondContact O-N 3.27Å
502	G	93.2	Very high	96.5	Very high	19 Å²	19	53.3 Å²	53.3	20%	0.196	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-63	-27.6	-177.3	0	0	0	0	0	114.7	D500	D500-G502 PolarHBondContact O-N 3.1Å; D500-G502 VanDerWaalsContact O-N 3.16Å
503	N	95.3	Very high	96.6	Very high	89 Å²	89	51.6 Å²	51.6	48%	0.476	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-97.1	-7.7	173.7	-65.8	-32.6	0	0	0	113.2	T213 D214 L501	T213-N503 PolarHBondContact OG1-O 3.28Å; D214-N503 HydrophobicContact CB-CB 4.31Å; D214-N503 PolarHBondContact OD2-ND2 3.18Å; L501-N503 VanDerWaalsContact C-N 3.26Å; L501-N503 PolarHBondContact O-N 3.12Å
504	A	98	Very high	96.8	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.008	26%	0.258	C	S	.	.			trans	-69.3	152.9	-173	0	0	0	0	0	111.7	L128 I210 I211 H212 L501 F511	L128-A504 HydrophobicContact CD1-CB 4.2Å; L128-A504 WeakPolarHBondContact CD1-O 3.42Å; I210-A504 HydrophobicContact CG2-CB 4.1Å; I211-A504 VanDerWaalsContact O-CA 3.31Å; I211-A504 WeakPolarHBondContact O-CA 3.47Å; I211-A504 WeakPolarHBondContact O-CB 3.37Å; H212-A504 WeakPolarHBondContact O-CA 3.31Å; L501-A504 HydrophobicContact CB-CB 3.96Å; L501-A504 HydrophobicContact CG-CB 4.1Å; L501-A504 WeakPolarHBondContact O-CB 3.41Å; L501-A504 PolarHBondContact O-N 3.27Å; A504-F511 WeakPolarHBondContact O-CD2 3.37Å; A504-F511 WeakPolarHBondContact O-CE2 3.32Å
505	C	98.3	Very high	96.9	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.007	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	173.2	-179.7	72.1	0	0	0	0	112	I210 I211 F511 Y531	I210-C505 CarbonylContact C-O 3.48Å; I210-C505 WeakPolarHBondContact CA-O 3.28Å; I211-C505 PolarHBondContact N-O 3.1Å; I211-C505 PolarHBondContact O-N 2.64Å; C505-F511 HydrophobicContact CB-CD2 3.59Å; C505-F511 HydrophobicContact CB-CE2 4.02Å; C505-F511 HydrophobicContact CB-CG 4.41Å; C505-Y531 PolarHBondContact SG-OH 2.9Å
506	W	98.5	Very high	96.9	Very high	55 Å²	55	47.9 Å²	47.9	21%	0.208	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	144.6	177	-57.6	86.2	0	0	0	110.4	L128 S131 C208 K209 I210 H508 K509 H510	L128-W506 HydrophobicContact CD2-CD2 4.04Å; L128-W506 HydrophobicContact CD2-CG 4.22Å; L128-W506 HydrophobicContact CD2-CZ2 4.17Å; S131-W506 VanDerWaalsContact CB-CH2 3.41Å; S131-W506 WeakPolarHBondContact OG-CH2 3.46Å; S131-W506 WeakPolarHBondContact OG-CZ3 3.09Å; C208-W506 WeakPolarHBondContact O-CZ3 3.43Å; K209-W506 WeakPolarHBondContact O-CA 3.29Å; I210-W506 HydrophobicContact CG1-CD2 4.41Å; I210-W506 HydrophobicContact CG1-CE3 4Å; I210-W506 HydrophobicContact CG1-CZ3 4.27Å; W506-H508 AromaticContact CE3-CE1 3.86Å; W506-H508 PolarHBondContact O-N 3.32Å; W506-K509 HydrophobicContact CB-CB 4.19Å; W506-K509 PolarHBondContact N-O 3.15Å; W506-K509 VanDerWaalsContact N-O 3.13Å; W506-K509 CarbonylContact O-C 3.58Å; W506-K509 PolarHBondContact O-N 2.77Å; W506-K509 VanDerWaalsContact O-O 3.09Å; W506-H510 PolarHBondContact O-CD2 3.42Å
507	V	97.9	Very high	96.9	Very high	55 Å²	55	49.7 Å²	49.7	33%	0.333	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-20.3	176	176.1	0	0	0	0	112.9	K209 I211 T533	K209-V507 HydrophobicContact CB-CB 4.48Å; K209-V507 HydrophobicContact CB-CG2 4.47Å; K209-V507 WeakPolarHBondContact O-CG2 3.48Å; K209-V507 PolarHBondContact O-N 3.12Å; I211-V507 HydrophobicContact CD1-CG2 4.07Å; I211-V507 HydrophobicContact CG1-CG2 3.64Å; V507-T533 HydrophobicContact CG2-CG2 3.67Å
508	H	96.8	Very high	96.9	Very high	146 Å²	146	51.6 Å²	51.6	68%	0.676	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	1.1	177.2	66.2	-90.2	0	0	0	113.9	W506	W506-H508 AromaticContact CE3-CE1 3.86Å; W506-H508 PolarHBondContact O-N 3.32Å
509	K	96.9	Very high	96.9	Very high	105 Å²	105	53.3 Å²	53.3	46%	0.457	27%	0.271	S	S	.	.	B	Isolated β-bridge	trans	-153.2	94.6	177.2	-172.4	-162.8	172.1	-166.2	0	109.9	W506 F511	W506-K509 HydrophobicContact CB-CB 4.19Å; W506-K509 PolarHBondContact N-O 3.15Å; W506-K509 VanDerWaalsContact N-O 3.13Å; W506-K509 CarbonylContact O-C 3.58Å; W506-K509 PolarHBondContact O-N 2.77Å; W506-K509 VanDerWaalsContact O-O 3.09Å; K509-F511 HydrophobicContact CD-CE1 4.37Å
510	H	97.3	Very high	97	Very high	70 Å²	70	53.1 Å²	53.1	32%	0.324	27%	0.269	S	S	.	.			trans	-75	157.3	169.7	-61.7	178.6	0	0	0	110.9	W506 Y531	W506-H510 PolarHBondContact O-CD2 3.42Å; H510-Y531 HydrophobicContact CB-CE1 4.45Å; H510-Y531 WeakPolarHBondContact CB-OH 3.41Å; H510-Y531 AromaticContact CD2-CE2 3.98Å; H510-Y531 AromaticContact CD2-CZ 3.83Å; H510-Y531 AromaticContact CE1-CD2 3.96Å; H510-Y531 AromaticContact CE1-CE1 3.8Å; H510-Y531 AromaticContact CE1-CE2 3.7Å; H510-Y531 AromaticContact CE1-CZ 3.62Å; H510-Y531 PolarHBondContact CE1-O 3.37Å; H510-Y531 AromaticContact CG-CE1 3.96Å; H510-Y531 AromaticContact CG-CZ 3.52Å; H510-Y531 VanDerWaalsContact CG-OH 3.24Å; H510-Y531 AromaticContact ND1-CE1 3.4Å; H510-Y531 WeakPolarHBondContact ND1-CE1 3.04Å; H510-Y531 AromaticContact ND1-CE2 3.95Å; H510-Y531 AromaticContact ND1-CZ 3.37Å; H510-Y531 AromaticContact NE2-CE2 3.73Å; H510-Y531 AromaticContact NE2-CZ 3.92Å
511	F	94.6	Very high	97.2	Very high	89 Å²	89	51.9 Å²	51.9	39%	0.39	26%	0.259	S	S	.	.	S	Bend	trans	-108.7	-29.3	176.3	-65.6	-60.2	0	0	0	113.1	D124 L128 A504 C505 K509	D124-F511 HydrophobicContact CB-CZ 3.93Å; D124-F511 WeakPolarHBondContact OD2-CE1 3.49Å; D124-F511 VanDerWaalsContact OD2-CZ 3.28Å; D124-F511 WeakPolarHBondContact OD2-CZ 3.18Å; L128-F511 HydrophobicContact CD1-CE2 4.33Å; A504-F511 WeakPolarHBondContact O-CD2 3.37Å; A504-F511 WeakPolarHBondContact O-CE2 3.32Å; C505-F511 HydrophobicContact CB-CD2 3.59Å; C505-F511 HydrophobicContact CB-CE2 4.02Å; C505-F511 HydrophobicContact CB-CG 4.41Å; K509-F511 HydrophobicContact CD-CE1 4.37Å
512	T	96.3	Very high	97.3	Very high	72 Å²	72	51.8 Å²	51.8	44%	0.442	26%	0.259	S	S	.	.			trans	-155.7	155	-179	176.4	0	0	0	0	109.2	D514 I515 Y531	T512-D514 VanDerWaalsContact CG2-O 3.3Å; T512-D514 WeakPolarHBondContact CG2-O 3.39Å; T512-D514 PolarHBondContact OG1-N 3.31Å; T512-D514 VanDerWaalsContact OG1-N 3.08Å; T512-I515 HydrophobicContact CG2-CG2 3.91Å; T512-Y531 WeakPolarHBondContact O-CE1 3.48Å; T512-Y531 PolarHBondContact O-OH 2.74Å
513	D	96.1	Very high	97.6	Very high	95 Å²	95	50.9 Å²	50.9	51%	0.508	25%	0.249	S	C	.	.	S	Bend	trans	-87.3	-19.5	168.9	-72.1	-28.8	0	0	0	112.3	I515	D513-I515 PolarHBondContact O-N 2.88Å
514	D	97.1	Very high	97.8	Very high	104 Å²	104	46.7 Å²	46.7	56%	0.556	23%	0.227	S	C	*	.			trans	-88.2	99.5	175.5	-174.2	29.7	0	0	0	109.6	T512 R521	T512-D514 VanDerWaalsContact CG2-O 3.3Å; T512-D514 WeakPolarHBondContact CG2-O 3.39Å; T512-D514 PolarHBondContact OG1-N 3.31Å; T512-D514 VanDerWaalsContact OG1-N 3.08Å; D514-R521 IonicContact OD1-CZ 2.8Å; D514-R521 IonicContact OD1-NH1 2.77Å; D514-R521 PolarHBondContact OD1-NH1 3.07Å; D514-R521 IonicContact OD1-NH2 3.73Å; D514-R521 PolarHBondContact OD1-NH2 3.16Å
515	I	98.3	Very high	97.8	Very high	8 Å²	8	47.3 Å²	47.3	4%	0.041	23%	0.231	C	C	.	.			trans	-130	172.2	-177.9	62.8	160.6	0	0	0	111.8	T213 T512 D513 R521 V525 Y531	T213-I515 HydrophobicContact CG2-CD1 4.28Å; T213-I515 HydrophobicContact CG2-CG2 4.35Å; T512-I515 HydrophobicContact CG2-CG2 3.91Å; D513-I515 PolarHBondContact O-N 2.88Å; I515-R521 PolarHBondContact O-NE 3.08Å; I515-R521 PolarHBondContact O-NH2 3.2Å; I515-V525 HydrophobicContact CD1-CG2 3.84Å; I515-V525 HydrophobicContact CG1-CG1 3.9Å; I515-V525 HydrophobicContact CG1-CG2 3.75Å; I515-Y531 HydrophobicContact CD1-CD1 3.83Å; I515-Y531 HydrophobicContact CD1-CD2 3.52Å; I515-Y531 HydrophobicContact CD1-CE1 4.02Å; I515-Y531 HydrophobicContact CD1-CE2 3.72Å; I515-Y531 HydrophobicContact CD1-CG 3.58Å; I515-Y531 HydrophobicContact CG1-CD1 4.37Å; I515-Y531 HydrophobicContact CG1-CE1 4.44Å; I515-Y531 HydrophobicContact CG2-CE1 4.3Å
516	Q	98.5	Very high	97.8	Very high	8 Å²	8	47.6 Å²	47.6	4%	0.037	23%	0.232	C	C	.	.	S	Bend	trans	62.3	131.1	-179.5	-57.4	160.8	-52.6	0	0	114.8	T213 Y520 R521 S522 A535 S539	T213-Q516 WeakPolarHBondContact O-CA 3.4Å; T213-Q516 WeakPolarHBondContact O-CG 3.48Å; T213-Q516 PolarHBondContact O-N 2.78Å; Q516-Y520 PolarHBondContact NE2-O 2.96Å; Q516-R521 HydrophobicContact CB-CB 3.94Å; Q516-R521 HydrophobicContact CB-CG 4.17Å; Q516-R521 PolarHBondContact O-NE 3.15Å; Q516-R521 PolarHBondContact O-NH2 3.44Å; Q516-S522 PolarHBondContact NE2-OG 2.98Å; Q516-S522 PolarHBondContact OE1-OG 3Å; Q516-A535 PolarHBondContact NE2-O 3.34Å; Q516-S539 PolarHBondContact NE2-OG 2.86Å
517	T	97.7	Very high	97.8	Very high	40 Å²	40	45 Å²	45	25%	0.245	22%	0.222	C	C	.	.			trans	-56.6	141.3	165.3	-64	0	0	0	0	110.6	D214 K216 Q519 Y520 R521	D214-T517 VanDerWaalsContact OD1-CB 3.27Å; D214-T517 WeakPolarHBondContact OD1-CB 3.44Å; D214-T517 PolarHBondContact OD1-N 2.74Å; D214-T517 PolarHBondContact OD1-OG1 3.21Å; K216-T517 HydrophobicContact CD-CG2 4.22Å; K216-T517 WeakPolarHBondContact CD-OG1 3.46Å; K216-T517 PolarHBondContact NZ-OG1 3.4Å; T517-Q519 PolarHBondContact O-N 3.15Å; T517-Q519 VanDerWaalsContact O-N 3.13Å; T517-Y520 HydrophobicContact CG2-CD2 3.91Å; T517-Y520 HydrophobicContact CG2-CE2 3.82Å; T517-Y520 PolarHBondContact O-N 2.62Å; T517-R521 PolarHBondContact O-N 2.88Å
518	R	98.3	Very high	97.8	Very high	53 Å²	53	43.3 Å²	43.3	20%	0.2	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-46.7	-48.1	-161.3	170	53.6	57.6	171.4	-4.2	115.2	Y520 R521 P556 D565 H568	R518-Y520 VanDerWaalsContact C-N 3.28Å; R518-Y520 PolarHBondContact O-N 3.22Å; R518-R521 WeakPolarHBondContact O-CB 3.31Å; R518-R521 PolarHBondContact O-N 3.43Å; R518-P556 HydrophobicContact CG-CG 4.2Å; R518-D565 IonicContact CZ-OD1 3.66Å; R518-D565 IonicContact NH1-OD1 3.34Å; R518-D565 PolarHBondContact NH1-OD1 3.24Å; R518-D565 IonicContact NH2-OD1 2.74Å; R518-D565 PolarHBondContact NH2-OD1 2.91Å; R518-D565 IonicContact NH2-OD2 3.51Å; R518-H568 PolarHBondContact O-CE1 2.92Å
519	Q	98.6	Very high	97.9	Very high	38 Å²	38	37.8 Å²	37.8	18%	0.178	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-75	-15	-175.2	-66	86.9	-24.7	0	0	113.9	T517 Y552 F554	T517-Q519 PolarHBondContact O-N 3.15Å; T517-Q519 VanDerWaalsContact O-N 3.13Å; Q519-Y552 HydrophobicContact CB-CD1 3.86Å; Q519-Y552 HydrophobicContact CB-CE1 4.32Å; Q519-Y552 HydrophobicContact CB-CG 4.06Å; Q519-Y552 HydrophobicContact CG-CD1 3.88Å; Q519-Y552 HydrophobicContact CG-CD2 3.86Å; Q519-Y552 HydrophobicContact CG-CE1 4.2Å; Q519-Y552 HydrophobicContact CG-CE2 4.17Å; Q519-Y552 HydrophobicContact CG-CG 3.7Å; Q519-F554 WeakPolarHBondContact CG-O 3.45Å
520	Y	98.8	Very high	97.9	Very high	4 Å²	4	35 Å²	35	2%	0.016	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-109.7	4.8	-178.7	-40.4	-88.6	0	0	0	111.9	K216 P217 Q516 T517 R518 S539 C542 M543 E546	K216-Y520 HydrophobicContact CB-CD1 4.33Å; K216-Y520 HydrophobicContact CB-CD2 3.85Å; K216-Y520 HydrophobicContact CB-CE1 4.06Å; K216-Y520 HydrophobicContact CB-CE2 3.54Å; K216-Y520 HydrophobicContact CB-CG 4.23Å; K216-Y520 HydrophobicContact CD-CE2 4.39Å; P217-Y520 WeakPolarHBondContact CD-OH 3.21Å; Q516-Y520 PolarHBondContact NE2-O 2.96Å; T517-Y520 HydrophobicContact CG2-CD2 3.91Å; T517-Y520 HydrophobicContact CG2-CE2 3.82Å; T517-Y520 PolarHBondContact O-N 2.62Å; R518-Y520 VanDerWaalsContact C-N 3.28Å; R518-Y520 PolarHBondContact O-N 3.22Å; Y520-S539 PolarHBondContact O-OG 3.16Å; Y520-C542 HydrophobicContact CD1-CB 4Å; Y520-M543 HydrophobicContact CD1-CB 4.37Å; Y520-M543 HydrophobicContact CE1-CB 4.33Å; Y520-E546 VanDerWaalsContact CE1-OE2 3.26Å; Y520-E546 WeakPolarHBondContact CE1-OE2 3.39Å; Y520-E546 PolarHBondContact OH-OE2 3.4Å
521	R	98.9	Very high	98	Very high	36 Å²	36	32.6 Å²	32.6	14%	0.136	19%	0.185	C	C	.	.			trans	-76.8	130.9	-174.2	-173.2	174.6	-69.5	-154.2	-9.3	111.4	D514 I515 Q516 T517 R518 V525 L526 W538 H568	D514-R521 IonicContact OD1-CZ 2.8Å; D514-R521 IonicContact OD1-NH1 2.77Å; D514-R521 PolarHBondContact OD1-NH1 3.07Å; D514-R521 IonicContact OD1-NH2 3.73Å; D514-R521 PolarHBondContact OD1-NH2 3.16Å; I515-R521 PolarHBondContact O-NE 3.08Å; I515-R521 PolarHBondContact O-NH2 3.2Å; Q516-R521 HydrophobicContact CB-CB 3.94Å; Q516-R521 HydrophobicContact CB-CG 4.17Å; Q516-R521 PolarHBondContact O-NE 3.15Å; Q516-R521 PolarHBondContact O-NH2 3.44Å; T517-R521 PolarHBondContact O-N 2.88Å; R518-R521 WeakPolarHBondContact O-CB 3.31Å; R518-R521 PolarHBondContact O-N 3.43Å; R521-V525 HydrophobicContact CG-CB 4.07Å; R521-V525 HydrophobicContact CG-CG1 3.87Å; R521-L526 HydrophobicContact CG-CD2 3.98Å; R521-L526 HydrophobicContact CG-CG 4.25Å; R521-W538 PolarHBondContact O-NE1 2.89Å; R521-H568 PolarHBondContact O-CE1 3.43Å
522	S	98.9	Very high	98.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.181	C	C	.	.			trans	-86.3	156.3	-174.2	60.9	0	0	0	0	113.5	Q516 E524 V525 L526 W538	Q516-S522 PolarHBondContact NE2-OG 2.98Å; Q516-S522 PolarHBondContact OE1-OG 3Å; S522-E524 VanDerWaalsContact C-N 3.3Å; S522-E524 WeakPolarHBondContact CB-OE1 3.47Å; S522-E524 PolarHBondContact O-N 3.35Å; S522-E524 PolarHBondContact OG-OE1 3.03Å; S522-V525 WeakPolarHBondContact O-CB 3.45Å; S522-V525 PolarHBondContact O-N 3.27Å; S522-L526 PolarHBondContact O-N 3.23Å; S522-L526 VanDerWaalsContact O-N 3.08Å; S522-W538 VanDerWaalsContact CB-CG 3.43Å
523	L	98.8	Very high	98.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-57.7	-40.9	-174.4	-179.7	61.6	0	0	0	112.9	V525 L526 I527 I569 I572 V579 L583 L639	L523-V525 PolarHBondContact O-N 3.34Å; L523-L526 PolarHBondContact O-N 2.89Å; L523-I527 HydrophobicContact CD1-CG2 4.04Å; L523-I527 WeakPolarHBondContact O-CG1 3.41Å; L523-I527 PolarHBondContact O-N 3.38Å; L523-I527 VanDerWaalsContact O-N 3.1Å; L523-I569 HydrophobicContact CD1-CG1 3.94Å; L523-I569 HydrophobicContact CD1-CG2 4.31Å; L523-I572 HydrophobicContact CB-CD1 4.35Å; L523-I572 HydrophobicContact CD1-CD1 4.32Å; L523-I572 HydrophobicContact CD2-CG2 4.27Å; L523-V579 HydrophobicContact CD1-CG2 4.43Å; L523-V579 HydrophobicContact CD2-CB 4.4Å; L523-V579 HydrophobicContact CD2-CG1 3.83Å; L523-V579 HydrophobicContact CD2-CG2 3.74Å; L523-L583 HydrophobicContact CD2-CD2 3.95Å; L523-L583 HydrophobicContact CG-CD2 4.44Å; L523-L639 HydrophobicContact CD2-CB 4.19Å; L523-L639 HydrophobicContact CD2-CD1 4.5Å; L523-L639 HydrophobicContact CD2-CD2 4.01Å; L523-L639 HydrophobicContact CD2-CG 4.46Å
524	E	98.8	Very high	98.4	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-64.4	-27.2	178.7	66.1	-79.7	-179	0	0	113.4	S522 G528 A529 G530 P641 R644	S522-E524 VanDerWaalsContact C-N 3.3Å; S522-E524 WeakPolarHBondContact CB-OE1 3.47Å; S522-E524 PolarHBondContact O-N 3.35Å; S522-E524 PolarHBondContact OG-OE1 3.03Å; E524-G528 PolarHBondContact O-N 2.81Å; E524-A529 HydrophobicContact CB-CB 4.34Å; E524-A529 PolarHBondContact O-N 2.69Å; E524-G530 WeakPolarHBondContact CB-O 3.41Å; E524-G530 WeakPolarHBondContact CG-O 3.47Å; E524-P641 HydrophobicContact CB-CG 3.86Å; E524-P641 HydrophobicContact CG-CG 3.75Å; E524-R644 IonicContact OE1-CZ 2.69Å; E524-R644 IonicContact OE1-NH1 2.71Å; E524-R644 PolarHBondContact OE1-NH1 2.84Å; E524-R644 IonicContact OE1-NH2 2.75Å; E524-R644 IonicContact OE2-CZ 3.74Å; E524-R644 IonicContact OE2-NH1 3.75Å; E524-R644 PolarHBondContact OE2-NH1 3.09Å; E524-R644 IonicContact OE2-NH2 3.08Å; E524-R644 PolarHBondContact OE2-NH2 3.06Å
525	V	98.7	Very high	98.5	Very high	14 Å²	14	20.1 Å²	20.1	9%	0.085	13%	0.125	C	C	.	.	H	α-helix	trans	-76.9	-46.5	172	177.2	0	0	0	0	110.5	I515 R521 S522 L523 I527 G528	I515-V525 HydrophobicContact CD1-CG2 3.84Å; I515-V525 HydrophobicContact CG1-CG1 3.9Å; I515-V525 HydrophobicContact CG1-CG2 3.75Å; R521-V525 HydrophobicContact CG-CB 4.07Å; R521-V525 HydrophobicContact CG-CG1 3.87Å; S522-V525 WeakPolarHBondContact O-CB 3.45Å; S522-V525 PolarHBondContact O-N 3.27Å; L523-V525 PolarHBondContact O-N 3.34Å; V525-I527 VanDerWaalsContact C-N 3.29Å; V525-I527 PolarHBondContact O-N 3.47Å; V525-G528 PolarHBondContact O-N 2.93Å; V525-G528 VanDerWaalsContact O-N 3.07Å
526	L	98.6	Very high	98.5	Very high	7 Å²	7	19.8 Å²	19.8	4%	0.037	12%	0.123	C	C	.	.	H	α-helix	trans	-55.3	-41.3	178.9	-64.9	170.9	0	0	0	112.9	R521 S522 L523 H568 I569 I572	R521-L526 HydrophobicContact CG-CD2 3.98Å; R521-L526 HydrophobicContact CG-CG 4.25Å; S522-L526 PolarHBondContact O-N 3.23Å; S522-L526 VanDerWaalsContact O-N 3.08Å; L523-L526 PolarHBondContact O-N 2.89Å; L526-H568 HydrophobicContact CD1-CB 4.01Å; L526-H568 WeakPolarHBondContact CD1-ND1 3.37Å; L526-H568 HydrophobicContact CD2-CB 4.49Å; L526-I569 HydrophobicContact CB-CD1 4.49Å; L526-I569 HydrophobicContact CB-CG1 4.38Å; L526-I569 HydrophobicContact CD1-CG1 4.16Å; L526-I572 HydrophobicContact CD1-CD1 3.77Å
527	I	98.3	Very high	98.6	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-6.9	-179.8	74.6	-180	0	0	0	113.3	L523 V525 A529 I569 L583 G587 K588 Y589 F593 F594	L523-I527 HydrophobicContact CD1-CG2 4.04Å; L523-I527 WeakPolarHBondContact O-CG1 3.41Å; L523-I527 PolarHBondContact O-N 3.38Å; L523-I527 VanDerWaalsContact O-N 3.1Å; V525-I527 VanDerWaalsContact C-N 3.29Å; V525-I527 PolarHBondContact O-N 3.47Å; I527-A529 HydrophobicContact CD1-CB 3.9Å; I527-A529 HydrophobicContact CG1-CB 3.81Å; I527-I569 HydrophobicContact CG2-CD1 3.89Å; I527-L583 HydrophobicContact CD1-CD1 3.91Å; I527-L583 HydrophobicContact CD1-CG 3.67Å; I527-L583 WeakPolarHBondContact CD1-O 3.43Å; I527-G587 CarbonylContact O-C 3.59Å; I527-G587 WeakPolarHBondContact O-CA 3.37Å; I527-K588 PolarHBondContact O-N 2.73Å; I527-K588 VanDerWaalsContact O-N 3.08Å; I527-Y589 PolarHBondContact O-N 3.27Å; I527-F593 HydrophobicContact CG2-CD2 4.49Å; I527-F594 HydrophobicContact CG2-CE2 4Å
528	G	98.3	Very high	98.6	Very high	20 Å²	20	17.6 Å²	17.6	21%	0.206	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	48.2	-176.1	0	0	0	0	0	113.5	E524 V525 G530 K588	E524-G528 PolarHBondContact O-N 2.81Å; V525-G528 PolarHBondContact O-N 2.93Å; V525-G528 VanDerWaalsContact O-N 3.07Å; G528-G530 VanDerWaalsContact C-N 3.34Å; G528-K588 VanDerWaalsContact O-CB 3.27Å; G528-K588 WeakPolarHBondContact O-CB 3.39Å; G528-K588 PolarHBondContact O-N 3.04Å
529	A	97.9	Very high	98.6	Very high	30 Å²	30	15 Å²	15	25%	0.248	10%	0.101	C	C	.	.	S	Bend	trans	-89.4	2.1	175.9	0	0	0	0	0	113.7	E524 I527 L583 A586	E524-A529 HydrophobicContact CB-CB 4.34Å; E524-A529 PolarHBondContact O-N 2.69Å; I527-A529 HydrophobicContact CD1-CB 3.9Å; I527-A529 HydrophobicContact CG1-CB 3.81Å; A529-L583 HydrophobicContact CB-CD1 3.77Å; A529-A586 HydrophobicContact CB-CB 4.1Å
530	G	97.4	Very high	98.7	Very high	46 Å²	46	13.2 Å²	13.2	47%	0.474	9%	0.092	S	C	.	.			trans	90.1	149.1	-169.4	0	0	0	0	0	111.6	E524 G528	E524-G530 WeakPolarHBondContact CB-O 3.41Å; E524-G530 WeakPolarHBondContact CG-O 3.47Å; G528-G530 VanDerWaalsContact C-N 3.34Å
531	Y	98.6	Very high	98.7	Very high	20 Å²	20	13 Å²	13	8%	0.078	9%	0.092	C	C	.	.			trans	-124.4	166.1	-179.6	73.7	-94.5	0	0	0	111.2	I211 T213 C505 H510 T512 I515	I211-Y531 HydrophobicContact CD1-CD2 3.98Å; I211-Y531 HydrophobicContact CD1-CE2 3.74Å; T213-Y531 HydrophobicContact CG2-CE2 4.23Å; C505-Y531 PolarHBondContact SG-OH 2.9Å; H510-Y531 HydrophobicContact CB-CE1 4.45Å; H510-Y531 WeakPolarHBondContact CB-OH 3.41Å; H510-Y531 AromaticContact CD2-CE2 3.98Å; H510-Y531 AromaticContact CD2-CZ 3.83Å; H510-Y531 AromaticContact CE1-CD2 3.96Å; H510-Y531 AromaticContact CE1-CE1 3.8Å; H510-Y531 AromaticContact CE1-CE2 3.7Å; H510-Y531 AromaticContact CE1-CZ 3.62Å; H510-Y531 PolarHBondContact CE1-O 3.37Å; H510-Y531 AromaticContact CG-CE1 3.96Å; H510-Y531 AromaticContact CG-CZ 3.52Å; H510-Y531 VanDerWaalsContact CG-OH 3.24Å; H510-Y531 AromaticContact ND1-CE1 3.4Å; H510-Y531 WeakPolarHBondContact ND1-CE1 3.04Å; H510-Y531 AromaticContact ND1-CE2 3.95Å; H510-Y531 AromaticContact ND1-CZ 3.37Å; H510-Y531 AromaticContact NE2-CE2 3.73Å; H510-Y531 AromaticContact NE2-CZ 3.92Å; T512-Y531 WeakPolarHBondContact O-CE1 3.48Å; T512-Y531 PolarHBondContact O-OH 2.74Å; I515-Y531 HydrophobicContact CD1-CD1 3.83Å; I515-Y531 HydrophobicContact CD1-CD2 3.52Å; I515-Y531 HydrophobicContact CD1-CE1 4.02Å; I515-Y531 HydrophobicContact CD1-CE2 3.72Å; I515-Y531 HydrophobicContact CD1-CG 3.58Å; I515-Y531 HydrophobicContact CG1-CD1 4.37Å; I515-Y531 HydrophobicContact CG1-CE1 4.44Å; I515-Y531 HydrophobicContact CG2-CE1 4.3Å
532	S	98.6	Very high	98.7	Very high	43 Å²	43	11.4 Å²	11.4	30%	0.301	9%	0.086	S	C	.	.			trans	-158.5	-162.9	172.5	-170.1	0	0	0	0	108.7	P534 A535	S532-P534 VanDerWaalsContact C-N 3.26Å; S532-P534 WeakPolarHBondContact O-CD 3.39Å; S532-P534 VanDerWaalsContact O-N 3.1Å; S532-A535 VanDerWaalsContact O-CB 3.31Å; S532-A535 WeakPolarHBondContact O-CB 3.45Å; S532-A535 PolarHBondContact O-N 3.3Å
533	T	98.8	Very high	98.7	Very high	33 Å²	33	11.4 Å²	11.4	20%	0.202	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-28.8	176.7	59.9	0	0	0	0	116.4	H205 I211 V507 A535 D536	H205-T533 HydrophobicContact CB-CG2 3.87Å; H205-T533 PolarHBondContact CE1-O 2.96Å; H205-T533 VanDerWaalsContact CE1-O 3.22Å; I211-T533 HydrophobicContact CG1-CG2 4.07Å; V507-T533 HydrophobicContact CG2-CG2 3.67Å; T533-A535 PolarHBondContact O-N 3.45Å; T533-A535 VanDerWaalsContact O-N 3.15Å; T533-D536 PolarHBondContact O-N 3.17Å
534	P	98.9	Very high	98.7	Very high	22 Å²	22	11.4 Å²	11.4	14%	0.143	9%	0.086	C	C	.	.	H	α-helix	trans	-64.3	-14.9	175.1	-23	36	0	0	0	114.8	S532 I537 W538 P641 R644	S532-P534 VanDerWaalsContact C-N 3.26Å; S532-P534 WeakPolarHBondContact O-CD 3.39Å; S532-P534 VanDerWaalsContact O-N 3.1Å; P534-I537 PolarHBondContact O-N 2.99Å; P534-W538 PolarHBondContact O-N 3.28Å; P534-P641 HydrophobicContact CB-CB 4.11Å; P534-P641 HydrophobicContact CG-CB 4.19Å; P534-P641 VanDerWaalsContact CG-O 3.28Å; P534-P641 WeakPolarHBondContact CG-O 3.31Å; P534-R644 HydrophobicContact CB-CB 4.26Å; P534-R644 VanDerWaalsContact O-CD 3.32Å; P534-R644 WeakPolarHBondContact O-CD 3.27Å; P534-R644 PolarHBondContact O-NH1 3.28Å
535	A	98.9	Very high	98.7	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-64.4	-43.1	175	0	0	0	0	0	111.4	Q516 S532 T533 I537 W538 S539	Q516-A535 PolarHBondContact NE2-O 3.34Å; S532-A535 VanDerWaalsContact O-CB 3.31Å; S532-A535 WeakPolarHBondContact O-CB 3.45Å; S532-A535 PolarHBondContact O-N 3.3Å; T533-A535 PolarHBondContact O-N 3.45Å; T533-A535 VanDerWaalsContact O-N 3.15Å; A535-I537 VanDerWaalsContact C-N 3.27Å; A535-I537 PolarHBondContact O-N 3.25Å; A535-W538 PolarHBondContact O-N 3.09Å; A535-S539 PolarHBondContact O-N 3.47Å; A535-S539 VanDerWaalsContact O-N 3.09Å; A535-S539 PolarHBondContact O-OG 2.85Å
536	D	98.9	Very high	98.7	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-64	-33.1	177.2	-62.9	-25.4	0	0	0	111.9	L201 H205 I211 H212 T213 I215 T533 S539 T540	L201-D536 HydrophobicContact CD1-CB 4.11Å; L201-D536 HydrophobicContact CD2-CB 3.82Å; H205-D536 IonicContact CD2-OD2 3.26Å; H205-D536 IonicContact CE1-OD2 3.92Å; H205-D536 IonicContact NE2-OD2 3.17Å; H205-D536 PolarHBondContact NE2-OD2 3.37Å; I211-D536 WeakPolarHBondContact CG2-OD2 3.5Å; H212-D536 PolarHBondContact N-OD1 2.95Å; H212-D536 PolarHBondContact N-OD2 3.34Å; T213-D536 PolarHBondContact N-OD1 2.95Å; I215-D536 HydrophobicContact CG1-CB 4.27Å; T533-D536 PolarHBondContact O-N 3.17Å; D536-S539 PolarHBondContact O-N 3.39Å; D536-T540 WeakPolarHBondContact O-CB 3.24Å; D536-T540 PolarHBondContact O-N 2.85Å; D536-T540 PolarHBondContact O-OG1 3.22Å
537	I	98.9	Very high	98.7	Very high	2 Å²	2	10.8 Å²	10.8	1%	0.01	8%	0.082	C	C	.	.	H	α-helix	trans	-67.8	-43.2	177.9	-55.2	-59.9	0	0	0	110.9	L198 L201 P534 A535 T540 A541 M636 R644 A645 A647	L198-I537 HydrophobicContact CD2-CD1 4.29Å; L201-I537 HydrophobicContact CD1-CD1 4.35Å; P534-I537 PolarHBondContact O-N 2.99Å; A535-I537 VanDerWaalsContact C-N 3.27Å; A535-I537 PolarHBondContact O-N 3.25Å; I537-T540 WeakPolarHBondContact O-CB 3.38Å; I537-T540 PolarHBondContact O-N 3.15Å; I537-A541 PolarHBondContact O-N 3.49Å; I537-M636 HydrophobicContact CG2-CB 3.79Å; I537-M636 HydrophobicContact CG2-CE 3.97Å; I537-M636 HydrophobicContact CG2-CG 3.92Å; I537-R644 HydrophobicContact CG2-CG 4.37Å; I537-A645 WeakPolarHBondContact CG2-O 3.5Å; I537-A647 HydrophobicContact CD1-CB 4.01Å
538	W	98.9	Very high	98.7	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-60.1	-46.9	174.2	177.2	-76.8	0	0	0	111.3	R521 S522 P534 A535 T540 A541 C542 F554 I572 L576 L637 L639	R521-W538 PolarHBondContact O-NE1 2.89Å; S522-W538 VanDerWaalsContact CB-CG 3.43Å; P534-W538 PolarHBondContact O-N 3.28Å; A535-W538 PolarHBondContact O-N 3.09Å; W538-T540 VanDerWaalsContact C-N 3.28Å; W538-T540 PolarHBondContact O-N 2.95Å; W538-A541 WeakPolarHBondContact O-CB 3.4Å; W538-A541 PolarHBondContact O-N 3.06Å; W538-A541 VanDerWaalsContact O-N 3.14Å; W538-C542 PolarHBondContact O-N 3.14Å; W538-C542 PolarHBondContact O-SG 3.38Å; W538-F554 HydrophobicContact CH2-CE2 4.36Å; W538-F554 HydrophobicContact CH2-CZ 4.45Å; W538-F554 HydrophobicContact CZ2-CD2 4.39Å; W538-F554 AromaticContact CZ2-CE2 3.54Å; W538-F554 HydrophobicContact CZ2-CE2 3.54Å; W538-F554 HydrophobicContact CZ2-CZ 4.04Å; W538-I572 HydrophobicContact CH2-CD1 4.13Å; W538-I572 HydrophobicContact CH2-CG1 4.11Å; W538-I572 HydrophobicContact CH2-CG2 4.11Å; W538-I572 HydrophobicContact CZ2-CD1 3.71Å; W538-I572 HydrophobicContact CZ2-CG1 3.89Å; W538-L576 HydrophobicContact CH2-CD1 3.79Å; W538-L576 HydrophobicContact CZ3-CD1 4.11Å; W538-L637 HydrophobicContact CD2-CD2 3.96Å; W538-L637 HydrophobicContact CE3-CD2 3.9Å; W538-L637 HydrophobicContact CH2-CD2 4.38Å; W538-L637 HydrophobicContact CZ2-CD2 4.43Å; W538-L637 HydrophobicContact CZ3-CB 4.4Å; W538-L637 HydrophobicContact CZ3-CD2 4.12Å; W538-L637 WeakPolarHBondContact CZ3-O 3.34Å; W538-L639 HydrophobicContact CH2-CD2 4.08Å; W538-L639 HydrophobicContact CZ3-CD2 4.03Å
539	S	98.9	Very high	98.7	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-60.5	-38.9	175.9	-55.8	0	0	0	0	111.9	I215 Q516 Y520 A535 D536 A541 C542 M543	I215-S539 WeakPolarHBondContact O-CB 3.07Å; Q516-S539 PolarHBondContact NE2-OG 2.86Å; Y520-S539 PolarHBondContact O-OG 3.16Å; A535-S539 PolarHBondContact O-N 3.47Å; A535-S539 VanDerWaalsContact O-N 3.09Å; A535-S539 PolarHBondContact O-OG 2.85Å; D536-S539 PolarHBondContact O-N 3.39Å; S539-A541 PolarHBondContact O-N 2.88Å; S539-C542 PolarHBondContact O-N 3.31Å; S539-M543 WeakPolarHBondContact O-CB 3.23Å; S539-M543 PolarHBondContact O-N 3.01Å
540	T	98.9	Very high	98.7	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-64.7	-36.4	174.7	-54.8	0	0	0	0	112.4	I194 V197 L198 L201 D536 I537 W538 M543 A544 M636	I194-T540 HydrophobicContact CD1-CG2 4.25Å; I194-T540 HydrophobicContact CG2-CG2 4.4Å; V197-T540 HydrophobicContact CG1-CG2 4.12Å; L198-T540 HydrophobicContact CD2-CG2 4.19Å; L198-T540 HydrophobicContact CG-CG2 4.45Å; L201-T540 WeakPolarHBondContact CD1-OG1 3.5Å; D536-T540 WeakPolarHBondContact O-CB 3.24Å; D536-T540 PolarHBondContact O-N 2.85Å; D536-T540 PolarHBondContact O-OG1 3.22Å; I537-T540 WeakPolarHBondContact O-CB 3.38Å; I537-T540 PolarHBondContact O-N 3.15Å; W538-T540 VanDerWaalsContact C-N 3.28Å; W538-T540 PolarHBondContact O-N 2.95Å; T540-M543 HydrophobicContact CG2-CE 4.43Å; T540-A544 VanDerWaalsContact O-CB 3.26Å; T540-A544 WeakPolarHBondContact O-CB 3.34Å; T540-A544 PolarHBondContact O-N 3.43Å; T540-M636 HydrophobicContact CG2-CE 3.87Å
541	A	98.9	Very high	98.7	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-67.3	-42.7	175.4	0	0	0	0	0	112.2	I537 W538 S539 A544 F545 L633 M636 L637	I537-A541 PolarHBondContact O-N 3.49Å; W538-A541 WeakPolarHBondContact O-CB 3.4Å; W538-A541 PolarHBondContact O-N 3.06Å; W538-A541 VanDerWaalsContact O-N 3.14Å; S539-A541 PolarHBondContact O-N 2.88Å; A541-A544 PolarHBondContact O-N 3.07Å; A541-F545 PolarHBondContact O-N 3.36Å; A541-F545 VanDerWaalsContact O-N 3.11Å; A541-L633 HydrophobicContact CB-CD2 4.13Å; A541-M636 HydrophobicContact CB-CB 3.72Å; A541-M636 HydrophobicContact CB-CE 4.15Å; A541-L637 HydrophobicContact CB-CD1 4.5Å; A541-L637 HydrophobicContact CB-CD2 3.72Å; A541-L637 HydrophobicContact CB-CG 3.84Å
542	C	98.9	Very high	98.7	Very high	2 Å²	2	13.6 Å²	13.6	1%	0.014	8%	0.076	C	C	.	.	H	α-helix	trans	-61.1	-47.4	175.1	-59.7	0	0	0	0	110.9	Y520 W538 S539 A544 F545 E546 L553	Y520-C542 HydrophobicContact CD1-CB 4Å; W538-C542 PolarHBondContact O-N 3.14Å; W538-C542 PolarHBondContact O-SG 3.38Å; S539-C542 PolarHBondContact O-N 3.31Å; C542-A544 PolarHBondContact O-N 3.31Å; C542-F545 PolarHBondContact O-N 2.88Å; C542-E546 PolarHBondContact O-N 3.44Å; C542-E546 VanDerWaalsContact O-N 3.07Å; C542-L553 HydrophobicContact CB-CB 4.47Å
543	M	98.8	Very high	98.8	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-64	-36.3	176.1	-179	178.6	67.5	0	0	112.7	I194 V197 I215 P217 I220 Y520 S539 T540 E546 L547	I194-M543 HydrophobicContact CD1-CE 3.99Å; V197-M543 HydrophobicContact CG1-CE 4.02Å; V197-M543 HydrophobicContact CG2-CE 4.09Å; I215-M543 HydrophobicContact CG2-CE 3.67Å; I215-M543 HydrophobicContact CG2-SD 4.16Å; P217-M543 HydrophobicContact CG-CG 3.98Å; P217-M543 HydrophobicContact CG-SD 4.45Å; I220-M543 HydrophobicContact CD1-CE 4.45Å; I220-M543 HydrophobicContact CG1-CE 3.92Å; I220-M543 HydrophobicContact CG1-SD 3.74Å; Y520-M543 HydrophobicContact CD1-CB 4.37Å; Y520-M543 HydrophobicContact CE1-CB 4.33Å; S539-M543 WeakPolarHBondContact O-CB 3.23Å; S539-M543 PolarHBondContact O-N 3.01Å; T540-M543 HydrophobicContact CG2-CE 4.43Å; M543-E546 PolarHBondContact O-N 3.21Å; M543-L547 HydrophobicContact CG-CD1 3.86Å; M543-L547 HydrophobicContact CG-CG 4.26Å; M543-L547 WeakPolarHBondContact O-CB 3.34Å; M543-L547 VanDerWaalsContact O-CG 3.23Å; M543-L547 WeakPolarHBondContact O-CG 3.29Å; M543-L547 PolarHBondContact O-N 3.04Å
544	A	98.9	Very high	98.7	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-64.6	-42.2	176.9	0	0	0	0	0	111.9	I194 T540 A541 C542 A548 F629 L633	I194-A544 HydrophobicContact CD1-CB 3.72Å; I194-A544 HydrophobicContact CG1-CB 3.84Å; T540-A544 VanDerWaalsContact O-CB 3.26Å; T540-A544 WeakPolarHBondContact O-CB 3.34Å; T540-A544 PolarHBondContact O-N 3.43Å; A541-A544 PolarHBondContact O-N 3.07Å; C542-A544 PolarHBondContact O-N 3.31Å; A544-A548 WeakPolarHBondContact O-CB 3.34Å; A544-A548 PolarHBondContact O-N 3.36Å; A544-A548 VanDerWaalsContact O-N 3.13Å; A544-F629 HydrophobicContact CB-CE2 4.47Å; A544-F629 HydrophobicContact CB-CZ 4.49Å; A544-L633 HydrophobicContact CB-CD2 3.87Å
545	F	98.9	Very high	98.7	Very high	5 Å²	5	14.7 Å²	14.7	2%	0.022	7%	0.072	C	C	.	.	H	α-helix	trans	-63.3	-45.4	174.4	178	-89.8	0	0	0	111.9	A541 C542 A548 T549 D551 L553 L611 V614 L615 Y619 L633	A541-F545 PolarHBondContact O-N 3.36Å; A541-F545 VanDerWaalsContact O-N 3.11Å; C542-F545 PolarHBondContact O-N 2.88Å; F545-A548 PolarHBondContact O-N 3.5Å; F545-A548 VanDerWaalsContact O-N 3.16Å; F545-T549 HydrophobicContact CD2-CG2 4.38Å; F545-T549 HydrophobicContact CE2-CG2 4.24Å; F545-T549 HydrophobicContact CZ-CG2 4.33Å; F545-T549 WeakPolarHBondContact O-CB 3.35Å; F545-T549 WeakPolarHBondContact O-CG2 3.49Å; F545-T549 PolarHBondContact O-N 3.12Å; F545-T549 PolarHBondContact O-OG1 3.25Å; F545-D551 WeakPolarHBondContact CD1-O 3.49Å; F545-L553 HydrophobicContact CB-CB 4.28Å; F545-L553 HydrophobicContact CB-CD1 4.43Å; F545-L553 HydrophobicContact CD1-CB 3.7Å; F545-L553 HydrophobicContact CD1-CD1 3.89Å; F545-L553 HydrophobicContact CD1-CG 4.38Å; F545-L553 HydrophobicContact CD2-CD1 3.83Å; F545-L553 HydrophobicContact CE1-CB 4.19Å; F545-L553 HydrophobicContact CE1-CD1 3.95Å; F545-L553 HydrophobicContact CE2-CD1 3.89Å; F545-L553 HydrophobicContact CG-CB 4.1Å; F545-L553 HydrophobicContact CG-CD1 3.8Å; F545-L553 HydrophobicContact CG-CG 4.43Å; F545-L553 HydrophobicContact CZ-CD1 3.92Å; F545-L611 HydrophobicContact CD2-CD1 3.9Å; F545-L611 HydrophobicContact CE2-CD1 3.78Å; F545-V614 HydrophobicContact CZ-CG1 4.47Å; F545-L615 HydrophobicContact CE2-CD2 4.17Å; F545-Y619 HydrophobicContact CE1-CE2 4.49Å; F545-Y619 WeakPolarHBondContact CE1-OH 3.14Å; F545-Y619 HydrophobicContact CE2-CE2 4.13Å; F545-Y619 AromaticContact CZ-CE2 3.63Å; F545-Y619 HydrophobicContact CZ-CE2 3.63Å; F545-Y619 AromaticContact CZ-CZ 3.86Å; F545-Y619 VanDerWaalsContact CZ-OH 3.3Å; F545-Y619 WeakPolarHBondContact CZ-OH 3.32Å; F545-L633 HydrophobicContact CB-CD1 4.2Å
546	E	98.8	Very high	98.7	Very high	4 Å²	4	15.1 Å²	15.1	2%	0.019	8%	0.075	C	C	.	.	H	α-helix	trans	-62.8	-46	177.3	-174.6	-165.9	169.9	0	0	111.9	I177 P217 Y520 C542 M543 A548 T549 G550 D551 Y552	I177-E546 HydrophobicContact CD1-CG 4.23Å; P217-E546 WeakPolarHBondContact CG-OE2 3.49Å; Y520-E546 VanDerWaalsContact CE1-OE2 3.26Å; Y520-E546 WeakPolarHBondContact CE1-OE2 3.39Å; Y520-E546 PolarHBondContact OH-OE2 3.4Å; C542-E546 PolarHBondContact O-N 3.44Å; C542-E546 VanDerWaalsContact O-N 3.07Å; M543-E546 PolarHBondContact O-N 3.21Å; E546-A548 PolarHBondContact O-N 2.95Å; E546-T549 PolarHBondContact O-N 3.47Å; E546-G550 WeakPolarHBondContact O-CA 3.32Å; E546-G550 PolarHBondContact O-N 3.03Å; E546-D551 VanDerWaalsContact CA-O 3.31Å; E546-D551 WeakPolarHBondContact CA-O 3.39Å; E546-Y552 HydrophobicContact CG-CD1 4.3Å
547	L	98.7	Very high	98.6	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-61.2	-27.1	175	-73.1	169.4	0	0	0	112.7	L173 I177 G184 L185 V190 I193 I194 M543	L173-L547 HydrophobicContact CB-CD2 4.07Å; L173-L547 HydrophobicContact CD1-CD1 3.89Å; L173-L547 HydrophobicContact CD1-CD2 3.95Å; I177-L547 HydrophobicContact CD1-CD2 3.92Å; I177-L547 HydrophobicContact CG1-CD2 4.09Å; G184-L547 CarbonylContact C-O 3.58Å; L185-L547 WeakPolarHBondContact CB-O 3.19Å; L185-L547 HydrophobicContact CD1-CD2 4.15Å; L185-L547 HydrophobicContact CD2-CD2 4.4Å; L185-L547 PolarHBondContact N-O 2.99Å; V190-L547 HydrophobicContact CG1-CB 3.9Å; V190-L547 HydrophobicContact CG2-CB 4.2Å; V190-L547 WeakPolarHBondContact CG2-O 3.46Å; I193-L547 HydrophobicContact CG2-CD1 4.04Å; I194-L547 HydrophobicContact CD1-CD1 4.09Å; M543-L547 HydrophobicContact CG-CD1 3.86Å; M543-L547 HydrophobicContact CG-CG 4.26Å; M543-L547 WeakPolarHBondContact O-CB 3.34Å; M543-L547 VanDerWaalsContact O-CG 3.23Å; M543-L547 WeakPolarHBondContact O-CG 3.29Å; M543-L547 PolarHBondContact O-N 3.04Å
548	A	98.6	Very high	98.5	Very high	10 Å²	10	23.5 Å²	23.5	8%	0.083	12%	0.122	C	C	.	.	H	α-helix	trans	-90.2	-19.9	179.1	0	0	0	0	0	114.5	V190 A544 F545 E546 W621 F629	V190-A548 HydrophobicContact CG1-CB 4.41Å; A544-A548 WeakPolarHBondContact O-CB 3.34Å; A544-A548 PolarHBondContact O-N 3.36Å; A544-A548 VanDerWaalsContact O-N 3.13Å; F545-A548 PolarHBondContact O-N 3.5Å; F545-A548 VanDerWaalsContact O-N 3.16Å; E546-A548 PolarHBondContact O-N 2.95Å; A548-W621 HydrophobicContact CB-CH2 3.87Å; A548-W621 HydrophobicContact CB-CZ2 3.89Å; A548-F629 HydrophobicContact CB-CE1 3.82Å; A548-F629 HydrophobicContact CB-CZ 3.75Å
549	T	98.5	Very high	98.2	Very high	12 Å²	12	25 Å²	25	7%	0.074	14%	0.137	C	C	.	.	H	α-helix	trans	-127.1	-19.1	-171.1	63	0	0	0	0	115	F545 E546 D551 L615 Y619 W621	F545-T549 HydrophobicContact CD2-CG2 4.38Å; F545-T549 HydrophobicContact CE2-CG2 4.24Å; F545-T549 HydrophobicContact CZ-CG2 4.33Å; F545-T549 WeakPolarHBondContact O-CB 3.35Å; F545-T549 WeakPolarHBondContact O-CG2 3.49Å; F545-T549 PolarHBondContact O-N 3.12Å; F545-T549 PolarHBondContact O-OG1 3.25Å; E546-T549 PolarHBondContact O-N 3.47Å; T549-D551 PolarHBondContact O-N 2.93Å; T549-D551 PolarHBondContact OG1-N 3.25Å; T549-D551 PolarHBondContact OG1-O 3.3Å; T549-L615 HydrophobicContact CG2-CD2 4.22Å; T549-Y619 HydrophobicContact CG2-CD1 4.21Å; T549-Y619 HydrophobicContact CG2-CD2 4.13Å; T549-Y619 HydrophobicContact CG2-CE1 4.09Å; T549-Y619 HydrophobicContact CG2-CE2 3.95Å; T549-Y619 HydrophobicContact CG2-CG 4.21Å; T549-W621 HydrophobicContact CG2-CZ2 4.33Å
550	G	97.8	Very high	98	Very high	4 Å²	4	34.2 Å²	34.2	4%	0.041	18%	0.18	C	C	.	.	S	Bend	trans	82	-10.4	-173.2	0	0	0	0	0	115.3	Y182 E546	Y182-G550 WeakPolarHBondContact O-CA 3.4Å; E546-G550 WeakPolarHBondContact O-CA 3.32Å; E546-G550 PolarHBondContact O-N 3.03Å
551	D	98.3	Very high	97.8	Very high	69 Å²	69	40.4 Å²	40.4	37%	0.369	21%	0.213	S	C	.	.	S	Bend	trans	-108.2	146	-177.8	-91	-21.7	0	0	0	111.5	F545 E546 T549 K618 Y619	F545-D551 WeakPolarHBondContact CD1-O 3.49Å; E546-D551 VanDerWaalsContact CA-O 3.31Å; E546-D551 WeakPolarHBondContact CA-O 3.39Å; T549-D551 PolarHBondContact O-N 2.93Å; T549-D551 PolarHBondContact OG1-N 3.25Å; T549-D551 PolarHBondContact OG1-O 3.3Å; D551-K618 WeakPolarHBondContact OD2-CE 3.32Å; D551-K618 IonicContact OD2-NZ 3.59Å; D551-K618 PolarHBondContact OD2-NZ 3.31Å; D551-Y619 HydrophobicContact CB-CE1 4.35Å; D551-Y619 VanDerWaalsContact CB-OH 3.3Å; D551-Y619 WeakPolarHBondContact CB-OH 3.23Å; D551-Y619 PolarHBondContact OD2-OH 3.06Å
552	Y	98.7	Very high	97.8	Very high	80 Å²	80	44.4 Å²	44.4	31%	0.314	23%	0.229	S	C	.	.			trans	-63.3	139.7	169.7	-61	-57.4	0	0	0	111.6	Q519 E546 F554 E555	Q519-Y552 HydrophobicContact CB-CD1 3.86Å; Q519-Y552 HydrophobicContact CB-CE1 4.32Å; Q519-Y552 HydrophobicContact CB-CG 4.06Å; Q519-Y552 HydrophobicContact CG-CD1 3.88Å; Q519-Y552 HydrophobicContact CG-CD2 3.86Å; Q519-Y552 HydrophobicContact CG-CE1 4.2Å; Q519-Y552 HydrophobicContact CG-CE2 4.17Å; Q519-Y552 HydrophobicContact CG-CG 3.7Å; E546-Y552 HydrophobicContact CG-CD1 4.3Å; Y552-F554 VanDerWaalsContact C-N 3.28Å; Y552-F554 PolarHBondContact O-N 3.03Å; Y552-E555 HydrophobicContact CD2-CB 4.46Å; Y552-E555 HydrophobicContact CD2-CG 4.27Å
553	L	98.7	Very high	97.7	Very high	24 Å²	24	46.6 Å²	46.6	13%	0.126	24%	0.244	C	C	.	.	S	Bend	trans	-63.5	-35.9	173.1	-175.9	59.9	0	0	0	112.1	C542 F545 L575 L611 L637	C542-L553 HydrophobicContact CB-CB 4.47Å; F545-L553 HydrophobicContact CB-CB 4.28Å; F545-L553 HydrophobicContact CB-CD1 4.43Å; F545-L553 HydrophobicContact CD1-CB 3.7Å; F545-L553 HydrophobicContact CD1-CD1 3.89Å; F545-L553 HydrophobicContact CD1-CG 4.38Å; F545-L553 HydrophobicContact CD2-CD1 3.83Å; F545-L553 HydrophobicContact CE1-CB 4.19Å; F545-L553 HydrophobicContact CE1-CD1 3.95Å; F545-L553 HydrophobicContact CE2-CD1 3.89Å; F545-L553 HydrophobicContact CG-CB 4.1Å; F545-L553 HydrophobicContact CG-CD1 3.8Å; F545-L553 HydrophobicContact CG-CG 4.43Å; F545-L553 HydrophobicContact CZ-CD1 3.92Å; L553-L575 HydrophobicContact CD1-CD2 3.78Å; L553-L575 HydrophobicContact CD2-CD2 4.32Å; L553-L575 HydrophobicContact CG-CD2 4.19Å; L553-L611 HydrophobicContact CD1-CD1 4.32Å; L553-L637 HydrophobicContact CD2-CD1 3.88Å; L553-L637 HydrophobicContact CD2-CD2 4.16Å
554	F	98.8	Very high	97.7	Very high	4 Å²	4	52 Å²	52	2%	0.018	27%	0.265	C	S	.	.			trans	-135.7	112.7	176.7	-52.3	-64.9	0	0	0	110.2	Q519 W538 Y552 P556 H568 L571 I572 L575 L576	Q519-F554 WeakPolarHBondContact CG-O 3.45Å; W538-F554 HydrophobicContact CH2-CE2 4.36Å; W538-F554 HydrophobicContact CH2-CZ 4.45Å; W538-F554 HydrophobicContact CZ2-CD2 4.39Å; W538-F554 AromaticContact CZ2-CE2 3.54Å; W538-F554 HydrophobicContact CZ2-CE2 3.54Å; W538-F554 HydrophobicContact CZ2-CZ 4.04Å; Y552-F554 VanDerWaalsContact C-N 3.28Å; Y552-F554 PolarHBondContact O-N 3.03Å; F554-P556 VanDerWaalsContact C-CD 3.49Å; F554-P556 VanDerWaalsContact O-CD 3.28Å; F554-P556 WeakPolarHBondContact O-CD 3.33Å; F554-H568 VanDerWaalsContact CB-NE2 3.31Å; F554-H568 WeakPolarHBondContact CB-NE2 3.45Å; F554-H568 AromaticContact CD2-NE2 3.79Å; F554-H568 AromaticContact CG-NE2 3.71Å; F554-L571 HydrophobicContact CD1-CB 3.94Å; F554-I572 HydrophobicContact CD1-CG1 4.24Å; F554-I572 HydrophobicContact CE1-CG1 3.87Å; F554-I572 HydrophobicContact CE2-CG1 4.18Å; F554-I572 HydrophobicContact CZ-CG1 3.83Å; F554-L575 HydrophobicContact CE1-CB 4.26Å; F554-L575 HydrophobicContact CE1-CD2 3.72Å; F554-L575 HydrophobicContact CZ-CD2 3.71Å; F554-L576 HydrophobicContact CZ-CD1 4.44Å
555	E	98.2	Very high	97.7	Very high	93 Å²	93	54.1 Å²	54.1	44%	0.435	28%	0.276	S	S	.	.			trans	-114.6	80.7	173.1	-164.2	-172.9	-150.2	0	0	110.8	Y552 H557	Y552-E555 HydrophobicContact CD2-CB 4.46Å; Y552-E555 HydrophobicContact CD2-CG 4.27Å; E555-H557 PolarHBondContact O-CE1 3.14Å; E555-H557 PolarHBondContact O-ND1 2.95Å; E555-H557 IonicContact OE2-CE1 3.19Å
556	P	98.1	Very high	97.6	Very high	9 Å²	9	54 Å²	54	6%	0.058	28%	0.275	C	S	.	.			trans	-78.5	143.2	-172.7	32.1	-38.4	0	0	0	113.8	R518 F554 R564 D567 H568 L571	R518-P556 HydrophobicContact CG-CG 4.2Å; F554-P556 VanDerWaalsContact C-CD 3.49Å; F554-P556 VanDerWaalsContact O-CD 3.28Å; F554-P556 WeakPolarHBondContact O-CD 3.33Å; P556-R564 HydrophobicContact CB-CG 3.94Å; P556-R564 WeakPolarHBondContact CB-O 3.47Å; P556-R564 HydrophobicContact CG-CG 4.03Å; P556-R564 WeakPolarHBondContact O-CD 3.3Å; P556-R564 VanDerWaalsContact O-CG 3.32Å; P556-R564 WeakPolarHBondContact O-CG 3.42Å; P556-D567 VanDerWaalsContact CA-OD2 3.32Å; P556-D567 WeakPolarHBondContact CA-OD2 3.41Å; P556-D567 HydrophobicContact CB-CB 4.42Å; P556-H568 HydrophobicContact CB-CB 3.6Å; P556-H568 HydrophobicContact CG-CB 3.82Å; P556-L571 HydrophobicContact CB-CD1 4.2Å
557	H	97.3	Very high	97.6	Very high	107 Å²	107	55 Å²	55	50%	0.495	28%	0.28	S	S	.	.			trans	-121	155.5	-177.2	-71.1	74.8	0	0	0	111.5	E555 D567	E555-H557 PolarHBondContact O-CE1 3.14Å; E555-H557 PolarHBondContact O-ND1 2.95Å; E555-H557 IonicContact OE2-CE1 3.19Å; H557-D567 PolarHBondContact N-OD2 3.36Å; H557-D567 WeakPolarHBondContact O-CB 3.43Å
558	S	96.1	Very high	97.6	Very high	71 Å²	71	55 Å²	55	50%	0.497	28%	0.28	S	S	.	.			trans	-94.8	129.2	172.9	49.5	0	0	0	0	109.8
559	G	94.3	Very high	97.6	Very high	30 Å²	30	54.5 Å²	54.5	31%	0.309	28%	0.276	S	S	.	.			trans	-89.4	-165.3	175	0	0	0	0	0	113.3	Y562	G559-Y562 VanDerWaalsContact N-CE2 3.32Å; G559-Y562 PolarHBondContact N-O 3.44Å
560	E	94.1	Very high	97.7	Very high	195 Å²	195	54 Å²	54	91%	0.911	27%	0.274	S	S	*	.	S	Bend	trans	-77.1	-45.7	169.6	-63.1	179.6	157.5	0	0	110.6
561	D	95.6	Very high	97.7	Very high	130 Å²	130	56 Å²	56	70%	0.695	28%	0.284	S	S	*	.	S	Bend	trans	-100.5	-1.3	-176.2	-62.1	-50	0	0	0	114.9	H602	D561-H602 WeakPolarHBondContact O-CB 3.23Å; D561-H602 VanDerWaalsContact O-CG 3.27Å
562	Y	96.9	Very high	97.7	Very high	84 Å²	84	52.8 Å²	52.8	33%	0.329	27%	0.266	S	S	.	.	S	Bend	trans	-142.3	145.8	-172.3	59.9	-94.5	0	0	0	114.1	G559 D567 I603	G559-Y562 VanDerWaalsContact N-CE2 3.32Å; G559-Y562 PolarHBondContact N-O 3.44Å; Y562-D567 HydrophobicContact CD2-CB 4Å; Y562-D567 HydrophobicContact CE2-CB 3.91Å; Y562-I603 HydrophobicContact CD1-CD1 4.45Å; Y562-I603 HydrophobicContact CD1-CG1 4.01Å; Y562-I603 HydrophobicContact CD2-CD1 3.68Å; Y562-I603 HydrophobicContact CD2-CG1 4.12Å; Y562-I603 HydrophobicContact CE2-CD1 4.08Å; Y562-I603 HydrophobicContact CG-CD1 3.88Å; Y562-I603 HydrophobicContact CG-CG1 3.78Å
563	S	98	Very high	97.7	Very high	47 Å²	47	49.9 Å²	49.9	33%	0.329	26%	0.256	S	S	.	.			trans	-78.4	162.6	179	82.6	0	0	0	0	112.2	D565 E566 D567	S563-D565 PolarHBondContact O-N 2.97Å; S563-D565 PolarHBondContact OG-N 3.3Å; S563-E566 PolarHBondContact O-N 3.21Å; S563-E566 PolarHBondContact OG-N 2.88Å; S563-E566 VanDerWaalsContact OG-N 3.16Å; S563-D567 PolarHBondContact O-N 3.44Å; S563-D567 VanDerWaalsContact O-N 3.11Å
564	R	98.1	Very high	97.7	Very high	115 Å²	115	50.9 Å²	50.9	43%	0.434	26%	0.26	S	S	.	.	H	α-helix	trans	-63	-25.9	173.2	-168.3	178.7	-59.8	112.4	10.7	112.5	P556 H568	P556-R564 HydrophobicContact CB-CG 3.94Å; P556-R564 WeakPolarHBondContact CB-O 3.47Å; P556-R564 HydrophobicContact CG-CG 4.03Å; P556-R564 WeakPolarHBondContact O-CD 3.3Å; P556-R564 VanDerWaalsContact O-CG 3.32Å; P556-R564 WeakPolarHBondContact O-CG 3.42Å; R564-H568 WeakPolarHBondContact O-CB 3.36Å; R564-H568 PolarHBondContact O-N 2.89Å; R564-H568 VanDerWaalsContact O-N 3.09Å
565	D	98.4	Very high	97.7	Very high	44 Å²	44	51.9 Å²	51.9	24%	0.235	27%	0.265	C	S	.	.	H	α-helix	trans	-76	-37.6	176.7	-58.8	-74.1	0	0	0	111.4	R518 S563 H568 I569 F593	R518-D565 IonicContact CZ-OD1 3.66Å; R518-D565 IonicContact NH1-OD1 3.34Å; R518-D565 PolarHBondContact NH1-OD1 3.24Å; R518-D565 IonicContact NH2-OD1 2.74Å; R518-D565 PolarHBondContact NH2-OD1 2.91Å; R518-D565 IonicContact NH2-OD2 3.51Å; S563-D565 PolarHBondContact O-N 2.97Å; S563-D565 PolarHBondContact OG-N 3.3Å; D565-H568 PolarHBondContact O-N 3.39Å; D565-I569 WeakPolarHBondContact O-CD1 3.26Å; D565-I569 VanDerWaalsContact O-CG1 3.26Å; D565-I569 WeakPolarHBondContact O-CG1 3.13Å; D565-I569 PolarHBondContact O-N 3.15Å; D565-F593 HydrophobicContact CB-CE1 3.87Å; D565-F593 HydrophobicContact CB-CZ 3.75Å
566	E	98.4	Very high	97.7	Very high	3 Å²	3	49.5 Å²	49.5	1%	0.014	26%	0.255	C	S	.	.	H	α-helix	trans	-67	-40.5	173.8	-164.8	175.7	166.6	0	0	112.1	S563 H568 I569 A570 F593 L600 R601 H602 I603	S563-E566 PolarHBondContact O-N 3.21Å; S563-E566 PolarHBondContact OG-N 2.88Å; S563-E566 VanDerWaalsContact OG-N 3.16Å; E566-H568 VanDerWaalsContact C-N 3.34Å; E566-I569 PolarHBondContact O-N 2.84Å; E566-A570 PolarHBondContact O-N 2.91Å; E566-F593 HydrophobicContact CB-CD1 3.96Å; E566-F593 HydrophobicContact CG-CB 4.43Å; E566-F593 HydrophobicContact CG-CD1 4.43Å; E566-L600 HydrophobicContact CG-CD1 4.32Å; E566-L600 HydrophobicContact CG-CD2 4.04Å; E566-R601 PolarHBondContact OE1-N 2.73Å; E566-H602 IonicContact OE1-CG 2.68Å; E566-H602 PolarHBondContact OE1-N 3.45Å; E566-H602 IonicContact OE1-ND1 2.84Å; E566-H602 IonicContact OE2-CE1 2.75Å; E566-H602 IonicContact OE2-CG 3.78Å; E566-H602 IonicContact OE2-ND1 2.74Å; E566-H602 PolarHBondContact OE2-ND1 3.41Å; E566-I603 HydrophobicContact CB-CD1 4.43Å; E566-I603 HydrophobicContact CG-CD1 4.13Å; E566-I603 HydrophobicContact CG-CG1 4.33Å; E566-I603 PolarHBondContact OE1-N 3.45Å
567	D	98.7	Very high	97.7	Very high	23 Å²	23	50.7 Å²	50.7	12%	0.123	27%	0.269	C	S	.	.	H	α-helix	trans	-63.8	-38.6	174	-166.4	66	0	0	0	112	P556 H557 Y562 S563 I569 A570 L571 I603	P556-D567 VanDerWaalsContact CA-OD2 3.32Å; P556-D567 WeakPolarHBondContact CA-OD2 3.41Å; P556-D567 HydrophobicContact CB-CB 4.42Å; H557-D567 PolarHBondContact N-OD2 3.36Å; H557-D567 WeakPolarHBondContact O-CB 3.43Å; Y562-D567 HydrophobicContact CD2-CB 4Å; Y562-D567 HydrophobicContact CE2-CB 3.91Å; S563-D567 PolarHBondContact O-N 3.44Å; S563-D567 VanDerWaalsContact O-N 3.11Å; D567-I569 VanDerWaalsContact C-N 3.34Å; D567-I569 PolarHBondContact O-N 3.4Å; D567-A570 WeakPolarHBondContact O-CB 3.43Å; D567-A570 PolarHBondContact O-N 3.45Å; D567-A570 VanDerWaalsContact O-N 3.15Å; D567-L571 WeakPolarHBondContact O-CG 3.17Å; D567-L571 PolarHBondContact O-N 3.17Å; D567-I603 VanDerWaalsContact CA-CD1 3.5Å; D567-I603 HydrophobicContact CB-CD1 4.06Å
568	H	98.8	Very high	97.7	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.9	-41.5	173.8	-159.7	-178.3	0	0	0	111.8	R518 R521 L526 F554 P556 R564 D565 E566 A570 L571 I572	R518-H568 PolarHBondContact O-CE1 2.92Å; R521-H568 PolarHBondContact O-CE1 3.43Å; L526-H568 HydrophobicContact CD1-CB 4.01Å; L526-H568 WeakPolarHBondContact CD1-ND1 3.37Å; L526-H568 HydrophobicContact CD2-CB 4.49Å; F554-H568 VanDerWaalsContact CB-NE2 3.31Å; F554-H568 WeakPolarHBondContact CB-NE2 3.45Å; F554-H568 AromaticContact CD2-NE2 3.79Å; F554-H568 AromaticContact CG-NE2 3.71Å; P556-H568 HydrophobicContact CB-CB 3.6Å; P556-H568 HydrophobicContact CG-CB 3.82Å; R564-H568 WeakPolarHBondContact O-CB 3.36Å; R564-H568 PolarHBondContact O-N 2.89Å; R564-H568 VanDerWaalsContact O-N 3.09Å; D565-H568 PolarHBondContact O-N 3.39Å; E566-H568 VanDerWaalsContact C-N 3.34Å; H568-A570 VanDerWaalsContact C-N 3.32Å; H568-L571 PolarHBondContact O-N 2.9Å; H568-I572 WeakPolarHBondContact O-CD1 3.26Å; H568-I572 VanDerWaalsContact O-CG1 3.27Å; H568-I572 WeakPolarHBondContact O-CG1 3.35Å; H568-I572 PolarHBondContact O-N 3.16Å; H568-I572 VanDerWaalsContact O-N 3.09Å
569	I	98.8	Very high	97.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-66.7	-34.6	174.5	-63.6	162.8	0	0	0	110.9	L523 L526 I527 D565 E566 D567 I572 I573 V579 F593 F594 L600	L523-I569 HydrophobicContact CD1-CG1 3.94Å; L523-I569 HydrophobicContact CD1-CG2 4.31Å; L526-I569 HydrophobicContact CB-CD1 4.49Å; L526-I569 HydrophobicContact CB-CG1 4.38Å; L526-I569 HydrophobicContact CD1-CG1 4.16Å; I527-I569 HydrophobicContact CG2-CD1 3.89Å; D565-I569 WeakPolarHBondContact O-CD1 3.26Å; D565-I569 VanDerWaalsContact O-CG1 3.26Å; D565-I569 WeakPolarHBondContact O-CG1 3.13Å; D565-I569 PolarHBondContact O-N 3.15Å; E566-I569 PolarHBondContact O-N 2.84Å; D567-I569 VanDerWaalsContact C-N 3.34Å; D567-I569 PolarHBondContact O-N 3.4Å; I569-I572 PolarHBondContact O-N 3.3Å; I569-I573 HydrophobicContact CG2-CD1 3.9Å; I569-I573 VanDerWaalsContact O-CG1 3.26Å; I569-I573 WeakPolarHBondContact O-CG1 3.3Å; I569-I573 PolarHBondContact O-N 2.97Å; I569-V579 HydrophobicContact CG2-CG2 4.48Å; I569-F593 HydrophobicContact CD1-CB 4Å; I569-F593 HydrophobicContact CD1-CD1 4.42Å; I569-F593 HydrophobicContact CD1-CD2 3.41Å; I569-F593 VanDerWaalsContact CD1-CD2 3.41Å; I569-F593 HydrophobicContact CD1-CE2 3.98Å; I569-F593 HydrophobicContact CD1-CG 3.67Å; I569-F594 HydrophobicContact CD1-CE2 4.46Å; I569-F594 HydrophobicContact CG2-CE1 4.19Å; I569-F594 HydrophobicContact CG2-CE2 4.39Å; I569-F594 HydrophobicContact CG2-CZ 3.6Å; I569-L600 HydrophobicContact CB-CD2 4.46Å; I569-L600 HydrophobicContact CG2-CD2 3.84Å
570	A	98.8	Very high	98	Very high	3 Å²	3	50.6 Å²	50.6	3%	0.025	26%	0.255	C	S	.	.	H	α-helix	trans	-62.8	-50	174.5	0	0	0	0	0	112	E566 D567 H568 I572 I573 E574 L600 I603 L606	E566-A570 PolarHBondContact O-N 2.91Å; D567-A570 WeakPolarHBondContact O-CB 3.43Å; D567-A570 PolarHBondContact O-N 3.45Å; D567-A570 VanDerWaalsContact O-N 3.15Å; H568-A570 VanDerWaalsContact C-N 3.32Å; A570-I572 VanDerWaalsContact C-N 3.29Å; A570-I572 PolarHBondContact O-N 2.98Å; A570-I573 PolarHBondContact O-N 3.37Å; A570-E574 WeakPolarHBondContact O-CG 3.42Å; A570-E574 PolarHBondContact O-N 3.3Å; A570-L600 HydrophobicContact CB-CD1 3.73Å; A570-I603 HydrophobicContact CB-CB 4.38Å; A570-I603 HydrophobicContact CB-CD1 3.79Å; A570-I603 HydrophobicContact CB-CG2 3.9Å; A570-L606 HydrophobicContact CB-CD2 3.64Å
571	L	98.8	Very high	98.1	Very high	46 Å²	46	50 Å²	50	24%	0.241	25%	0.245	C	C	.	.	H	α-helix	trans	-58.1	-40.4	176	-66.3	172.3	0	0	0	112	F554 P556 D567 H568 I573 E574 L575	F554-L571 HydrophobicContact CD1-CB 3.94Å; P556-L571 HydrophobicContact CB-CD1 4.2Å; D567-L571 WeakPolarHBondContact O-CG 3.17Å; D567-L571 PolarHBondContact O-N 3.17Å; H568-L571 PolarHBondContact O-N 2.9Å; L571-I573 VanDerWaalsContact C-N 3.35Å; L571-I573 PolarHBondContact O-N 3.01Å; L571-E574 PolarHBondContact O-N 3.14Å; L571-L575 PolarHBondContact O-N 3.02Å; L571-L575 VanDerWaalsContact O-N 3.09Å
572	I	98.8	Very high	98.1	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61.4	-41.5	174.1	-73	167	0	0	0	111.3	L523 L526 W538 F554 H568 I569 A570 L576 L639	L523-I572 HydrophobicContact CB-CD1 4.35Å; L523-I572 HydrophobicContact CD1-CD1 4.32Å; L523-I572 HydrophobicContact CD2-CG2 4.27Å; L526-I572 HydrophobicContact CD1-CD1 3.77Å; W538-I572 HydrophobicContact CH2-CD1 4.13Å; W538-I572 HydrophobicContact CH2-CG1 4.11Å; W538-I572 HydrophobicContact CH2-CG2 4.11Å; W538-I572 HydrophobicContact CZ2-CD1 3.71Å; W538-I572 HydrophobicContact CZ2-CG1 3.89Å; F554-I572 HydrophobicContact CD1-CG1 4.24Å; F554-I572 HydrophobicContact CE1-CG1 3.87Å; F554-I572 HydrophobicContact CE2-CG1 4.18Å; F554-I572 HydrophobicContact CZ-CG1 3.83Å; H568-I572 WeakPolarHBondContact O-CD1 3.26Å; H568-I572 VanDerWaalsContact O-CG1 3.27Å; H568-I572 WeakPolarHBondContact O-CG1 3.35Å; H568-I572 PolarHBondContact O-N 3.16Å; H568-I572 VanDerWaalsContact O-N 3.09Å; I569-I572 PolarHBondContact O-N 3.3Å; A570-I572 VanDerWaalsContact C-N 3.29Å; A570-I572 PolarHBondContact O-N 2.98Å; I572-L576 HydrophobicContact CG2-CD1 4.42Å; I572-L576 WeakPolarHBondContact O-CB 3.34Å; I572-L576 PolarHBondContact O-N 3.45Å; I572-L639 HydrophobicContact CG2-CD2 3.72Å
573	I	98.6	Very high	98.1	Very high	19 Å²	19	49.9 Å²	49.9	10%	0.097	24%	0.24	C	C	.	.	H	α-helix	trans	-72	-33.6	177.8	-65.5	164.1	0	0	0	111.9	I569 A570 L571 G577 V579 F594 L600 L606	I569-I573 HydrophobicContact CG2-CD1 3.9Å; I569-I573 VanDerWaalsContact O-CG1 3.26Å; I569-I573 WeakPolarHBondContact O-CG1 3.3Å; I569-I573 PolarHBondContact O-N 2.97Å; A570-I573 PolarHBondContact O-N 3.37Å; L571-I573 VanDerWaalsContact C-N 3.35Å; L571-I573 PolarHBondContact O-N 3.01Å; I573-G577 WeakPolarHBondContact CA-O 3.43Å; I573-G577 VanDerWaalsContact O-CA 3.26Å; I573-G577 WeakPolarHBondContact O-CA 3.43Å; I573-G577 PolarHBondContact O-N 3.04Å; I573-V579 HydrophobicContact CD1-CG2 4.04Å; I573-V579 HydrophobicContact CG1-CG2 3.85Å; I573-F594 HydrophobicContact CD1-CE1 4.43Å; I573-L600 HydrophobicContact CD1-CD1 4.19Å; I573-L600 HydrophobicContact CD1-CG 4.11Å; I573-L606 HydrophobicContact CB-CD1 4.24Å; I573-L606 HydrophobicContact CG2-CD1 3.62Å
574	E	98.6	Very high	98.1	Very high	46 Å²	46	48.6 Å²	48.6	22%	0.215	23%	0.229	C	C	.	.	H	α-helix	trans	-65.4	-38.5	175.6	-73	-178.6	161.7	0	0	112.1	A570 L571 L606 K607 P608 W609	A570-E574 WeakPolarHBondContact O-CG 3.42Å; A570-E574 PolarHBondContact O-N 3.3Å; L571-E574 PolarHBondContact O-N 3.14Å; E574-L606 HydrophobicContact CG-CB 4.03Å; E574-L606 HydrophobicContact CG-CD2 4.16Å; E574-L606 VanDerWaalsContact OE1-CA 3.29Å; E574-L606 WeakPolarHBondContact OE1-CA 3.1Å; E574-K607 PolarHBondContact OE1-N 3.48Å; E574-P608 CarbonylContact O-C 3.56Å; E574-P608 VanDerWaalsContact O-CA 3.24Å; E574-P608 WeakPolarHBondContact O-CA 3.43Å; E574-W609 PolarHBondContact O-N 2.77Å
575	L	98.6	Very high	98	Very high	25 Å²	25	48.6 Å²	48.6	13%	0.131	24%	0.242	C	C	.	.	H	α-helix	trans	-82.8	-40.8	179.5	-172.8	74.8	0	0	0	113.6	L553 F554 L571 L611	L553-L575 HydrophobicContact CD1-CD2 3.78Å; L553-L575 HydrophobicContact CD2-CD2 4.32Å; L553-L575 HydrophobicContact CG-CD2 4.19Å; F554-L575 HydrophobicContact CE1-CB 4.26Å; F554-L575 HydrophobicContact CE1-CD2 3.72Å; F554-L575 HydrophobicContact CZ-CD2 3.71Å; L571-L575 PolarHBondContact O-N 3.02Å; L571-L575 VanDerWaalsContact O-N 3.09Å; L575-L611 HydrophobicContact CD1-CB 3.96Å; L575-L611 HydrophobicContact CD1-CD1 4.41Å
576	L	98.3	Very high	98	Very high	43 Å²	43	49.4 Å²	49.4	23%	0.225	26%	0.255	C	S	.	.	H	α-helix	trans	-120.6	-3.8	-164.2	-55.8	169.3	0	0	0	114.2	W538 F554 I572 L634 L637 L639	W538-L576 HydrophobicContact CH2-CD1 3.79Å; W538-L576 HydrophobicContact CZ3-CD1 4.11Å; F554-L576 HydrophobicContact CZ-CD1 4.44Å; I572-L576 HydrophobicContact CG2-CD1 4.42Å; I572-L576 WeakPolarHBondContact O-CB 3.34Å; I572-L576 PolarHBondContact O-N 3.45Å; L576-L634 HydrophobicContact CD2-CD2 3.71Å; L576-L637 HydrophobicContact CD1-CB 3.96Å; L576-L637 HydrophobicContact CD2-CB 4.11Å; L576-L637 HydrophobicContact CD2-CD1 4.42Å; L576-L639 HydrophobicContact CB-CD2 4.06Å; L576-L639 HydrophobicContact CB-CG 4.47Å; L576-L639 HydrophobicContact CD1-CD2 3.72Å
577	G	97.5	Very high	97.9	Very high	33 Å²	33	49.8 Å²	49.8	34%	0.34	26%	0.259	S	S	.	.			trans	85	-173.5	179.2	0	0	0	0	0	114.8	I573 V579	I573-G577 WeakPolarHBondContact CA-O 3.43Å; I573-G577 VanDerWaalsContact O-CA 3.26Å; I573-G577 WeakPolarHBondContact O-CA 3.43Å; I573-G577 PolarHBondContact O-N 3.04Å; G577-V579 PolarHBondContact O-N 2.94Å
578	K	97.3	Very high	97.9	Very high	150 Å²	150	54.7 Å²	54.7	65%	0.652	28%	0.28	S	S	*	.	P	Polyproline II helix	trans	-66	132.4	-168.6	-68.7	-159.2	177	-164.1	0	113.3	D599	K578-D599 IonicContact NZ-OD1 2.63Å; K578-D599 PolarHBondContact NZ-OD1 3.24Å
579	V	98.3	Very high	97.8	Very high	9 Å²	9	58.2 Å²	58.2	6%	0.055	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-57.6	128.6	174.7	-176.5	0	0	0	0	111.2	L523 I569 I573 G577 R581 L583 I584 F594	L523-V579 HydrophobicContact CD1-CG2 4.43Å; L523-V579 HydrophobicContact CD2-CB 4.4Å; L523-V579 HydrophobicContact CD2-CG1 3.83Å; L523-V579 HydrophobicContact CD2-CG2 3.74Å; I569-V579 HydrophobicContact CG2-CG2 4.48Å; I573-V579 HydrophobicContact CD1-CG2 4.04Å; I573-V579 HydrophobicContact CG1-CG2 3.85Å; G577-V579 PolarHBondContact O-N 2.94Å; V579-R581 PolarHBondContact O-N 3.44Å; V579-L583 HydrophobicContact CG1-CB 4.4Å; V579-L583 HydrophobicContact CG1-CD2 4.09Å; V579-L583 HydrophobicContact CG1-CG 4.37Å; V579-I584 HydrophobicContact CB-CD1 4.16Å; V579-I584 HydrophobicContact CB-CG1 4.08Å; V579-I584 HydrophobicContact CG1-CD1 4.28Å; V579-I584 HydrophobicContact CG1-CG1 3.64Å; V579-F594 HydrophobicContact CB-CE1 4.31Å; V579-F594 HydrophobicContact CB-CZ 4.2Å; V579-F594 HydrophobicContact CG1-CZ 4.42Å; V579-F594 HydrophobicContact CG2-CE1 4.25Å; V579-F594 HydrophobicContact CG2-CZ 3.99Å
580	P	97.8	Very high	97.8	Very high	47 Å²	47	58.6 Å²	58.6	31%	0.305	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-60.5	130.9	179.7	-27.3	36.4	0	0	0	112.9	K582 L583 I584 V640	P580-K582 PolarHBondContact O-N 3.36Å; P580-L583 WeakPolarHBondContact O-CB 3.31Å; P580-L583 PolarHBondContact O-N 3.32Å; P580-I584 PolarHBondContact O-N 2.85Å; P580-V640 HydrophobicContact CB-CG2 4.39Å; P580-V640 HydrophobicContact CG-CG2 3.88Å
581	R	96.5	Very high	97.7	Very high	184 Å²	184	66.5 Å²	66.5	69%	0.694	33%	0.33	S	S	*	.	H	α-helix	trans	-54.5	-31	-176.4	-170.5	178.9	-178.9	-157.4	0.3	114.4	V579 V585	V579-R581 PolarHBondContact O-N 3.44Å; R581-V585 VanDerWaalsContact O-CG2 3.31Å; R581-V585 WeakPolarHBondContact O-CG2 3.45Å; R581-V585 PolarHBondContact O-N 3.48Å; R581-V585 VanDerWaalsContact O-N 3.08Å
582	K	96.1	Very high	97.6	Very high	193 Å²	193	69.7 Å²	69.7	84%	0.839	34%	0.344	S	S	*	.	H	α-helix	trans	-60.8	-43.9	174.4	-71.6	-172.8	176.2	-175.2	0	111.9	P580 V585 A586	P580-K582 PolarHBondContact O-N 3.36Å; K582-V585 PolarHBondContact O-N 3.11Å; K582-A586 PolarHBondContact O-N 3.48Å; K582-A586 VanDerWaalsContact O-N 3.1Å
583	L	96.8	Very high	97.5	Very high	18 Å²	18	70.2 Å²	70.2	9%	0.094	35%	0.346	C	S	.	.	H	α-helix	trans	-69.6	-42.1	-179.9	-177.6	59.7	0	0	0	111.2	L523 I527 A529 V579 P580 V585 A586 G587 L639	L523-L583 HydrophobicContact CD2-CD2 3.95Å; L523-L583 HydrophobicContact CG-CD2 4.44Å; I527-L583 HydrophobicContact CD1-CD1 3.91Å; I527-L583 HydrophobicContact CD1-CG 3.67Å; I527-L583 WeakPolarHBondContact CD1-O 3.43Å; A529-L583 HydrophobicContact CB-CD1 3.77Å; V579-L583 HydrophobicContact CG1-CB 4.4Å; V579-L583 HydrophobicContact CG1-CD2 4.09Å; V579-L583 HydrophobicContact CG1-CG 4.37Å; P580-L583 WeakPolarHBondContact O-CB 3.31Å; P580-L583 PolarHBondContact O-N 3.32Å; L583-V585 VanDerWaalsContact C-N 3.26Å; L583-V585 PolarHBondContact O-N 2.87Å; L583-A586 PolarHBondContact O-N 3.3Å; L583-A586 VanDerWaalsContact O-N 3.12Å; L583-G587 PolarHBondContact O-N 3.43Å; L583-G587 VanDerWaalsContact O-N 3.07Å; L583-L639 WeakPolarHBondContact CD2-O 3.48Å
584	I	97.8	Very high	97.5	Very high	19 Å²	19	69.7 Å²	69.7	10%	0.097	34%	0.343	C	S	.	.	H	α-helix	trans	-56.3	-41.6	171.9	-56.6	179	0	0	0	111	V579 P580 S590 F594	V579-I584 HydrophobicContact CB-CD1 4.16Å; V579-I584 HydrophobicContact CB-CG1 4.08Å; V579-I584 HydrophobicContact CG1-CD1 4.28Å; V579-I584 HydrophobicContact CG1-CG1 3.64Å; P580-I584 PolarHBondContact O-N 2.85Å; I584-S590 WeakPolarHBondContact O-CB 3.27Å; I584-S590 PolarHBondContact O-OG 2.83Å; I584-F594 HydrophobicContact CD1-CD1 3.82Å; I584-F594 HydrophobicContact CD1-CE1 3.91Å; I584-F594 HydrophobicContact CD1-CG 4.21Å; I584-F594 HydrophobicContact CD1-CZ 4.37Å; I584-F594 HydrophobicContact CG1-CD1 4.38Å; I584-F594 HydrophobicContact CG1-CD2 4.42Å; I584-F594 HydrophobicContact CG1-CE1 4.28Å; I584-F594 HydrophobicContact CG1-CE2 4.33Å; I584-F594 HydrophobicContact CG1-CG 4.44Å; I584-F594 HydrophobicContact CG1-CZ 4.24Å; I584-F594 HydrophobicContact CG2-CB 3.89Å; I584-F594 HydrophobicContact CG2-CD1 4.46Å; I584-F594 HydrophobicContact CG2-CD2 3.81Å; I584-F594 HydrophobicContact CG2-CE2 4.46Å; I584-F594 HydrophobicContact CG2-CG 3.81Å
585	V	97.1	Very high	97.5	Very high	115 Å²	115	69.9 Å²	69.9	70%	0.697	35%	0.347	S	S	*	.	H	α-helix	trans	-72.8	-26.4	179.9	170.3	0	0	0	0	112.9	R581 K582 L583	R581-V585 VanDerWaalsContact O-CG2 3.31Å; R581-V585 WeakPolarHBondContact O-CG2 3.45Å; R581-V585 PolarHBondContact O-N 3.48Å; R581-V585 VanDerWaalsContact O-N 3.08Å; K582-V585 PolarHBondContact O-N 3.11Å; L583-V585 VanDerWaalsContact C-N 3.26Å; L583-V585 PolarHBondContact O-N 2.87Å
586	A	96.8	Very high	97.3	Very high	62 Å²	62	78.7 Å²	78.7	51%	0.512	39%	0.385	S	S	.	.	H	α-helix	trans	-77.2	-31.8	175	0	0	0	0	0	113.2	A529 K582 L583 K588	A529-A586 HydrophobicContact CB-CB 4.1Å; K582-A586 PolarHBondContact O-N 3.48Å; K582-A586 VanDerWaalsContact O-N 3.1Å; L583-A586 PolarHBondContact O-N 3.3Å; L583-A586 VanDerWaalsContact O-N 3.12Å; A586-K588 PolarHBondContact O-N 2.9Å
587	G	97.5	Very high	97.1	Very high	10 Å²	10	85 Å²	85	10%	0.103	41%	0.41	C	S	.	.			trans	-66.7	120.8	-176.8	0	0	0	0	0	114.7	I527 L583 Y589 S590	I527-G587 CarbonylContact O-C 3.59Å; I527-G587 WeakPolarHBondContact O-CA 3.37Å; L583-G587 PolarHBondContact O-N 3.43Å; L583-G587 VanDerWaalsContact O-N 3.07Å; G587-Y589 VanDerWaalsContact C-N 3.31Å; G587-Y589 PolarHBondContact O-N 3.45Å; G587-S590 WeakPolarHBondContact CA-OG 3.49Å; G587-S590 WeakPolarHBondContact O-CB 3.41Å; G587-S590 PolarHBondContact O-N 2.95Å; G587-S590 PolarHBondContact O-OG 3.15Å
588	K	97.9	Very high	97	Very high	127 Å²	127	84.2 Å²	84.2	55%	0.552	40%	0.402	S	S	*	.	S	Bend	trans	-52.6	-44.2	173.7	-179.3	-177.6	173.3	-164.8	0	112.7	I527 G528 A586	I527-K588 PolarHBondContact O-N 2.73Å; I527-K588 VanDerWaalsContact O-N 3.08Å; G528-K588 VanDerWaalsContact O-CB 3.27Å; G528-K588 WeakPolarHBondContact O-CB 3.39Å; G528-K588 PolarHBondContact O-N 3.04Å; A586-K588 PolarHBondContact O-N 2.9Å
589	Y	97.6	Very high	97	Very high	74 Å²	74	79.9 Å²	79.9	29%	0.29	39%	0.386	S	S	.	.	S	Bend	trans	-92.8	-6.4	-176.4	-48.5	-56.7	0	0	0	113.1	I527 G587 K591 E592	I527-Y589 PolarHBondContact O-N 3.27Å; G587-Y589 VanDerWaalsContact C-N 3.31Å; G587-Y589 PolarHBondContact O-N 3.45Å; Y589-K591 PolarHBondContact O-N 3.09Å; Y589-E592 WeakPolarHBondContact O-CB 3.48Å; Y589-E592 PolarHBondContact O-N 2.87Å
590	S	97.6	Very high	96.9	Very high	7 Å²	7	80 Å²	80	5%	0.049	39%	0.386	C	S	.	.	H	α-helix	trans	-53.5	-23.7	-177.6	-66.5	0	0	0	0	115.1	I584 G587 E592 F594	I584-S590 WeakPolarHBondContact O-CB 3.27Å; I584-S590 PolarHBondContact O-OG 2.83Å; G587-S590 WeakPolarHBondContact CA-OG 3.49Å; G587-S590 WeakPolarHBondContact O-CB 3.41Å; G587-S590 PolarHBondContact O-N 2.95Å; G587-S590 PolarHBondContact O-OG 3.15Å; S590-E592 PolarHBondContact O-N 2.75Å; S590-F594 WeakPolarHBondContact O-CB 3.31Å; S590-F594 PolarHBondContact O-N 2.98Å
591	K	97.1	Very high	96.9	Very high	170 Å²	170	83.5 Å²	83.5	74%	0.739	39%	0.393	S	S	*	.	H	α-helix	trans	-65.8	-25.6	176.2	-67.9	176.7	-173.8	165.2	0	112.9	Y589 R601	Y589-K591 PolarHBondContact O-N 3.09Å; K591-R601 PolarHBondContact O-NE 3.33Å; K591-R601 PolarHBondContact O-NH2 2.72Å
592	E	97.1	Very high	97	Very high	113 Å²	113	79.3 Å²	79.3	53%	0.528	38%	0.381	S	S	.	.	H	α-helix	trans	-79.6	-34.6	-178	-64.4	161.5	-127.2	0	0	111.5	Y589 S590 R601	Y589-E592 WeakPolarHBondContact O-CB 3.48Å; Y589-E592 PolarHBondContact O-N 2.87Å; S590-E592 PolarHBondContact O-N 2.75Å; E592-R601 WeakPolarHBondContact O-CD 3.45Å
593	F	97.8	Very high	97	Very high	11 Å²	11	71.3 Å²	71.3	5%	0.048	35%	0.348	C	S	.	.	H	α-helix	trans	-99.4	-36.6	-176.1	-43.8	-52.2	0	0	0	113.7	I527 D565 E566 I569 L600 R601	I527-F593 HydrophobicContact CG2-CD2 4.49Å; D565-F593 HydrophobicContact CB-CE1 3.87Å; D565-F593 HydrophobicContact CB-CZ 3.75Å; E566-F593 HydrophobicContact CB-CD1 3.96Å; E566-F593 HydrophobicContact CG-CB 4.43Å; E566-F593 HydrophobicContact CG-CD1 4.43Å; I569-F593 HydrophobicContact CD1-CB 4Å; I569-F593 HydrophobicContact CD1-CD1 4.42Å; I569-F593 HydrophobicContact CD1-CD2 3.41Å; I569-F593 VanDerWaalsContact CD1-CD2 3.41Å; I569-F593 HydrophobicContact CD1-CE2 3.98Å; I569-F593 HydrophobicContact CD1-CG 3.67Å; F593-L600 HydrophobicContact CB-CD2 4.26Å; F593-L600 CarbonylContact O-C 3.51Å; F593-L600 WeakPolarHBondContact O-CA 3.48Å; F593-R601 WeakPolarHBondContact O-CG 3.47Å; F593-R601 PolarHBondContact O-N 2.81Å
594	F	98.3	Very high	96.9	Very high	7 Å²	7	75.8 Å²	75.8	3%	0.031	38%	0.376	C	S	.	.	B	Isolated β-bridge	trans	-106.9	144.5	-170.7	-61.5	-83.6	0	0	0	114.4	I527 I569 I573 V579 I584 S590 G598 L600 R601	I527-F594 HydrophobicContact CG2-CE2 4Å; I569-F594 HydrophobicContact CD1-CE2 4.46Å; I569-F594 HydrophobicContact CG2-CE1 4.19Å; I569-F594 HydrophobicContact CG2-CE2 4.39Å; I569-F594 HydrophobicContact CG2-CZ 3.6Å; I573-F594 HydrophobicContact CD1-CE1 4.43Å; V579-F594 HydrophobicContact CB-CE1 4.31Å; V579-F594 HydrophobicContact CB-CZ 4.2Å; V579-F594 HydrophobicContact CG1-CZ 4.42Å; V579-F594 HydrophobicContact CG2-CE1 4.25Å; V579-F594 HydrophobicContact CG2-CZ 3.99Å; I584-F594 HydrophobicContact CD1-CD1 3.82Å; I584-F594 HydrophobicContact CD1-CE1 3.91Å; I584-F594 HydrophobicContact CD1-CG 4.21Å; I584-F594 HydrophobicContact CD1-CZ 4.37Å; I584-F594 HydrophobicContact CG1-CD1 4.38Å; I584-F594 HydrophobicContact CG1-CD2 4.42Å; I584-F594 HydrophobicContact CG1-CE1 4.28Å; I584-F594 HydrophobicContact CG1-CE2 4.33Å; I584-F594 HydrophobicContact CG1-CG 4.44Å; I584-F594 HydrophobicContact CG1-CZ 4.24Å; I584-F594 HydrophobicContact CG2-CB 3.89Å; I584-F594 HydrophobicContact CG2-CD1 4.46Å; I584-F594 HydrophobicContact CG2-CD2 3.81Å; I584-F594 HydrophobicContact CG2-CE2 4.46Å; I584-F594 HydrophobicContact CG2-CG 3.81Å; S590-F594 WeakPolarHBondContact O-CB 3.31Å; S590-F594 PolarHBondContact O-N 2.98Å; F594-G598 WeakPolarHBondContact CD1-O 3.46Å; F594-L600 HydrophobicContact CD1-CD2 4.03Å; F594-L600 HydrophobicContact CE1-CD2 3.84Å; F594-L600 HydrophobicContact CZ-CD2 4.3Å; F594-R601 PolarHBondContact O-NE 2.96Å
595	T	97.4	Very high	96.9	Very high	50 Å²	50	83.7 Å²	83.7	31%	0.307	41%	0.41	S	S	.	.			trans	-78.4	167.7	167.9	66.2	0	0	0	0	111.6	K597 G598 D599 R601	T595-K597 PolarHBondContact O-N 3.13Å; T595-K597 PolarHBondContact OG1-N 3.16Å; T595-G598 PolarHBondContact O-N 3.2Å; T595-D599 WeakPolarHBondContact CB-O 3.4Å; T595-D599 WeakPolarHBondContact CG2-O 3.3Å; T595-D599 PolarHBondContact N-O 3.16Å; T595-D599 PolarHBondContact OG1-N 3.16Å; T595-D599 PolarHBondContact OG1-O 3.1Å; T595-R601 HydrophobicContact CG2-CG 3.85Å
596	K	94.4	Very high	96.9	Very high	211 Å²	211	81 Å²	81	92%	0.917	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-15.6	173.9	-69	-176.4	178.7	178.4	0	114.5
597	K	94.8	Very high	96.9	Very high	175 Å²	175	84.8 Å²	84.8	76%	0.761	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-18.1	176.3	-67.8	-177.2	177.9	179.6	0	113.4	T595 D599	T595-K597 PolarHBondContact O-N 3.13Å; T595-K597 PolarHBondContact OG1-N 3.16Å; K597-D599 VanDerWaalsContact CB-OD2 3.23Å; K597-D599 WeakPolarHBondContact CB-OD2 3.36Å
598	G	94.8	Very high	96.9	Very high	16 Å²	16	89.5 Å²	89.5	17%	0.165	43%	0.425	C	S	.	.	S	Bend	trans	91.2	4.7	-170.6	0	0	0	0	0	114.3	F594 T595	F594-G598 WeakPolarHBondContact CD1-O 3.46Å; T595-G598 PolarHBondContact O-N 3.2Å
599	D	97.1	Very high	96.9	Very high	60 Å²	60	89 Å²	89	32%	0.321	42%	0.419	S	S	.	.	S	Bend	trans	-86.9	153.6	169.7	-50.5	-62.8	0	0	0	110.1	K578 T595 K597	K578-D599 IonicContact NZ-OD1 2.63Å; K578-D599 PolarHBondContact NZ-OD1 3.24Å; T595-D599 WeakPolarHBondContact CB-O 3.4Å; T595-D599 WeakPolarHBondContact CG2-O 3.3Å; T595-D599 PolarHBondContact N-O 3.16Å; T595-D599 PolarHBondContact OG1-N 3.16Å; T595-D599 PolarHBondContact OG1-O 3.1Å; K597-D599 VanDerWaalsContact CB-OD2 3.23Å; K597-D599 WeakPolarHBondContact CB-OD2 3.36Å
600	L	97.9	Very high	96.9	Very high	12 Å²	12	86.6 Å²	86.6	6%	0.063	42%	0.418	C	S	.	.	B	Isolated β-bridge	trans	-61.6	160.3	174.3	-70.2	-178.3	0	0	0	112.5	E566 I569 A570 I573 F593 F594 I603 L606	E566-L600 HydrophobicContact CG-CD1 4.32Å; E566-L600 HydrophobicContact CG-CD2 4.04Å; I569-L600 HydrophobicContact CB-CD2 4.46Å; I569-L600 HydrophobicContact CG2-CD2 3.84Å; A570-L600 HydrophobicContact CB-CD1 3.73Å; I573-L600 HydrophobicContact CD1-CD1 4.19Å; I573-L600 HydrophobicContact CD1-CG 4.11Å; F593-L600 HydrophobicContact CB-CD2 4.26Å; F593-L600 CarbonylContact O-C 3.51Å; F593-L600 WeakPolarHBondContact O-CA 3.48Å; F594-L600 HydrophobicContact CD1-CD2 4.03Å; F594-L600 HydrophobicContact CE1-CD2 3.84Å; F594-L600 HydrophobicContact CZ-CD2 4.3Å; L600-I603 HydrophobicContact CD1-CB 4.14Å; L600-L606 HydrophobicContact CD1-CD2 4.48Å
601	R	97	Very high	96.9	Very high	119 Å²	119	86.5 Å²	86.5	45%	0.449	42%	0.416	S	S	.	.	S	Bend	trans	-89.5	-50.6	-172.5	-80.3	166.4	168	-87.8	14.7	113.4	E566 K591 E592 F593 F594 T595	E566-R601 PolarHBondContact OE1-N 2.73Å; K591-R601 PolarHBondContact O-NE 3.33Å; K591-R601 PolarHBondContact O-NH2 2.72Å; E592-R601 WeakPolarHBondContact O-CD 3.45Å; F593-R601 WeakPolarHBondContact O-CG 3.47Å; F593-R601 PolarHBondContact O-N 2.81Å; F594-R601 PolarHBondContact O-NE 2.96Å; T595-R601 HydrophobicContact CG2-CG 3.85Å
602	H	97.9	Very high	96.9	Very high	96 Å²	96	81.5 Å²	81.5	44%	0.444	40%	0.395	S	S	.	.	S	Bend	trans	-105.5	-40.1	-171.7	-46.9	106.1	0	0	0	109.7	D561 E566 T604	D561-H602 WeakPolarHBondContact O-CB 3.23Å; D561-H602 VanDerWaalsContact O-CG 3.27Å; E566-H602 IonicContact OE1-CG 2.68Å; E566-H602 PolarHBondContact OE1-N 3.45Å; E566-H602 IonicContact OE1-ND1 2.84Å; E566-H602 IonicContact OE2-CE1 2.75Å; E566-H602 IonicContact OE2-CG 3.78Å; E566-H602 IonicContact OE2-ND1 2.74Å; E566-H602 PolarHBondContact OE2-ND1 3.41Å; H602-T604 PolarHBondContact O-N 3.41Å; H602-T604 VanDerWaalsContact O-N 3.16Å
603	I	96.9	Very high	97	Very high	26 Å²	26	79.4 Å²	79.4	13%	0.133	39%	0.387	C	S	.	.			trans	-84	93.5	177.4	-51.8	178.5	0	0	0	110.7	Y562 E566 D567 A570 L600 L606	Y562-I603 HydrophobicContact CD1-CD1 4.45Å; Y562-I603 HydrophobicContact CD1-CG1 4.01Å; Y562-I603 HydrophobicContact CD2-CD1 3.68Å; Y562-I603 HydrophobicContact CD2-CG1 4.12Å; Y562-I603 HydrophobicContact CE2-CD1 4.08Å; Y562-I603 HydrophobicContact CG-CD1 3.88Å; Y562-I603 HydrophobicContact CG-CG1 3.78Å; E566-I603 HydrophobicContact CB-CD1 4.43Å; E566-I603 HydrophobicContact CG-CD1 4.13Å; E566-I603 HydrophobicContact CG-CG1 4.33Å; E566-I603 PolarHBondContact OE1-N 3.45Å; D567-I603 VanDerWaalsContact CA-CD1 3.5Å; D567-I603 HydrophobicContact CB-CD1 4.06Å; A570-I603 HydrophobicContact CB-CB 4.38Å; A570-I603 HydrophobicContact CB-CD1 3.79Å; A570-I603 HydrophobicContact CB-CG2 3.9Å; L600-I603 HydrophobicContact CD1-CB 4.14Å; I603-L606 HydrophobicContact CG2-CD2 3.79Å
604	T	95.4	Very high	97	Very high	112 Å²	112	79.6 Å²	79.6	69%	0.687	39%	0.389	S	S	*	.			trans	-101	-13.1	-175.6	53.4	0	0	0	0	115.2	H602	H602-T604 PolarHBondContact O-N 3.41Å; H602-T604 VanDerWaalsContact O-N 3.16Å
605	K	96.1	Very high	97	Very high	185 Å²	185	79.2 Å²	79.2	80%	0.804	39%	0.388	S	S	*	.			trans	-114.2	64.2	-173.5	-67.6	-178.2	-178.9	174	0	112.2
606	L	96.8	Very high	97.1	Very high	58 Å²	58	78.6 Å²	78.6	30%	0.304	38%	0.383	S	S	.	.			trans	-68.9	151.4	176.7	-57.4	175.5	0	0	0	112	A570 I573 E574 L600 I603	A570-L606 HydrophobicContact CB-CD2 3.64Å; I573-L606 HydrophobicContact CB-CD1 4.24Å; I573-L606 HydrophobicContact CG2-CD1 3.62Å; E574-L606 HydrophobicContact CG-CB 4.03Å; E574-L606 HydrophobicContact CG-CD2 4.16Å; E574-L606 VanDerWaalsContact OE1-CA 3.29Å; E574-L606 WeakPolarHBondContact OE1-CA 3.1Å; L600-L606 HydrophobicContact CD1-CD2 4.48Å; I603-L606 HydrophobicContact CG2-CD2 3.79Å
607	K	97.1	Very high	97.2	Very high	141 Å²	141	74.9 Å²	74.9	61%	0.613	37%	0.37	S	S	*	.			trans	-126.3	85.3	178.6	-63.4	-176	178.9	-168.8	0	110.6	E574 W609	E574-K607 PolarHBondContact OE1-N 3.48Å; K607-W609 PolarHBondContact O-N 3.25Å
608	P	97.7	Very high	97.4	Very high	110 Å²	110	71 Å²	71	71%	0.714	35%	0.353	S	S	*	.			trans	-59.2	131.9	179.8	-23.8	34.6	0	0	0	112.3	E574	E574-P608 CarbonylContact O-C 3.56Å; E574-P608 VanDerWaalsContact O-CA 3.24Å; E574-P608 WeakPolarHBondContact O-CA 3.43Å
609	W	97.6	Very high	97.5	Very high	115 Å²	115	72.3 Å²	72.3	44%	0.436	35%	0.353	S	S	.	.			trans	-147.8	109.4	177.3	-162.1	15.1	0	0	0	107.8	E574 K607 V614 E617 K618	E574-W609 PolarHBondContact O-N 2.77Å; K607-W609 PolarHBondContact O-N 3.25Å; W609-V614 HydrophobicContact CB-CG2 4.11Å; W609-V614 HydrophobicContact CD2-CG2 3.5Å; W609-V614 HydrophobicContact CE3-CG2 3.86Å; W609-V614 HydrophobicContact CG-CG2 3.59Å; W609-E617 HydrophobicContact CZ2-CB 4.03Å; W609-E617 PolarHBondContact NE1-OE2 2.68Å; W609-K618 HydrophobicContact CH2-CB 3.92Å; W609-K618 HydrophobicContact CH2-CG 4.43Å; W609-K618 HydrophobicContact CZ2-CB 4.3Å
610	G	97.5	Very high	97.6	Very high	25 Å²	25	78 Å²	78	26%	0.258	38%	0.377	S	S	.	.			trans	-72	150.6	-171.4	0	0	0	0	0	112.5	F612 D613 V614	G610-F612 PolarHBondContact O-N 2.77Å; G610-F612 VanDerWaalsContact O-N 3.14Å; G610-D613 PolarHBondContact O-N 2.7Å; G610-V614 WeakPolarHBondContact O-CG2 3.44Å; G610-V614 PolarHBondContact O-N 3.36Å
611	L	98.1	Very high	97.6	Very high	4 Å²	4	79.1 Å²	79.1	2%	0.021	38%	0.381	C	S	.	.	H	α-helix	trans	-52.5	-39.4	-178.1	-179.1	60.1	0	0	0	113.5	F545 L553 L575 L615 L633 L634	F545-L611 HydrophobicContact CD2-CD1 3.9Å; F545-L611 HydrophobicContact CE2-CD1 3.78Å; L553-L611 HydrophobicContact CD1-CD1 4.32Å; L575-L611 HydrophobicContact CD1-CB 3.96Å; L575-L611 HydrophobicContact CD1-CD1 4.41Å; L611-L615 HydrophobicContact CD1-CD1 4.31Å; L611-L615 HydrophobicContact CD1-CG 4.47Å; L611-L615 HydrophobicContact CG-CD1 4.22Å; L611-L615 VanDerWaalsContact O-CG 3.27Å; L611-L615 WeakPolarHBondContact O-CG 3.3Å; L611-L615 PolarHBondContact O-N 3.33Å; L611-L633 HydrophobicContact CD2-CB 3.82Å; L611-L633 HydrophobicContact CD2-CD1 4.09Å; L611-L634 HydrophobicContact CB-CD2 4.44Å; L611-L634 HydrophobicContact CD2-CD2 4.29Å; L611-L634 HydrophobicContact CD2-CG 4.29Å
612	F	98.4	Very high	97.7	Very high	65 Å²	65	76 Å²	76	29%	0.285	38%	0.377	S	S	.	.	H	α-helix	trans	-63.5	-47.8	176.2	173.5	-98.5	0	0	0	112.1	G610 L615 V616 K623 A626 H627 S630	G610-F612 PolarHBondContact O-N 2.77Å; G610-F612 VanDerWaalsContact O-N 3.14Å; F612-L615 PolarHBondContact O-N 2.77Å; F612-V616 HydrophobicContact CE1-CG2 4.31Å; F612-V616 HydrophobicContact CE2-CG2 4.13Å; F612-V616 HydrophobicContact CZ-CG2 3.98Å; F612-V616 WeakPolarHBondContact O-CG2 3.24Å; F612-V616 PolarHBondContact O-N 2.93Å; F612-V616 VanDerWaalsContact O-N 3.12Å; F612-K623 HydrophobicContact CE2-CB 4.48Å; F612-K623 WeakPolarHBondContact CE2-O 3.45Å; F612-K623 HydrophobicContact CZ-CB 4.19Å; F612-K623 HydrophobicContact CZ-CG 4.25Å; F612-A626 HydrophobicContact CD2-CB 3.87Å; F612-A626 HydrophobicContact CE2-CB 3.89Å; F612-H627 HydrophobicContact CD2-CB 4.2Å; F612-H627 HydrophobicContact CE2-CB 3.94Å; F612-S630 WeakPolarHBondContact CA-OG 3.29Å; F612-S630 PolarHBondContact N-OG 3Å
613	D	98.3	Very high	97.7	Very high	70 Å²	70	78.3 Å²	78.3	37%	0.374	39%	0.386	S	S	.	.	H	α-helix	trans	-66.7	-40.8	-179	-48	-58.6	0	0	0	110.3	G610 L615 V616 E617	G610-D613 PolarHBondContact O-N 2.7Å; D613-L615 PolarHBondContact O-N 2.62Å; D613-V616 PolarHBondContact O-N 3.26Å; D613-E617 WeakPolarHBondContact O-CB 3.37Å; D613-E617 WeakPolarHBondContact O-CG 3.48Å; D613-E617 PolarHBondContact O-N 3.39Å
614	V	98.1	Very high	97.7	Very high	14 Å²	14	85 Å²	85	9%	0.085	42%	0.417	C	S	.	.	H	α-helix	trans	-56	-46.7	172.2	169.6	0	0	0	0	111.5	F545 W609 G610 K618 Y619	F545-V614 HydrophobicContact CZ-CG1 4.47Å; W609-V614 HydrophobicContact CB-CG2 4.11Å; W609-V614 HydrophobicContact CD2-CG2 3.5Å; W609-V614 HydrophobicContact CE3-CG2 3.86Å; W609-V614 HydrophobicContact CG-CG2 3.59Å; G610-V614 WeakPolarHBondContact O-CG2 3.44Å; G610-V614 PolarHBondContact O-N 3.36Å; V614-K618 HydrophobicContact CG1-CB 4.49Å; V614-K618 WeakPolarHBondContact O-CB 3.41Å; V614-K618 PolarHBondContact O-N 3.2Å; V614-Y619 HydrophobicContact CG1-CD2 4.29Å; V614-Y619 HydrophobicContact CG1-CE2 3.82Å
615	L	98.6	Very high	97.8	Very high	0 Å²	0	83.4 Å²	83.4	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-63.4	-42.4	179.6	-71.9	165.7	0	0	0	112.3	F545 T549 L611 F612 D613 Y619 E620 W621 A626 F629	F545-L615 HydrophobicContact CE2-CD2 4.17Å; T549-L615 HydrophobicContact CG2-CD2 4.22Å; L611-L615 HydrophobicContact CD1-CD1 4.31Å; L611-L615 HydrophobicContact CD1-CG 4.47Å; L611-L615 HydrophobicContact CG-CD1 4.22Å; L611-L615 VanDerWaalsContact O-CG 3.27Å; L611-L615 WeakPolarHBondContact O-CG 3.3Å; L611-L615 PolarHBondContact O-N 3.33Å; F612-L615 PolarHBondContact O-N 2.77Å; D613-L615 PolarHBondContact O-N 2.62Å; L615-Y619 HydrophobicContact CD2-CD2 4.3Å; L615-Y619 CarbonylContact O-C 3.58Å; L615-Y619 PolarHBondContact O-N 3.27Å; L615-E620 PolarHBondContact O-N 3.1Å; L615-W621 HydrophobicContact CB-CB 4.47Å; L615-W621 HydrophobicContact CD2-CD2 4.01Å; L615-W621 HydrophobicContact CD2-CE3 4.11Å; L615-W621 HydrophobicContact CD2-CH2 4.36Å; L615-W621 HydrophobicContact CD2-CZ2 4.27Å; L615-W621 HydrophobicContact CD2-CZ3 4.29Å; L615-W621 WeakPolarHBondContact O-CB 3.37Å; L615-W621 PolarHBondContact O-N 3.5Å; L615-W621 VanDerWaalsContact O-N 3.16Å; L615-A626 HydrophobicContact CB-CB 3.73Å; L615-A626 HydrophobicContact CD1-CB 4.37Å; L615-F629 HydrophobicContact CD1-CD1 3.86Å; L615-F629 HydrophobicContact CD2-CD1 4.21Å; L615-F629 HydrophobicContact CD2-CE1 4.5Å
616	V	98.4	Very high	97.9	Very high	36 Å²	36	74.6 Å²	74.6	22%	0.218	36%	0.363	C	S	.	.	H	α-helix	trans	-76.5	-42	-179.4	177.8	0	0	0	0	112.5	F612 D613 E620 K623 A626	F612-V616 HydrophobicContact CE1-CG2 4.31Å; F612-V616 HydrophobicContact CE2-CG2 4.13Å; F612-V616 HydrophobicContact CZ-CG2 3.98Å; F612-V616 WeakPolarHBondContact O-CG2 3.24Å; F612-V616 PolarHBondContact O-N 2.93Å; F612-V616 VanDerWaalsContact O-N 3.12Å; D613-V616 PolarHBondContact O-N 3.26Å; V616-E620 WeakPolarHBondContact O-CA 3.25Å; V616-E620 PolarHBondContact O-N 2.81Å; V616-K623 HydrophobicContact CG1-CG 4.37Å; V616-K623 HydrophobicContact CG2-CG 4.14Å; V616-A626 HydrophobicContact CG2-CB 3.59Å
617	E	98	Very high	98	Very high	134 Å²	134	77.6 Å²	77.6	63%	0.626	38%	0.375	S	S	*	.	H	α-helix	trans	-92.6	-28.6	-170.3	-62	-177.7	149.3	0	0	114.3	W609 D613	W609-E617 HydrophobicContact CZ2-CB 4.03Å; W609-E617 PolarHBondContact NE1-OE2 2.68Å; D613-E617 WeakPolarHBondContact O-CB 3.37Å; D613-E617 WeakPolarHBondContact O-CG 3.48Å; D613-E617 PolarHBondContact O-N 3.39Å
618	K	97.8	Very high	98	Very high	93 Å²	93	72.7 Å²	72.7	40%	0.404	36%	0.359	S	S	.	.	H	α-helix	trans	-95.5	-40.1	178.2	-172.5	-168.4	161.4	-165.5	0	112.6	D551 W609 V614	D551-K618 WeakPolarHBondContact OD2-CE 3.32Å; D551-K618 IonicContact OD2-NZ 3.59Å; D551-K618 PolarHBondContact OD2-NZ 3.31Å; W609-K618 HydrophobicContact CH2-CB 3.92Å; W609-K618 HydrophobicContact CH2-CG 4.43Å; W609-K618 HydrophobicContact CZ2-CB 4.3Å; V614-K618 HydrophobicContact CG1-CB 4.49Å; V614-K618 WeakPolarHBondContact O-CB 3.41Å; V614-K618 PolarHBondContact O-N 3.2Å
619	Y	97.9	Very high	98	Very high	44 Å²	44	67.5 Å²	67.5	17%	0.173	33%	0.325	C	S	.	.	S	Bend	trans	-109.5	2.9	-173.1	-55.5	-78.8	0	0	0	113.8	F545 T549 D551 V614 L615 W621	F545-Y619 HydrophobicContact CE1-CE2 4.49Å; F545-Y619 WeakPolarHBondContact CE1-OH 3.14Å; F545-Y619 HydrophobicContact CE2-CE2 4.13Å; F545-Y619 AromaticContact CZ-CE2 3.63Å; F545-Y619 HydrophobicContact CZ-CE2 3.63Å; F545-Y619 AromaticContact CZ-CZ 3.86Å; F545-Y619 VanDerWaalsContact CZ-OH 3.3Å; F545-Y619 WeakPolarHBondContact CZ-OH 3.32Å; T549-Y619 HydrophobicContact CG2-CD1 4.21Å; T549-Y619 HydrophobicContact CG2-CD2 4.13Å; T549-Y619 HydrophobicContact CG2-CE1 4.09Å; T549-Y619 HydrophobicContact CG2-CE2 3.95Å; T549-Y619 HydrophobicContact CG2-CG 4.21Å; D551-Y619 HydrophobicContact CB-CE1 4.35Å; D551-Y619 VanDerWaalsContact CB-OH 3.3Å; D551-Y619 WeakPolarHBondContact CB-OH 3.23Å; D551-Y619 PolarHBondContact OD2-OH 3.06Å; V614-Y619 HydrophobicContact CG1-CD2 4.29Å; V614-Y619 HydrophobicContact CG1-CE2 3.82Å; L615-Y619 HydrophobicContact CD2-CD2 4.3Å; L615-Y619 CarbonylContact O-C 3.58Å; L615-Y619 PolarHBondContact O-N 3.27Å; Y619-W621 PolarHBondContact O-N 3.36Å; Y619-W621 VanDerWaalsContact O-N 3.16Å
620	E	98.2	Very high	98.1	Very high	178 Å²	178	62.2 Å²	62.2	83%	0.832	31%	0.306	S	S	*	.			trans	59.6	24.2	175.4	-53.8	-176.7	178.9	0	0	114.2	L615 V616	L615-E620 PolarHBondContact O-N 3.1Å; V616-E620 WeakPolarHBondContact O-CA 3.25Å; V616-E620 PolarHBondContact O-N 2.81Å
621	W	98.3	Very high	98.1	Very high	37 Å²	37	63.1 Å²	63.1	14%	0.14	31%	0.308	C	S	.	.			trans	-64.7	150.5	177.8	-77.6	30.1	0	0	0	112.1	Q187 A548 T549 L615 Y619 E625 A626 F629	Q187-W621 HydrophobicContact CG-CH2 4.19Å; A548-W621 HydrophobicContact CB-CH2 3.87Å; A548-W621 HydrophobicContact CB-CZ2 3.89Å; T549-W621 HydrophobicContact CG2-CZ2 4.33Å; L615-W621 HydrophobicContact CB-CB 4.47Å; L615-W621 HydrophobicContact CD2-CD2 4.01Å; L615-W621 HydrophobicContact CD2-CE3 4.11Å; L615-W621 HydrophobicContact CD2-CH2 4.36Å; L615-W621 HydrophobicContact CD2-CZ2 4.27Å; L615-W621 HydrophobicContact CD2-CZ3 4.29Å; L615-W621 WeakPolarHBondContact O-CB 3.37Å; L615-W621 PolarHBondContact O-N 3.5Å; L615-W621 VanDerWaalsContact O-N 3.16Å; Y619-W621 PolarHBondContact O-N 3.36Å; Y619-W621 VanDerWaalsContact O-N 3.16Å; W621-E625 HydrophobicContact CE3-CB 3.93Å; W621-E625 HydrophobicContact CZ3-CB 4.42Å; W621-A626 HydrophobicContact CB-CB 4.3Å; W621-F629 AromaticContact CH2-CD1 3.45Å; W621-F629 HydrophobicContact CH2-CD1 3.45Å; W621-F629 VanDerWaalsContact CH2-CD1 3.45Å; W621-F629 AromaticContact CH2-CE1 3.75Å; W621-F629 HydrophobicContact CH2-CE1 3.75Å; W621-F629 HydrophobicContact CH2-CG 4.12Å; W621-F629 HydrophobicContact CZ3-CB 3.78Å; W621-F629 AromaticContact CZ3-CD1 3.45Å; W621-F629 HydrophobicContact CZ3-CD1 3.45Å; W621-F629 VanDerWaalsContact CZ3-CD1 3.45Å; W621-F629 HydrophobicContact CZ3-CE1 4.23Å; W621-F629 AromaticContact CZ3-CG 3.88Å; W621-F629 HydrophobicContact CZ3-CG 3.88Å
622	S	98.4	Very high	98.2	Very high	52 Å²	52	63.1 Å²	63.1	36%	0.364	31%	0.308	S	S	.	.			trans	-62.9	148.1	169.4	79.4	0	0	0	0	110.7	E624 E625 A626	S622-E624 PolarHBondContact O-N 2.68Å; S622-E625 VanDerWaalsContact CB-OE2 3.22Å; S622-E625 WeakPolarHBondContact CB-OE2 3.47Å; S622-E625 PolarHBondContact N-OE2 3.08Å; S622-E625 PolarHBondContact O-N 3.01Å; S622-E625 WeakPolarHBondContact OG-CB 3.1Å; S622-E625 VanDerWaalsContact OG-CD 3.31Å; S622-E625 VanDerWaalsContact OG-CG 3.27Å; S622-E625 WeakPolarHBondContact OG-CG 3.49Å; S622-E625 PolarHBondContact OG-N 3.4Å; S622-E625 PolarHBondContact OG-OE2 3.42Å; S622-A626 VanDerWaalsContact O-CB 3.3Å; S622-A626 WeakPolarHBondContact O-CB 3.26Å; S622-A626 PolarHBondContact O-N 2.94Å
623	K	98.2	Very high	98.2	Very high	146 Å²	146	60 Å²	60	64%	0.635	29%	0.294	S	S	*	.	H	α-helix	trans	-62	-26.8	-179.8	-65.1	-174.4	178.7	-176.1	0	112.5	F612 V616 H627	F612-K623 HydrophobicContact CE2-CB 4.48Å; F612-K623 WeakPolarHBondContact CE2-O 3.45Å; F612-K623 HydrophobicContact CZ-CB 4.19Å; F612-K623 HydrophobicContact CZ-CG 4.25Å; V616-K623 HydrophobicContact CG1-CG 4.37Å; V616-K623 HydrophobicContact CG2-CG 4.14Å; K623-H627 WeakPolarHBondContact O-CB 3.29Å; K623-H627 PolarHBondContact O-N 2.97Å
624	E	97.6	Very high	98.2	Very high	167 Å²	167	60.5 Å²	60.5	78%	0.78	30%	0.296	S	S	*	.	H	α-helix	trans	-73.9	-47.2	179.1	-65.1	176.8	-165.7	0	0	110.9	S622 H627 S628	S622-E624 PolarHBondContact O-N 2.68Å; E624-H627 PolarHBondContact O-N 3.33Å; E624-S628 VanDerWaalsContact O-CB 3.23Å; E624-S628 WeakPolarHBondContact O-CB 3.28Å; E624-S628 PolarHBondContact O-N 2.96Å
625	E	96.6	Very high	98.2	Very high	77 Å²	77	62.6 Å²	62.6	36%	0.36	31%	0.31	S	S	.	.	H	α-helix	trans	-64.6	-46.2	174.6	-66.5	165.9	110.3	0	0	111.7	Q187 W621 S622 H627 S628 F629	Q187-E625 PolarHBondContact NE2-OE1 3.29Å; W621-E625 HydrophobicContact CE3-CB 3.93Å; W621-E625 HydrophobicContact CZ3-CB 4.42Å; S622-E625 VanDerWaalsContact CB-OE2 3.22Å; S622-E625 WeakPolarHBondContact CB-OE2 3.47Å; S622-E625 PolarHBondContact N-OE2 3.08Å; S622-E625 PolarHBondContact O-N 3.01Å; S622-E625 WeakPolarHBondContact OG-CB 3.1Å; S622-E625 VanDerWaalsContact OG-CD 3.31Å; S622-E625 VanDerWaalsContact OG-CG 3.27Å; S622-E625 WeakPolarHBondContact OG-CG 3.49Å; S622-E625 PolarHBondContact OG-N 3.4Å; S622-E625 PolarHBondContact OG-OE2 3.42Å; E625-H627 VanDerWaalsContact C-N 3.31Å; E625-H627 PolarHBondContact O-N 3.24Å; E625-S628 PolarHBondContact O-N 3.16Å; E625-F629 WeakPolarHBondContact O-CB 3.35Å; E625-F629 PolarHBondContact O-N 2.63Å
626	A	98.4	Very high	98.3	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-60.4	-39.9	178.6	0	0	0	0	0	112.1	F612 L615 V616 W621 S622 S630	F612-A626 HydrophobicContact CD2-CB 3.87Å; F612-A626 HydrophobicContact CE2-CB 3.89Å; L615-A626 HydrophobicContact CB-CB 3.73Å; L615-A626 HydrophobicContact CD1-CB 4.37Å; V616-A626 HydrophobicContact CG2-CB 3.59Å; W621-A626 HydrophobicContact CB-CB 4.3Å; S622-A626 VanDerWaalsContact O-CB 3.3Å; S622-A626 WeakPolarHBondContact O-CB 3.26Å; S622-A626 PolarHBondContact O-N 2.94Å; A626-S630 WeakPolarHBondContact O-CB 3.49Å; A626-S630 PolarHBondContact O-N 3.46Å; A626-S630 PolarHBondContact O-OG 3.37Å
627	H	98.3	Very high	98.3	Very high	121 Å²	121	61 Å²	61	56%	0.56	30%	0.301	S	S	*	.	H	α-helix	trans	-69.8	-45.9	175.4	-172.8	80.8	0	0	0	111.8	F612 K623 E624 E625 F629 S630 S631	F612-H627 HydrophobicContact CD2-CB 4.2Å; F612-H627 HydrophobicContact CE2-CB 3.94Å; K623-H627 WeakPolarHBondContact O-CB 3.29Å; K623-H627 PolarHBondContact O-N 2.97Å; E624-H627 PolarHBondContact O-N 3.33Å; E625-H627 VanDerWaalsContact C-N 3.31Å; E625-H627 PolarHBondContact O-N 3.24Å; H627-F629 VanDerWaalsContact C-N 3.34Å; H627-F629 PolarHBondContact O-N 2.97Å; H627-S630 PolarHBondContact O-N 2.86Å; H627-S631 WeakPolarHBondContact O-CB 3.24Å; H627-S631 PolarHBondContact O-N 3.32Å; H627-S631 PolarHBondContact O-OG 3.37Å
628	S	97.9	Very high	98.3	Very high	39 Å²	39	56 Å²	56	27%	0.273	28%	0.278	S	S	.	.	H	α-helix	trans	-60.6	-41.1	179	-166.3	0	0	0	0	112.2	E624 E625 S631 F632	E624-S628 VanDerWaalsContact O-CB 3.23Å; E624-S628 WeakPolarHBondContact O-CB 3.28Å; E624-S628 PolarHBondContact O-N 2.96Å; E625-S628 PolarHBondContact O-N 3.16Å; S628-S631 PolarHBondContact O-OG 2.88Å; S628-F632 PolarHBondContact O-N 3.12Å
629	F	98.5	Very high	98.4	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-76.3	-39.6	176.5	-169.3	-138.9	0	0	0	113	A544 A548 L615 W621 E625 H627 S631 F632 L633 W655	A544-F629 HydrophobicContact CB-CE2 4.47Å; A544-F629 HydrophobicContact CB-CZ 4.49Å; A548-F629 HydrophobicContact CB-CE1 3.82Å; A548-F629 HydrophobicContact CB-CZ 3.75Å; L615-F629 HydrophobicContact CD1-CD1 3.86Å; L615-F629 HydrophobicContact CD2-CD1 4.21Å; L615-F629 HydrophobicContact CD2-CE1 4.5Å; W621-F629 AromaticContact CH2-CD1 3.45Å; W621-F629 HydrophobicContact CH2-CD1 3.45Å; W621-F629 VanDerWaalsContact CH2-CD1 3.45Å; W621-F629 AromaticContact CH2-CE1 3.75Å; W621-F629 HydrophobicContact CH2-CE1 3.75Å; W621-F629 HydrophobicContact CH2-CG 4.12Å; W621-F629 HydrophobicContact CZ3-CB 3.78Å; W621-F629 AromaticContact CZ3-CD1 3.45Å; W621-F629 HydrophobicContact CZ3-CD1 3.45Å; W621-F629 VanDerWaalsContact CZ3-CD1 3.45Å; W621-F629 HydrophobicContact CZ3-CE1 4.23Å; W621-F629 AromaticContact CZ3-CG 3.88Å; W621-F629 HydrophobicContact CZ3-CG 3.88Å; E625-F629 WeakPolarHBondContact O-CB 3.35Å; E625-F629 PolarHBondContact O-N 2.63Å; H627-F629 VanDerWaalsContact C-N 3.34Å; H627-F629 PolarHBondContact O-N 2.97Å; F629-S631 PolarHBondContact O-N 2.96Å; F629-F632 HydrophobicContact CD2-CD1 4.34Å; F629-F632 HydrophobicContact CE2-CD1 4.43Å; F629-F632 WeakPolarHBondContact O-CB 3.5Å; F629-F632 PolarHBondContact O-N 3.11Å; F629-L633 HydrophobicContact CD1-CD1 4.13Å; F629-L633 HydrophobicContact CD2-CD1 4.22Å; F629-L633 HydrophobicContact CD2-CG 4.1Å; F629-L633 HydrophobicContact CE1-CD1 3.71Å; F629-L633 HydrophobicContact CE2-CD1 3.81Å; F629-L633 HydrophobicContact CE2-CD2 4.06Å; F629-L633 HydrophobicContact CE2-CG 3.88Å; F629-L633 HydrophobicContact CG-CD1 4.39Å; F629-L633 HydrophobicContact CZ-CD1 3.55Å; F629-L633 HydrophobicContact CZ-CD2 4.42Å; F629-L633 HydrophobicContact CZ-CG 4.16Å; F629-L633 PolarHBondContact O-N 3.36Å; F629-W655 HydrophobicContact CD2-CD2 4.22Å; F629-W655 AromaticContact CD2-CE2 3.51Å; F629-W655 HydrophobicContact CD2-CH2 4Å; F629-W655 AromaticContact CD2-CZ2 3.4Å; F629-W655 HydrophobicContact CD2-CZ2 3.4Å; F629-W655 VanDerWaalsContact CD2-CZ2 3.4Å; F629-W655 AromaticContact CD2-NE1 3.78Å; F629-W655 AromaticContact CE2-CH2 3.73Å; F629-W655 HydrophobicContact CE2-CH2 3.73Å; F629-W655 AromaticContact CE2-CZ2 3.54Å; F629-W655 HydrophobicContact CE2-CZ2 3.54Å; F629-W655 HydrophobicContact CE2-CZ3 4.44Å; F629-W655 HydrophobicContact CG-CZ2 4.41Å
630	S	98.6	Very high	98.4	Very high	5 Å²	5	51.6 Å²	51.6	4%	0.035	26%	0.263	C	S	.	.	H	α-helix	trans	-62	-42.2	175.4	-63.6	0	0	0	0	112.3	F612 A626 H627 F632 L633 L634	F612-S630 WeakPolarHBondContact CA-OG 3.29Å; F612-S630 PolarHBondContact N-OG 3Å; A626-S630 WeakPolarHBondContact O-CB 3.49Å; A626-S630 PolarHBondContact O-N 3.46Å; A626-S630 PolarHBondContact O-OG 3.37Å; H627-S630 PolarHBondContact O-N 2.86Å; S630-F632 VanDerWaalsContact C-N 3.25Å; S630-F632 PolarHBondContact O-N 2.9Å; S630-L633 PolarHBondContact O-N 3.2Å; S630-L634 WeakPolarHBondContact O-CB 3.41Å; S630-L634 WeakPolarHBondContact O-CG 3.46Å; S630-L634 PolarHBondContact O-N 2.93Å
631	S	98.4	Very high	98.4	Very high	43 Å²	43	43.9 Å²	43.9	30%	0.301	23%	0.229	S	C	.	.	H	α-helix	trans	-64.1	-28.5	176.6	56	0	0	0	0	113.3	H627 S628 F629 P635	H627-S631 WeakPolarHBondContact O-CB 3.24Å; H627-S631 PolarHBondContact O-N 3.32Å; H627-S631 PolarHBondContact O-OG 3.37Å; S628-S631 PolarHBondContact O-OG 2.88Å; F629-S631 PolarHBondContact O-N 2.96Å; S631-P635 WeakPolarHBondContact O-CD 3.22Å; S631-P635 WeakPolarHBondContact O-CG 3.44Å
632	F	98.8	Very high	98.4	Very high	4 Å²	4	50 Å²	50	2%	0.018	26%	0.258	C	S	.	.	H	α-helix	trans	-75.3	-45.8	171.9	176.1	-114.7	0	0	0	113	I194 L198 S628 F629 S630 M636 C650 H653 W655 L656	I194-F632 HydrophobicContact CG2-CE1 3.97Å; I194-F632 HydrophobicContact CG2-CZ 3.83Å; L198-F632 HydrophobicContact CD1-CE2 4.37Å; L198-F632 HydrophobicContact CD1-CZ 3.93Å; S628-F632 PolarHBondContact O-N 3.12Å; F629-F632 HydrophobicContact CD2-CD1 4.34Å; F629-F632 HydrophobicContact CE2-CD1 4.43Å; F629-F632 WeakPolarHBondContact O-CB 3.5Å; F629-F632 PolarHBondContact O-N 3.11Å; S630-F632 VanDerWaalsContact C-N 3.25Å; S630-F632 PolarHBondContact O-N 2.9Å; F632-M636 HydrophobicContact CD1-SD 4.31Å; F632-M636 HydrophobicContact CE1-SD 3.81Å; F632-M636 HydrophobicContact CE2-SD 4.1Å; F632-M636 HydrophobicContact CZ-SD 3.7Å; F632-C650 HydrophobicContact CE2-CB 4.19Å; F632-H653 HydrophobicContact CD2-CB 3.8Å; F632-H653 AromaticContact CD2-CG 3.76Å; F632-H653 AromaticContact CD2-ND1 3.49Å; F632-H653 WeakPolarHBondContact CD2-ND1 3.33Å; F632-H653 HydrophobicContact CE2-CB 4.22Å; F632-H653 AromaticContact CG-ND1 3.95Å; F632-W655 HydrophobicContact CB-CB 3.87Å; F632-W655 HydrophobicContact CB-CD2 4.27Å; F632-W655 HydrophobicContact CB-CE3 4.39Å; F632-W655 HydrophobicContact CB-CG 4.03Å; F632-W655 AromaticContact CD1-CD2 3.88Å; F632-W655 HydrophobicContact CD1-CD2 3.88Å; F632-W655 AromaticContact CD1-CE3 3.3Å; F632-W655 HydrophobicContact CD1-CE3 3.3Å; F632-W655 HydrophobicContact CD1-CH2 4.45Å; F632-W655 AromaticContact CD1-CZ3 3.64Å; F632-W655 HydrophobicContact CD1-CZ3 3.64Å; F632-W655 HydrophobicContact CD2-CB 4.37Å; F632-W655 HydrophobicContact CD2-CE3 4.13Å; F632-W655 HydrophobicContact CE1-CD2 4.41Å; F632-W655 AromaticContact CE1-CE3 3.41Å; F632-W655 HydrophobicContact CE1-CE3 3.41Å; F632-W655 VanDerWaalsContact CE1-CE3 3.41Å; F632-W655 HydrophobicContact CE1-CH2 4.35Å; F632-W655 AromaticContact CE1-CZ3 3.37Å; F632-W655 HydrophobicContact CE1-CZ3 3.37Å; F632-W655 HydrophobicContact CE2-CE3 4.19Å; F632-W655 HydrophobicContact CG-CB 4.13Å; F632-W655 HydrophobicContact CG-CD2 4.05Å; F632-W655 AromaticContact CG-CE3 3.68Å; F632-W655 HydrophobicContact CG-CE3 3.68Å; F632-W655 HydrophobicContact CG-CG 4.24Å; F632-W655 HydrophobicContact CG-CZ3 4.45Å; F632-W655 AromaticContact CZ-CE3 3.85Å; F632-W655 HydrophobicContact CZ-CE3 3.85Å; F632-W655 AromaticContact CZ-CZ3 3.98Å; F632-W655 HydrophobicContact CZ-CZ3 3.98Å; F632-L656 HydrophobicContact CE2-CD1 3.96Å; F632-L656 HydrophobicContact CE2-CD2 4.22Å; F632-L656 HydrophobicContact CE2-CG 3.92Å; F632-L656 HydrophobicContact CZ-CD1 4.2Å; F632-L656 HydrophobicContact CZ-CD2 3.9Å; F632-L656 HydrophobicContact CZ-CG 4.12Å
633	L	98.8	Very high	98.4	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-78.2	-35.8	-174.4	-67.8	-174.1	0	0	0	114.2	A541 A544 F545 L611 F629 S630 M636 L637	A541-L633 HydrophobicContact CB-CD2 4.13Å; A544-L633 HydrophobicContact CB-CD2 3.87Å; F545-L633 HydrophobicContact CB-CD1 4.2Å; L611-L633 HydrophobicContact CD2-CB 3.82Å; L611-L633 HydrophobicContact CD2-CD1 4.09Å; F629-L633 HydrophobicContact CD1-CD1 4.13Å; F629-L633 HydrophobicContact CD2-CD1 4.22Å; F629-L633 HydrophobicContact CD2-CG 4.1Å; F629-L633 HydrophobicContact CE1-CD1 3.71Å; F629-L633 HydrophobicContact CE2-CD1 3.81Å; F629-L633 HydrophobicContact CE2-CD2 4.06Å; F629-L633 HydrophobicContact CE2-CG 3.88Å; F629-L633 HydrophobicContact CG-CD1 4.39Å; F629-L633 HydrophobicContact CZ-CD1 3.55Å; F629-L633 HydrophobicContact CZ-CD2 4.42Å; F629-L633 HydrophobicContact CZ-CG 4.16Å; F629-L633 PolarHBondContact O-N 3.36Å; S630-L633 PolarHBondContact O-N 3.2Å; L633-M636 HydrophobicContact CD2-SD 4.3Å; L633-M636 CarbonylContact O-C 3.6Å; L633-M636 WeakPolarHBondContact O-CA 3.39Å; L633-M636 WeakPolarHBondContact O-CB 3.16Å; L633-M636 PolarHBondContact O-N 3.42Å; L633-L637 HydrophobicContact CB-CD1 4.36Å; L633-L637 WeakPolarHBondContact O-CG 3.29Å; L633-L637 PolarHBondContact O-N 3.45Å
634	L	98.8	Very high	98.4	Very high	80 Å²	80	49.3 Å²	49.3	42%	0.419	24%	0.244	S	C	.	.	H	α-helix	trans	-60.3	-39.6	-175.2	-71.4	169	0	0	0	113.9	L576 L611 S630 M636 L637 D638	L576-L634 HydrophobicContact CD2-CD2 3.71Å; L611-L634 HydrophobicContact CB-CD2 4.44Å; L611-L634 HydrophobicContact CD2-CD2 4.29Å; L611-L634 HydrophobicContact CD2-CG 4.29Å; S630-L634 WeakPolarHBondContact O-CB 3.41Å; S630-L634 WeakPolarHBondContact O-CG 3.46Å; S630-L634 PolarHBondContact O-N 2.93Å; L634-M636 VanDerWaalsContact C-N 3.29Å; L634-M636 PolarHBondContact O-N 2.91Å; L634-L637 CarbonylContact O-C 3.55Å; L634-L637 PolarHBondContact O-N 3.13Å; L634-L637 VanDerWaalsContact O-N 3.14Å; L634-D638 PolarHBondContact O-N 2.88Å
635	P	98.8	Very high	98.5	Very high	58 Å²	58	41.9 Å²	41.9	38%	0.377	21%	0.211	S	C	.	.	H	α-helix	trans	-63.2	-30.1	170.3	-24.7	35.4	0	0	0	114.4	S631 L637 A645	S631-P635 WeakPolarHBondContact O-CD 3.22Å; S631-P635 WeakPolarHBondContact O-CG 3.44Å; P635-L637 VanDerWaalsContact C-N 3.28Å; P635-A645 HydrophobicContact CB-CB 3.91Å; P635-A645 PolarHBondContact O-N 2.72Å
636	M	98.9	Very high	98.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-77.5	-16.2	174.9	-59.6	175.8	67.7	0	0	112.6	L198 I537 T540 A541 F632 L633 L634 R644 C650	L198-M636 HydrophobicContact CD2-CE 4.23Å; I537-M636 HydrophobicContact CG2-CB 3.79Å; I537-M636 HydrophobicContact CG2-CE 3.97Å; I537-M636 HydrophobicContact CG2-CG 3.92Å; T540-M636 HydrophobicContact CG2-CE 3.87Å; A541-M636 HydrophobicContact CB-CB 3.72Å; A541-M636 HydrophobicContact CB-CE 4.15Å; F632-M636 HydrophobicContact CD1-SD 4.31Å; F632-M636 HydrophobicContact CE1-SD 3.81Å; F632-M636 HydrophobicContact CE2-SD 4.1Å; F632-M636 HydrophobicContact CZ-SD 3.7Å; L633-M636 HydrophobicContact CD2-SD 4.3Å; L633-M636 CarbonylContact O-C 3.6Å; L633-M636 WeakPolarHBondContact O-CA 3.39Å; L633-M636 WeakPolarHBondContact O-CB 3.16Å; L633-M636 PolarHBondContact O-N 3.42Å; L634-M636 VanDerWaalsContact C-N 3.29Å; L634-M636 PolarHBondContact O-N 2.91Å; M636-R644 WeakPolarHBondContact O-CD 3.3Å; M636-R644 VanDerWaalsContact O-CG 3.29Å; M636-R644 WeakPolarHBondContact O-CG 3.27Å; M636-C650 VanDerWaalsContact CG-SG 3.53Å
637	L	98.9	Very high	98.6	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.016	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	15.9	179.8	-67	171.4	0	0	0	112.9	W538 A541 L553 L576 L633 L634 P635 L639	W538-L637 HydrophobicContact CD2-CD2 3.96Å; W538-L637 HydrophobicContact CE3-CD2 3.9Å; W538-L637 HydrophobicContact CH2-CD2 4.38Å; W538-L637 HydrophobicContact CZ2-CD2 4.43Å; W538-L637 HydrophobicContact CZ3-CB 4.4Å; W538-L637 HydrophobicContact CZ3-CD2 4.12Å; W538-L637 WeakPolarHBondContact CZ3-O 3.34Å; A541-L637 HydrophobicContact CB-CD1 4.5Å; A541-L637 HydrophobicContact CB-CD2 3.72Å; A541-L637 HydrophobicContact CB-CG 3.84Å; L553-L637 HydrophobicContact CD2-CD1 3.88Å; L553-L637 HydrophobicContact CD2-CD2 4.16Å; L576-L637 HydrophobicContact CD1-CB 3.96Å; L576-L637 HydrophobicContact CD2-CB 4.11Å; L576-L637 HydrophobicContact CD2-CD1 4.42Å; L633-L637 HydrophobicContact CB-CD1 4.36Å; L633-L637 WeakPolarHBondContact O-CG 3.29Å; L633-L637 PolarHBondContact O-N 3.45Å; L634-L637 CarbonylContact O-C 3.55Å; L634-L637 PolarHBondContact O-N 3.13Å; L634-L637 VanDerWaalsContact O-N 3.14Å; P635-L637 VanDerWaalsContact C-N 3.28Å; L637-L639 PolarHBondContact O-N 3.41Å
638	D	98.8	Very high	98.6	Very high	28 Å²	28	37.9 Å²	37.9	15%	0.15	21%	0.206	C	C	.	.			trans	-58.3	127.4	174.1	-163	-47.7	0	0	0	109.9	L634 V640 R643 R644	L634-D638 PolarHBondContact O-N 2.88Å; D638-V640 PolarHBondContact O-N 3.3Å; D638-V640 PolarHBondContact OD1-N 3.07Å; D638-R643 HydrophobicContact CB-CB 4.45Å; D638-R643 IonicContact OD1-CZ 2.73Å; D638-R643 IonicContact OD1-NE 2.68Å; D638-R643 PolarHBondContact OD1-NE 3.37Å; D638-R643 IonicContact OD1-NH2 3.42Å; D638-R643 WeakPolarHBondContact OD2-CB 3.46Å; D638-R643 IonicContact OD2-CZ 3.03Å; D638-R643 IonicContact OD2-NE 3.83Å; D638-R643 PolarHBondContact OD2-NE 2.95Å; D638-R643 IonicContact OD2-NH2 3.92Å; D638-R643 PolarHBondContact OD2-NH2 3.43Å; D638-R644 HydrophobicContact CB-CB 4.14Å; D638-R644 HydrophobicContact CB-CG 4.48Å; D638-R644 PolarHBondContact O-NE 3.12Å; D638-R644 PolarHBondContact O-NH2 3.04Å
639	L	98.6	Very high	98.6	Very high	12 Å²	12	41.1 Å²	41.1	6%	0.063	22%	0.216	C	C	.	.	S	Bend	trans	-63.7	-25.2	-177.6	-56.9	-173.7	0	0	0	111.8	L523 W538 I572 L576 L583 L637 P641	L523-L639 HydrophobicContact CD2-CB 4.19Å; L523-L639 HydrophobicContact CD2-CD1 4.5Å; L523-L639 HydrophobicContact CD2-CD2 4.01Å; L523-L639 HydrophobicContact CD2-CG 4.46Å; W538-L639 HydrophobicContact CH2-CD2 4.08Å; W538-L639 HydrophobicContact CZ3-CD2 4.03Å; I572-L639 HydrophobicContact CG2-CD2 3.72Å; L576-L639 HydrophobicContact CB-CD2 4.06Å; L576-L639 HydrophobicContact CB-CG 4.47Å; L576-L639 HydrophobicContact CD1-CD2 3.72Å; L583-L639 WeakPolarHBondContact CD2-O 3.48Å; L637-L639 PolarHBondContact O-N 3.41Å; L639-P641 WeakPolarHBondContact O-CD 3.15Å
640	V	98.5	Very high	98.6	Very high	34 Å²	34	41.4 Å²	41.4	21%	0.206	22%	0.218	C	C	.	.	S	Bend	trans	-93.2	112.6	177.8	-179.7	0	0	0	0	109.5	P580 D638 E642 R643 R644	P580-V640 HydrophobicContact CB-CG2 4.39Å; P580-V640 HydrophobicContact CG-CG2 3.88Å; D638-V640 PolarHBondContact O-N 3.3Å; D638-V640 PolarHBondContact OD1-N 3.07Å; V640-E642 WeakPolarHBondContact CG1-OE2 3.4Å; V640-E642 PolarHBondContact O-N 3.41Å; V640-E642 VanDerWaalsContact O-N 3.14Å; V640-R643 HydrophobicContact CB-CB 4.16Å; V640-R643 HydrophobicContact CB-CG 4.22Å; V640-R643 HydrophobicContact CG1-CB 4.36Å; V640-R643 HydrophobicContact CG1-CG 4.09Å; V640-R643 PolarHBondContact O-N 2.68Å; V640-R644 PolarHBondContact O-N 2.97Å; V640-R644 VanDerWaalsContact O-N 3.15Å
641	P	98.4	Very high	98.6	Very high	16 Å²	16	43.7 Å²	43.7	10%	0.104	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-34.4	-175.1	-27.6	36.7	0	0	0	114.1	E524 P534 L639 R643 R644	E524-P641 HydrophobicContact CB-CG 3.86Å; E524-P641 HydrophobicContact CG-CG 3.75Å; P534-P641 HydrophobicContact CB-CB 4.11Å; P534-P641 HydrophobicContact CG-CB 4.19Å; P534-P641 VanDerWaalsContact CG-O 3.28Å; P534-P641 WeakPolarHBondContact CG-O 3.31Å; L639-P641 WeakPolarHBondContact O-CD 3.15Å; P641-R643 PolarHBondContact O-N 2.92Å; P641-R644 PolarHBondContact O-N 3.2Å
642	E	98.1	Very high	98.6	Very high	164 Å²	164	46.2 Å²	46.2	77%	0.766	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-9.4	-180	-52.9	78.4	-172.3	0	0	113.9	V640	V640-E642 WeakPolarHBondContact CG1-OE2 3.4Å; V640-E642 PolarHBondContact O-N 3.41Å; V640-E642 VanDerWaalsContact O-N 3.14Å
643	R	98.3	Very high	98.6	Very high	176 Å²	176	48.3 Å²	48.3	66%	0.664	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	-21.5	173.7	-74.9	171.6	34.6	144.9	-0.6	113.2	D638 V640 P641	D638-R643 HydrophobicContact CB-CB 4.45Å; D638-R643 IonicContact OD1-CZ 2.73Å; D638-R643 IonicContact OD1-NE 2.68Å; D638-R643 PolarHBondContact OD1-NE 3.37Å; D638-R643 IonicContact OD1-NH2 3.42Å; D638-R643 WeakPolarHBondContact OD2-CB 3.46Å; D638-R643 IonicContact OD2-CZ 3.03Å; D638-R643 IonicContact OD2-NE 3.83Å; D638-R643 PolarHBondContact OD2-NE 2.95Å; D638-R643 IonicContact OD2-NH2 3.92Å; D638-R643 PolarHBondContact OD2-NH2 3.43Å; V640-R643 HydrophobicContact CB-CB 4.16Å; V640-R643 HydrophobicContact CB-CG 4.22Å; V640-R643 HydrophobicContact CG1-CB 4.36Å; V640-R643 HydrophobicContact CG1-CG 4.09Å; V640-R643 PolarHBondContact O-N 2.68Å; P641-R643 PolarHBondContact O-N 2.92Å
644	R	98.8	Very high	98.5	Very high	8 Å²	8	52.4 Å²	52.4	3%	0.03	28%	0.283	C	S	.	.	S	Bend	trans	-59.8	139.6	-178.5	-165.5	178.5	-62.3	152.7	6.3	110.1	E524 P534 I537 M636 D638 V640 P641	E524-R644 IonicContact OE1-CZ 2.69Å; E524-R644 IonicContact OE1-NH1 2.71Å; E524-R644 PolarHBondContact OE1-NH1 2.84Å; E524-R644 IonicContact OE1-NH2 2.75Å; E524-R644 IonicContact OE2-CZ 3.74Å; E524-R644 IonicContact OE2-NH1 3.75Å; E524-R644 PolarHBondContact OE2-NH1 3.09Å; E524-R644 IonicContact OE2-NH2 3.08Å; E524-R644 PolarHBondContact OE2-NH2 3.06Å; P534-R644 HydrophobicContact CB-CB 4.26Å; P534-R644 VanDerWaalsContact O-CD 3.32Å; P534-R644 WeakPolarHBondContact O-CD 3.27Å; P534-R644 PolarHBondContact O-NH1 3.28Å; I537-R644 HydrophobicContact CG2-CG 4.37Å; M636-R644 WeakPolarHBondContact O-CD 3.3Å; M636-R644 VanDerWaalsContact O-CG 3.29Å; M636-R644 WeakPolarHBondContact O-CG 3.27Å; D638-R644 HydrophobicContact CB-CB 4.14Å; D638-R644 HydrophobicContact CB-CG 4.48Å; D638-R644 PolarHBondContact O-NE 3.12Å; D638-R644 PolarHBondContact O-NH2 3.04Å; V640-R644 PolarHBondContact O-N 2.97Å; V640-R644 VanDerWaalsContact O-N 3.15Å; P641-R644 PolarHBondContact O-N 3.2Å
645	A	98.8	Very high	98.4	Very high	11 Å²	11	48.6 Å²	48.6	9%	0.091	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-58.2	142.2	-177.1	0	0	0	0	0	111.8	I537 P635 Q649	I537-A645 WeakPolarHBondContact CG2-O 3.5Å; P635-A645 HydrophobicContact CB-CB 3.91Å; P635-A645 PolarHBondContact O-N 2.72Å; A645-Q649 HydrophobicContact CB-CB 4.41Å
646	T	98.9	Very high	98.3	Very high	68 Å²	68	46.2 Å²	46.2	42%	0.417	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-82.9	164.1	171.7	68.6	0	0	0	0	111.3	A648 Q649 C650	T646-A648 PolarHBondContact O-N 3.07Å; T646-Q649 WeakPolarHBondContact O-CB 3.44Å; T646-Q649 PolarHBondContact O-N 2.76Å; T646-Q649 WeakPolarHBondContact OG1-CG 3.18Å; T646-Q649 PolarHBondContact OG1-N 2.99Å; T646-C650 PolarHBondContact O-N 2.88Å; T646-C650 PolarHBondContact O-SG 3.42Å
647	A	98.8	Very high	97.4	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-55.7	-49.7	176.3	0	0	0	0	0	112.1	L198 L201 D202 I537 Q649 C650 L651	L198-A647 HydrophobicContact CD2-CB 4.38Å; L201-A647 HydrophobicContact CB-CB 4.15Å; D202-A647 HydrophobicContact CB-CB 3.67Å; I537-A647 HydrophobicContact CD1-CB 4.01Å; A647-Q649 VanDerWaalsContact C-N 3.31Å; A647-Q649 PolarHBondContact O-N 2.77Å; A647-C650 PolarHBondContact O-N 3.14Å; A647-C650 VanDerWaalsContact O-N 3.16Å; A647-L651 VanDerWaalsContact O-CG 3.32Å; A647-L651 WeakPolarHBondContact O-CG 3.32Å; A647-L651 PolarHBondContact O-N 3.12Å
648	A	98.5	Very high	96	Very high	47 Å²	47	55.9 Å²	55.9	39%	0.388	32%	0.315	S	S	.	.	H	α-helix	trans	-53.1	-40.4	170.9	0	0	0	0	0	114.6	D202 T646 L651 S652	D202-A648 WeakPolarHBondContact OD1-CB 3.21Å; D202-A648 PolarHBondContact OD1-N 3.27Å; T646-A648 PolarHBondContact O-N 3.07Å; A648-L651 PolarHBondContact O-N 2.9Å; A648-S652 PolarHBondContact O-N 3.38Å
649	Q	98.6	Very high	95.9	Very high	107 Å²	107	57.3 Å²	57.3	50%	0.5	32%	0.324	S	S	.	.	H	α-helix	trans	-67.2	-44.8	176.4	-74.2	170.3	-25.6	0	0	111.2	A645 T646 A647 L651 S652	A645-Q649 HydrophobicContact CB-CB 4.41Å; T646-Q649 WeakPolarHBondContact O-CB 3.44Å; T646-Q649 PolarHBondContact O-N 2.76Å; T646-Q649 WeakPolarHBondContact OG1-CG 3.18Å; T646-Q649 PolarHBondContact OG1-N 2.99Å; A647-Q649 VanDerWaalsContact C-N 3.31Å; A647-Q649 PolarHBondContact O-N 2.77Å; Q649-L651 VanDerWaalsContact C-N 3.31Å; Q649-L651 PolarHBondContact O-N 2.96Å; Q649-S652 PolarHBondContact O-N 2.78Å; Q649-S652 VanDerWaalsContact O-N 3.08Å; Q649-S652 PolarHBondContact O-OG 3.16Å
650	C	98.7	Very high	95.8	Very high	5 Å²	5	59.6 Å²	59.6	3%	0.034	34%	0.337	C	S	.	.	H	α-helix	trans	-61.1	-39.8	176.8	-59.1	0	0	0	0	111.7	L198 F632 M636 T646 A647 S652 H653 L656	L198-C650 HydrophobicContact CD1-CB 3.56Å; L198-C650 HydrophobicContact CD2-CB 3.92Å; L198-C650 HydrophobicContact CG-CB 4.34Å; F632-C650 HydrophobicContact CE2-CB 4.19Å; M636-C650 VanDerWaalsContact CG-SG 3.53Å; T646-C650 PolarHBondContact O-N 2.88Å; T646-C650 PolarHBondContact O-SG 3.42Å; A647-C650 PolarHBondContact O-N 3.14Å; A647-C650 VanDerWaalsContact O-N 3.16Å; C650-S652 PolarHBondContact O-N 3.3Å; C650-H653 VanDerWaalsContact O-CB 3.25Å; C650-H653 WeakPolarHBondContact O-CB 3.42Å; C650-H653 PolarHBondContact O-N 3.16Å; C650-L656 VanDerWaalsContact O-CD1 3.23Å; C650-L656 WeakPolarHBondContact O-CD1 3.19Å
651	L	98.4	Very high	95.6	Very high	53 Å²	53	61.1 Å²	61.1	28%	0.277	35%	0.345	S	S	.	.	H	α-helix	trans	-61.7	-23.2	175.4	-72.3	170.8	0	0	0	113.9	R195 L198 Q199 D202 A647 A648 Q649 L656	R195-L651 HydrophobicContact CG-CD2 4.49Å; R195-L651 VanDerWaalsContact O-CD2 3.32Å; R195-L651 WeakPolarHBondContact O-CD2 3.23Å; L198-L651 HydrophobicContact CB-CD1 4.5Å; L198-L651 HydrophobicContact CB-CD2 3.66Å; L198-L651 HydrophobicContact CB-CG 3.87Å; Q199-L651 HydrophobicContact CG-CD1 4.16Å; Q199-L651 HydrophobicContact CG-CD2 3.91Å; D202-L651 HydrophobicContact CB-CD1 4.28Å; A647-L651 VanDerWaalsContact O-CG 3.32Å; A647-L651 WeakPolarHBondContact O-CG 3.32Å; A647-L651 PolarHBondContact O-N 3.12Å; A648-L651 PolarHBondContact O-N 2.9Å; Q649-L651 VanDerWaalsContact C-N 3.31Å; Q649-L651 PolarHBondContact O-N 2.96Å; L651-L656 HydrophobicContact CD2-CD1 4.42Å
652	S	97.7	Very high	95.4	Very high	96 Å²	96	63.7 Å²	63.7	67%	0.671	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-3.7	174.4	73.9	0	0	0	0	114.3	A648 Q649 C650	A648-S652 PolarHBondContact O-N 3.38Å; Q649-S652 PolarHBondContact O-N 2.78Å; Q649-S652 VanDerWaalsContact O-N 3.08Å; Q649-S652 PolarHBondContact O-OG 3.16Å; C650-S652 PolarHBondContact O-N 3.3Å
653	H	98.3	Very high	95.3	Very high	49 Å²	49	57.4 Å²	57.4	23%	0.227	33%	0.333	C	S	.	.	S	Bend	trans	-78.2	132.4	-173.6	-165.8	-99.4	0	0	0	112.7	F632 C650 W655 L656	F632-H653 HydrophobicContact CD2-CB 3.8Å; F632-H653 AromaticContact CD2-CG 3.76Å; F632-H653 AromaticContact CD2-ND1 3.49Å; F632-H653 WeakPolarHBondContact CD2-ND1 3.33Å; F632-H653 HydrophobicContact CE2-CB 4.22Å; F632-H653 AromaticContact CG-ND1 3.95Å; C650-H653 VanDerWaalsContact O-CB 3.25Å; C650-H653 WeakPolarHBondContact O-CB 3.42Å; C650-H653 PolarHBondContact O-N 3.16Å; H653-W655 WeakPolarHBondContact ND1-CB 3.47Å; H653-W655 PolarHBondContact ND1-N 3.39Å; H653-W655 PolarHBondContact O-N 3.46Å; H653-L656 PolarHBondContact O-N 2.94Å; H653-L656 VanDerWaalsContact O-N 3.07Å
654	P	97.2	Very high	95.1	Very high	85 Å²	85	49.5 Å²	49.5	55%	0.552	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-55.5	-24.8	-174.9	-29.4	36.1	0	0	0	116.1	L656 S657 S658	P654-L656 VanDerWaalsContact C-N 3.26Å; P654-L656 PolarHBondContact O-N 3.27Å; P654-S657 WeakPolarHBondContact CA-OG 3.22Å; P654-S657 PolarHBondContact O-N 3.47Å; P654-S657 VanDerWaalsContact O-N 3.12Å; P654-S657 PolarHBondContact O-OG 3.19Å; P654-S658 PolarHBondContact O-N 3.28Å; P654-S658 VanDerWaalsContact O-N 3.13Å; P654-S658 PolarHBondContact O-OG 3.5Å
655	W	97.7	Very high	94.8	Very high	1 Å²	1	52.5 Å²	52.5	0%	0.004	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-59.7	-31.6	177	-175.5	81.7	0	0	0	113.4	V190 K191 F629 F632 H653 S657 S658	V190-W655 HydrophobicContact CG1-CH2 4.22Å; K191-W655 HydrophobicContact CB-CH2 4.36Å; K191-W655 HydrophobicContact CB-CZ3 4.46Å; K191-W655 VanDerWaalsContact CD-O 3.29Å; K191-W655 WeakPolarHBondContact CD-O 3.36Å; K191-W655 WeakPolarHBondContact CE-O 3.27Å; K191-W655 HydrophobicContact CG-CD2 4.02Å; K191-W655 HydrophobicContact CG-CE3 4.1Å; K191-W655 HydrophobicContact CG-CH2 3.63Å; K191-W655 HydrophobicContact CG-CZ2 3.53Å; K191-W655 HydrophobicContact CG-CZ3 3.92Å; F629-W655 HydrophobicContact CD2-CD2 4.22Å; F629-W655 AromaticContact CD2-CE2 3.51Å; F629-W655 HydrophobicContact CD2-CH2 4Å; F629-W655 AromaticContact CD2-CZ2 3.4Å; F629-W655 HydrophobicContact CD2-CZ2 3.4Å; F629-W655 VanDerWaalsContact CD2-CZ2 3.4Å; F629-W655 AromaticContact CD2-NE1 3.78Å; F629-W655 AromaticContact CE2-CH2 3.73Å; F629-W655 HydrophobicContact CE2-CH2 3.73Å; F629-W655 AromaticContact CE2-CZ2 3.54Å; F629-W655 HydrophobicContact CE2-CZ2 3.54Å; F629-W655 HydrophobicContact CE2-CZ3 4.44Å; F629-W655 HydrophobicContact CG-CZ2 4.41Å; F632-W655 HydrophobicContact CB-CB 3.87Å; F632-W655 HydrophobicContact CB-CD2 4.27Å; F632-W655 HydrophobicContact CB-CE3 4.39Å; F632-W655 HydrophobicContact CB-CG 4.03Å; F632-W655 AromaticContact CD1-CD2 3.88Å; F632-W655 HydrophobicContact CD1-CD2 3.88Å; F632-W655 AromaticContact CD1-CE3 3.3Å; F632-W655 HydrophobicContact CD1-CE3 3.3Å; F632-W655 HydrophobicContact CD1-CH2 4.45Å; F632-W655 AromaticContact CD1-CZ3 3.64Å; F632-W655 HydrophobicContact CD1-CZ3 3.64Å; F632-W655 HydrophobicContact CD2-CB 4.37Å; F632-W655 HydrophobicContact CD2-CE3 4.13Å; F632-W655 HydrophobicContact CE1-CD2 4.41Å; F632-W655 AromaticContact CE1-CE3 3.41Å; F632-W655 HydrophobicContact CE1-CE3 3.41Å; F632-W655 VanDerWaalsContact CE1-CE3 3.41Å; F632-W655 HydrophobicContact CE1-CH2 4.35Å; F632-W655 AromaticContact CE1-CZ3 3.37Å; F632-W655 HydrophobicContact CE1-CZ3 3.37Å; F632-W655 HydrophobicContact CE2-CE3 4.19Å; F632-W655 HydrophobicContact CG-CB 4.13Å; F632-W655 HydrophobicContact CG-CD2 4.05Å; F632-W655 AromaticContact CG-CE3 3.68Å; F632-W655 HydrophobicContact CG-CE3 3.68Å; F632-W655 HydrophobicContact CG-CG 4.24Å; F632-W655 HydrophobicContact CG-CZ3 4.45Å; F632-W655 AromaticContact CZ-CE3 3.85Å; F632-W655 HydrophobicContact CZ-CE3 3.85Å; F632-W655 AromaticContact CZ-CZ3 3.98Å; F632-W655 HydrophobicContact CZ-CZ3 3.98Å; H653-W655 WeakPolarHBondContact ND1-CB 3.47Å; H653-W655 PolarHBondContact ND1-N 3.39Å; H653-W655 PolarHBondContact O-N 3.46Å; W655-S657 VanDerWaalsContact C-N 3.27Å; W655-S657 PolarHBondContact O-N 3.3Å; W655-S658 PolarHBondContact O-OG 3.47Å
656	L	95	Very high	94.5	Very high	7 Å²	7	55.7 Å²	55.7	4%	0.037	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-81.2	-4.2	178.5	-62.3	176.7	0	0	0	114.2	I194 R195 L198 F632 C650 L651 H653 P654	I194-L656 HydrophobicContact CG2-CD2 4.3Å; R195-L656 HydrophobicContact CB-CD1 4.46Å; R195-L656 HydrophobicContact CB-CD2 4.14Å; R195-L656 PolarHBondContact NH1-O 3.06Å; L198-L656 HydrophobicContact CD1-CD1 3.84Å; F632-L656 HydrophobicContact CE2-CD1 3.96Å; F632-L656 HydrophobicContact CE2-CD2 4.22Å; F632-L656 HydrophobicContact CE2-CG 3.92Å; F632-L656 HydrophobicContact CZ-CD1 4.2Å; F632-L656 HydrophobicContact CZ-CD2 3.9Å; F632-L656 HydrophobicContact CZ-CG 4.12Å; C650-L656 VanDerWaalsContact O-CD1 3.23Å; C650-L656 WeakPolarHBondContact O-CD1 3.19Å; L651-L656 HydrophobicContact CD2-CD1 4.42Å; H653-L656 PolarHBondContact O-N 2.94Å; H653-L656 VanDerWaalsContact O-N 3.07Å; P654-L656 VanDerWaalsContact C-N 3.26Å; P654-L656 PolarHBondContact O-N 3.27Å
657	S	81.3	Confident	94.1	Very high	99 Å²	99	54.7 Å²	54.7	69%	0.692	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-121.3	0.3	-179.1	54.1	0	0	0	0	114.3	P654 W655	P654-S657 WeakPolarHBondContact CA-OG 3.22Å; P654-S657 PolarHBondContact O-N 3.47Å; P654-S657 VanDerWaalsContact O-N 3.12Å; P654-S657 PolarHBondContact O-OG 3.19Å; W655-S657 VanDerWaalsContact C-N 3.27Å; W655-S657 PolarHBondContact O-N 3.3Å
658	S	69.5	Low	93.7	Very high	107 Å²	107	59.6 Å²	59.6	75%	0.748	38%	0.376	S	S	*	.			trans	-102.1	0	174.6	52.4	0	0	0	0	112.3	K191 P654 W655	K191-S658 VanDerWaalsContact CD-O 3.28Å; K191-S658 WeakPolarHBondContact CD-O 3.49Å; K191-S658 PolarHBondContact NZ-O 3.49Å; K191-S658 PolarHBondContact NZ-OG 2.56Å; K191-S658 PolarHBondContact NZ-OXT 3.38Å; P654-S658 PolarHBondContact O-N 3.28Å; P654-S658 VanDerWaalsContact O-N 3.13Å; P654-S658 PolarHBondContact O-OG 3.5Å; W655-S658 PolarHBondContact O-OG 3.47Å

Retrieved 658 of 658 residues in 319.1 ms (Link to these results)

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