A0A087XY63_POEFO Loading...

threonine--tRNA ligase

Catalyzes the attachment of threonine to tRNA(Thr) in a two-step reaction: threonine is first activated by ATP to form Thr-AMP and then transferred to the acceptor end of tRNA(Thr). Also edits incorrectly charged tRNA(Thr) via its editing domain, at the post-transfer stage.

AlphaFold DB , UniProt , Accession A0A087XY63, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 724 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.9	Very low	30.3	Very low	246 Å²	246	168.6 Å²	168.6	100%	1.212	90%	0.899	S	S	*	*				0	133.2	0	-86.8	-162.7	-84	0	0	107.2
2	A	32.8	Very low	29.9	Very low	102 Å²	102	169.8 Å²	169.8	84%	0.843	90%	0.895	S	S	*	*			trans	79.5	59.3	-169.6	0	0	0	0	0	116
3	E	29.1	Very low	29.5	Very low	194 Å²	194	170 Å²	170	91%	0.907	90%	0.896	S	S	*	*	S	Bend	trans	-162.2	50.1	158.3	-127.3	176.2	-158.2	0	0	111.1
4	Q	28.2	Very low	29.2	Very low	187 Å²	187	172.1 Å²	172.1	87%	0.874	90%	0.898	S	S	*	*			trans	-152.7	38	-175.1	-127	176.2	12.1	0	0	114.3
5	T	32.1	Very low	28.9	Very low	136 Å²	136	170.1 Å²	170.1	83%	0.834	90%	0.896	S	S	*	*	S	Bend	trans	-146	37.5	-177.9	-12.4	0	0	0	0	113.8
6	L	30.5	Very low	28.5	Very low	171 Å²	171	168.9 Å²	168.9	90%	0.895	89%	0.89	S	S	*	*	S	Bend	trans	-140.4	16.5	175.6	-92.2	164.2	0	0	0	113.6
7	V	29.4	Very low	28.2	Very low	143 Å²	143	172.2 Å²	172.2	87%	0.867	89%	0.888	S	S	*	*	S	Bend	trans	-113.9	4.8	-176	-175.6	0	0	0	0	113
8	E	27.7	Very low	27.9	Very low	186 Å²	186	168.6 Å²	168.6	87%	0.869	88%	0.88	S	S	*	*	S	Bend	trans	-109.6	5.8	-178	-81.8	-177.1	155.7	0	0	116
9	E	31.4	Very low	27.7	Very low	192 Å²	192	167.7 Å²	167.7	90%	0.897	88%	0.875	S	S	*	*	S	Bend	trans	-116.5	28.2	179.6	-76.1	-169.7	154.8	0	0	115.1
10	M	28.8	Very low	27.5	Very low	191 Å²	191	168.3 Å²	168.3	94%	0.941	87%	0.87	S	S	*	*	S	Bend	trans	-140.4	40.1	177	-72.1	-165.5	68.5	0	0	114.5
11	S	25.5	Very low	27.3	Very low	107 Å²	107	167.7 Å²	167.7	75%	0.748	86%	0.863	S	S	*	*			trans	-135.1	33.5	178.4	74	0	0	0	0	116
12	E	24.9	Very low	26.5	Very low	183 Å²	183	160.9 Å²	160.9	86%	0.855	84%	0.839	S	S	*	*			trans	-132.8	107.4	163.8	-73.4	-168.8	168.7	0	0	110.4
13	L	25.5	Very low	26	Very low	172 Å²	172	161.2 Å²	161.2	90%	0.901	84%	0.836	S	S	*	*			trans	160.3	75.7	137.7	-80.9	161.1	0	0	0	109.2
14	Q	24.7	Very low	25.7	Very low	199 Å²	199	158 Å²	158	93%	0.93	83%	0.829	S	S	*	*			trans	-78.6	128.7	158.9	-81.1	-179.2	-20.4	0	0	108.9
15	V	24.2	Very low	25.4	Very low	142 Å²	142	154 Å²	154	86%	0.861	82%	0.822	S	S	*	*			trans	-94.4	123.3	170.2	174.9	0	0	0	0	107.5
16	D	23.7	Very low	24.9	Very low	151 Å²	151	152.7 Å²	152.7	81%	0.807	82%	0.819	S	S	*	*			trans	-124.9	152.6	167.3	-143.8	-7.9	0	0	0	112.6
17	R	23.3	Very low	24.6	Very low	226 Å²	226	153.5 Å²	153.5	85%	0.853	82%	0.815	S	S	*	*			trans	-81.1	173.8	-158	-71.5	168.7	160.9	175.6	-4.2	115.4
18	S	22.4	Very low	24.4	Very low	106 Å²	106	154.1 Å²	154.1	74%	0.741	81%	0.814	S	S	*	*			trans	106.4	113.8	147.3	74.6	0	0	0	0	116.5
19	I	24.7	Very low	24.3	Very low	153 Å²	153	149 Å²	149	79%	0.785	81%	0.811	S	S	*	*				96.2	122.7	77.1	-75.2	167.1	0	0	0	112.8
20	K	23.9	Very low	24.1	Very low	179 Å²	179	143.6 Å²	143.6	78%	0.778	81%	0.806	S	S	*	*			trans	39.7	142.3	151.1	-68.4	178.6	173.8	-173.7	0	119.3
21	E	22.7	Very low	23.9	Very low	156 Å²	156	144.6 Å²	144.6	73%	0.729	81%	0.805	S	S	*	*			cis	-179.8	152.8	46.9	-137.3	158.8	-139.5	0	0	111.2
22	S	21.9	Very low	24.4	Very low	102 Å²	102	149.5 Å²	149.5	71%	0.713	81%	0.813	S	S	*	*			trans	56.1	125.6	149.1	71.8	0	0	0	0	123.8
23	S	22.3	Very low	24.4	Very low	109 Å²	109	150.3 Å²	150.3	76%	0.762	81%	0.814	S	S	*	*				155.4	125.4	106.2	60.8	0	0	0	0	115.6
24	T	22.5	Very low	24.7	Very low	126 Å²	126	147.1 Å²	147.1	77%	0.773	81%	0.806	S	S	*	*			trans	50.7	113.1	140.2	49.3	0	0	0	0	124.5
25	S	22.2	Very low	24.7	Very low	103 Å²	103	147.2 Å²	147.2	72%	0.72	80%	0.803	S	S	*	*				42.8	119.4	126.9	68.5	0	0	0	0	122.4
26	S	21.7	Very low	24.9	Very low	110 Å²	110	148.4 Å²	148.4	77%	0.769	81%	0.805	S	S	*	*				149.1	137.2	98.6	65.3	0	0	0	0	115.5
27	K	24.1	Very low	25.1	Very low	187 Å²	187	147.2 Å²	147.2	81%	0.813	80%	0.803	S	S	*	*			trans	60.1	122.6	146.9	-75.2	-178.3	177.3	175.7	0	123.4
28	N	25.5	Very low	25.3	Very low	157 Å²	157	142 Å²	142	84%	0.84	80%	0.801	S	S	*	*			trans	84.5	130.7	131.8	-77.3	0.9	0	0	0	122.2
29	G	24.4	Very low	25.7	Very low	79 Å²	79	140.4 Å²	140.4	81%	0.814	80%	0.802	S	S	*	*			trans	109.6	106.2	138.4	0	0	0	0	0	115.3
30	G	27.9	Very low	26.1	Very low	77 Å²	77	141.1 Å²	141.1	79%	0.794	81%	0.807	S	S	*	*			trans	-74.7	160	-170.1	0	0	0	0	0	117
31	K	24.5	Very low	27.1	Very low	213 Å²	213	136.7 Å²	136.7	93%	0.926	80%	0.798	S	S	*	*			trans	-168.3	141.6	141.6	-111.2	171.1	-178.6	174.8	0	109.9
32	K	35.6	Very low	28.8	Very low	210 Å²	210	133.9 Å²	133.9	91%	0.913	80%	0.802	S	S	*	*			trans	-44.7	129.6	175	-77.6	173	169.7	175.9	0	112.8
33	K	24.3	Very low	31	Very low	199 Å²	199	130.7 Å²	130.7	87%	0.865	79%	0.785	S	S	*	*			trans	-166.1	126.5	139.9	-110.5	176.4	-178.1	-176.9	0	111.7
34	S	32	Very low	33.8	Very low	106 Å²	106	128.6 Å²	128.6	74%	0.741	76%	0.762	S	S	*	*			trans	18.9	114	153.6	58.4	0	0	0	0	119.3
35	K	24.5	Very low	36.8	Very low	201 Å²	201	127.8 Å²	127.8	87%	0.874	76%	0.758	S	S	*	*			trans	-115.7	110.1	146.7	-98.1	-176.5	174.3	-179.5	0	108.5	V37	K35-V37 PolarHBondContact O-N 3.5Å
36	N	29.5	Very low	40	Very low	166 Å²	166	126.5 Å²	126.5	89%	0.888	74%	0.74	S	S	*	*			trans	-56.3	113.7	159.6	-83.9	-13.6	0	0	0	107.8
37	V	27.6	Very low	43.1	Very low	126 Å²	126	124.6 Å²	124.6	76%	0.764	72%	0.721	S	S	*	*			trans	-103.1	111.8	160.6	-178.9	0	0	0	0	104.8	K35 G39	K35-V37 PolarHBondContact O-N 3.5Å; V37-G39 PolarHBondContact O-N 2.64Å
38	S	28.1	Very low	46.1	Very low	116 Å²	116	121.4 Å²	121.4	81%	0.811	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-52.3	120.9	169.8	44.1	0	0	0	0	109.3
39	G	29.9	Very low	48.9	Very low	74 Å²	74	119.1 Å²	119.1	76%	0.763	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-70.8	129.3	-161.7	0	0	0	0	0	115.2	V37 S41	V37-G39 PolarHBondContact O-N 2.64Å; G39-S41 PolarHBondContact O-N 2.64Å
40	D	34.2	Very low	51.8	Low	168 Å²	168	119.2 Å²	119.2	90%	0.898	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-61.9	120.2	146.6	-85	-34.9	0	0	0	108.1	A42	D40-A42 PolarHBondContact O-N 2.89Å
41	S	44.4	Very low	54.7	Low	85 Å²	85	116.5 Å²	116.5	59%	0.594	67%	0.67	S	S	*	*			trans	-64.5	104.4	177.9	57.8	0	0	0	0	111.2	G39 G43 N198	G39-S41 PolarHBondContact O-N 2.64Å; S41-G43 PolarHBondContact O-N 2.96Å; S41-N198 PolarHBondContact O-ND2 3.25Å; S41-N198 PolarHBondContact OG-ND2 3.1Å; S41-N198 VanDerWaalsContact OG-ND2 3.08Å
42	A	57.4	Low	57.7	Low	98 Å²	98	113.1 Å²	113.1	81%	0.81	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-63.7	130	171.6	0	0	0	0	0	110	D40	D40-A42 PolarHBondContact O-N 2.89Å
43	G	67.6	Low	60.2	Low	35 Å²	35	104.6 Å²	104.6	36%	0.361	62%	0.62	S	S	.	*	P	Polyproline II helix	trans	-63.8	155.7	177.6	0	0	0	0	0	112.8	S41	S41-G43 PolarHBondContact O-N 2.96Å
44	K	81.6	Confident	63.4	Low	64 Å²	64	95.7 Å²	95.7	28%	0.278	58%	0.582	S	S	.	*	P	Polyproline II helix	trans	-65.4	157.5	-178.9	-72.2	-165	177.3	-170.8	0	113.2	V168 Y169 E193 D199 C202	K44-V168 HydrophobicContact CB-CG1 3.99Å; K44-Y169 HydrophobicContact CD-CD1 3.89Å; K44-Y169 HydrophobicContact CD-CE1 3.62Å; K44-E193 IonicContact NZ-OE2 3.28Å; K44-E193 PolarHBondContact NZ-OE2 2.92Å; K44-D199 PolarHBondContact N-OD1 3.03Å; K44-C202 VanDerWaalsContact O-CB 3.28Å; K44-C202 WeakPolarHBondContact O-CB 3.18Å; K44-C202 PolarHBondContact O-SG 2.83Å
45	T	86.7	Confident	66.1	Low	110 Å²	110	95.6 Å²	95.6	68%	0.675	57%	0.573	S	S	*	*			trans	-119.8	165	174.2	58.4	0	0	0	0	110.8
46	E	89.1	Confident	69.3	Low	76 Å²	76	90.4 Å²	90.4	36%	0.355	55%	0.552	S	S	.	*			trans	-54.5	139	172.9	-172.4	167.6	-161.7	0	0	111.4	R167 L206	E46-R167 HydrophobicContact CG-CB 4.25Å; E46-R167 IonicContact OE1-NH1 2.61Å; E46-L206 HydrophobicContact CB-CD1 4.42Å; E46-L206 WeakPolarHBondContact OE2-CD2 3.31Å
47	L	87.3	Confident	72.3	Confident	70 Å²	70	82.7 Å²	82.7	37%	0.366	51%	0.511	S	S	.	.			trans	-67	132.4	177.7	-67.3	174.6	0	0	0	110.3	P49 P51 R167	L47-P49 CarbonylContact C-O 3.57Å; L47-P51 HydrophobicContact CD1-CG 4.08Å; L47-R167 WeakPolarHBondContact CB-O 3.42Å; L47-R167 WeakPolarHBondContact CG-O 3.47Å; L47-R167 PolarHBondContact N-O 2.91Å
48	S	85.9	Confident	75.4	Confident	119 Å²	119	78.6 Å²	78.6	83%	0.832	48%	0.484	S	S	*	.	S	Bend	trans	-136.8	108.5	175.3	175.7	0	0	0	0	108.9
49	P	84.4	Confident	78.6	Confident	110 Å²	110	78 Å²	78	71%	0.714	48%	0.476	S	S	*	.	S	Bend	cis	-74.5	160.8	4.9	31.6	-35.9	0	0	0	113.8	L47	L47-P49 CarbonylContact C-O 3.57Å
50	P	85.9	Confident	81.6	Confident	80 Å²	80	76.8 Å²	76.8	52%	0.519	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-65.9	159.6	173.3	27.4	-33.2	0	0	0	111.7	Q52	P50-Q52 PolarHBondContact O-N 3.29Å
51	P	87.3	Confident	84.4	Confident	20 Å²	20	69 Å²	69	13%	0.13	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-58.9	131.9	179.5	-23.3	31.8	0	0	0	113.4	L47 Y53 I54	L47-P51 HydrophobicContact CD1-CG 4.08Å; P51-Y53 HydrophobicContact CB-CD1 3.63Å; P51-Y53 HydrophobicContact CB-CE1 3.21Å; P51-Y53 HydrophobicContact CB-CE2 4.18Å; P51-Y53 HydrophobicContact CB-CG 4.29Å; P51-Y53 HydrophobicContact CG-CE1 3.99Å; P51-Y53 PolarHBondContact O-N 3.24Å; P51-Y53 VanDerWaalsContact O-N 3.15Å; P51-I54 HydrophobicContact CB-CD1 4.4Å; P51-I54 HydrophobicContact CB-CG1 4.4Å; P51-I54 HydrophobicContact CG-CD1 4.29Å; P51-I54 WeakPolarHBondContact O-CB 3.42Å; P51-I54 WeakPolarHBondContact O-CG1 3.46Å; P51-I54 PolarHBondContact O-N 3.09Å; P51-I54 VanDerWaalsContact O-N 3.12Å
52	Q	88.3	Confident	86.8	Confident	143 Å²	143	67.7 Å²	67.7	67%	0.668	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-32.6	-175.8	-175.9	-178.4	-19.9	0	0	113.7	P50 I54 D55 E56	P50-Q52 PolarHBondContact O-N 3.29Å; Q52-I54 PolarHBondContact O-N 2.77Å; Q52-I54 VanDerWaalsContact O-N 3.09Å; Q52-D55 PolarHBondContact O-N 3.01Å; Q52-E56 PolarHBondContact NE2-OE1 3.38Å
53	Y	88.9	Confident	88.5	Confident	30 Å²	30	69.3 Å²	69.3	12%	0.118	39%	0.393	C	S	.	.	H	α-helix	trans	-61	-21.8	-179.2	62.2	-108.5	0	0	0	113.5	P51 R57 Y233	P51-Y53 HydrophobicContact CB-CD1 3.63Å; P51-Y53 HydrophobicContact CB-CE1 3.21Å; P51-Y53 HydrophobicContact CB-CE2 4.18Å; P51-Y53 HydrophobicContact CB-CG 4.29Å; P51-Y53 HydrophobicContact CG-CE1 3.99Å; P51-Y53 PolarHBondContact O-N 3.24Å; P51-Y53 VanDerWaalsContact O-N 3.15Å; Y53-R57 VanDerWaalsContact O-CG 3.3Å; Y53-R57 WeakPolarHBondContact O-CG 3.43Å; Y53-R57 PolarHBondContact O-N 3.15Å; Y53-R57 VanDerWaalsContact O-N 3.13Å; Y53-Y233 AromaticContact CD1-CD2 3.6Å; Y53-Y233 HydrophobicContact CD1-CD2 3.6Å; Y53-Y233 AromaticContact CD1-CE2 3.9Å; Y53-Y233 HydrophobicContact CD1-CE2 3.9Å; Y53-Y233 HydrophobicContact CD1-CG 4.17Å; Y53-Y233 HydrophobicContact CD2-CD1 4.43Å; Y53-Y233 AromaticContact CD2-CD2 3.88Å; Y53-Y233 HydrophobicContact CD2-CD2 3.88Å; Y53-Y233 HydrophobicContact CD2-CE1 4.03Å; Y53-Y233 AromaticContact CD2-CE2 3.39Å; Y53-Y233 HydrophobicContact CD2-CE2 3.39Å; Y53-Y233 HydrophobicContact CD2-CG 4.37Å; Y53-Y233 AromaticContact CD2-CZ 3.48Å; Y53-Y233 VanDerWaalsContact CD2-CZ 3.48Å; Y53-Y233 HydrophobicContact CE1-CD2 4.02Å; Y53-Y233 HydrophobicContact CE1-CE2 4.03Å; Y53-Y233 HydrophobicContact CE2-CD2 4.32Å; Y53-Y233 AromaticContact CE2-CE2 3.6Å; Y53-Y233 HydrophobicContact CE2-CE2 3.6Å; Y53-Y233 AromaticContact CE2-CZ 3.92Å; Y53-Y233 HydrophobicContact CG-CD1 4.17Å; Y53-Y233 AromaticContact CG-CD2 3.52Å; Y53-Y233 HydrophobicContact CG-CD2 3.52Å; Y53-Y233 HydrophobicContact CG-CE1 4.23Å; Y53-Y233 AromaticContact CG-CE2 3.58Å; Y53-Y233 HydrophobicContact CG-CE2 3.58Å; Y53-Y233 AromaticContact CG-CG 3.83Å; Y53-Y233 HydrophobicContact CG-CG 3.83Å; Y53-Y233 AromaticContact CG-CZ 3.95Å; Y53-Y233 AromaticContact CZ-CE2 3.91Å
54	I	90.3	Very high	89.7	Confident	12 Å²	12	69 Å²	69	6%	0.062	38%	0.383	C	S	.	.	H	α-helix	trans	-65.6	-45.1	-179	-63.2	-178.1	0	0	0	110.6	P51 Q52 R57 L58 P257	P51-I54 HydrophobicContact CB-CD1 4.4Å; P51-I54 HydrophobicContact CB-CG1 4.4Å; P51-I54 HydrophobicContact CG-CD1 4.29Å; P51-I54 WeakPolarHBondContact O-CB 3.42Å; P51-I54 WeakPolarHBondContact O-CG1 3.46Å; P51-I54 PolarHBondContact O-N 3.09Å; P51-I54 VanDerWaalsContact O-N 3.12Å; Q52-I54 PolarHBondContact O-N 2.77Å; Q52-I54 VanDerWaalsContact O-N 3.09Å; I54-R57 VanDerWaalsContact O-CG 3.28Å; I54-R57 WeakPolarHBondContact O-CG 3.42Å; I54-L58 HydrophobicContact CG2-CD1 3.83Å; I54-L58 WeakPolarHBondContact O-CB 3.12Å; I54-L58 WeakPolarHBondContact O-CD1 3.34Å; I54-L58 WeakPolarHBondContact O-CG 3.48Å; I54-L58 PolarHBondContact O-N 3.37Å; I54-L58 VanDerWaalsContact O-N 3.14Å; I54-P257 HydrophobicContact CG2-CB 3.82Å
55	D	90.3	Very high	90.3	Very high	105 Å²	105	68.1 Å²	68.1	56%	0.561	38%	0.379	S	S	*	.	H	α-helix	trans	-71.2	-38.5	-178.1	-69	-23.9	0	0	0	111.6	Q52 L58 T59	Q52-D55 PolarHBondContact O-N 3.01Å; D55-L58 PolarHBondContact O-N 3.05Å; D55-T59 PolarHBondContact O-N 2.84Å; D55-T59 PolarHBondContact O-OG1 3.3Å
56	E	90.8	Very high	90.6	Very high	91 Å²	91	65.9 Å²	65.9	43%	0.425	37%	0.372	S	S	.	.	H	α-helix	trans	-61.9	-49.7	178	-67.4	-178.7	-166.8	0	0	111.4	Q52 L58 T59 L60	Q52-E56 PolarHBondContact NE2-OE1 3.38Å; E56-L58 PolarHBondContact O-N 3.31Å; E56-T59 PolarHBondContact O-N 3.25Å; E56-L60 PolarHBondContact O-N 2.85Å
57	R	92.7	Very high	90.8	Very high	4 Å²	4	67.4 Å²	67.4	2%	0.015	38%	0.379	C	S	.	.	H	α-helix	trans	-67.3	-35.3	179.6	71.9	-179.8	-176	-163.7	-6.8	112.5	Y53 I54 L60 Y61 E166 M230 Y233 P257 I259	Y53-R57 VanDerWaalsContact O-CG 3.3Å; Y53-R57 WeakPolarHBondContact O-CG 3.43Å; Y53-R57 PolarHBondContact O-N 3.15Å; Y53-R57 VanDerWaalsContact O-N 3.13Å; I54-R57 VanDerWaalsContact O-CG 3.28Å; I54-R57 WeakPolarHBondContact O-CG 3.42Å; R57-L60 PolarHBondContact O-N 3.01Å; R57-Y61 WeakPolarHBondContact O-CB 3.19Å; R57-Y61 PolarHBondContact O-N 2.99Å; R57-E166 IonicContact CZ-OE1 2.66Å; R57-E166 IonicContact CZ-OE2 3.66Å; R57-E166 VanDerWaalsContact NH1-CD 3.34Å; R57-E166 IonicContact NH1-OE1 3.84Å; R57-E166 PolarHBondContact NH1-OE1 3.29Å; R57-E166 IonicContact NH1-OE2 2.78Å; R57-E166 PolarHBondContact NH1-OE2 3.16Å; R57-E166 VanDerWaalsContact NH1-OE2 3.12Å; R57-E166 IonicContact NH2-OE1 3.25Å; R57-E166 IonicContact NH2-OE2 2.76Å; R57-E166 PolarHBondContact NH2-OE2 3.42Å; R57-M230 HydrophobicContact CB-CG 4.02Å; R57-Y233 PolarHBondContact NH1-OH 3.33Å; R57-P257 PolarHBondContact NE-O 2.87Å; R57-P257 PolarHBondContact NH2-O 3.08Å; R57-I259 HydrophobicContact CB-CD1 4.09Å; R57-I259 HydrophobicContact CG-CD1 3.83Å; R57-I259 HydrophobicContact CG-CG1 4.46Å; R57-I259 WeakPolarHBondContact O-CD1 3.42Å
58	L	93.4	Very high	90.9	Very high	41 Å²	41	66.5 Å²	66.5	22%	0.215	37%	0.373	C	S	.	.	H	α-helix	trans	-67.7	-39.5	178.2	-76.5	171.6	0	0	0	112	I54 D55 E56 Y61 A62 P257 I259	I54-L58 HydrophobicContact CG2-CD1 3.83Å; I54-L58 WeakPolarHBondContact O-CB 3.12Å; I54-L58 WeakPolarHBondContact O-CD1 3.34Å; I54-L58 WeakPolarHBondContact O-CG 3.48Å; I54-L58 PolarHBondContact O-N 3.37Å; I54-L58 VanDerWaalsContact O-N 3.14Å; D55-L58 PolarHBondContact O-N 3.05Å; E56-L58 PolarHBondContact O-N 3.31Å; L58-Y61 PolarHBondContact O-N 3.01Å; L58-A62 WeakPolarHBondContact O-CB 3.22Å; L58-A62 PolarHBondContact O-N 3.17Å; L58-P257 HydrophobicContact CD1-CB 4.11Å; L58-I259 HydrophobicContact CD2-CD1 4.26Å; L58-I259 HydrophobicContact CD2-CG1 4.48Å
59	T	93.4	Very high	91.1	Very high	104 Å²	104	64.1 Å²	64.1	64%	0.638	35%	0.351	S	S	*	.	H	α-helix	trans	-61	-46.1	175.2	-58.6	0	0	0	0	110.8	D55 E56 A62 K63	D55-T59 PolarHBondContact O-N 2.84Å; D55-T59 PolarHBondContact O-OG1 3.3Å; E56-T59 PolarHBondContact O-N 3.25Å; T59-A62 PolarHBondContact O-N 3.41Å; T59-K63 PolarHBondContact O-N 2.94Å
60	L	93.1	Very high	91.4	Very high	48 Å²	48	61.8 Å²	61.8	25%	0.251	34%	0.341	S	S	.	.	H	α-helix	trans	-64	-44	176.4	-179.7	59.1	0	0	0	111.8	E56 R57 A62 K63 L64 T226 M230	E56-L60 PolarHBondContact O-N 2.85Å; R57-L60 PolarHBondContact O-N 3.01Å; L60-A62 PolarHBondContact O-N 3.45Å; L60-K63 PolarHBondContact O-N 2.9Å; L60-L64 HydrophobicContact CD1-CD1 4.21Å; L60-L64 HydrophobicContact CD1-CG 4.43Å; L60-L64 HydrophobicContact CG-CD1 4.03Å; L60-L64 WeakPolarHBondContact O-CG 3.37Å; L60-L64 PolarHBondContact O-N 2.86Å; L60-L64 VanDerWaalsContact O-N 3.13Å; L60-T226 HydrophobicContact CD1-CG2 4.49Å; L60-T226 HydrophobicContact CD2-CG2 4.39Å; L60-M230 HydrophobicContact CB-CE 4.47Å; L60-M230 HydrophobicContact CD2-CB 3.79Å; L60-M230 HydrophobicContact CD2-CE 3.91Å; L60-M230 HydrophobicContact CD2-CG 4.23Å; L60-M230 HydrophobicContact CG-CE 3.96Å
61	Y	93.8	Very high	91.6	Very high	3 Å²	3	61.7 Å²	61.7	1%	0.012	34%	0.335	C	S	.	.	H	α-helix	trans	-62.5	-42.9	178.5	-174.1	-81.4	0	0	0	112.4	R57 L58 K63 L64 K65 E218 L220 V252 R254 I259	R57-Y61 WeakPolarHBondContact O-CB 3.19Å; R57-Y61 PolarHBondContact O-N 2.99Å; L58-Y61 PolarHBondContact O-N 3.01Å; Y61-K63 VanDerWaalsContact C-N 3.26Å; Y61-K63 PolarHBondContact O-N 2.55Å; Y61-L64 PolarHBondContact O-N 2.71Å; Y61-L64 VanDerWaalsContact O-N 3.15Å; Y61-K65 HydrophobicContact CD1-CB 4.18Å; Y61-K65 HydrophobicContact CE1-CB 3.94Å; Y61-K65 HydrophobicContact CE1-CD 4.32Å; Y61-K65 HydrophobicContact CE1-CG 4.2Å; Y61-K65 VanDerWaalsContact O-CB 3.3Å; Y61-K65 WeakPolarHBondContact O-CB 3.34Å; Y61-K65 PolarHBondContact O-N 3.49Å; Y61-E218 WeakPolarHBondContact OH-CB 3.43Å; Y61-E218 PolarHBondContact OH-O 2.99Å; Y61-L220 HydrophobicContact CD2-CD1 4.03Å; Y61-L220 HydrophobicContact CE1-CD1 4.04Å; Y61-L220 HydrophobicContact CE2-CB 4.49Å; Y61-L220 HydrophobicContact CE2-CD1 3.5Å; Y61-L220 VanDerWaalsContact CE2-CD1 3.5Å; Y61-L220 HydrophobicContact CE2-CG 4.04Å; Y61-L220 VanDerWaalsContact CZ-CD1 3.49Å; Y61-V252 HydrophobicContact CE2-CG2 4.2Å; Y61-R254 HydrophobicContact CD1-CB 4.39Å; Y61-R254 HydrophobicContact CD1-CG 4.48Å; Y61-R254 HydrophobicContact CD2-CB 4.23Å; Y61-R254 HydrophobicContact CE1-CB 3.79Å; Y61-R254 HydrophobicContact CE1-CG 4.17Å; Y61-R254 HydrophobicContact CE2-CB 3.58Å; Y61-R254 WeakPolarHBondContact OH-CB 3.43Å; Y61-I259 VanDerWaalsContact CB-CD1 3.44Å; Y61-I259 HydrophobicContact CD2-CD1 3.75Å; Y61-I259 HydrophobicContact CD2-CG1 4.23Å; Y61-I259 HydrophobicContact CD2-CG2 4.12Å; Y61-I259 HydrophobicContact CG-CD1 3.77Å
62	A	93.9	Very high	91.5	Very high	59 Å²	59	62.7 Å²	62.7	49%	0.488	34%	0.339	S	S	.	.	H	α-helix	trans	-58.1	-40.9	178.9	0	0	0	0	0	111.8	L58 T59 L60 A66	L58-A62 WeakPolarHBondContact O-CB 3.22Å; L58-A62 PolarHBondContact O-N 3.17Å; T59-A62 PolarHBondContact O-N 3.41Å; L60-A62 PolarHBondContact O-N 3.45Å; A62-A66 PolarHBondContact O-N 2.93Å; A62-A66 VanDerWaalsContact O-N 3.11Å
63	K	93.6	Very high	91.5	Very high	132 Å²	132	58.7 Å²	58.7	57%	0.574	33%	0.331	S	S	*	.	H	α-helix	trans	-61.9	-51	173.8	-177.6	-177.6	174	-175.5	0	111.6	T59 L60 Y61 K65 A66 E67	T59-K63 PolarHBondContact O-N 2.94Å; L60-K63 PolarHBondContact O-N 2.9Å; Y61-K63 VanDerWaalsContact C-N 3.26Å; Y61-K63 PolarHBondContact O-N 2.55Å; K63-K65 VanDerWaalsContact C-N 3.31Å; K63-K65 PolarHBondContact O-N 3.27Å; K63-A66 PolarHBondContact O-N 2.95Å; K63-E67 WeakPolarHBondContact CE-OE1 3.42Å; K63-E67 WeakPolarHBondContact O-CG 3.4Å; K63-E67 PolarHBondContact O-N 2.98Å; K63-E67 VanDerWaalsContact O-N 3.16Å
64	L	94.1	Very high	91.6	Very high	29 Å²	29	63.3 Å²	63.3	15%	0.152	35%	0.353	C	S	.	.	H	α-helix	trans	-64.8	-35.3	-178.5	-64.7	170.8	0	0	0	112.4	L60 Y61 E67 H68 L220 I222 T226 M230	L60-L64 HydrophobicContact CD1-CD1 4.21Å; L60-L64 HydrophobicContact CD1-CG 4.43Å; L60-L64 HydrophobicContact CG-CD1 4.03Å; L60-L64 WeakPolarHBondContact O-CG 3.37Å; L60-L64 PolarHBondContact O-N 2.86Å; L60-L64 VanDerWaalsContact O-N 3.13Å; Y61-L64 PolarHBondContact O-N 2.71Å; Y61-L64 VanDerWaalsContact O-N 3.15Å; L64-E67 PolarHBondContact O-N 3.41Å; L64-H68 WeakPolarHBondContact O-CB 3.29Å; L64-H68 PolarHBondContact O-N 3.37Å; L64-L220 HydrophobicContact CB-CD1 4.35Å; L64-I222 HydrophobicContact CD1-CD1 3.87Å; L64-I222 HydrophobicContact CD1-CG2 4.1Å; L64-T226 HydrophobicContact CD1-CG2 3.65Å; L64-T226 HydrophobicContact CD2-CG2 4.2Å; L64-M230 HydrophobicContact CD1-CE 3.88Å
65	K	93.6	Very high	91.4	Very high	45 Å²	45	67.6 Å²	67.6	20%	0.196	37%	0.369	C	S	.	.	H	α-helix	trans	-65.4	-44.5	176.3	-175.1	59.9	164.3	77.4	0	111.4	Y61 K63 E67 H68 D69 L220	Y61-K65 HydrophobicContact CD1-CB 4.18Å; Y61-K65 HydrophobicContact CE1-CB 3.94Å; Y61-K65 HydrophobicContact CE1-CD 4.32Å; Y61-K65 HydrophobicContact CE1-CG 4.2Å; Y61-K65 VanDerWaalsContact O-CB 3.3Å; Y61-K65 WeakPolarHBondContact O-CB 3.34Å; Y61-K65 PolarHBondContact O-N 3.49Å; K63-K65 VanDerWaalsContact C-N 3.31Å; K63-K65 PolarHBondContact O-N 3.27Å; K65-E67 VanDerWaalsContact C-N 3.34Å; K65-E67 PolarHBondContact O-N 2.89Å; K65-H68 PolarHBondContact O-N 3.15Å; K65-D69 IonicContact NZ-OD1 2.74Å; K65-D69 PolarHBondContact NZ-OD1 3.06Å; K65-D69 IonicContact NZ-OD2 3.77Å; K65-D69 PolarHBondContact NZ-OD2 3.49Å; K65-D69 WeakPolarHBondContact O-CB 3.32Å; K65-D69 PolarHBondContact O-N 2.96Å; K65-L220 HydrophobicContact CB-CD1 4.11Å; K65-L220 HydrophobicContact CD-CD1 4.16Å; K65-L220 HydrophobicContact CD-CD2 3.74Å; K65-L220 HydrophobicContact CD-CG 4.16Å
66	A	93.2	Very high	91.2	Very high	62 Å²	62	63.4 Å²	63.4	51%	0.512	35%	0.349	S	S	.	.	H	α-helix	trans	-61.7	-42.3	176.9	0	0	0	0	0	111.9	A62 K63 A70	A62-A66 PolarHBondContact O-N 2.93Å; A62-A66 VanDerWaalsContact O-N 3.11Å; K63-A66 PolarHBondContact O-N 2.95Å; A66-A70 WeakPolarHBondContact O-CB 3.33Å; A66-A70 PolarHBondContact O-N 2.92Å; A66-A70 VanDerWaalsContact O-N 3.13Å
67	E	92.1	Very high	91.1	Very high	108 Å²	108	63 Å²	63	51%	0.505	36%	0.361	S	S	.	.	H	α-helix	trans	-62.9	-44.2	174.7	-69.5	172.6	-169.4	0	0	111.7	K63 L64 K65 L71	K63-E67 WeakPolarHBondContact CE-OE1 3.42Å; K63-E67 WeakPolarHBondContact O-CG 3.4Å; K63-E67 PolarHBondContact O-N 2.98Å; K63-E67 VanDerWaalsContact O-N 3.16Å; L64-E67 PolarHBondContact O-N 3.41Å; K65-E67 VanDerWaalsContact C-N 3.34Å; K65-E67 PolarHBondContact O-N 2.89Å; E67-L71 PolarHBondContact O-N 3.46Å
68	H	91	Very high	90.8	Very high	51 Å²	51	67.2 Å²	67.2	24%	0.236	39%	0.388	C	S	.	.	H	α-helix	trans	-64.9	-45.4	178.1	-177.7	79.8	0	0	0	112.7	L64 K65 A70 L71 I72 L220	L64-H68 WeakPolarHBondContact O-CB 3.29Å; L64-H68 PolarHBondContact O-N 3.37Å; K65-H68 PolarHBondContact O-N 3.15Å; H68-A70 VanDerWaalsContact C-N 3.31Å; H68-A70 PolarHBondContact O-N 2.94Å; H68-L71 PolarHBondContact O-N 3.38Å; H68-L71 VanDerWaalsContact O-N 3.15Å; H68-I72 WeakPolarHBondContact NE2-CG1 3.08Å; H68-I72 WeakPolarHBondContact O-CG1 3.37Å; H68-I72 PolarHBondContact O-N 3.34Å; H68-L220 HydrophobicContact CB-CD2 3.5Å; H68-L220 VanDerWaalsContact CB-CD2 3.5Å; H68-L220 WeakPolarHBondContact CD2-CD2 3.42Å
69	D	89.8	Confident	90.5	Very high	70 Å²	70	68.8 Å²	68.8	37%	0.374	40%	0.396	S	S	.	.	H	α-helix	trans	-63.5	-38.7	-179.6	-72.3	-16.2	0	0	0	111.8	K65 L71 I72 A73	K65-D69 IonicContact NZ-OD1 2.74Å; K65-D69 PolarHBondContact NZ-OD1 3.06Å; K65-D69 IonicContact NZ-OD2 3.77Å; K65-D69 PolarHBondContact NZ-OD2 3.49Å; K65-D69 WeakPolarHBondContact O-CB 3.32Å; K65-D69 PolarHBondContact O-N 2.96Å; D69-L71 VanDerWaalsContact C-N 3.35Å; D69-I72 PolarHBondContact O-N 2.99Å; D69-A73 VanDerWaalsContact O-CB 3.25Å; D69-A73 WeakPolarHBondContact O-CB 3.48Å; D69-A73 PolarHBondContact O-N 3.46Å
70	A	91	Very high	90.3	Very high	61 Å²	61	65.2 Å²	65.2	50%	0.504	38%	0.375	S	S	.	.	H	α-helix	trans	-60.9	-44.5	173.3	0	0	0	0	0	111.4	A66 H68 A73 E74	A66-A70 WeakPolarHBondContact O-CB 3.33Å; A66-A70 PolarHBondContact O-N 2.92Å; A66-A70 VanDerWaalsContact O-N 3.13Å; H68-A70 VanDerWaalsContact C-N 3.31Å; H68-A70 PolarHBondContact O-N 2.94Å; A70-A73 PolarHBondContact O-N 2.95Å; A70-E74 WeakPolarHBondContact O-CB 3.42Å; A70-E74 PolarHBondContact O-N 2.97Å
71	L	88.6	Confident	90.3	Very high	78 Å²	78	69.6 Å²	69.6	41%	0.408	39%	0.392	S	S	.	.	H	α-helix	trans	-66.5	-40.6	178.9	-175.8	148.4	0	0	0	112.5	E67 H68 D69 E74 R75	E67-L71 PolarHBondContact O-N 3.46Å; H68-L71 PolarHBondContact O-N 3.38Å; H68-L71 VanDerWaalsContact O-N 3.15Å; D69-L71 VanDerWaalsContact C-N 3.35Å; L71-E74 PolarHBondContact O-N 2.92Å; L71-R75 HydrophobicContact CD2-CG 4.48Å; L71-R75 WeakPolarHBondContact O-CG 3.42Å; L71-R75 PolarHBondContact O-N 3.49Å
72	I	86.5	Confident	90.3	Very high	40 Å²	40	74.5 Å²	74.5	21%	0.205	42%	0.424	C	S	.	.	H	α-helix	trans	-67.8	-41	176	-66	-61.2	0	0	0	110.9	H68 D69 E74 R75 A76 W98	H68-I72 WeakPolarHBondContact NE2-CG1 3.08Å; H68-I72 WeakPolarHBondContact O-CG1 3.37Å; H68-I72 PolarHBondContact O-N 3.34Å; D69-I72 PolarHBondContact O-N 2.99Å; I72-E74 VanDerWaalsContact C-N 3.34Å; I72-R75 PolarHBondContact O-N 3.36Å; I72-A76 VanDerWaalsContact O-CB 3.31Å; I72-A76 WeakPolarHBondContact O-CB 3.49Å; I72-A76 PolarHBondContact O-N 3.25Å; I72-W98 HydrophobicContact CD1-CZ3 4.49Å
73	A	88.4	Confident	90.4	Very high	60 Å²	60	72 Å²	72	50%	0.496	40%	0.403	S	S	.	.	H	α-helix	trans	-63.4	-40.1	175.9	0	0	0	0	0	112	D69 A70 A76 A77	D69-A73 VanDerWaalsContact O-CB 3.25Å; D69-A73 WeakPolarHBondContact O-CB 3.48Å; D69-A73 PolarHBondContact O-N 3.46Å; A70-A73 PolarHBondContact O-N 2.95Å; A73-A76 PolarHBondContact O-N 3.5Å; A73-A77 WeakPolarHBondContact O-CB 3.41Å; A73-A77 PolarHBondContact O-N 2.88Å
74	E	90.4	Very high	90.5	Very high	127 Å²	127	71.1 Å²	71.1	59%	0.593	40%	0.399	S	S	*	.	H	α-helix	trans	-60.9	-51.6	173.4	-175.4	179.3	-173.8	0	0	111	A70 L71 I72 A76 A77 T78	A70-E74 WeakPolarHBondContact O-CB 3.42Å; A70-E74 PolarHBondContact O-N 2.97Å; L71-E74 PolarHBondContact O-N 2.92Å; I72-E74 VanDerWaalsContact C-N 3.34Å; E74-A76 VanDerWaalsContact C-N 3.31Å; E74-A76 PolarHBondContact O-N 2.9Å; E74-A77 CarbonylContact O-C 3.52Å; E74-A77 WeakPolarHBondContact O-CA 3.4Å; E74-A77 WeakPolarHBondContact O-CB 3.34Å; E74-A77 PolarHBondContact O-N 3.04Å; E74-T78 HydrophobicContact CG-CG2 4.38Å; E74-T78 PolarHBondContact O-N 2.92Å; E74-T78 PolarHBondContact O-OG1 2.91Å
75	R	86.2	Confident	90.6	Very high	101 Å²	101	69.7 Å²	69.7	38%	0.381	39%	0.392	S	S	.	.	H	α-helix	trans	-58.7	-41.1	176.3	-75.7	-176	179.2	-179.8	2.1	112.8	L71 I72 A77 T78 D79 S80	L71-R75 HydrophobicContact CD2-CG 4.48Å; L71-R75 WeakPolarHBondContact O-CG 3.42Å; L71-R75 PolarHBondContact O-N 3.49Å; I72-R75 PolarHBondContact O-N 3.36Å; R75-A77 PolarHBondContact O-N 2.81Å; R75-T78 PolarHBondContact O-N 3.12Å; R75-D79 WeakPolarHBondContact O-CA 3.48Å; R75-D79 WeakPolarHBondContact O-CB 3.36Å; R75-D79 PolarHBondContact O-N 3.21Å; R75-S80 PolarHBondContact O-N 3.3Å
76	A	85.7	Confident	90.7	Very high	17 Å²	17	70.4 Å²	70.4	14%	0.14	40%	0.4	C	S	.	.	H	α-helix	trans	-64.1	-26.7	175.9	0	0	0	0	0	112.4	I72 A73 E74 S80 W98 K99	I72-A76 VanDerWaalsContact O-CB 3.31Å; I72-A76 WeakPolarHBondContact O-CB 3.49Å; I72-A76 PolarHBondContact O-N 3.25Å; A73-A76 PolarHBondContact O-N 3.5Å; E74-A76 VanDerWaalsContact C-N 3.31Å; E74-A76 PolarHBondContact O-N 2.9Å; A76-S80 WeakPolarHBondContact O-CB 3.07Å; A76-W98 HydrophobicContact CB-CB 4.29Å; A76-K99 HydrophobicContact CB-CG 4.01Å; A76-K99 WeakPolarHBondContact O-CE 3.47Å
77	A	87.9	Confident	90.8	Very high	84 Å²	84	68.1 Å²	68.1	69%	0.694	38%	0.379	S	S	*	.	H	α-helix	trans	-84.5	-38.3	175.9	0	0	0	0	0	113	A73 E74 R75	A73-A77 WeakPolarHBondContact O-CB 3.41Å; A73-A77 PolarHBondContact O-N 2.88Å; E74-A77 CarbonylContact O-C 3.52Å; E74-A77 WeakPolarHBondContact O-CA 3.4Å; E74-A77 WeakPolarHBondContact O-CB 3.34Å; E74-A77 PolarHBondContact O-N 3.04Å; R75-A77 PolarHBondContact O-N 2.81Å
78	T	87.6	Confident	90.8	Very high	92 Å²	92	68 Å²	68	56%	0.564	39%	0.387	S	S	*	.	H	α-helix	trans	-95.6	-35.8	-172.3	61.1	0	0	0	0	114.1	E74 R75	E74-T78 HydrophobicContact CG-CG2 4.38Å; E74-T78 PolarHBondContact O-N 2.92Å; E74-T78 PolarHBondContact O-OG1 2.91Å; R75-T78 PolarHBondContact O-N 3.12Å
79	D	87.5	Confident	90.8	Very high	74 Å²	74	71.2 Å²	71.2	40%	0.396	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-3.6	-165.2	-57.6	-11.2	0	0	0	112.9	R75 K81	R75-D79 WeakPolarHBondContact O-CA 3.48Å; R75-D79 WeakPolarHBondContact O-CB 3.36Å; R75-D79 PolarHBondContact O-N 3.21Å; D79-K81 PolarHBondContact O-N 3.06Å
80	S	88.9	Confident	90.7	Very high	28 Å²	28	70.4 Å²	70.4	20%	0.196	41%	0.414	C	S	.	.			trans	-65.4	129.7	179.8	-173.5	0	0	0	0	111.5	R75 A76 S97 K99	R75-S80 PolarHBondContact O-N 3.3Å; A76-S80 WeakPolarHBondContact O-CB 3.07Å; S80-S97 WeakPolarHBondContact CA-O 3.11Å; S80-S97 VanDerWaalsContact CB-O 3.27Å; S80-S97 WeakPolarHBondContact CB-O 3.46Å; S80-S97 PolarHBondContact OG-O 3.47Å; S80-K99 WeakPolarHBondContact OG-CE 3.42Å
81	K	92.6	Very high	90.9	Very high	140 Å²	140	73.3 Å²	73.3	61%	0.609	42%	0.415	S	S	*	.			trans	-136.5	152.8	-178.2	-65.7	173.6	-172	174.6	0	109.8	D79 I83 E96 S97	D79-K81 PolarHBondContact O-N 3.06Å; K81-I83 PolarHBondContact O-N 2.66Å; K81-E96 WeakPolarHBondContact O-CA 3.25Å; K81-S97 PolarHBondContact N-OG 3.18Å; K81-S97 PolarHBondContact O-N 3.15Å; K81-S97 PolarHBondContact O-OG 3.32Å
82	P	94.3	Very high	91.1	Very high	106 Å²	106	73 Å²	73	69%	0.688	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.9	131.8	169.2	-22.3	33.5	0	0	0	110.7	A95	P82-A95 WeakPolarHBondContact CA-O 3.37Å
83	I	95.4	Very high	91.5	Very high	8 Å²	8	72.7 Å²	72.7	4%	0.041	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	154.6	178.3	57.5	166.2	0	0	0	110.5	K81 A95 L133 G135 D136	K81-I83 PolarHBondContact O-N 2.66Å; I83-A95 HydrophobicContact CD1-CB 4.16Å; I83-A95 HydrophobicContact CG1-CB 3.83Å; I83-A95 WeakPolarHBondContact CG1-O 3.48Å; I83-A95 PolarHBondContact N-O 3.16Å; I83-A95 PolarHBondContact O-N 3.1Å; I83-L133 HydrophobicContact CD1-CB 3.72Å; I83-L133 HydrophobicContact CD1-CD1 4.46Å; I83-G135 WeakPolarHBondContact CD1-O 3.37Å; I83-D136 WeakPolarHBondContact CA-OD1 2.84Å; I83-D136 WeakPolarHBondContact CB-OD1 3.48Å
84	K	95.4	Very high	91.7	Very high	112 Å²	112	76 Å²	76	49%	0.487	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	123.3	178.1	-68.6	-178.1	178.8	-178.4	0	111	V92 D136 C137	K84-V92 HydrophobicContact CB-CG1 3.84Å; K84-V92 HydrophobicContact CD-CG1 4.28Å; K84-V92 HydrophobicContact CG-CG1 4.03Å; K84-D136 PolarHBondContact N-OD1 2.97Å; K84-D136 WeakPolarHBondContact O-CA 3.31Å; K84-C137 PolarHBondContact O-N 3.01Å; K84-C137 VanDerWaalsContact O-N 3.14Å
85	V	95.9	Very high	91.9	Very high	0 Å²	0	70.3 Å²	70.3	0%	0	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	114	176.2	-177.9	0	0	0	0	109	V92 V93 A95 L133 C137 L139	V85-V92 CarbonylContact O-C 3.56Å; V85-V92 WeakPolarHBondContact O-CA 3.37Å; V85-V93 HydrophobicContact CB-CB 4.36Å; V85-V93 PolarHBondContact N-O 3.47Å; V85-V93 PolarHBondContact O-N 2.93Å; V85-A95 HydrophobicContact CG2-CB 3.78Å; V85-L133 HydrophobicContact CG2-CD1 3.55Å; V85-C137 WeakPolarHBondContact CA-O 3.43Å; V85-L139 HydrophobicContact CG1-CB 3.47Å; V85-L139 VanDerWaalsContact CG1-CB 3.47Å; V85-L139 HydrophobicContact CG1-CD2 3.77Å; V85-L139 HydrophobicContact CG1-CG 4.26Å
86	T	96.3	Very high	92.3	Very high	59 Å²	59	69.7 Å²	69.7	36%	0.362	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	121.9	-178.6	-52.6	0	0	0	0	110.2	C137 S138 L139	T86-C137 PolarHBondContact N-O 3.08Å; T86-S138 CarbonylContact O-C 3.46Å; T86-S138 WeakPolarHBondContact O-CA 3.48Å; T86-L139 PolarHBondContact O-N 3.36Å
87	L	94.9	Very high	92.7	Very high	15 Å²	15	69 Å²	69	8%	0.079	39%	0.393	C	S	.	.			trans	-88	165.2	177.2	-61.7	179.8	0	0	0	111.5	D89 G90 K91 V93 V105 I109 L139	L87-D89 VanDerWaalsContact CB-OD1 3.3Å; L87-D89 WeakPolarHBondContact CB-OD1 3.43Å; L87-D89 PolarHBondContact O-N 3.29Å; L87-G90 PolarHBondContact O-N 3.36Å; L87-K91 HydrophobicContact CB-CB 4.49Å; L87-K91 WeakPolarHBondContact CB-O 3.36Å; L87-K91 HydrophobicContact CD1-CB 4.39Å; L87-K91 HydrophobicContact CD1-CD 4.49Å; L87-K91 PolarHBondContact N-O 3.39Å; L87-V93 HydrophobicContact CD1-CG2 3.84Å; L87-V93 HydrophobicContact CG-CG2 4.22Å; L87-V105 HydrophobicContact CD2-CG1 4.36Å; L87-I109 HydrophobicContact CD1-CD1 3.82Å; L87-L139 HydrophobicContact CD2-CB 4.37Å; L87-L139 HydrophobicContact CD2-CD2 4.3Å; L87-L139 HydrophobicContact CD2-CG 4.45Å
88	P	91.5	Very high	92.9	Very high	104 Å²	104	67.4 Å²	67.4	68%	0.675	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-22.7	-176	-23.5	35.8	0	0	0	114.8	G90 L139 Q140	P88-G90 PolarHBondContact O-N 2.7Å; P88-L139 WeakPolarHBondContact CD-O 3.36Å; P88-Q140 HydrophobicContact CG-CB 4.21Å; P88-Q140 HydrophobicContact CG-CG 4.15Å
89	D	91.1	Very high	93.1	Very high	120 Å²	120	67.4 Å²	67.4	64%	0.642	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	2.6	175	64.4	-8.4	0	0	0	113	L87 K91	L87-D89 VanDerWaalsContact CB-OD1 3.3Å; L87-D89 WeakPolarHBondContact CB-OD1 3.43Å; L87-D89 PolarHBondContact O-N 3.29Å; D89-K91 VanDerWaalsContact C-N 3.26Å; D89-K91 PolarHBondContact O-N 2.86Å; D89-K91 WeakPolarHBondContact OD1-CB 3.43Å; D89-K91 PolarHBondContact OD1-N 2.86Å
90	G	89.5	Confident	93.5	Very high	52 Å²	52	65 Å²	65	54%	0.536	35%	0.349	S	S	.	.	S	Bend	trans	81.2	-0.2	-176	0	0	0	0	0	113.9	L87 P88	L87-G90 PolarHBondContact O-N 3.36Å; P88-G90 PolarHBondContact O-N 2.7Å
91	K	93.3	Very high	93.8	Very high	122 Å²	122	64.3 Å²	64.3	53%	0.53	34%	0.344	S	S	.	.			trans	-69	134.5	175.8	-173	178.8	178	-177	0	110	L87 D89	L87-K91 HydrophobicContact CB-CB 4.49Å; L87-K91 WeakPolarHBondContact CB-O 3.36Å; L87-K91 HydrophobicContact CD1-CB 4.39Å; L87-K91 HydrophobicContact CD1-CD 4.49Å; L87-K91 PolarHBondContact N-O 3.39Å; D89-K91 VanDerWaalsContact C-N 3.26Å; D89-K91 PolarHBondContact O-N 2.86Å; D89-K91 WeakPolarHBondContact OD1-CB 3.43Å; D89-K91 PolarHBondContact OD1-N 2.86Å
92	V	93.8	Very high	94	Very high	71 Å²	71	57.7 Å²	57.7	43%	0.43	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	129.5	174.8	-177.7	0	0	0	0	109.2	K84 V85	K84-V92 HydrophobicContact CB-CG1 3.84Å; K84-V92 HydrophobicContact CD-CG1 4.28Å; K84-V92 HydrophobicContact CG-CG1 4.03Å; V85-V92 CarbonylContact O-C 3.56Å; V85-V92 WeakPolarHBondContact O-CA 3.37Å
93	V	93.9	Very high	94.1	Very high	35 Å²	35	54.5 Å²	54.5	21%	0.212	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	125	174.2	-178.9	0	0	0	0	108.1	V85 L87 V105	V85-V93 HydrophobicContact CB-CB 4.36Å; V85-V93 PolarHBondContact N-O 3.47Å; V85-V93 PolarHBondContact O-N 2.93Å; L87-V93 HydrophobicContact CD1-CG2 3.84Å; L87-V93 HydrophobicContact CG-CG2 4.22Å; V93-V105 HydrophobicContact CG1-CG1 4.38Å; V93-V105 HydrophobicContact CG2-CG1 4.42Å
94	E	94.3	Very high	94.1	Very high	128 Å²	128	58.9 Å²	58.9	60%	0.598	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.5	131.2	172.8	-62	-64.4	144.4	0	0	109.4
95	A	94.1	Very high	94	Very high	9 Å²	9	54 Å²	54	7%	0.074	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	169.6	-176.5	0	0	0	0	0	110.6	P82 I83 V85 T100	P82-A95 WeakPolarHBondContact CA-O 3.37Å; I83-A95 HydrophobicContact CD1-CB 4.16Å; I83-A95 HydrophobicContact CG1-CB 3.83Å; I83-A95 WeakPolarHBondContact CG1-O 3.48Å; I83-A95 PolarHBondContact N-O 3.16Å; I83-A95 PolarHBondContact O-N 3.1Å; V85-A95 HydrophobicContact CG2-CB 3.78Å; A95-T100 HydrophobicContact CB-CG2 3.66Å
96	E	94.4	Very high	94	Very high	87 Å²	87	54 Å²	54	41%	0.407	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	128.1	175.3	-68.4	-168.4	155.5	0	0	110.2	K81 K99 T100	K81-E96 WeakPolarHBondContact O-CA 3.25Å; E96-K99 HydrophobicContact CB-CB 4.23Å; E96-K99 HydrophobicContact CB-CD 4.2Å; E96-K99 PolarHBondContact O-N 2.91Å; E96-K99 WeakPolarHBondContact OE2-CD 3.43Å; E96-K99 IonicContact OE2-NZ 2.67Å; E96-K99 PolarHBondContact OE2-NZ 3.1Å; E96-T100 PolarHBondContact N-OG1 3.46Å; E96-T100 WeakPolarHBondContact O-CB 3.24Å; E96-T100 PolarHBondContact O-N 2.81Å; E96-T100 PolarHBondContact O-OG1 3.12Å
97	S	93.6	Very high	93.9	Very high	4 Å²	4	53 Å²	53	3%	0.028	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	148.8	176.5	65.4	0	0	0	0	111.1	S80 K81 K99 L133	S80-S97 WeakPolarHBondContact CA-O 3.11Å; S80-S97 VanDerWaalsContact CB-O 3.27Å; S80-S97 WeakPolarHBondContact CB-O 3.46Å; S80-S97 PolarHBondContact OG-O 3.47Å; K81-S97 PolarHBondContact N-OG 3.18Å; K81-S97 PolarHBondContact O-N 3.15Å; K81-S97 PolarHBondContact O-OG 3.32Å; S97-K99 PolarHBondContact O-N 3.45Å; S97-L133 CarbonylContact C-O 3.6Å; S97-L133 VanDerWaalsContact CA-O 3.25Å; S97-L133 WeakPolarHBondContact CA-O 3.45Å
98	W	92.4	Very high	93.8	Very high	49 Å²	49	55.7 Å²	55.7	19%	0.186	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	1.6	-177.5	-56.3	100.9	0	0	0	115.6	I72 A76 L133 E134	I72-W98 HydrophobicContact CD1-CZ3 4.49Å; A76-W98 HydrophobicContact CB-CB 4.29Å; W98-L133 PolarHBondContact N-O 3.47Å; W98-E134 HydrophobicContact CE3-CG 4.32Å; W98-E134 HydrophobicContact CH2-CB 4.43Å; W98-E134 HydrophobicContact CH2-CG 3.69Å; W98-E134 HydrophobicContact CZ2-CB 4.16Å; W98-E134 HydrophobicContact CZ2-CG 3.91Å; W98-E134 HydrophobicContact CZ3-CG 3.92Å
99	K	92.4	Very high	93.8	Very high	92 Å²	92	54.5 Å²	54.5	40%	0.4	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.8	-50.3	177.4	-68.1	177.2	-172.9	172.2	0	112.8	A76 S80 E96 S97 Q104	A76-K99 HydrophobicContact CB-CG 4.01Å; A76-K99 WeakPolarHBondContact O-CE 3.47Å; S80-K99 WeakPolarHBondContact OG-CE 3.42Å; E96-K99 HydrophobicContact CB-CB 4.23Å; E96-K99 HydrophobicContact CB-CD 4.2Å; E96-K99 PolarHBondContact O-N 2.91Å; E96-K99 WeakPolarHBondContact OE2-CD 3.43Å; E96-K99 IonicContact OE2-NZ 2.67Å; E96-K99 PolarHBondContact OE2-NZ 3.1Å; S97-K99 PolarHBondContact O-N 3.45Å; K99-Q104 PolarHBondContact O-OE1 3.48Å
100	T	94.6	Very high	94	Very high	25 Å²	25	51.3 Å²	51.3	15%	0.153	29%	0.29	C	S	.	.			trans	-75.6	129.8	-176.6	-55.3	0	0	0	0	110.7	A95 E96 Q104 V105 L133	A95-T100 HydrophobicContact CB-CG2 3.66Å; E96-T100 PolarHBondContact N-OG1 3.46Å; E96-T100 WeakPolarHBondContact O-CB 3.24Å; E96-T100 PolarHBondContact O-N 2.81Å; E96-T100 PolarHBondContact O-OG1 3.12Å; T100-Q104 VanDerWaalsContact CA-OE1 3.24Å; T100-V105 HydrophobicContact CG2-CG2 3.78Å; T100-L133 PolarHBondContact O-N 3.05Å
101	T	96	Very high	94.1	Very high	13 Å²	13	53.7 Å²	53.7	8%	0.08	29%	0.287	C	S	.	.			trans	-107.2	157	177.2	72.5	0	0	0	0	111.7	Y103 Q104 V105 L129 D130 P132	T101-Y103 PolarHBondContact O-N 3.19Å; T101-Q104 PolarHBondContact O-N 3.19Å; T101-Q104 WeakPolarHBondContact OG1-CG 3.47Å; T101-Q104 PolarHBondContact OG1-N 2.85Å; T101-V105 PolarHBondContact O-N 3.4Å; T101-V105 VanDerWaalsContact O-N 3.12Å; T101-L129 WeakPolarHBondContact CB-O 3.49Å; T101-L129 PolarHBondContact OG1-O 3.11Å; T101-D130 WeakPolarHBondContact CG2-O 3.44Å; T101-P132 HydrophobicContact CG2-CG 4.47Å
102	P	96.4	Very high	94.1	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-52.9	-36	171.2	-27.2	34	0	0	0	113.5	V105 A106 A120 V122 L129 R131 L133 L139	P102-V105 PolarHBondContact O-N 3.07Å; P102-A106 PolarHBondContact O-N 3.33Å; P102-A120 HydrophobicContact CB-CB 3.57Å; P102-A120 HydrophobicContact CG-CB 3.91Å; P102-V122 HydrophobicContact CG-CG2 4.44Å; P102-L129 HydrophobicContact CB-CD2 4.04Å; P102-L129 WeakPolarHBondContact CD-O 3.35Å; P102-R131 WeakPolarHBondContact CD-O 3.48Å; P102-L133 HydrophobicContact CG-CD2 4.03Å; P102-L139 HydrophobicContact CB-CD1 3.97Å; P102-L139 HydrophobicContact CB-CD2 4.45Å; P102-L139 HydrophobicContact CG-CD1 4.32Å
103	Y	95.9	Very high	94	Very high	39 Å²	39	48.1 Å²	48.1	15%	0.153	27%	0.27	C	S	.	.	H	α-helix	trans	-62.6	-44.1	175.7	-173.4	-107.9	0	0	0	112.4	T101 V105 A106 C107 Q111 A114 L129 R268	T101-Y103 PolarHBondContact O-N 3.19Å; Y103-V105 VanDerWaalsContact C-N 3.33Å; Y103-V105 PolarHBondContact O-N 3.44Å; Y103-A106 WeakPolarHBondContact O-CB 3.47Å; Y103-A106 PolarHBondContact O-N 3.13Å; Y103-C107 WeakPolarHBondContact CE1-SG 3.36Å; Y103-C107 VanDerWaalsContact CZ-SG 3.52Å; Y103-C107 PolarHBondContact O-N 3.33Å; Y103-C107 PolarHBondContact O-SG 3.08Å; Y103-C107 VanDerWaalsContact O-SG 3.39Å; Y103-Q111 PolarHBondContact OH-NE2 2.81Å; Y103-A114 HydrophobicContact CD2-CB 4.26Å; Y103-A114 HydrophobicContact CE2-CB 3.72Å; Y103-L129 VanDerWaalsContact CB-O 3.26Å; Y103-L129 WeakPolarHBondContact CB-O 3.46Å; Y103-L129 PolarHBondContact N-O 3.35Å; Y103-R268 PolarHBondContact OH-NH1 3.35Å
104	Q	95.6	Very high	93.9	Very high	101 Å²	101	46.5 Å²	46.5	47%	0.472	26%	0.26	S	S	.	.	H	α-helix	trans	-64.6	-39.3	178.3	-72.2	170.2	-20.3	0	0	111.7	K99 T100 T101 A106 C107 G108	K99-Q104 PolarHBondContact O-OE1 3.48Å; T100-Q104 VanDerWaalsContact CA-OE1 3.24Å; T101-Q104 PolarHBondContact O-N 3.19Å; T101-Q104 WeakPolarHBondContact OG1-CG 3.47Å; T101-Q104 PolarHBondContact OG1-N 2.85Å; Q104-A106 VanDerWaalsContact C-N 3.34Å; Q104-C107 PolarHBondContact O-N 3.39Å; Q104-G108 PolarHBondContact O-N 3.21Å
105	V	95	Very high	93.6	Very high	8 Å²	8	44.3 Å²	44.3	5%	0.048	25%	0.253	C	S	.	.	H	α-helix	trans	-61.1	-44.5	172.6	179.2	0	0	0	0	110.5	L87 V93 T100 T101 P102 Y103 C107 G108 I109 L139	L87-V105 HydrophobicContact CD2-CG1 4.36Å; V93-V105 HydrophobicContact CG1-CG1 4.38Å; V93-V105 HydrophobicContact CG2-CG1 4.42Å; T100-V105 HydrophobicContact CG2-CG2 3.78Å; T101-V105 PolarHBondContact O-N 3.4Å; T101-V105 VanDerWaalsContact O-N 3.12Å; P102-V105 PolarHBondContact O-N 3.07Å; Y103-V105 VanDerWaalsContact C-N 3.33Å; Y103-V105 PolarHBondContact O-N 3.44Å; V105-C107 PolarHBondContact O-N 3.04Å; V105-G108 PolarHBondContact O-N 2.92Å; V105-I109 PolarHBondContact O-N 3.44Å; V105-L139 HydrophobicContact CB-CD2 3.93Å; V105-L139 HydrophobicContact CG1-CD2 3.78Å; V105-L139 HydrophobicContact CG2-CD2 4.29Å
106	A	94.7	Very high	93.5	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-60.8	-43.9	176.5	0	0	0	0	0	112.4	P102 Y103 Q104 G108 I109 S110 A114 L141	P102-A106 PolarHBondContact O-N 3.33Å; Y103-A106 WeakPolarHBondContact O-CB 3.47Å; Y103-A106 PolarHBondContact O-N 3.13Å; Q104-A106 VanDerWaalsContact C-N 3.34Å; A106-G108 VanDerWaalsContact C-N 3.3Å; A106-G108 PolarHBondContact O-N 2.96Å; A106-I109 PolarHBondContact O-N 2.91Å; A106-I109 VanDerWaalsContact O-N 3.12Å; A106-S110 PolarHBondContact O-N 3.14Å; A106-S110 VanDerWaalsContact O-O 3.06Å; A106-A114 HydrophobicContact CB-CB 3.83Å; A106-L141 HydrophobicContact CB-CD1 3.58Å; A106-L141 HydrophobicContact CB-CD2 4.13Å
107	C	94.8	Very high	93.6	Very high	40 Å²	40	44.8 Å²	44.8	27%	0.27	26%	0.257	S	S	.	.	H	α-helix	trans	-61.2	-38.4	175.3	-72.2	0	0	0	0	112.2	Y103 Q104 V105 I109 S110 A114	Y103-C107 WeakPolarHBondContact CE1-SG 3.36Å; Y103-C107 VanDerWaalsContact CZ-SG 3.52Å; Y103-C107 PolarHBondContact O-N 3.33Å; Y103-C107 PolarHBondContact O-SG 3.08Å; Y103-C107 VanDerWaalsContact O-SG 3.39Å; Q104-C107 PolarHBondContact O-N 3.39Å; V105-C107 PolarHBondContact O-N 3.04Å; C107-I109 PolarHBondContact O-N 3.49Å; C107-S110 PolarHBondContact O-N 2.8Å; C107-A114 HydrophobicContact CB-CB 4.47Å; C107-A114 VanDerWaalsContact SG-CB 3.54Å
108	G	92.2	Very high	93.6	Very high	71 Å²	71	45 Å²	45	73%	0.732	26%	0.257	S	S	*	.	H	α-helix	trans	-64.1	-23.4	175.5	0	0	0	0	0	113.9	Q104 V105 A106	Q104-G108 PolarHBondContact O-N 3.21Å; V105-G108 PolarHBondContact O-N 2.92Å; A106-G108 VanDerWaalsContact C-N 3.3Å; A106-G108 PolarHBondContact O-N 2.96Å
109	I	92.4	Very high	93.8	Very high	78 Å²	78	42.6 Å²	42.6	40%	0.4	25%	0.248	S	C	.	.	H	α-helix	trans	-83.4	-58	172.5	-60.3	166.3	0	0	0	110	L87 V105 A106 C107 L113 L141	L87-I109 HydrophobicContact CD1-CD1 3.82Å; V105-I109 PolarHBondContact O-N 3.44Å; A106-I109 PolarHBondContact O-N 2.91Å; A106-I109 VanDerWaalsContact O-N 3.12Å; C107-I109 PolarHBondContact O-N 3.49Å; I109-L113 HydrophobicContact CB-CD2 4.01Å; I109-L113 HydrophobicContact CD1-CD2 3.97Å; I109-L113 HydrophobicContact CG2-CD2 3.75Å; I109-L141 HydrophobicContact CD1-CD1 4.29Å
110	S	94	Very high	94	Very high	54 Å²	54	38.2 Å²	38.2	38%	0.378	23%	0.229	S	C	.	.			trans	-168.2	149	170.2	65.9	0	0	0	0	111.3	A106 C107 G112 L113 A114	A106-S110 PolarHBondContact O-N 3.14Å; A106-S110 VanDerWaalsContact O-O 3.06Å; C107-S110 PolarHBondContact O-N 2.8Å; S110-G112 VanDerWaalsContact C-N 3.28Å; S110-G112 PolarHBondContact O-N 2.77Å; S110-L113 PolarHBondContact O-N 3.48Å; S110-L113 VanDerWaalsContact OG-CB 3.25Å; S110-L113 WeakPolarHBondContact OG-CB 3.46Å; S110-L113 PolarHBondContact OG-N 2.91Å; S110-A114 PolarHBondContact O-N 3.03Å; S110-A114 VanDerWaalsContact O-N 3.16Å
111	Q	92.8	Very high	94.1	Very high	101 Å²	101	38.8 Å²	38.8	47%	0.472	23%	0.23	S	C	.	.	H	α-helix	trans	-60.2	-39.1	175.4	-168.6	61.5	46.6	0	0	112.3	Y103 L113 A114 D115	Y103-Q111 PolarHBondContact OH-NE2 2.81Å; Q111-L113 VanDerWaalsContact C-N 3.31Å; Q111-L113 PolarHBondContact O-N 3.32Å; Q111-A114 PolarHBondContact O-N 3.01Å; Q111-D115 PolarHBondContact NE2-OD1 2.97Å; Q111-D115 WeakPolarHBondContact O-CB 3.39Å; Q111-D115 VanDerWaalsContact O-CG 3.26Å; Q111-D115 PolarHBondContact O-N 2.94Å
112	G	92.1	Very high	94.1	Very high	40 Å²	40	38.6 Å²	38.6	41%	0.412	23%	0.228	S	C	.	.	H	α-helix	trans	-63.8	-33.6	178.6	0	0	0	0	0	113.4	S110 N116	S110-G112 VanDerWaalsContact C-N 3.28Å; S110-G112 PolarHBondContact O-N 2.77Å; G112-N116 WeakPolarHBondContact O-CB 3.38Å; G112-N116 PolarHBondContact O-N 2.92Å; G112-N116 PolarHBondContact O-ND2 3.25Å
113	L	91.9	Very high	94	Very high	37 Å²	37	43 Å²	43	19%	0.194	25%	0.252	C	S	.	.	H	α-helix	trans	-69.3	-47.5	173	180	62.4	0	0	0	110.8	I109 S110 Q111 D115 N116 T117 L141	I109-L113 HydrophobicContact CB-CD2 4.01Å; I109-L113 HydrophobicContact CD1-CD2 3.97Å; I109-L113 HydrophobicContact CG2-CD2 3.75Å; S110-L113 PolarHBondContact O-N 3.48Å; S110-L113 VanDerWaalsContact OG-CB 3.25Å; S110-L113 WeakPolarHBondContact OG-CB 3.46Å; S110-L113 PolarHBondContact OG-N 2.91Å; Q111-L113 VanDerWaalsContact C-N 3.31Å; Q111-L113 PolarHBondContact O-N 3.32Å; L113-D115 VanDerWaalsContact C-N 3.3Å; L113-D115 PolarHBondContact O-N 3.19Å; L113-N116 PolarHBondContact O-N 2.88Å; L113-T117 WeakPolarHBondContact O-CB 3.37Å; L113-T117 PolarHBondContact O-N 3.36Å; L113-T117 PolarHBondContact O-OG1 2.84Å; L113-L141 HydrophobicContact CD2-CD1 3.75Å; L113-L141 HydrophobicContact CG-CD1 4.13Å
114	A	92.1	Very high	93.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-59.2	-40.8	179.2	0	0	0	0	0	112.4	Y103 A106 C107 S110 Q111 T117	Y103-A114 HydrophobicContact CD2-CB 4.26Å; Y103-A114 HydrophobicContact CE2-CB 3.72Å; A106-A114 HydrophobicContact CB-CB 3.83Å; C107-A114 HydrophobicContact CB-CB 4.47Å; C107-A114 VanDerWaalsContact SG-CB 3.54Å; S110-A114 PolarHBondContact O-N 3.03Å; S110-A114 VanDerWaalsContact O-N 3.16Å; Q111-A114 PolarHBondContact O-N 3.01Å; A114-T117 PolarHBondContact O-N 2.99Å
115	D	89.3	Confident	93.7	Very high	83 Å²	83	45.5 Å²	45.5	44%	0.444	28%	0.277	S	S	.	.	H	α-helix	trans	-71.7	-29.1	180	-70.1	-12.8	0	0	0	113	Q111 L113 K272	Q111-D115 PolarHBondContact NE2-OD1 2.97Å; Q111-D115 WeakPolarHBondContact O-CB 3.39Å; Q111-D115 VanDerWaalsContact O-CG 3.26Å; Q111-D115 PolarHBondContact O-N 2.94Å; L113-D115 VanDerWaalsContact C-N 3.3Å; L113-D115 PolarHBondContact O-N 3.19Å; D115-K272 PolarHBondContact O-NZ 2.98Å
116	N	91.6	Very high	93.6	Very high	106 Å²	106	47.6 Å²	47.6	57%	0.567	29%	0.289	S	S	*	.	H	α-helix	trans	-90.7	-15.8	177	-72.5	-47.9	0	0	0	113.8	G112 L113 V118	G112-N116 WeakPolarHBondContact O-CB 3.38Å; G112-N116 PolarHBondContact O-N 2.92Å; G112-N116 PolarHBondContact O-ND2 3.25Å; L113-N116 PolarHBondContact O-N 2.88Å; N116-V118 PolarHBondContact O-N 3.2Å
117	T	95.3	Very high	93.6	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	30%	0.297	C	S	.	.			trans	-68.9	130.7	177.3	-57.3	0	0	0	0	109.7	L113 A114 I119 L129 L141 L142 K272	L113-T117 WeakPolarHBondContact O-CB 3.37Å; L113-T117 PolarHBondContact O-N 3.36Å; L113-T117 PolarHBondContact O-OG1 2.84Å; A114-T117 PolarHBondContact O-N 2.99Å; T117-I119 WeakPolarHBondContact CG2-O 3.47Å; T117-L129 HydrophobicContact CG2-CD1 3.98Å; T117-L129 HydrophobicContact CG2-CD2 3.73Å; T117-L129 HydrophobicContact CG2-CG 4.46Å; T117-L141 HydrophobicContact CG2-CB 3.87Å; T117-L141 HydrophobicContact CG2-CD2 4.04Å; T117-L142 WeakPolarHBondContact CG2-O 3.47Å; T117-K272 WeakPolarHBondContact O-CE 3.2Å; T117-K272 PolarHBondContact O-NZ 2.76Å
118	V	95.3	Very high	93.6	Very high	7 Å²	7	48.6 Å²	48.6	4%	0.042	29%	0.289	C	S	.	.			trans	-90.4	-50.1	177.4	174.2	0	0	0	0	109.7	N116 L129 L142 F144 A149 Y153 V267	N116-V118 PolarHBondContact O-N 3.2Å; V118-L129 WeakPolarHBondContact O-CD1 3.32Å; V118-L142 PolarHBondContact N-O 2.81Å; V118-F144 HydrophobicContact CG2-CB 4.14Å; V118-A149 HydrophobicContact CB-CB 4.02Å; V118-A149 HydrophobicContact CG1-CB 4.09Å; V118-Y153 HydrophobicContact CG1-CD2 4.2Å; V118-Y153 HydrophobicContact CG2-CD2 4.33Å; V118-V267 HydrophobicContact CG1-CG1 3.9Å
119	I	96.5	Very high	93.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	164.9	-176.3	-158.5	60.2	0	0	0	111.4	T117 W127 L142 A149 V152 P265	T117-I119 WeakPolarHBondContact CG2-O 3.47Å; I119-W127 WeakPolarHBondContact CD1-O 3.33Å; I119-W127 VanDerWaalsContact CG1-O 3.26Å; I119-W127 WeakPolarHBondContact CG1-O 3.33Å; I119-L142 HydrophobicContact CG2-CB 3.96Å; I119-L142 HydrophobicContact CG2-CD1 3.96Å; I119-L142 HydrophobicContact CG2-CG 4.4Å; I119-L142 PolarHBondContact N-O 2.72Å; I119-L142 PolarHBondContact O-N 2.8Å; I119-A149 HydrophobicContact CG2-CB 4.1Å; I119-V152 HydrophobicContact CB-CG1 4.26Å; I119-V152 HydrophobicContact CD1-CG1 4.09Å; I119-V152 HydrophobicContact CG1-CG1 4.1Å; I119-V152 HydrophobicContact CG1-CG2 4.41Å; I119-P265 HydrophobicContact CD1-CB 3.73Å; I119-P265 HydrophobicContact CD1-CG 3.77Å; I119-P265 HydrophobicContact CG1-CB 4.31Å; I119-P265 HydrophobicContact CG1-CG 3.79Å
120	A	96.6	Very high	93.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	155.1	171.2	0	0	0	0	0	111.4	P102 V122 V126 W127 L129 L139 Q140	P102-A120 HydrophobicContact CB-CB 3.57Å; P102-A120 HydrophobicContact CG-CB 3.91Å; A120-V122 HydrophobicContact CB-CG2 4.48Å; A120-V126 CarbonylContact O-C 3.56Å; A120-V126 WeakPolarHBondContact O-CA 3.44Å; A120-W127 PolarHBondContact N-O 2.95Å; A120-W127 VanDerWaalsContact N-O 3.15Å; A120-W127 PolarHBondContact O-N 3.33Å; A120-L129 HydrophobicContact CB-CD2 3.85Å; A120-L139 HydrophobicContact CB-CD1 3.7Å; A120-Q140 CarbonylContact C-O 3.58Å; A120-Q140 WeakPolarHBondContact CA-O 3.34Å
121	K	96.4	Very high	93.7	Very high	36 Å²	36	45.1 Å²	45.1	16%	0.157	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	113.4	166.8	-174	174.3	-167.1	152.5	0	108	N124 S125 L139 Q140 L142 E148	K121-N124 VanDerWaalsContact CE-CA 3.48Å; K121-N124 WeakPolarHBondContact CE-O 3.35Å; K121-S125 CarbonylContact C-O 3.55Å; K121-S125 WeakPolarHBondContact CA-O 3.4Å; K121-L139 WeakPolarHBondContact O-CA 3.41Å; K121-Q140 HydrophobicContact CB-CB 4.23Å; K121-Q140 PolarHBondContact N-O 2.83Å; K121-Q140 PolarHBondContact O-N 2.64Å; K121-L142 HydrophobicContact CB-CD1 4.18Å; K121-L142 HydrophobicContact CB-CG 4.41Å; K121-E148 IonicContact NZ-OE1 3.32Å; K121-E148 PolarHBondContact NZ-OE1 3.41Å; K121-E148 IonicContact NZ-OE2 3.61Å; K121-E148 PolarHBondContact NZ-OE2 2.84Å
122	V	95.9	Very high	93.8	Very high	9 Å²	9	41.8 Å²	41.8	6%	0.055	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	118.4	-177.3	-179.4	0	0	0	0	107.9	P102 A120 N124 S125 W127 L133 C137 S138 L139	P102-V122 HydrophobicContact CG-CG2 4.44Å; A120-V122 HydrophobicContact CB-CG2 4.48Å; V122-N124 VanDerWaalsContact C-N 3.29Å; V122-N124 PolarHBondContact O-N 3.32Å; V122-S125 PolarHBondContact N-O 2.89Å; V122-S125 PolarHBondContact O-N 3.16Å; V122-W127 HydrophobicContact CB-CB 4.19Å; V122-W127 HydrophobicContact CB-CD2 4.19Å; V122-W127 HydrophobicContact CB-CE3 4.23Å; V122-W127 HydrophobicContact CB-CG 4.23Å; V122-W127 HydrophobicContact CG2-CB 3.75Å; V122-W127 HydrophobicContact CG2-CD2 4.22Å; V122-W127 HydrophobicContact CG2-CG 3.82Å; V122-L133 HydrophobicContact CG1-CD2 4.19Å; V122-L133 HydrophobicContact CG2-CD2 3.97Å; V122-C137 HydrophobicContact CG1-CB 3.63Å; V122-S138 VanDerWaalsContact CA-O 3.3Å; V122-S138 WeakPolarHBondContact CA-O 3.36Å; V122-L139 HydrophobicContact CG2-CD1 3.99Å
123	N	94	Very high	93.9	Very high	92 Å²	92	40 Å²	40	49%	0.492	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	48.6	-176.6	-63.5	-26.2	0	0	0	112.7	S125 C137 S138	N123-S125 PolarHBondContact O-N 3.25Å; N123-C137 VanDerWaalsContact OD1-CA 3.23Å; N123-C137 WeakPolarHBondContact OD1-CA 3.34Å; N123-C137 WeakPolarHBondContact OD1-CB 3.4Å; N123-S138 PolarHBondContact N-O 2.88Å; N123-S138 PolarHBondContact OD1-N 2.92Å
124	N	90.9	Very high	94	Very high	127 Å²	127	42.2 Å²	42.2	68%	0.679	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.5	9.4	-176	-65	-21.8	0	0	0	116.7	K121 V122	K121-N124 VanDerWaalsContact CE-CA 3.48Å; K121-N124 WeakPolarHBondContact CE-O 3.35Å; V122-N124 VanDerWaalsContact C-N 3.29Å; V122-N124 PolarHBondContact O-N 3.32Å
125	S	93.3	Very high	94	Very high	67 Å²	67	43.6 Å²	43.6	47%	0.469	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	135.6	176	-60.1	0	0	0	0	111.5	K121 V122 N123	K121-S125 CarbonylContact C-O 3.55Å; K121-S125 WeakPolarHBondContact CA-O 3.4Å; V122-S125 PolarHBondContact N-O 2.89Å; V122-S125 PolarHBondContact O-N 3.16Å; N123-S125 PolarHBondContact O-N 3.25Å
126	V	94.2	Very high	94.4	Very high	52 Å²	52	44.6 Å²	44.6	32%	0.315	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	138.8	175.7	-68.4	0	0	0	0	111.5	A120 E148 P265	A120-V126 CarbonylContact O-C 3.56Å; A120-V126 WeakPolarHBondContact O-CA 3.44Å; V126-E148 HydrophobicContact CG1-CB 4.08Å; V126-E148 HydrophobicContact CG1-CG 4.48Å; V126-P265 HydrophobicContact CB-CG 3.93Å; V126-P265 HydrophobicContact CG2-CG 3.92Å
127	W	94.1	Very high	94.6	Very high	42 Å²	42	40 Å²	40	16%	0.159	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	137.2	-165.7	-156	-85.4	0	0	0	112.2	I119 A120 V122 R131	I119-W127 WeakPolarHBondContact CD1-O 3.33Å; I119-W127 VanDerWaalsContact CG1-O 3.26Å; I119-W127 WeakPolarHBondContact CG1-O 3.33Å; A120-W127 PolarHBondContact N-O 2.95Å; A120-W127 VanDerWaalsContact N-O 3.15Å; A120-W127 PolarHBondContact O-N 3.33Å; V122-W127 HydrophobicContact CB-CB 4.19Å; V122-W127 HydrophobicContact CB-CD2 4.19Å; V122-W127 HydrophobicContact CB-CE3 4.23Å; V122-W127 HydrophobicContact CB-CG 4.23Å; V122-W127 HydrophobicContact CG2-CB 3.75Å; V122-W127 HydrophobicContact CG2-CD2 4.22Å; V122-W127 HydrophobicContact CG2-CG 3.82Å; W127-R131 VanDerWaalsContact CE2-CD 3.41Å; W127-R131 VanDerWaalsContact CE2-CZ 3.49Å; W127-R131 VanDerWaalsContact CH2-NH1 3.26Å; W127-R131 HydrophobicContact CZ2-CG 4.21Å; W127-R131 VanDerWaalsContact CZ2-NH1 3.3Å; W127-R131 VanDerWaalsContact CZ2-NH2 3.29Å
128	D	94.6	Very high	94.6	Very high	19 Å²	19	42.5 Å²	42.5	10%	0.102	24%	0.236	C	C	.	.			trans	-60.1	138.2	177.8	-55	-84	0	0	0	111.8	D130 R131 Y253 P265 H266	D128-D130 PolarHBondContact O-N 2.81Å; D128-R131 HydrophobicContact CB-CB 4Å; D128-R131 PolarHBondContact O-N 3.3Å; D128-R131 VanDerWaalsContact O-N 3.17Å; D128-Y253 PolarHBondContact OD1-OH 3.44Å; D128-Y253 PolarHBondContact OD2-OH 3.4Å; D128-Y253 VanDerWaalsContact OD2-OH 3.05Å; D128-P265 HydrophobicContact CB-CB 4.38Å; D128-P265 VanDerWaalsContact CG-CB 3.45Å; D128-P265 VanDerWaalsContact OD1-CA 3.31Å; D128-P265 WeakPolarHBondContact OD1-CA 3.48Å; D128-P265 WeakPolarHBondContact OD1-CB 3.09Å; D128-H266 PolarHBondContact OD1-N 2.98Å
129	L	95.3	Very high	94.7	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.01	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-26.8	-177.6	-72.7	175.9	0	0	0	113.7	T101 P102 Y103 T117 V118 A120 L141 R268	T101-L129 WeakPolarHBondContact CB-O 3.49Å; T101-L129 PolarHBondContact OG1-O 3.11Å; P102-L129 HydrophobicContact CB-CD2 4.04Å; P102-L129 WeakPolarHBondContact CD-O 3.35Å; Y103-L129 VanDerWaalsContact CB-O 3.26Å; Y103-L129 WeakPolarHBondContact CB-O 3.46Å; Y103-L129 PolarHBondContact N-O 3.35Å; T117-L129 HydrophobicContact CG2-CD1 3.98Å; T117-L129 HydrophobicContact CG2-CD2 3.73Å; T117-L129 HydrophobicContact CG2-CG 4.46Å; V118-L129 WeakPolarHBondContact O-CD1 3.32Å; A120-L129 HydrophobicContact CB-CD2 3.85Å; L129-L141 HydrophobicContact CD2-CD2 4.34Å; L129-R268 HydrophobicContact CB-CG 3.84Å; L129-R268 HydrophobicContact CD1-CG 3.95Å; L129-R268 HydrophobicContact CG-CG 4.49Å
130	D	93.7	Very high	94.7	Very high	69 Å²	69	46 Å²	46	37%	0.369	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-2.4	179.7	-65.6	-59.8	0	0	0	113.3	T101 D128 P132 R268	T101-D130 WeakPolarHBondContact CG2-O 3.44Å; D128-D130 PolarHBondContact O-N 2.81Å; D130-P132 WeakPolarHBondContact O-CD 3.27Å; D130-R268 IonicContact OD1-CZ 2.97Å; D130-R268 VanDerWaalsContact OD1-CZ 3.24Å; D130-R268 IonicContact OD1-NE 3.12Å; D130-R268 PolarHBondContact OD1-NE 3.39Å; D130-R268 IonicContact OD1-NH2 2.73Å; D130-R268 PolarHBondContact OD1-NH2 3.22Å; D130-R268 VanDerWaalsContact OD2-CG 3.27Å; D130-R268 WeakPolarHBondContact OD2-CG 3.37Å; D130-R268 IonicContact OD2-CZ 3.23Å; D130-R268 IonicContact OD2-NE 3.24Å; D130-R268 PolarHBondContact OD2-NE 3.44Å; D130-R268 IonicContact OD2-NH2 2.88Å
131	R	92.4	Very high	94.7	Very high	59 Å²	59	47.3 Å²	47.3	22%	0.223	26%	0.259	C	S	.	.	S	Bend	trans	-77.1	125.2	176.7	179	174.1	171.7	-159.6	-0.7	109.6	P102 W127 D128 E134	P102-R131 WeakPolarHBondContact CD-O 3.48Å; W127-R131 VanDerWaalsContact CE2-CD 3.41Å; W127-R131 VanDerWaalsContact CE2-CZ 3.49Å; W127-R131 VanDerWaalsContact CH2-NH1 3.26Å; W127-R131 HydrophobicContact CZ2-CG 4.21Å; W127-R131 VanDerWaalsContact CZ2-NH1 3.3Å; W127-R131 VanDerWaalsContact CZ2-NH2 3.29Å; D128-R131 HydrophobicContact CB-CB 4Å; D128-R131 PolarHBondContact O-N 3.3Å; D128-R131 VanDerWaalsContact O-N 3.17Å; R131-E134 IonicContact CZ-OE1 2.66Å; R131-E134 IonicContact NE-OE1 3.08Å; R131-E134 IonicContact NH2-OE1 2.85Å; R131-E134 PolarHBondContact NH2-OE1 3.28Å
132	P	93.5	Very high	94.7	Very high	31 Å²	31	45.7 Å²	45.7	20%	0.201	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-58.5	145.9	177.6	-25	34.5	0	0	0	112.8	T101 D130	T101-P132 HydrophobicContact CG2-CG 4.47Å; D130-P132 WeakPolarHBondContact O-CD 3.27Å
133	L	94.6	Very high	94.6	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-75.9	134.9	173.2	-63.5	173.9	0	0	0	109.6	I83 V85 S97 W98 T100 P102 V122	I83-L133 HydrophobicContact CD1-CB 3.72Å; I83-L133 HydrophobicContact CD1-CD1 4.46Å; V85-L133 HydrophobicContact CG2-CD1 3.55Å; S97-L133 CarbonylContact C-O 3.6Å; S97-L133 VanDerWaalsContact CA-O 3.25Å; S97-L133 WeakPolarHBondContact CA-O 3.45Å; W98-L133 PolarHBondContact N-O 3.47Å; T100-L133 PolarHBondContact O-N 3.05Å; P102-L133 HydrophobicContact CG-CD2 4.03Å; V122-L133 HydrophobicContact CG1-CD2 4.19Å; V122-L133 HydrophobicContact CG2-CD2 3.97Å
134	E	93.7	Very high	94.6	Very high	85 Å²	85	45.9 Å²	45.9	40%	0.397	25%	0.248	S	C	.	.			trans	-98.3	-16	-171.7	-61.2	175.7	-161.6	0	0	112.7	W98 R131	W98-E134 HydrophobicContact CE3-CG 4.32Å; W98-E134 HydrophobicContact CH2-CB 4.43Å; W98-E134 HydrophobicContact CH2-CG 3.69Å; W98-E134 HydrophobicContact CZ2-CB 4.16Å; W98-E134 HydrophobicContact CZ2-CG 3.91Å; W98-E134 HydrophobicContact CZ3-CG 3.92Å; R131-E134 IonicContact CZ-OE1 2.66Å; R131-E134 IonicContact NE-OE1 3.08Å; R131-E134 IonicContact NH2-OE1 2.85Å; R131-E134 PolarHBondContact NH2-OE1 3.28Å
135	G	93.9	Very high	94.6	Very high	29 Å²	29	46.2 Å²	46.2	30%	0.299	25%	0.25	S	C	.	.	S	Bend	trans	-170.3	-175.4	-175	0	0	0	0	0	112.4	I83 C137	I83-G135 WeakPolarHBondContact CD1-O 3.37Å; G135-C137 PolarHBondContact O-N 2.74Å
136	D	95.9	Very high	94.6	Very high	103 Å²	103	45.8 Å²	45.8	55%	0.551	24%	0.242	S	C	*	.	S	Bend	trans	-56	134.2	171.2	-70.7	-4.2	0	0	0	110.4	I83 K84	I83-D136 WeakPolarHBondContact CA-OD1 2.84Å; I83-D136 WeakPolarHBondContact CB-OD1 3.48Å; K84-D136 PolarHBondContact N-OD1 2.97Å; K84-D136 WeakPolarHBondContact O-CA 3.31Å
137	C	95.8	Very high	94.5	Very high	10 Å²	10	51.3 Å²	51.3	7%	0.068	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	158.2	-176.4	59.6	0	0	0	0	113.7	K84 V85 T86 V122 N123 G135	K84-C137 PolarHBondContact O-N 3.01Å; K84-C137 VanDerWaalsContact O-N 3.14Å; V85-C137 WeakPolarHBondContact CA-O 3.43Å; T86-C137 PolarHBondContact N-O 3.08Å; V122-C137 HydrophobicContact CG1-CB 3.63Å; N123-C137 VanDerWaalsContact OD1-CA 3.23Å; N123-C137 WeakPolarHBondContact OD1-CA 3.34Å; N123-C137 WeakPolarHBondContact OD1-CB 3.4Å; G135-C137 PolarHBondContact O-N 2.74Å
138	S	96.7	Very high	94.5	Very high	52 Å²	52	53.1 Å²	53.1	36%	0.364	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	134.2	158.6	61.2	0	0	0	0	109.5	T86 V122 N123	T86-S138 CarbonylContact O-C 3.46Å; T86-S138 WeakPolarHBondContact O-CA 3.48Å; V122-S138 VanDerWaalsContact CA-O 3.3Å; V122-S138 WeakPolarHBondContact CA-O 3.36Å; N123-S138 PolarHBondContact N-O 2.88Å; N123-S138 PolarHBondContact OD1-N 2.92Å
139	L	96.5	Very high	94.5	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.016	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	123.1	179.6	174.9	64.7	0	0	0	110.2	V85 T86 L87 P88 P102 V105 A120 K121 V122 L141	V85-L139 HydrophobicContact CG1-CB 3.47Å; V85-L139 VanDerWaalsContact CG1-CB 3.47Å; V85-L139 HydrophobicContact CG1-CD2 3.77Å; V85-L139 HydrophobicContact CG1-CG 4.26Å; T86-L139 PolarHBondContact O-N 3.36Å; L87-L139 HydrophobicContact CD2-CB 4.37Å; L87-L139 HydrophobicContact CD2-CD2 4.3Å; L87-L139 HydrophobicContact CD2-CG 4.45Å; P88-L139 WeakPolarHBondContact CD-O 3.36Å; P102-L139 HydrophobicContact CB-CD1 3.97Å; P102-L139 HydrophobicContact CB-CD2 4.45Å; P102-L139 HydrophobicContact CG-CD1 4.32Å; V105-L139 HydrophobicContact CB-CD2 3.93Å; V105-L139 HydrophobicContact CG1-CD2 3.78Å; V105-L139 HydrophobicContact CG2-CD2 4.29Å; A120-L139 HydrophobicContact CB-CD1 3.7Å; K121-L139 WeakPolarHBondContact O-CA 3.41Å; V122-L139 HydrophobicContact CG2-CD1 3.99Å; L139-L141 HydrophobicContact CD1-CD2 4.28Å; L139-L141 HydrophobicContact CD2-CD2 4.35Å; L139-L141 HydrophobicContact CG-CD2 4.38Å
140	Q	96.5	Very high	94.5	Very high	77 Å²	77	54.4 Å²	54.4	36%	0.36	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	132.4	168.2	-177.8	-175.7	4	0	0	109.3	P88 A120 K121 L142	P88-Q140 HydrophobicContact CG-CB 4.21Å; P88-Q140 HydrophobicContact CG-CG 4.15Å; A120-Q140 CarbonylContact C-O 3.58Å; A120-Q140 WeakPolarHBondContact CA-O 3.34Å; K121-Q140 HydrophobicContact CB-CB 4.23Å; K121-Q140 PolarHBondContact N-O 2.83Å; K121-Q140 PolarHBondContact O-N 2.64Å; Q140-L142 HydrophobicContact CG-CD2 3.78Å
141	L	96	Very high	94.6	Very high	29 Å²	29	53 Å²	53	15%	0.152	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	115.1	178	-61.9	171.7	0	0	0	108.4	A106 I109 L113 T117 L129 L139	A106-L141 HydrophobicContact CB-CD1 3.58Å; A106-L141 HydrophobicContact CB-CD2 4.13Å; I109-L141 HydrophobicContact CD1-CD1 4.29Å; L113-L141 HydrophobicContact CD2-CD1 3.75Å; L113-L141 HydrophobicContact CG-CD1 4.13Å; T117-L141 HydrophobicContact CG2-CB 3.87Å; T117-L141 HydrophobicContact CG2-CD2 4.04Å; L129-L141 HydrophobicContact CD2-CD2 4.34Å; L139-L141 HydrophobicContact CD1-CD2 4.28Å; L139-L141 HydrophobicContact CD2-CD2 4.35Å; L139-L141 HydrophobicContact CG-CD2 4.38Å
142	L	96.3	Very high	94.7	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.01	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	136.9	-175.2	-56.4	-178.8	0	0	0	110.9	T117 V118 I119 K121 Q140 D146 E148 A149	T117-L142 WeakPolarHBondContact CG2-O 3.47Å; V118-L142 PolarHBondContact N-O 2.81Å; I119-L142 HydrophobicContact CG2-CB 3.96Å; I119-L142 HydrophobicContact CG2-CD1 3.96Å; I119-L142 HydrophobicContact CG2-CG 4.4Å; I119-L142 PolarHBondContact N-O 2.72Å; I119-L142 PolarHBondContact O-N 2.8Å; K121-L142 HydrophobicContact CB-CD1 4.18Å; K121-L142 HydrophobicContact CB-CG 4.41Å; Q140-L142 HydrophobicContact CG-CD2 3.78Å; L142-D146 WeakPolarHBondContact CA-OD2 3.12Å; L142-D146 HydrophobicContact CB-CB 4.17Å; L142-D146 HydrophobicContact CD2-CB 4.21Å; L142-E148 HydrophobicContact CD1-CB 4Å; L142-A149 HydrophobicContact CB-CB 3.9Å
143	K	95	Very high	94.9	Very high	93 Å²	93	49.4 Å²	49.4	40%	0.404	26%	0.262	S	S	.	.			trans	-103.5	173	176.2	-64.5	179.7	-174.9	174.1	0	109.4	D145 D146 A149	K143-D145 PolarHBondContact O-N 3.26Å; K143-D146 PolarHBondContact N-OD2 3.15Å; K143-D146 WeakPolarHBondContact O-CB 3.2Å; K143-D146 PolarHBondContact O-N 3.45Å; K143-A149 WeakPolarHBondContact O-CB 2.87Å
144	F	93.9	Very high	95.1	Very high	12 Å²	12	50 Å²	50	5%	0.053	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-16.8	-179.3	-172.2	-98.8	0	0	0	114.3	V118 D146 Q150 Y153 W154 F303 P304 M308	V118-F144 HydrophobicContact CG2-CB 4.14Å; F144-D146 VanDerWaalsContact C-N 3.26Å; F144-D146 PolarHBondContact O-N 3.09Å; F144-Q150 HydrophobicContact CD2-CG 4.31Å; F144-Q150 HydrophobicContact CE1-CG 4.41Å; F144-Q150 HydrophobicContact CE2-CG 4.14Å; F144-Q150 HydrophobicContact CZ-CG 4.2Å; F144-Q150 WeakPolarHBondContact O-CG 3.47Å; F144-Q150 PolarHBondContact O-NE2 3.04Å; F144-Y153 HydrophobicContact CD2-CD1 4Å; F144-Y153 AromaticContact CD2-CD2 3.9Å; F144-Y153 HydrophobicContact CD2-CD2 3.9Å; F144-Y153 HydrophobicContact CD2-CE1 4.37Å; F144-Y153 HydrophobicContact CD2-CE2 4.29Å; F144-Y153 AromaticContact CD2-CG 3.74Å; F144-Y153 HydrophobicContact CD2-CG 3.74Å; F144-Y153 AromaticContact CE2-CD1 3.45Å; F144-Y153 HydrophobicContact CE2-CD1 3.45Å; F144-Y153 VanDerWaalsContact CE2-CD1 3.45Å; F144-Y153 HydrophobicContact CE2-CD2 4.22Å; F144-Y153 AromaticContact CE2-CE1 3.83Å; F144-Y153 HydrophobicContact CE2-CE1 3.83Å; F144-Y153 AromaticContact CE2-CG 3.66Å; F144-Y153 HydrophobicContact CE2-CG 3.66Å; F144-Y153 HydrophobicContact CZ-CD1 4.5Å; F144-W154 HydrophobicContact CZ-CZ2 4.31Å; F144-F303 AromaticContact CE1-CD1 3.93Å; F144-F303 HydrophobicContact CE1-CD1 3.93Å; F144-F303 HydrophobicContact CE1-CE1 4.46Å; F144-F303 AromaticContact CZ-CD1 3.88Å; F144-F303 HydrophobicContact CZ-CD1 3.88Å; F144-F303 HydrophobicContact CZ-CE1 4.4Å; F144-P304 HydrophobicContact CB-CG 3.87Å; F144-P304 HydrophobicContact CD1-CG 3.73Å; F144-P304 HydrophobicContact CD2-CG 4.1Å; F144-P304 HydrophobicContact CE1-CG 4.32Å; F144-P304 HydrophobicContact CG-CG 3.6Å; F144-M308 HydrophobicContact CD1-CE 3.91Å; F144-M308 HydrophobicContact CD1-SD 4.42Å; F144-M308 HydrophobicContact CE1-CE 3.62Å; F144-M308 HydrophobicContact CE1-SD 4.38Å
145	D	91.4	Very high	95.2	Very high	134 Å²	134	47.4 Å²	47.4	72%	0.717	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-12.7	177.3	-56	-34.6	0	0	0	112.8	K143	K143-D145 PolarHBondContact O-N 3.26Å
146	D	93.7	Very high	95.4	Very high	57 Å²	57	46 Å²	46	31%	0.305	24%	0.237	S	C	.	.	S	Bend	trans	-86.2	131.7	176.2	-58.3	-71.7	0	0	0	110.8	L142 K143 F144 E148 A149 Q150	L142-D146 WeakPolarHBondContact CA-OD2 3.12Å; L142-D146 HydrophobicContact CB-CB 4.17Å; L142-D146 HydrophobicContact CD2-CB 4.21Å; K143-D146 PolarHBondContact N-OD2 3.15Å; K143-D146 WeakPolarHBondContact O-CB 3.2Å; K143-D146 PolarHBondContact O-N 3.45Å; F144-D146 VanDerWaalsContact C-N 3.26Å; F144-D146 PolarHBondContact O-N 3.09Å; D146-E148 VanDerWaalsContact C-N 3.34Å; D146-E148 PolarHBondContact O-N 2.76Å; D146-A149 HydrophobicContact CB-CB 4.11Å; D146-A149 WeakPolarHBondContact O-CA 3.43Å; D146-A149 WeakPolarHBondContact O-CB 3.38Å; D146-A149 PolarHBondContact O-N 3.02Å; D146-Q150 PolarHBondContact O-N 3.41Å
147	E	91.3	Very high	95.5	Very high	168 Å²	168	41.1 Å²	41.1	79%	0.785	21%	0.211	S	C	*	.	H	α-helix	trans	-56.1	-43.6	-176.8	-68.7	-177.5	175.4	0	0	113.2	A149 Q150 A151	E147-A149 VanDerWaalsContact C-N 3.27Å; E147-A149 PolarHBondContact O-N 3.45Å; E147-Q150 PolarHBondContact O-N 3.03Å; E147-A151 PolarHBondContact O-N 3.28Å
148	E	93	Very high	95.5	Very high	80 Å²	80	40.7 Å²	40.7	37%	0.374	21%	0.208	S	C	.	.	H	α-helix	trans	-61.9	-35.6	177.2	-70.2	179.2	133.9	0	0	111.9	K121 V126 L142 D146 V152	K121-E148 IonicContact NZ-OE1 3.32Å; K121-E148 PolarHBondContact NZ-OE1 3.41Å; K121-E148 IonicContact NZ-OE2 3.61Å; K121-E148 PolarHBondContact NZ-OE2 2.84Å; V126-E148 HydrophobicContact CG1-CB 4.08Å; V126-E148 HydrophobicContact CG1-CG 4.48Å; L142-E148 HydrophobicContact CD1-CB 4Å; D146-E148 VanDerWaalsContact C-N 3.34Å; D146-E148 PolarHBondContact O-N 2.76Å; E148-V152 WeakPolarHBondContact O-CG2 3.31Å; E148-V152 PolarHBondContact O-N 3.3Å
149	A	95.3	Very high	95.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-74.4	-37.2	177.3	0	0	0	0	0	112.2	V118 I119 L142 K143 D146 E147 A151 V152 Y153	V118-A149 HydrophobicContact CB-CB 4.02Å; V118-A149 HydrophobicContact CG1-CB 4.09Å; I119-A149 HydrophobicContact CG2-CB 4.1Å; L142-A149 HydrophobicContact CB-CB 3.9Å; K143-A149 WeakPolarHBondContact O-CB 2.87Å; D146-A149 HydrophobicContact CB-CB 4.11Å; D146-A149 WeakPolarHBondContact O-CA 3.43Å; D146-A149 WeakPolarHBondContact O-CB 3.38Å; D146-A149 PolarHBondContact O-N 3.02Å; E147-A149 VanDerWaalsContact C-N 3.27Å; E147-A149 PolarHBondContact O-N 3.45Å; A149-A151 VanDerWaalsContact C-N 3.32Å; A149-A151 PolarHBondContact O-N 3.13Å; A149-V152 PolarHBondContact O-N 2.96Å; A149-Y153 WeakPolarHBondContact O-CB 3.34Å; A149-Y153 PolarHBondContact O-N 3.31Å
150	Q	95.5	Very high	95.6	Very high	49 Å²	49	38.1 Å²	38.1	23%	0.229	19%	0.19	C	C	.	.	H	α-helix	trans	-59.5	-45.2	173.1	-67.6	-177.3	-7.7	0	0	111.2	F144 D146 E147 V152 Y153 W154	F144-Q150 HydrophobicContact CD2-CG 4.31Å; F144-Q150 HydrophobicContact CE1-CG 4.41Å; F144-Q150 HydrophobicContact CE2-CG 4.14Å; F144-Q150 HydrophobicContact CZ-CG 4.2Å; F144-Q150 WeakPolarHBondContact O-CG 3.47Å; F144-Q150 PolarHBondContact O-NE2 3.04Å; D146-Q150 PolarHBondContact O-N 3.41Å; E147-Q150 PolarHBondContact O-N 3.03Å; Q150-V152 PolarHBondContact O-N 3.48Å; Q150-Y153 WeakPolarHBondContact O-CB 3.15Å; Q150-Y153 PolarHBondContact O-N 2.95Å; Q150-W154 HydrophobicContact CB-CE3 4.19Å; Q150-W154 HydrophobicContact CB-CH2 3.92Å; Q150-W154 HydrophobicContact CB-CZ2 4.28Å; Q150-W154 HydrophobicContact CB-CZ3 3.88Å; Q150-W154 HydrophobicContact CG-CH2 4.46Å; Q150-W154 WeakPolarHBondContact O-CB 3.47Å; Q150-W154 PolarHBondContact O-N 3.41Å
151	A	95.2	Very high	95.6	Very high	39 Å²	39	34.5 Å²	34.5	32%	0.322	17%	0.173	S	C	.	.	H	α-helix	trans	-57.9	-48.6	176.8	0	0	0	0	0	111.7	E147 A149 Y153 W154 H155 P178	E147-A151 PolarHBondContact O-N 3.28Å; A149-A151 VanDerWaalsContact C-N 3.32Å; A149-A151 PolarHBondContact O-N 3.13Å; A151-Y153 VanDerWaalsContact C-N 3.35Å; A151-Y153 PolarHBondContact O-N 3.18Å; A151-W154 PolarHBondContact O-N 2.96Å; A151-H155 WeakPolarHBondContact O-CB 3.5Å; A151-H155 PolarHBondContact O-N 3.37Å; A151-P178 HydrophobicContact CB-CB 4.41Å; A151-P178 HydrophobicContact CB-CG 4.2Å; A151-P178 VanDerWaalsContact O-CB 3.27Å; A151-P178 WeakPolarHBondContact O-CB 3.22Å; A151-P178 WeakPolarHBondContact O-CG 3.49Å
152	V	95.9	Very high	95.6	Very high	11 Å²	11	33.1 Å²	33.1	7%	0.067	17%	0.166	C	C	.	.	H	α-helix	trans	-64.4	-38.8	177.2	170.8	0	0	0	0	112.2	I119 E148 A149 Q150 H155 S156 P265	I119-V152 HydrophobicContact CB-CG1 4.26Å; I119-V152 HydrophobicContact CD1-CG1 4.09Å; I119-V152 HydrophobicContact CG1-CG1 4.1Å; I119-V152 HydrophobicContact CG1-CG2 4.41Å; E148-V152 WeakPolarHBondContact O-CG2 3.31Å; E148-V152 PolarHBondContact O-N 3.3Å; A149-V152 PolarHBondContact O-N 2.96Å; Q150-V152 PolarHBondContact O-N 3.48Å; V152-H155 PolarHBondContact O-N 3.42Å; V152-S156 WeakPolarHBondContact O-CB 3.27Å; V152-S156 PolarHBondContact O-N 2.97Å; V152-S156 PolarHBondContact O-OG 3.36Å; V152-P265 HydrophobicContact CG1-CG 4.33Å; V152-P265 WeakPolarHBondContact CG1-O 3.35Å; V152-P265 HydrophobicContact CG2-CG 3.86Å
153	Y	97.1	Very high	95.6	Very high	4 Å²	4	33 Å²	33	2%	0.016	17%	0.166	C	C	.	.	H	α-helix	trans	-63.7	-47.8	178.5	-174.9	-83.4	0	0	0	111.9	V118 F144 A149 Q150 A151 S156 S157 V267 I273 S302 F303 P304	V118-Y153 HydrophobicContact CG1-CD2 4.2Å; V118-Y153 HydrophobicContact CG2-CD2 4.33Å; F144-Y153 HydrophobicContact CD2-CD1 4Å; F144-Y153 AromaticContact CD2-CD2 3.9Å; F144-Y153 HydrophobicContact CD2-CD2 3.9Å; F144-Y153 HydrophobicContact CD2-CE1 4.37Å; F144-Y153 HydrophobicContact CD2-CE2 4.29Å; F144-Y153 AromaticContact CD2-CG 3.74Å; F144-Y153 HydrophobicContact CD2-CG 3.74Å; F144-Y153 AromaticContact CE2-CD1 3.45Å; F144-Y153 HydrophobicContact CE2-CD1 3.45Å; F144-Y153 VanDerWaalsContact CE2-CD1 3.45Å; F144-Y153 HydrophobicContact CE2-CD2 4.22Å; F144-Y153 AromaticContact CE2-CE1 3.83Å; F144-Y153 HydrophobicContact CE2-CE1 3.83Å; F144-Y153 AromaticContact CE2-CG 3.66Å; F144-Y153 HydrophobicContact CE2-CG 3.66Å; F144-Y153 HydrophobicContact CZ-CD1 4.5Å; A149-Y153 WeakPolarHBondContact O-CB 3.34Å; A149-Y153 PolarHBondContact O-N 3.31Å; Q150-Y153 WeakPolarHBondContact O-CB 3.15Å; Q150-Y153 PolarHBondContact O-N 2.95Å; A151-Y153 VanDerWaalsContact C-N 3.35Å; A151-Y153 PolarHBondContact O-N 3.18Å; Y153-S156 PolarHBondContact O-N 2.69Å; Y153-S157 PolarHBondContact O-N 3.28Å; Y153-S157 PolarHBondContact O-OG 3.2Å; Y153-V267 HydrophobicContact CD2-CG1 4.2Å; Y153-I273 HydrophobicContact CD1-CD1 3.93Å; Y153-I273 HydrophobicContact CD2-CD1 3.82Å; Y153-I273 HydrophobicContact CE1-CD1 3.58Å; Y153-I273 HydrophobicContact CE1-CG2 4.47Å; Y153-I273 HydrophobicContact CE2-CD1 3.44Å; Y153-I273 VanDerWaalsContact CE2-CD1 3.44Å; Y153-I273 HydrophobicContact CG-CD1 4.05Å; Y153-I273 VanDerWaalsContact OH-CA 3.29Å; Y153-I273 WeakPolarHBondContact OH-CA 3.12Å; Y153-S302 VanDerWaalsContact CE1-OG 3.31Å; Y153-S302 WeakPolarHBondContact CE1-OG 3.38Å; Y153-F303 PolarHBondContact OH-O 3.47Å; Y153-P304 HydrophobicContact CE2-CB 4.33Å; Y153-P304 WeakPolarHBondContact OH-CA 3.47Å
154	W	97.6	Very high	95.6	Very high	13 Å²	13	28.6 Å²	28.6	5%	0.049	15%	0.146	C	C	.	.	H	α-helix	trans	-69.4	-35.5	176.5	-68	-32.6	0	0	0	112.1	F144 Q150 A151 S156 S157 A158 P178 I179 G182 F183 I301 S302	F144-W154 HydrophobicContact CZ-CZ2 4.31Å; Q150-W154 HydrophobicContact CB-CE3 4.19Å; Q150-W154 HydrophobicContact CB-CH2 3.92Å; Q150-W154 HydrophobicContact CB-CZ2 4.28Å; Q150-W154 HydrophobicContact CB-CZ3 3.88Å; Q150-W154 HydrophobicContact CG-CH2 4.46Å; Q150-W154 WeakPolarHBondContact O-CB 3.47Å; Q150-W154 PolarHBondContact O-N 3.41Å; A151-W154 PolarHBondContact O-N 2.96Å; W154-S156 VanDerWaalsContact C-N 3.32Å; W154-S156 PolarHBondContact O-N 3.27Å; W154-S157 CarbonylContact O-C 3.54Å; W154-S157 WeakPolarHBondContact O-CA 3.45Å; W154-S157 WeakPolarHBondContact O-CB 3.39Å; W154-S157 PolarHBondContact O-N 2.84Å; W154-S157 VanDerWaalsContact O-N 3.07Å; W154-A158 PolarHBondContact O-N 2.94Å; W154-P178 HydrophobicContact CB-CB 4.03Å; W154-I179 VanDerWaalsContact CE3-O 3.26Å; W154-I179 WeakPolarHBondContact CZ3-O 3.45Å; W154-G182 VanDerWaalsContact CB-O 3.32Å; W154-G182 WeakPolarHBondContact CB-O 3.34Å; W154-F183 HydrophobicContact CB-CB 4.2Å; W154-F183 HydrophobicContact CB-CD1 4.03Å; W154-F183 HydrophobicContact CG-CD1 4.43Å; W154-F183 WeakPolarHBondContact O-CD1 3.5Å; W154-F183 WeakPolarHBondContact O-CG 3.33Å; W154-I301 HydrophobicContact CZ2-CD1 4.34Å; W154-S302 PolarHBondContact NE1-O 3.35Å
155	H	96.8	Very high	95.6	Very high	31 Å²	31	28 Å²	28	14%	0.144	14%	0.144	C	C	.	.	H	α-helix	trans	-61.3	-41.8	173.2	-175	46.4	0	0	0	112.3	A151 V152 S157 A158 H159 G176 P178 C262 H266	A151-H155 WeakPolarHBondContact O-CB 3.5Å; A151-H155 PolarHBondContact O-N 3.37Å; V152-H155 PolarHBondContact O-N 3.42Å; H155-S157 VanDerWaalsContact C-N 3.28Å; H155-S157 PolarHBondContact O-N 3.01Å; H155-A158 VanDerWaalsContact O-CB 3.29Å; H155-A158 WeakPolarHBondContact O-CB 3.39Å; H155-A158 PolarHBondContact O-N 3.33Å; H155-H159 AromaticContact CE1-NE2 3.62Å; H155-H159 AromaticContact NE2-NE2 3.82Å; H155-H159 PolarHBondContact O-CD2 3.29Å; H155-H159 PolarHBondContact O-N 3.17Å; H155-G176 PolarHBondContact ND1-O 2.69Å; H155-G176 VanDerWaalsContact ND1-O 3.15Å; H155-P178 HydrophobicContact CB-CB 4.35Å; H155-P178 HydrophobicContact CB-CG 4.1Å; H155-C262 PolarHBondContact NE2-SG 3.26Å; H155-H266 AromaticContact CD2-CE1 3.32Å; H155-H266 PolarHBondContact CD2-CE1 3.38Å; H155-H266 AromaticContact CD2-ND1 3.99Å; H155-H266 AromaticContact CD2-NE2 3.73Å; H155-H266 AromaticContact NE2-CE1 3.43Å; H155-H266 PolarHBondContact NE2-CE1 2.91Å; H155-H266 AromaticContact NE2-NE2 3.52Å
156	S	97.4	Very high	95.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-64.8	-33.6	172.8	-54.4	0	0	0	0	112.5	V152 Y153 W154 A158 H159 I160 H266 V267	V152-S156 WeakPolarHBondContact O-CB 3.27Å; V152-S156 PolarHBondContact O-N 2.97Å; V152-S156 PolarHBondContact O-OG 3.36Å; Y153-S156 PolarHBondContact O-N 2.69Å; W154-S156 VanDerWaalsContact C-N 3.32Å; W154-S156 PolarHBondContact O-N 3.27Å; S156-A158 VanDerWaalsContact C-N 3.34Å; S156-H159 PolarHBondContact O-N 2.85Å; S156-I160 PolarHBondContact O-N 2.74Å; S156-H266 WeakPolarHBondContact CA-ND1 3.18Å; S156-H266 WeakPolarHBondContact OG-CA 3.15Å; S156-H266 PolarHBondContact OG-ND1 2.62Å; S156-H266 VanDerWaalsContact OG-ND1 3.09Å; S156-V267 PolarHBondContact OG-N 3.41Å
157	S	97.7	Very high	95.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-70.2	-31.5	174.8	-56.5	0	0	0	0	112.4	Y153 W154 H155 H159 I160 L161 I273 S302	Y153-S157 PolarHBondContact O-N 3.28Å; Y153-S157 PolarHBondContact O-OG 3.2Å; W154-S157 CarbonylContact O-C 3.54Å; W154-S157 WeakPolarHBondContact O-CA 3.45Å; W154-S157 WeakPolarHBondContact O-CB 3.39Å; W154-S157 PolarHBondContact O-N 2.84Å; W154-S157 VanDerWaalsContact O-N 3.07Å; H155-S157 VanDerWaalsContact C-N 3.28Å; H155-S157 PolarHBondContact O-N 3.01Å; S157-H159 VanDerWaalsContact C-N 3.33Å; S157-I160 WeakPolarHBondContact O-CB 3.3Å; S157-I160 PolarHBondContact O-N 3.14Å; S157-L161 PolarHBondContact O-N 3.5Å; S157-L161 VanDerWaalsContact O-N 3.08Å; S157-I273 WeakPolarHBondContact OG-CD1 3.25Å; S157-S302 VanDerWaalsContact CB-OG 3.26Å; S157-S302 WeakPolarHBondContact CB-OG 3.22Å; S157-S302 PolarHBondContact OG-OG 3.37Å
158	A	97.5	Very high	95.7	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-60.3	-43.5	170.7	0	0	0	0	0	110.7	W154 H155 S156 I160 L161 G162 G176 F183 Y185	W154-A158 PolarHBondContact O-N 2.94Å; H155-A158 VanDerWaalsContact O-CB 3.29Å; H155-A158 WeakPolarHBondContact O-CB 3.39Å; H155-A158 PolarHBondContact O-N 3.33Å; S156-A158 VanDerWaalsContact C-N 3.34Å; A158-I160 VanDerWaalsContact C-N 3.33Å; A158-I160 PolarHBondContact O-N 3.43Å; A158-L161 CarbonylContact O-C 3.53Å; A158-L161 WeakPolarHBondContact O-CA 3.48Å; A158-L161 WeakPolarHBondContact O-CB 3.38Å; A158-L161 PolarHBondContact O-N 3.39Å; A158-L161 VanDerWaalsContact O-N 3.08Å; A158-G162 PolarHBondContact O-N 3.02Å; A158-G176 WeakPolarHBondContact CB-O 3.37Å; A158-F183 VanDerWaalsContact CA-CD2 3.43Å; A158-F183 HydrophobicContact CB-CB 4.07Å; A158-F183 HydrophobicContact CB-CD2 3.67Å; A158-F183 HydrophobicContact CB-CE2 4.42Å; A158-F183 HydrophobicContact CB-CG 4.08Å; A158-Y185 HydrophobicContact CB-CD2 3.89Å; A158-Y185 HydrophobicContact CB-CE2 4.34Å; A158-Y185 WeakPolarHBondContact O-CD2 3.43Å; A158-Y185 WeakPolarHBondContact O-CE2 3.27Å
159	H	97.1	Very high	95.6	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.005	6%	0.055	C	C	.	.	H	α-helix	trans	-61.2	-40.5	176.5	-77.4	-139.5	0	0	0	112.5	H155 S156 S157 L161 G162 E163 F217 L258 D260 H266	H155-H159 AromaticContact CE1-NE2 3.62Å; H155-H159 AromaticContact NE2-NE2 3.82Å; H155-H159 PolarHBondContact O-CD2 3.29Å; H155-H159 PolarHBondContact O-N 3.17Å; S156-H159 PolarHBondContact O-N 2.85Å; S157-H159 VanDerWaalsContact C-N 3.33Å; H159-L161 VanDerWaalsContact C-N 3.28Å; H159-L161 PolarHBondContact O-N 2.88Å; H159-G162 PolarHBondContact O-N 2.94Å; H159-G162 VanDerWaalsContact O-N 3.16Å; H159-E163 PolarHBondContact O-N 3.07Å; H159-F217 HydrophobicContact CB-CE1 3.85Å; H159-F217 HydrophobicContact CB-CZ 4.37Å; H159-L258 HydrophobicContact CB-CD2 3.91Å; H159-L258 WeakPolarHBondContact O-CD2 3.45Å; H159-D260 IonicContact CD2-OD2 2.93Å; H159-D260 IonicContact CE1-OD2 3.63Å; H159-D260 IonicContact NE2-OD2 2.65Å; H159-D260 PolarHBondContact NE2-OD2 3.25Å; H159-H266 AromaticContact CD2-CE1 3.51Å; H159-H266 AromaticContact CE1-CE1 3.32Å; H159-H266 PolarHBondContact CE1-CE1 2.96Å; H159-H266 AromaticContact CE1-NE2 3.2Å; H159-H266 PolarHBondContact CE1-NE2 3.36Å; H159-H266 AromaticContact CG-CE1 3.67Å; H159-H266 AromaticContact ND1-CE1 3.55Å; H159-H266 AromaticContact ND1-NE2 3.73Å; H159-H266 AromaticContact NE2-CE1 3.29Å; H159-H266 PolarHBondContact NE2-CE1 3.39Å; H159-H266 VanDerWaalsContact NE2-CE1 3.29Å; H159-H266 AromaticContact NE2-NE2 3.48Å; H159-H266 PolarHBondContact NE2-NE2 3.08Å
160	I	97.6	Very high	95.3	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-59	-42.5	174	-63.7	172.2	0	0	0	110.9	S156 S157 A158 A164 C207 I210 I211 T270 I273 L276	S156-I160 PolarHBondContact O-N 2.74Å; S157-I160 WeakPolarHBondContact O-CB 3.3Å; S157-I160 PolarHBondContact O-N 3.14Å; A158-I160 VanDerWaalsContact C-N 3.33Å; A158-I160 PolarHBondContact O-N 3.43Å; I160-A164 PolarHBondContact O-N 3.21Å; I160-C207 HydrophobicContact CG2-CB 3.93Å; I160-I210 HydrophobicContact CB-CG2 4.45Å; I160-I210 HydrophobicContact CG1-CG2 4.24Å; I160-I210 HydrophobicContact CG2-CB 4.15Å; I160-I210 HydrophobicContact CG2-CD1 4.46Å; I160-I210 HydrophobicContact CG2-CG2 3.87Å; I160-I211 HydrophobicContact CD1-CG1 3.91Å; I160-I211 HydrophobicContact CG2-CG1 4.33Å; I160-T270 HydrophobicContact CD1-CG2 3.95Å; I160-T270 HydrophobicContact CG1-CG2 3.78Å; I160-I273 HydrophobicContact CD1-CB 4.15Å; I160-I273 HydrophobicContact CD1-CG1 3.62Å; I160-L276 HydrophobicContact CG2-CD1 4.47Å
161	L	97.1	Very high	94.9	Very high	1 Å²	1	10 Å²	10	1%	0.005	6%	0.059	C	C	.	.	H	α-helix	trans	-66.8	-40.8	175.2	177.8	61.6	0	0	0	111.9	S157 A158 H159 E163 A164 M165 F183 I278 I298	S157-L161 PolarHBondContact O-N 3.5Å; S157-L161 VanDerWaalsContact O-N 3.08Å; A158-L161 CarbonylContact O-C 3.53Å; A158-L161 WeakPolarHBondContact O-CA 3.48Å; A158-L161 WeakPolarHBondContact O-CB 3.38Å; A158-L161 PolarHBondContact O-N 3.39Å; A158-L161 VanDerWaalsContact O-N 3.08Å; H159-L161 VanDerWaalsContact C-N 3.28Å; H159-L161 PolarHBondContact O-N 2.88Å; L161-E163 VanDerWaalsContact C-N 3.35Å; L161-E163 PolarHBondContact O-N 3.19Å; L161-A164 WeakPolarHBondContact O-CB 3.18Å; L161-A164 PolarHBondContact O-N 3.03Å; L161-M165 HydrophobicContact CD1-CG 4.13Å; L161-M165 HydrophobicContact CD1-SD 4.18Å; L161-M165 HydrophobicContact CD2-SD 4.28Å; L161-M165 HydrophobicContact CG-CG 4.26Å; L161-M165 HydrophobicContact CG-SD 3.76Å; L161-M165 WeakPolarHBondContact O-CB 3.35Å; L161-M165 VanDerWaalsContact O-CG 3.24Å; L161-M165 WeakPolarHBondContact O-CG 3.46Å; L161-M165 PolarHBondContact O-N 2.87Å; L161-F183 HydrophobicContact CB-CE2 3.91Å; L161-F183 HydrophobicContact CD2-CD2 4.33Å; L161-F183 HydrophobicContact CD2-CE2 3.74Å; L161-F183 HydrophobicContact CG-CE2 4.48Å; L161-I278 HydrophobicContact CD1-CD1 3.72Å; L161-I278 HydrophobicContact CD1-CG1 4.36Å; L161-I298 HydrophobicContact CD1-CG2 4.34Å; L161-I298 HydrophobicContact CD2-CB 4.13Å; L161-I298 HydrophobicContact CD2-CG2 3.94Å
162	G	95.9	Very high	94.7	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-58.8	-44.4	177.1	0	0	0	0	0	112.1	A158 H159 A164 M165 E166	A158-G162 PolarHBondContact O-N 3.02Å; H159-G162 PolarHBondContact O-N 2.94Å; H159-G162 VanDerWaalsContact O-N 3.16Å; G162-A164 PolarHBondContact O-N 3.15Å; G162-M165 PolarHBondContact O-N 2.93Å; G162-E166 PolarHBondContact O-N 3.02Å
163	E	95.6	Very high	94.6	Very high	1 Å²	1	8.3 Å²	8.3	1%	0.005	5%	0.045	C	C	.	.	H	α-helix	trans	-60.2	-45.9	174	-176.3	-174.2	161.8	0	0	111.6	H159 L161 M165 E166 R167 I210 Q215 P257 L258	H159-E163 PolarHBondContact O-N 3.07Å; L161-E163 VanDerWaalsContact C-N 3.35Å; L161-E163 PolarHBondContact O-N 3.19Å; E163-M165 VanDerWaalsContact C-N 3.29Å; E163-M165 PolarHBondContact O-N 3.27Å; E163-E166 PolarHBondContact O-N 3.41Å; E163-R167 WeakPolarHBondContact O-CG 3.44Å; E163-R167 PolarHBondContact O-N 3.4Å; E163-R167 IonicContact OE1-CZ 3.6Å; E163-R167 VanDerWaalsContact OE1-CZ 3.26Å; E163-R167 IonicContact OE1-NE 3.12Å; E163-R167 PolarHBondContact OE1-NE 2.99Å; E163-R167 IonicContact OE1-NH2 3.75Å; E163-R167 PolarHBondContact OE1-NH2 3.46Å; E163-I210 HydrophobicContact CB-CD1 3.95Å; E163-I210 VanDerWaalsContact CD-CD1 3.48Å; E163-I210 HydrophobicContact CG-CD1 3.79Å; E163-I210 HydrophobicContact CG-CG1 4.48Å; E163-I210 WeakPolarHBondContact OE1-CG1 3.45Å; E163-I210 WeakPolarHBondContact OE2-CG2 3.47Å; E163-Q215 PolarHBondContact OE1-NE2 3.3Å; E163-Q215 VanDerWaalsContact OE1-NE2 3.08Å; E163-Q215 PolarHBondContact OE2-OE1 3.26Å; E163-P257 HydrophobicContact CG-CG 4.02Å; E163-P257 WeakPolarHBondContact OE1-CD 3.39Å; E163-P257 WeakPolarHBondContact OE1-CG 3.49Å; E163-L258 HydrophobicContact CB-CB 3.93Å; E163-L258 HydrophobicContact CB-CD2 4.24Å; E163-L258 HydrophobicContact CG-CB 4.22Å
164	A	95.6	Very high	94.4	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-62.1	-38.5	176.6	0	0	0	0	0	111.8	I160 L161 G162 R167 V168 L203 L206 I210	I160-A164 PolarHBondContact O-N 3.21Å; L161-A164 WeakPolarHBondContact O-CB 3.18Å; L161-A164 PolarHBondContact O-N 3.03Å; G162-A164 PolarHBondContact O-N 3.15Å; A164-R167 PolarHBondContact O-N 2.79Å; A164-V168 WeakPolarHBondContact O-CG2 3.42Å; A164-V168 PolarHBondContact O-N 3.5Å; A164-L203 HydrophobicContact CB-CD2 4.13Å; A164-L206 HydrophobicContact CB-CB 4.03Å; A164-I210 HydrophobicContact CB-CD1 4.23Å
165	M	94.1	Very high	94.1	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-67.2	-42.9	178.4	-72.9	170.6	71.4	0	0	112.5	L161 G162 E163 R167 V168 Y169 L173 Y185 M187 L203 I298	L161-M165 HydrophobicContact CD1-CG 4.13Å; L161-M165 HydrophobicContact CD1-SD 4.18Å; L161-M165 HydrophobicContact CD2-SD 4.28Å; L161-M165 HydrophobicContact CG-CG 4.26Å; L161-M165 HydrophobicContact CG-SD 3.76Å; L161-M165 WeakPolarHBondContact O-CB 3.35Å; L161-M165 VanDerWaalsContact O-CG 3.24Å; L161-M165 WeakPolarHBondContact O-CG 3.46Å; L161-M165 PolarHBondContact O-N 2.87Å; G162-M165 PolarHBondContact O-N 2.93Å; E163-M165 VanDerWaalsContact C-N 3.29Å; E163-M165 PolarHBondContact O-N 3.27Å; M165-R167 VanDerWaalsContact C-N 3.27Å; M165-R167 PolarHBondContact O-N 3.08Å; M165-V168 PolarHBondContact O-N 2.94Å; M165-Y169 HydrophobicContact CB-CD2 4.46Å; M165-Y169 WeakPolarHBondContact O-CB 3.35Å; M165-Y169 PolarHBondContact O-N 3.29Å; M165-L173 HydrophobicContact CB-CD2 4.19Å; M165-Y185 HydrophobicContact SD-CG 4.43Å; M165-M187 HydrophobicContact CB-CE 4.45Å; M165-M187 HydrophobicContact CB-SD 4.01Å; M165-M187 HydrophobicContact CE-CB 3.4Å; M165-M187 VanDerWaalsContact CE-CB 3.4Å; M165-M187 HydrophobicContact CE-CE 3.68Å; M165-M187 HydrophobicContact CE-CG 4.3Å; M165-M187 HydrophobicContact CE-SD 4.01Å; M165-L203 HydrophobicContact CG-CD2 4.27Å; M165-I298 HydrophobicContact CE-CD1 3.8Å; M165-I298 HydrophobicContact CE-CG1 4.04Å; M165-I298 HydrophobicContact CG-CD1 4.04Å; M165-I298 HydrophobicContact SD-CB 4.39Å; M165-I298 HydrophobicContact SD-CD1 3.92Å; M165-I298 HydrophobicContact SD-CG1 4.34Å
166	E	93.3	Very high	93.9	Very high	3 Å²	3	9.5 Å²	9.5	1%	0.014	5%	0.052	C	C	.	.	H	α-helix	trans	-60	-39.9	174.1	-75.6	-175.2	150.7	0	0	111.5	R57 G162 E163 G170 L173 L258	R57-E166 IonicContact CZ-OE1 2.66Å; R57-E166 IonicContact CZ-OE2 3.66Å; R57-E166 VanDerWaalsContact NH1-CD 3.34Å; R57-E166 IonicContact NH1-OE1 3.84Å; R57-E166 PolarHBondContact NH1-OE1 3.29Å; R57-E166 IonicContact NH1-OE2 2.78Å; R57-E166 PolarHBondContact NH1-OE2 3.16Å; R57-E166 VanDerWaalsContact NH1-OE2 3.12Å; R57-E166 IonicContact NH2-OE1 3.25Å; R57-E166 IonicContact NH2-OE2 2.76Å; R57-E166 PolarHBondContact NH2-OE2 3.42Å; G162-E166 PolarHBondContact O-N 3.02Å; E163-E166 PolarHBondContact O-N 3.41Å; E166-G170 WeakPolarHBondContact O-CA 3.31Å; E166-G170 PolarHBondContact O-N 3.48Å; E166-L173 HydrophobicContact CG-CD1 3.7Å; E166-L173 HydrophobicContact CG-CD2 4.38Å; E166-L173 HydrophobicContact CG-CG 3.77Å; E166-L258 WeakPolarHBondContact OE2-CD1 3.46Å
167	R	92.4	Very high	93.8	Very high	53 Å²	53	11.3 Å²	11.3	20%	0.2	6%	0.064	C	C	.	.	H	α-helix	trans	-72.4	-31	179.6	-68.2	179.9	-174.7	-156.2	9.4	113.9	E46 L47 E163 A164 M165 P257	E46-R167 HydrophobicContact CG-CB 4.25Å; E46-R167 IonicContact OE1-NH1 2.61Å; L47-R167 WeakPolarHBondContact CB-O 3.42Å; L47-R167 WeakPolarHBondContact CG-O 3.47Å; L47-R167 PolarHBondContact N-O 2.91Å; E163-R167 WeakPolarHBondContact O-CG 3.44Å; E163-R167 PolarHBondContact O-N 3.4Å; E163-R167 IonicContact OE1-CZ 3.6Å; E163-R167 VanDerWaalsContact OE1-CZ 3.26Å; E163-R167 IonicContact OE1-NE 3.12Å; E163-R167 PolarHBondContact OE1-NE 2.99Å; E163-R167 IonicContact OE1-NH2 3.75Å; E163-R167 PolarHBondContact OE1-NH2 3.46Å; A164-R167 PolarHBondContact O-N 2.79Å; M165-R167 VanDerWaalsContact C-N 3.27Å; M165-R167 PolarHBondContact O-N 3.08Å; R167-P257 VanDerWaalsContact NH2-CG 3.27Å
168	V	92.2	Very high	93.6	Very high	3 Å²	3	13.4 Å²	13.4	2%	0.018	8%	0.078	C	C	.	.	H	α-helix	trans	-88.8	-38.8	-179.5	173.5	0	0	0	0	112.3	K44 A164 M165 L203 L206	K44-V168 HydrophobicContact CB-CG1 3.99Å; A164-V168 WeakPolarHBondContact O-CG2 3.42Å; A164-V168 PolarHBondContact O-N 3.5Å; M165-V168 PolarHBondContact O-N 2.94Å; V168-L203 HydrophobicContact CB-CD2 4.08Å; V168-L203 HydrophobicContact CG1-CD2 4.49Å; V168-L203 HydrophobicContact CG2-CD2 3.82Å; V168-L206 HydrophobicContact CG2-CD1 3.3Å
169	Y	91.1	Very high	93.3	Very high	20 Å²	20	16.3 Å²	16.3	8%	0.078	9%	0.092	C	C	.	.	H	α-helix	trans	-115.5	-22	-170.1	-60.1	-85.2	0	0	0	114	K44 M165 G171 M187 L189 V195 D199 L203 I298	K44-Y169 HydrophobicContact CD-CD1 3.89Å; K44-Y169 HydrophobicContact CD-CE1 3.62Å; M165-Y169 HydrophobicContact CB-CD2 4.46Å; M165-Y169 WeakPolarHBondContact O-CB 3.35Å; M165-Y169 PolarHBondContact O-N 3.29Å; Y169-G171 PolarHBondContact O-N 3.48Å; Y169-G171 VanDerWaalsContact O-N 3.12Å; Y169-M187 HydrophobicContact CD1-CE 4.33Å; Y169-M187 HydrophobicContact CD2-CE 3.56Å; Y169-M187 HydrophobicContact CD2-SD 4.41Å; Y169-M187 HydrophobicContact CE2-CE 4.29Å; Y169-M187 HydrophobicContact CG-CE 3.6Å; Y169-M187 HydrophobicContact CG-SD 4.44Å; Y169-L189 HydrophobicContact CD1-CD1 4.16Å; Y169-L189 HydrophobicContact CG-CD2 4.47Å; Y169-V195 HydrophobicContact CE1-CG2 4.16Å; Y169-V195 HydrophobicContact CE2-CG2 4.4Å; Y169-D199 WeakPolarHBondContact OH-CB 3.46Å; Y169-D199 VanDerWaalsContact OH-CG 3.24Å; Y169-D199 PolarHBondContact OH-OD2 3.29Å; Y169-L203 HydrophobicContact CE2-CD1 4.12Å; Y169-L203 HydrophobicContact CE2-CD2 4.05Å; Y169-L203 HydrophobicContact CE2-CG 4.46Å; Y169-I298 HydrophobicContact CE2-CD1 4.42Å
170	G	88.4	Confident	92.5	Very high	25 Å²	25	24.4 Å²	24.4	26%	0.258	13%	0.13	S	C	.	.			trans	67.3	6.9	-178.8	0	0	0	0	0	115	E166	E166-G170 WeakPolarHBondContact O-CA 3.31Å; E166-G170 PolarHBondContact O-N 3.48Å
171	G	86.4	Confident	91.9	Very high	5 Å²	5	28.9 Å²	28.9	5%	0.052	15%	0.154	C	C	.	.			trans	-72.9	174.3	-176.5	0	0	0	0	0	114.9	Y169 L173 F188	Y169-G171 PolarHBondContact O-N 3.48Å; Y169-G171 VanDerWaalsContact O-N 3.12Å; G171-L173 PolarHBondContact O-N 3.05Å; G171-F188 CarbonylContact C-O 3.56Å; G171-F188 VanDerWaalsContact CA-O 3.25Å; G171-F188 WeakPolarHBondContact CA-O 3.45Å
172	C	91.8	Very high	91.8	Very high	13 Å²	13	28.9 Å²	28.9	9%	0.088	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	109.2	177.4	-71.1	0	0	0	0	111	C174 M187 F188 F236	C172-C174 PolarHBondContact O-SG 3.08Å; C172-M187 WeakPolarHBondContact O-CA 3.43Å; C172-F188 HydrophobicContact CB-CB 4.26Å; C172-F188 PolarHBondContact N-O 2.97Å; C172-F188 PolarHBondContact O-N 3.33Å; C172-F236 HydrophobicContact CB-CD2 3.94Å; C172-F236 HydrophobicContact CB-CE2 4.32Å
173	L	93.7	Very high	91.8	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	136.9	172.2	-68.3	-174.9	0	0	0	111.9	M165 E166 G171 Y185 M187 N234 K237 L258	M165-L173 HydrophobicContact CB-CD2 4.19Å; E166-L173 HydrophobicContact CG-CD1 3.7Å; E166-L173 HydrophobicContact CG-CD2 4.38Å; E166-L173 HydrophobicContact CG-CG 3.77Å; G171-L173 PolarHBondContact O-N 3.05Å; L173-Y185 HydrophobicContact CB-CE1 3.76Å; L173-Y185 HydrophobicContact CD1-CE1 4.15Å; L173-Y185 HydrophobicContact CD2-CD1 3.86Å; L173-Y185 HydrophobicContact CD2-CE1 3.74Å; L173-Y185 HydrophobicContact CG-CE1 4.08Å; L173-M187 HydrophobicContact CD2-CB 4.27Å; L173-M187 HydrophobicContact CD2-CG 4.37Å; L173-M187 HydrophobicContact CD2-SD 4.5Å; L173-N234 PolarHBondContact N-ND2 3.04Å; L173-N234 PolarHBondContact O-ND2 3.24Å; L173-K237 WeakPolarHBondContact O-CE 3.4Å; L173-L258 HydrophobicContact CD1-CD1 3.68Å
174	C	93.4	Very high	91.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.16	C	C	.	.			trans	-114.1	-100.4	-176.4	-67.6	0	0	0	0	110.6	C172 D186 F236 K237 W286 L295	C172-C174 PolarHBondContact O-SG 3.08Å; C174-D186 HydrophobicContact CB-CB 3.85Å; C174-D186 WeakPolarHBondContact CB-O 3.45Å; C174-D186 PolarHBondContact N-O 3.43Å; C174-F236 VanDerWaalsContact SG-CD2 3.59Å; C174-F236 WeakPolarHBondContact SG-CG 3.48Å; C174-K237 PolarHBondContact O-NZ 2.96Å; C174-W286 HydrophobicContact CB-CZ3 3.92Å; C174-L295 HydrophobicContact CB-CD1 4.22Å
175	Y	91.9	Very high	91.9	Very high	61 Å²	61	30.5 Å²	30.5	24%	0.239	16%	0.16	C	C	.	.			trans	-109.3	135.3	-178.7	-65.1	-71.9	0	0	0	111.4	Y185 D186 I240 K244 W286	Y175-Y185 WeakPolarHBondContact O-CA 3.45Å; Y175-D186 PolarHBondContact O-N 2.82Å; Y175-I240 HydrophobicContact CD1-CD1 4.38Å; Y175-I240 HydrophobicContact CE1-CD1 3.73Å; Y175-I240 HydrophobicContact CE1-CG1 4.23Å; Y175-K244 PolarHBondContact OH-NZ 2.93Å; Y175-W286 HydrophobicContact CD2-CH2 4.44Å; Y175-W286 AromaticContact CD2-CZ3 3.97Å; Y175-W286 HydrophobicContact CD2-CZ3 3.97Å; Y175-W286 AromaticContact CE2-CE3 3.98Å; Y175-W286 HydrophobicContact CE2-CE3 3.98Å; Y175-W286 AromaticContact CE2-CH2 3.52Å; Y175-W286 HydrophobicContact CE2-CH2 3.52Å; Y175-W286 HydrophobicContact CE2-CZ2 4.16Å; Y175-W286 AromaticContact CE2-CZ3 3.4Å; Y175-W286 HydrophobicContact CE2-CZ3 3.4Å; Y175-W286 AromaticContact CZ-CH2 3.75Å
176	G	92.4	Very high	92	Very high	12 Å²	12	30.6 Å²	30.6	12%	0.124	16%	0.161	C	C	.	.			trans	-131.9	61	176.2	0	0	0	0	0	114.1	H155 A158 Y184	H155-G176 PolarHBondContact ND1-O 2.69Å; H155-G176 VanDerWaalsContact ND1-O 3.15Å; A158-G176 WeakPolarHBondContact CB-O 3.37Å; G176-Y184 CarbonylContact C-O 3.55Å; G176-Y184 WeakPolarHBondContact CA-O 3.33Å
177	P	93.7	Very high	92	Very high	39 Å²	39	30.5 Å²	30.5	25%	0.253	16%	0.16	S	C	.	.			trans	-79.6	155.2	-177.1	35.1	-34.5	0	0	0	112	Y184	P177-Y184 VanDerWaalsContact CD-CE2 3.45Å; P177-Y184 VanDerWaalsContact CD-CZ 3.45Å; P177-Y184 HydrophobicContact CG-CD1 4.22Å; P177-Y184 HydrophobicContact CG-CE1 3.47Å; P177-Y184 VanDerWaalsContact CG-CE1 3.47Å; P177-Y184 HydrophobicContact CG-CE2 3.86Å; P177-Y184 VanDerWaalsContact CG-OH 3.29Å; P177-Y184 WeakPolarHBondContact CG-OH 3.42Å; P177-Y184 PolarHBondContact O-N 3.48Å
178	P	94.5	Very high	92.1	Very high	44 Å²	44	28.7 Å²	28.7	29%	0.286	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	153.1	160.3	33	-33.6	0	0	0	110	A151 W154 H155	A151-P178 HydrophobicContact CB-CB 4.41Å; A151-P178 HydrophobicContact CB-CG 4.2Å; A151-P178 VanDerWaalsContact O-CB 3.27Å; A151-P178 WeakPolarHBondContact O-CB 3.22Å; A151-P178 WeakPolarHBondContact O-CG 3.49Å; W154-P178 HydrophobicContact CB-CB 4.03Å; H155-P178 HydrophobicContact CB-CB 4.35Å; H155-P178 HydrophobicContact CB-CG 4.1Å
179	I	90.6	Very high	92	Very high	61 Å²	61	29.3 Å²	29.3	31%	0.313	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	170.2	172.3	58.6	172.7	0	0	0	109.1	W154 N181 G182 Y184 Y299	W154-I179 VanDerWaalsContact CE3-O 3.26Å; W154-I179 WeakPolarHBondContact CZ3-O 3.45Å; I179-N181 PolarHBondContact O-N 3.13Å; I179-N181 VanDerWaalsContact O-N 3.16Å; I179-G182 VanDerWaalsContact CG1-C 3.5Å; I179-G182 PolarHBondContact N-O 3.17Å; I179-G182 PolarHBondContact O-N 3.35Å; I179-Y184 HydrophobicContact CG2-CD1 3.72Å; I179-Y184 HydrophobicContact CG2-CE1 3.79Å; I179-Y299 HydrophobicContact CD1-CD1 3.93Å; I179-Y299 HydrophobicContact CD1-CE1 4.15Å
180	E	81.2	Confident	91.4	Very high	170 Å²	170	34.3 Å²	34.3	79%	0.794	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	123	169.5	-165.8	-173.5	170.4	0	0	109.4
181	N	84.7	Confident	90.8	Very high	95 Å²	95	39 Å²	39	51%	0.508	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	45.6	-176.2	-56.6	-57.6	0	0	0	114.3	I179 I301	I179-N181 PolarHBondContact O-N 3.13Å; I179-N181 VanDerWaalsContact O-N 3.16Å; N181-I301 VanDerWaalsContact C-CD1 3.4Å; N181-I301 HydrophobicContact CB-CD1 4.5Å; N181-I301 WeakPolarHBondContact O-CD1 3.37Å
182	G	93.8	Very high	89.8	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	144	-145.1	165.9	0	0	0	0	0	114.6	W154 I179 G300	W154-G182 VanDerWaalsContact CB-O 3.32Å; W154-G182 WeakPolarHBondContact CB-O 3.34Å; I179-G182 VanDerWaalsContact CG1-C 3.5Å; I179-G182 PolarHBondContact N-O 3.17Å; I179-G182 PolarHBondContact O-N 3.35Å; G182-G300 WeakPolarHBondContact CA-O 3.42Å
183	F	97.1	Very high	88.9	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	166.8	179.6	57.9	-84.3	0	0	0	110.7	W154 A158 L161 L276 Y299 G300	W154-F183 HydrophobicContact CB-CB 4.2Å; W154-F183 HydrophobicContact CB-CD1 4.03Å; W154-F183 HydrophobicContact CG-CD1 4.43Å; W154-F183 WeakPolarHBondContact O-CD1 3.5Å; W154-F183 WeakPolarHBondContact O-CG 3.33Å; A158-F183 VanDerWaalsContact CA-CD2 3.43Å; A158-F183 HydrophobicContact CB-CB 4.07Å; A158-F183 HydrophobicContact CB-CD2 3.67Å; A158-F183 HydrophobicContact CB-CE2 4.42Å; A158-F183 HydrophobicContact CB-CG 4.08Å; L161-F183 HydrophobicContact CB-CE2 3.91Å; L161-F183 HydrophobicContact CD2-CD2 4.33Å; L161-F183 HydrophobicContact CD2-CE2 3.74Å; L161-F183 HydrophobicContact CG-CE2 4.48Å; F183-L276 HydrophobicContact CZ-CD1 4Å; F183-L276 HydrophobicContact CZ-CG 4.34Å; F183-Y299 WeakPolarHBondContact O-CA 3.41Å; F183-G300 VanDerWaalsContact CD1-O 3.31Å; F183-G300 WeakPolarHBondContact CD1-O 3.26Å; F183-G300 PolarHBondContact N-O 3.32Å; F183-G300 PolarHBondContact O-N 3.41Å; F183-G300 VanDerWaalsContact O-O 3.13Å
184	Y	96.3	Very high	88.4	Confident	35 Å²	35	50.6 Å²	50.6	14%	0.137	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	167	163.2	69.6	-99.7	0	0	0	110.8	G176 P177 I179 D186 R297 I298 Y299	G176-Y184 CarbonylContact C-O 3.55Å; G176-Y184 WeakPolarHBondContact CA-O 3.33Å; P177-Y184 VanDerWaalsContact CD-CE2 3.45Å; P177-Y184 VanDerWaalsContact CD-CZ 3.45Å; P177-Y184 HydrophobicContact CG-CD1 4.22Å; P177-Y184 HydrophobicContact CG-CE1 3.47Å; P177-Y184 VanDerWaalsContact CG-CE1 3.47Å; P177-Y184 HydrophobicContact CG-CE2 3.86Å; P177-Y184 VanDerWaalsContact CG-OH 3.29Å; P177-Y184 WeakPolarHBondContact CG-OH 3.42Å; P177-Y184 PolarHBondContact O-N 3.48Å; I179-Y184 HydrophobicContact CG2-CD1 3.72Å; I179-Y184 HydrophobicContact CG2-CE1 3.79Å; Y184-D186 WeakPolarHBondContact CE2-OD2 3.48Å; Y184-R297 HydrophobicContact CD2-CG 3.72Å; Y184-R297 VanDerWaalsContact CD2-NE 3.33Å; Y184-R297 VanDerWaalsContact CE2-NE 3.34Å; Y184-R297 VanDerWaalsContact CE2-NH2 3.32Å; Y184-R297 HydrophobicContact CG-CG 3.91Å; Y184-R297 PolarHBondContact OH-NH2 3.19Å; Y184-I298 CarbonylContact C-O 3.55Å; Y184-I298 WeakPolarHBondContact CA-O 3.31Å; Y184-I298 WeakPolarHBondContact CB-O 3.48Å; Y184-Y299 HydrophobicContact CD1-CE1 4.21Å; Y184-Y299 HydrophobicContact CG-CE1 4.37Å
185	Y	96.7	Very high	88.1	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	128.6	167.7	-139.7	-61.2	0	0	0	111	A158 M165 L173 Y175 D260 R297 I298	A158-Y185 HydrophobicContact CB-CD2 3.89Å; A158-Y185 HydrophobicContact CB-CE2 4.34Å; A158-Y185 WeakPolarHBondContact O-CD2 3.43Å; A158-Y185 WeakPolarHBondContact O-CE2 3.27Å; M165-Y185 HydrophobicContact SD-CG 4.43Å; L173-Y185 HydrophobicContact CB-CE1 3.76Å; L173-Y185 HydrophobicContact CD1-CE1 4.15Å; L173-Y185 HydrophobicContact CD2-CD1 3.86Å; L173-Y185 HydrophobicContact CD2-CE1 3.74Å; L173-Y185 HydrophobicContact CG-CE1 4.08Å; Y175-Y185 WeakPolarHBondContact O-CA 3.45Å; Y185-D260 VanDerWaalsContact OH-CG 3.29Å; Y185-D260 PolarHBondContact OH-OD2 3.39Å; Y185-R297 WeakPolarHBondContact O-CA 3.29Å; Y185-I298 PolarHBondContact N-O 3.12Å; Y185-I298 PolarHBondContact O-N 3.01Å
186	D	95.6	Very high	88	Confident	3 Å²	3	50.4 Å²	50.4	2%	0.016	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	136	174.7	-70.1	-23.1	0	0	0	111.4	C174 Y175 Y184 L295 Q296 R297	C174-D186 HydrophobicContact CB-CB 3.85Å; C174-D186 WeakPolarHBondContact CB-O 3.45Å; C174-D186 PolarHBondContact N-O 3.43Å; Y175-D186 PolarHBondContact O-N 2.82Å; Y184-D186 WeakPolarHBondContact CE2-OD2 3.48Å; D186-L295 HydrophobicContact CB-CB 4.33Å; D186-L295 HydrophobicContact CB-CD1 4.04Å; D186-Q296 CarbonylContact C-O 3.6Å; D186-Q296 WeakPolarHBondContact CA-O 3.35Å; D186-R297 WeakPolarHBondContact OD1-CB 3.14Å; D186-R297 WeakPolarHBondContact OD1-CG 3.45Å; D186-R297 IonicContact OD1-CZ 3.93Å; D186-R297 IonicContact OD1-NE 2.88Å; D186-R297 PolarHBondContact OD1-NE 3.12Å; D186-R297 IonicContact OD1-NH2 3.31Å; D186-R297 PolarHBondContact OD1-NH2 3.34Å; D186-R297 IonicContact OD2-CZ 2.72Å; D186-R297 IonicContact OD2-NE 2.76Å; D186-R297 IonicContact OD2-NH2 2.96Å; D186-R297 PolarHBondContact OD2-NH2 2.92Å
187	M	94.5	Very high	87.9	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	139	176.5	177.9	-177.6	59.4	0	0	110.7	M165 Y169 C172 L173 L189 Q296	M165-M187 HydrophobicContact CB-CE 4.45Å; M165-M187 HydrophobicContact CB-SD 4.01Å; M165-M187 HydrophobicContact CE-CB 3.4Å; M165-M187 VanDerWaalsContact CE-CB 3.4Å; M165-M187 HydrophobicContact CE-CE 3.68Å; M165-M187 HydrophobicContact CE-CG 4.3Å; M165-M187 HydrophobicContact CE-SD 4.01Å; Y169-M187 HydrophobicContact CD1-CE 4.33Å; Y169-M187 HydrophobicContact CD2-CE 3.56Å; Y169-M187 HydrophobicContact CD2-SD 4.41Å; Y169-M187 HydrophobicContact CE2-CE 4.29Å; Y169-M187 HydrophobicContact CG-CE 3.6Å; Y169-M187 HydrophobicContact CG-SD 4.44Å; C172-M187 WeakPolarHBondContact O-CA 3.43Å; L173-M187 HydrophobicContact CD2-CB 4.27Å; L173-M187 HydrophobicContact CD2-CG 4.37Å; L173-M187 HydrophobicContact CD2-SD 4.5Å; M187-L189 HydrophobicContact CE-CD1 3.99Å; M187-L189 HydrophobicContact CE-CD2 3.71Å; M187-L189 HydrophobicContact CE-CG 3.96Å; M187-L189 HydrophobicContact CG-CD2 4.33Å; M187-L189 HydrophobicContact SD-CD2 4.01Å; M187-Q296 PolarHBondContact N-O 3.04Å; M187-Q296 PolarHBondContact O-N 3.47Å
188	F	93.8	Very high	87.8	Confident	15 Å²	15	54.8 Å²	54.8	7%	0.066	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	137.3	171.5	178	-105.7	0	0	0	110.9	G171 C172 D190 F236 E293 T294 L295	G171-F188 CarbonylContact C-O 3.56Å; G171-F188 VanDerWaalsContact CA-O 3.25Å; G171-F188 WeakPolarHBondContact CA-O 3.45Å; C172-F188 HydrophobicContact CB-CB 4.26Å; C172-F188 PolarHBondContact N-O 2.97Å; C172-F188 PolarHBondContact O-N 3.33Å; F188-D190 WeakPolarHBondContact CE1-OD1 3.22Å; F188-F236 HydrophobicContact CB-CD2 4Å; F188-F236 HydrophobicContact CB-CE2 3.18Å; F188-F236 HydrophobicContact CB-CZ 3.64Å; F188-F236 AromaticContact CD1-CE2 3.51Å; F188-F236 HydrophobicContact CD1-CE2 3.51Å; F188-F236 HydrophobicContact CD1-CZ 4.06Å; F188-F236 HydrophobicContact CD2-CE2 4.01Å; F188-F236 AromaticContact CD2-CZ 3.76Å; F188-F236 HydrophobicContact CD2-CZ 3.76Å; F188-F236 HydrophobicContact CE1-CE2 4.33Å; F188-F236 HydrophobicContact CE2-CZ 4.44Å; F188-F236 HydrophobicContact CG-CD2 4.46Å; F188-F236 AromaticContact CG-CE2 3.29Å; F188-F236 HydrophobicContact CG-CE2 3.29Å; F188-F236 AromaticContact CG-CZ 3.55Å; F188-F236 HydrophobicContact CG-CZ 3.55Å; F188-E293 HydrophobicContact CD2-CB 4.03Å; F188-E293 HydrophobicContact CE2-CB 3.8Å; F188-E293 HydrophobicContact CE2-CG 4.03Å; F188-E293 HydrophobicContact CZ-CG 4.45Å; F188-T294 WeakPolarHBondContact CD2-O 3.46Å; F188-L295 HydrophobicContact CB-CD2 3.84Å; F188-L295 HydrophobicContact CD2-CD2 4.22Å
189	L	90.3	Very high	87.6	Confident	16 Å²	16	53 Å²	53	8%	0.084	29%	0.292	C	S	.	.			trans	-123.2	120.2	177.5	-64.2	174.9	0	0	0	109	Y169 M187 N191 N192 E193 Q296	Y169-L189 HydrophobicContact CD1-CD1 4.16Å; Y169-L189 HydrophobicContact CG-CD2 4.47Å; M187-L189 HydrophobicContact CE-CD1 3.99Å; M187-L189 HydrophobicContact CE-CD2 3.71Å; M187-L189 HydrophobicContact CE-CG 3.96Å; M187-L189 HydrophobicContact CG-CD2 4.33Å; M187-L189 HydrophobicContact SD-CD2 4.01Å; L189-N191 PolarHBondContact O-N 3.23Å; L189-N191 VanDerWaalsContact O-N 3.15Å; L189-N192 PolarHBondContact O-N 2.84Å; L189-E193 VanDerWaalsContact CD1-O 3.24Å; L189-E193 WeakPolarHBondContact CD1-O 3.15Å; L189-Q296 HydrophobicContact CD1-CG 4.05Å
190	D	79.6	Confident	87.8	Confident	125 Å²	125	51.2 Å²	51.2	67%	0.668	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-29.1	-175.4	-71.3	-55.2	0	0	0	113.2	F188 N192	F188-D190 WeakPolarHBondContact CE1-OD1 3.22Å; D190-N192 VanDerWaalsContact C-N 3.33Å; D190-N192 PolarHBondContact O-N 3.45Å
191	N	75.2	Confident	88.5	Confident	125 Å²	125	47.4 Å²	47.4	67%	0.668	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	6.7	-176	-63.4	-9.1	0	0	0	114.1	L189 E193	L189-N191 PolarHBondContact O-N 3.23Å; L189-N191 VanDerWaalsContact O-N 3.15Å; N191-E193 HydrophobicContact CB-CG 3.9Å; N191-E193 PolarHBondContact O-N 3.32Å
192	N	64.6	Low	88.9	Confident	128 Å²	128	44.3 Å²	44.3	68%	0.684	26%	0.257	S	S	*	.			trans	52.3	20.7	-170.6	-85	-1.5	0	0	0	114.2	L189 D190 G194	L189-N192 PolarHBondContact O-N 2.84Å; D190-N192 VanDerWaalsContact C-N 3.33Å; D190-N192 PolarHBondContact O-N 3.45Å; N192-G194 PolarHBondContact O-N 3.25Å
193	E	74.4	Confident	89	Confident	88 Å²	88	44.3 Å²	44.3	41%	0.411	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-66.8	134.5	174.9	-72.4	-178.8	-171.9	0	0	109.9	K44 L189 N191	K44-E193 IonicContact NZ-OE2 3.28Å; K44-E193 PolarHBondContact NZ-OE2 2.92Å; L189-E193 VanDerWaalsContact CD1-O 3.24Å; L189-E193 WeakPolarHBondContact CD1-O 3.15Å; N191-E193 HydrophobicContact CB-CG 3.9Å; N191-E193 PolarHBondContact O-N 3.32Å
194	G	81.8	Confident	88.9	Confident	46 Å²	46	45.3 Å²	45.3	47%	0.474	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-81.4	154.7	176.1	0	0	0	0	0	112.2	N192	N192-G194 PolarHBondContact O-N 3.25Å
195	V	88.2	Confident	88.9	Confident	10 Å²	10	46.5 Å²	46.5	6%	0.061	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-79.7	133.6	162.9	172.2	0	0	0	0	108.5	Y169 F200 N281 Q296 I298	Y169-V195 HydrophobicContact CE1-CG2 4.16Å; Y169-V195 HydrophobicContact CE2-CG2 4.4Å; V195-F200 HydrophobicContact CG1-CE1 4.33Å; V195-N281 HydrophobicContact CB-CB 4.43Å; V195-N281 HydrophobicContact CG1-CB 4.01Å; V195-N281 PolarHBondContact O-ND2 3.23Å; V195-Q296 HydrophobicContact CG2-CB 3.8Å; V195-Q296 HydrophobicContact CG2-CG 4.17Å; V195-I298 HydrophobicContact CB-CD1 4.46Å; V195-I298 HydrophobicContact CG1-CD1 3.77Å; V195-I298 HydrophobicContact CG1-CG1 4.02Å; V195-I298 HydrophobicContact CG2-CD1 3.95Å; V195-I298 HydrophobicContact CG2-CG1 4.21Å
196	S	89.4	Confident	88.8	Confident	47 Å²	47	46.7 Å²	46.7	33%	0.329	28%	0.276	S	S	.	.			trans	-107.6	153	174.6	-178.5	0	0	0	0	111.4	N198 D199	S196-N198 PolarHBondContact O-N 3.27Å; S196-N198 PolarHBondContact OG-N 3.07Å; S196-D199 PolarHBondContact N-OD2 2.89Å; S196-D199 VanDerWaalsContact N-OD2 3.12Å; S196-D199 WeakPolarHBondContact O-CB 3.49Å; S196-D199 PolarHBondContact O-N 3.45Å
197	S	89.6	Confident	88.9	Confident	68 Å²	68	46.6 Å²	46.6	48%	0.476	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-60.8	-22.4	170.7	52.7	0	0	0	0	112.7	D199 F200	S197-D199 PolarHBondContact O-N 2.94Å; S197-F200 WeakPolarHBondContact O-CB 3.2Å; S197-F200 WeakPolarHBondContact O-CG 3.1Å; S197-F200 PolarHBondContact O-N 3.24Å
198	N	91.2	Very high	89	Confident	75 Å²	75	52.9 Å²	52.9	40%	0.401	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-66.5	-17.6	173.1	-68.3	-12.8	0	0	0	113.1	S41 S196 P201	S41-N198 PolarHBondContact O-ND2 3.25Å; S41-N198 PolarHBondContact OG-ND2 3.1Å; S41-N198 VanDerWaalsContact OG-ND2 3.08Å; S196-N198 PolarHBondContact O-N 3.27Å; S196-N198 PolarHBondContact OG-N 3.07Å; N198-P201 WeakPolarHBondContact O-CD 3.37Å
199	D	91.7	Very high	89.1	Confident	7 Å²	7	57.2 Å²	57.2	4%	0.037	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-85	-17.2	178	-56.9	-29.1	0	0	0	112.4	K44 Y169 S196 S197 C202 L203	K44-D199 PolarHBondContact N-OD1 3.03Å; Y169-D199 WeakPolarHBondContact OH-CB 3.46Å; Y169-D199 VanDerWaalsContact OH-CG 3.24Å; Y169-D199 PolarHBondContact OH-OD2 3.29Å; S196-D199 PolarHBondContact N-OD2 2.89Å; S196-D199 VanDerWaalsContact N-OD2 3.12Å; S196-D199 WeakPolarHBondContact O-CB 3.49Å; S196-D199 PolarHBondContact O-N 3.45Å; S197-D199 PolarHBondContact O-N 2.94Å; D199-C202 WeakPolarHBondContact O-CB 3.39Å; D199-C202 PolarHBondContact O-N 3.44Å; D199-C202 VanDerWaalsContact O-N 3.08Å; D199-L203 PolarHBondContact O-N 3.27Å; D199-L203 VanDerWaalsContact O-N 3.12Å
200	F	94.6	Very high	89.4	Confident	23 Å²	23	56.5 Å²	56.5	10%	0.101	32%	0.318	C	S	.	.	H	α-helix	trans	-57.2	-43.3	-175.3	-64.2	-2.6	0	0	0	113.1	V195 S197 C202 L203 E204 I278 N281	V195-F200 HydrophobicContact CG1-CE1 4.33Å; S197-F200 WeakPolarHBondContact O-CB 3.2Å; S197-F200 WeakPolarHBondContact O-CG 3.1Å; S197-F200 PolarHBondContact O-N 3.24Å; F200-C202 VanDerWaalsContact C-N 3.27Å; F200-C202 PolarHBondContact O-N 3.43Å; F200-L203 PolarHBondContact O-N 3.4Å; F200-E204 WeakPolarHBondContact O-CB 3.48Å; F200-E204 VanDerWaalsContact O-CG 3.32Å; F200-E204 WeakPolarHBondContact O-CG 3.29Å; F200-E204 PolarHBondContact O-N 2.98Å; F200-I278 HydrophobicContact CB-CB 4.48Å; F200-I278 HydrophobicContact CB-CG2 4.4Å; F200-I278 HydrophobicContact CD1-CG2 3.65Å; F200-I278 HydrophobicContact CD2-CG2 3.95Å; F200-I278 HydrophobicContact CE1-CG2 3.81Å; F200-I278 HydrophobicContact CE2-CG2 4.09Å; F200-I278 HydrophobicContact CG-CB 4.29Å; F200-I278 HydrophobicContact CG-CG2 3.74Å; F200-I278 HydrophobicContact CZ-CG2 4.03Å; F200-N281 HydrophobicContact CE1-CB 4.1Å; F200-N281 HydrophobicContact CZ-CB 4.04Å; F200-N281 WeakPolarHBondContact CZ-OD1 3.5Å
201	P	94.8	Very high	90.2	Very high	89 Å²	89	51.6 Å²	51.6	58%	0.578	29%	0.292	S	S	*	.	H	α-helix	trans	-60.2	-35.6	177.5	-24.4	35.9	0	0	0	113.4	N198 S205	N198-P201 WeakPolarHBondContact O-CD 3.37Å; P201-S205 VanDerWaalsContact O-CB 3.29Å; P201-S205 WeakPolarHBondContact O-CB 3.25Å; P201-S205 PolarHBondContact O-N 3.25Å; P201-S205 VanDerWaalsContact O-N 3.08Å
202	C	94.1	Very high	91.3	Very high	30 Å²	30	53.9 Å²	53.9	20%	0.203	30%	0.295	C	S	.	.	H	α-helix	trans	-67.6	-51	177.2	-174.9	0	0	0	0	110.9	K44 D199 F200 E204 S205 L206	K44-C202 VanDerWaalsContact O-CB 3.28Å; K44-C202 WeakPolarHBondContact O-CB 3.18Å; K44-C202 PolarHBondContact O-SG 2.83Å; D199-C202 WeakPolarHBondContact O-CB 3.39Å; D199-C202 PolarHBondContact O-N 3.44Å; D199-C202 VanDerWaalsContact O-N 3.08Å; F200-C202 VanDerWaalsContact C-N 3.27Å; F200-C202 PolarHBondContact O-N 3.43Å; C202-E204 PolarHBondContact O-N 2.91Å; C202-S205 WeakPolarHBondContact O-CB 3.48Å; C202-S205 PolarHBondContact O-N 3.37Å; C202-L206 PolarHBondContact O-N 2.96Å
203	L	95.1	Very high	92.8	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-59.9	-46.7	178.4	-70.6	167.4	0	0	0	111.8	A164 M165 V168 Y169 D199 F200 S205 L206 C207 I278 I298	A164-L203 HydrophobicContact CB-CD2 4.13Å; M165-L203 HydrophobicContact CG-CD2 4.27Å; V168-L203 HydrophobicContact CB-CD2 4.08Å; V168-L203 HydrophobicContact CG1-CD2 4.49Å; V168-L203 HydrophobicContact CG2-CD2 3.82Å; Y169-L203 HydrophobicContact CE2-CD1 4.12Å; Y169-L203 HydrophobicContact CE2-CD2 4.05Å; Y169-L203 HydrophobicContact CE2-CG 4.46Å; D199-L203 PolarHBondContact O-N 3.27Å; D199-L203 VanDerWaalsContact O-N 3.12Å; F200-L203 PolarHBondContact O-N 3.4Å; L203-S205 VanDerWaalsContact C-N 3.29Å; L203-S205 PolarHBondContact O-N 3.42Å; L203-L206 PolarHBondContact O-N 2.82Å; L203-C207 PolarHBondContact O-N 3.18Å; L203-C207 PolarHBondContact O-SG 3.39Å; L203-I278 HydrophobicContact CB-CD1 3.42Å; L203-I278 VanDerWaalsContact CB-CD1 3.42Å; L203-I278 HydrophobicContact CD1-CD1 4.07Å; L203-I278 HydrophobicContact CG-CD1 4.39Å; L203-I298 HydrophobicContact CD1-CD1 3.77Å
204	E	96.1	Very high	93.8	Very high	22 Å²	22	54.6 Å²	54.6	10%	0.103	30%	0.296	C	S	.	.	H	α-helix	trans	-61.9	-36.7	177.6	-73.3	-177.6	169.5	0	0	112.2	F200 C202 K208 K277 I278	F200-E204 WeakPolarHBondContact O-CB 3.48Å; F200-E204 VanDerWaalsContact O-CG 3.32Å; F200-E204 WeakPolarHBondContact O-CG 3.29Å; F200-E204 PolarHBondContact O-N 2.98Å; C202-E204 PolarHBondContact O-N 2.91Å; E204-K208 WeakPolarHBondContact O-CB 3.47Å; E204-K208 VanDerWaalsContact O-CG 3.26Å; E204-K208 WeakPolarHBondContact O-CG 3.4Å; E204-K208 PolarHBondContact O-N 3.1Å; E204-K277 VanDerWaalsContact CD-NZ 3.3Å; E204-K277 VanDerWaalsContact OE1-CD 3.27Å; E204-K277 WeakPolarHBondContact OE1-CD 2.97Å; E204-K277 VanDerWaalsContact OE1-CE 3.28Å; E204-K277 WeakPolarHBondContact OE1-CE 3.5Å; E204-K277 IonicContact OE1-NZ 3.69Å; E204-K277 PolarHBondContact OE1-NZ 2.84Å; E204-K277 IonicContact OE2-NZ 3.58Å; E204-K277 PolarHBondContact OE2-NZ 3.32Å; E204-I278 HydrophobicContact CG-CB 4.17Å; E204-I278 HydrophobicContact CG-CD1 3.99Å; E204-I278 HydrophobicContact CG-CG1 3.96Å; E204-I278 PolarHBondContact OE1-N 2.99Å
205	S	95.9	Very high	94.6	Very high	59 Å²	59	53.1 Å²	53.1	41%	0.413	28%	0.277	S	S	.	.	H	α-helix	trans	-64	-43.5	175	-174.5	0	0	0	0	111.6	P201 C202 L203 K208 K209	P201-S205 VanDerWaalsContact O-CB 3.29Å; P201-S205 WeakPolarHBondContact O-CB 3.25Å; P201-S205 PolarHBondContact O-N 3.25Å; P201-S205 VanDerWaalsContact O-N 3.08Å; C202-S205 WeakPolarHBondContact O-CB 3.48Å; C202-S205 PolarHBondContact O-N 3.37Å; L203-S205 VanDerWaalsContact C-N 3.29Å; L203-S205 PolarHBondContact O-N 3.42Å; S205-K208 WeakPolarHBondContact O-CB 3.37Å; S205-K208 PolarHBondContact O-N 3.4Å; S205-K209 WeakPolarHBondContact O-CG 3.42Å; S205-K209 PolarHBondContact O-N 3.3Å; S205-K209 VanDerWaalsContact O-N 3.12Å
206	L	95.3	Very high	95	Very high	4 Å²	4	55.8 Å²	55.8	2%	0.021	29%	0.294	C	S	.	.	H	α-helix	trans	-66.1	-45.8	175.5	-71	173.8	0	0	0	112.2	E46 A164 V168 C202 L203 K208 K209 I210	E46-L206 HydrophobicContact CB-CD1 4.42Å; E46-L206 WeakPolarHBondContact OE2-CD2 3.31Å; A164-L206 HydrophobicContact CB-CB 4.03Å; V168-L206 HydrophobicContact CG2-CD1 3.3Å; C202-L206 PolarHBondContact O-N 2.96Å; L203-L206 PolarHBondContact O-N 2.82Å; L206-K208 PolarHBondContact O-N 3Å; L206-K209 HydrophobicContact CD2-CD 4.25Å; L206-K209 WeakPolarHBondContact O-CA 3.49Å; L206-K209 WeakPolarHBondContact O-CB 3.49Å; L206-K209 PolarHBondContact O-N 2.93Å; L206-I210 WeakPolarHBondContact O-CG1 3.3Å; L206-I210 PolarHBondContact O-N 3.32Å
207	C	96.8	Very high	95.3	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.007	28%	0.283	C	S	.	.	H	α-helix	trans	-54.9	-41.6	174	-68.5	0	0	0	0	111.4	I160 L203 K209 I210 I211 L276	I160-C207 HydrophobicContact CG2-CB 3.93Å; L203-C207 PolarHBondContact O-N 3.18Å; L203-C207 PolarHBondContact O-SG 3.39Å; C207-K209 PolarHBondContact O-N 3.19Å; C207-I210 PolarHBondContact O-N 2.97Å; C207-I211 WeakPolarHBondContact O-CB 3.3Å; C207-I211 WeakPolarHBondContact O-CD1 3.33Å; C207-I211 WeakPolarHBondContact O-CG1 3.29Å; C207-I211 PolarHBondContact O-N 3.02Å; C207-L276 HydrophobicContact CB-CD1 4.47Å; C207-L276 HydrophobicContact CB-CD2 4.07Å
208	K	96.4	Very high	95.6	Very high	133 Å²	133	53.6 Å²	53.6	58%	0.578	27%	0.271	S	S	*	.	H	α-helix	trans	-62.8	-38	175.3	-75.8	169.8	-176.4	172.3	0	112.9	E204 S205 L206 K212	E204-K208 WeakPolarHBondContact O-CB 3.47Å; E204-K208 VanDerWaalsContact O-CG 3.26Å; E204-K208 WeakPolarHBondContact O-CG 3.4Å; E204-K208 PolarHBondContact O-N 3.1Å; S205-K208 WeakPolarHBondContact O-CB 3.37Å; S205-K208 PolarHBondContact O-N 3.4Å; L206-K208 PolarHBondContact O-N 3Å; K208-K212 WeakPolarHBondContact O-CB 3.47Å; K208-K212 PolarHBondContact O-N 2.71Å
209	K	96.2	Very high	95.7	Very high	105 Å²	105	53 Å²	53	46%	0.457	26%	0.263	S	S	.	.	H	α-helix	trans	-63.7	-50.4	173.4	-65.7	177.4	-168.4	172.3	0	110.6	S205 L206 C207 I211 K212 D213	S205-K209 WeakPolarHBondContact O-CG 3.42Å; S205-K209 PolarHBondContact O-N 3.3Å; S205-K209 VanDerWaalsContact O-N 3.12Å; L206-K209 HydrophobicContact CD2-CD 4.25Å; L206-K209 WeakPolarHBondContact O-CA 3.49Å; L206-K209 WeakPolarHBondContact O-CB 3.49Å; L206-K209 PolarHBondContact O-N 2.93Å; C207-K209 PolarHBondContact O-N 3.19Å; K209-I211 VanDerWaalsContact C-N 3.3Å; K209-I211 PolarHBondContact O-N 3.38Å; K209-K212 WeakPolarHBondContact O-CA 3.33Å; K209-K212 WeakPolarHBondContact O-CB 3.24Å; K209-K212 PolarHBondContact O-N 3.28Å; K209-D213 VanDerWaalsContact O-CG 3.25Å; K209-D213 PolarHBondContact O-N 3.37Å
210	I	96.8	Very high	95.8	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-57	-42.4	179	-65.2	163.5	0	0	0	111.7	I160 E163 A164 L206 C207 D213 T270	I160-I210 HydrophobicContact CB-CG2 4.45Å; I160-I210 HydrophobicContact CG1-CG2 4.24Å; I160-I210 HydrophobicContact CG2-CB 4.15Å; I160-I210 HydrophobicContact CG2-CD1 4.46Å; I160-I210 HydrophobicContact CG2-CG2 3.87Å; E163-I210 HydrophobicContact CB-CD1 3.95Å; E163-I210 VanDerWaalsContact CD-CD1 3.48Å; E163-I210 HydrophobicContact CG-CD1 3.79Å; E163-I210 HydrophobicContact CG-CG1 4.48Å; E163-I210 WeakPolarHBondContact OE1-CG1 3.45Å; E163-I210 WeakPolarHBondContact OE2-CG2 3.47Å; A164-I210 HydrophobicContact CB-CD1 4.23Å; L206-I210 WeakPolarHBondContact O-CG1 3.3Å; L206-I210 PolarHBondContact O-N 3.32Å; C207-I210 PolarHBondContact O-N 2.97Å; I210-D213 PolarHBondContact O-N 3.48Å; I210-T270 HydrophobicContact CG2-CG2 3.91Å; I210-T270 PolarHBondContact O-OG1 3.01Å
211	I	96.9	Very high	95.7	Very high	23 Å²	23	56.4 Å²	56.4	12%	0.118	28%	0.279	C	S	.	.	H	α-helix	trans	-62.8	-43.2	175.1	-73.4	167.4	0	0	0	111.3	I160 C207 K209 D213 K214 G271 I273 L276	I160-I211 HydrophobicContact CD1-CG1 3.91Å; I160-I211 HydrophobicContact CG2-CG1 4.33Å; C207-I211 WeakPolarHBondContact O-CB 3.3Å; C207-I211 WeakPolarHBondContact O-CD1 3.33Å; C207-I211 WeakPolarHBondContact O-CG1 3.29Å; C207-I211 PolarHBondContact O-N 3.02Å; K209-I211 VanDerWaalsContact C-N 3.3Å; K209-I211 PolarHBondContact O-N 3.38Å; I211-D213 VanDerWaalsContact C-N 3.29Å; I211-D213 PolarHBondContact O-N 3.45Å; I211-K214 PolarHBondContact O-N 3.45Å; I211-G271 VanDerWaalsContact O-CA 3.32Å; I211-G271 WeakPolarHBondContact O-CA 3.37Å; I211-G271 PolarHBondContact O-N 3.45Å; I211-I273 HydrophobicContact CD1-CB 4.17Å; I211-I273 HydrophobicContact CD1-CG2 4Å; I211-I273 HydrophobicContact CG1-CB 4.26Å; I211-I273 WeakPolarHBondContact CG2-O 3.35Å; I211-L276 HydrophobicContact CD1-CB 4.26Å
212	K	96.5	Very high	95.7	Very high	172 Å²	172	52.7 Å²	52.7	75%	0.748	25%	0.254	S	S	*	.	H	α-helix	trans	-65.3	-33.4	179.5	-172.1	-177.9	177.9	-174.2	0	112.1	K208 K209 K214	K208-K212 WeakPolarHBondContact O-CB 3.47Å; K208-K212 PolarHBondContact O-N 2.71Å; K209-K212 WeakPolarHBondContact O-CA 3.33Å; K209-K212 WeakPolarHBondContact O-CB 3.24Å; K209-K212 PolarHBondContact O-N 3.28Å; K212-K214 PolarHBondContact O-N 3.49Å
213	D	96.2	Very high	95.7	Very high	98 Å²	98	57.6 Å²	57.6	52%	0.524	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-15.1	179.1	-65.1	-16.1	0	0	0	113	K209 I210 I211 Q215	K209-D213 VanDerWaalsContact O-CG 3.25Å; K209-D213 PolarHBondContact O-N 3.37Å; I210-D213 PolarHBondContact O-N 3.48Å; I211-D213 VanDerWaalsContact C-N 3.29Å; I211-D213 PolarHBondContact O-N 3.45Å; D213-Q215 HydrophobicContact CB-CG 3.87Å; D213-Q215 PolarHBondContact O-N 3.47Å
214	K	96.8	Very high	95.6	Very high	133 Å²	133	59.5 Å²	59.5	58%	0.578	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	43.2	-179.3	-56.6	-176.8	179.7	178	0	112.6	I211 K212 T270	I211-K214 PolarHBondContact O-N 3.45Å; K212-K214 PolarHBondContact O-N 3.49Å; K214-T270 WeakPolarHBondContact CA-OG1 3.47Å
215	Q	97.4	Very high	95.4	Very high	16 Å²	16	64.5 Å²	64.5	8%	0.075	30%	0.304	C	S	.	.			trans	-59.2	129.8	-179.7	-56.3	174.5	-0.4	0	0	109.8	E163 D213 C255 G256 H269 T270	E163-Q215 PolarHBondContact OE1-NE2 3.3Å; E163-Q215 VanDerWaalsContact OE1-NE2 3.08Å; E163-Q215 PolarHBondContact OE2-OE1 3.26Å; D213-Q215 HydrophobicContact CB-CG 3.87Å; D213-Q215 PolarHBondContact O-N 3.47Å; Q215-C255 VanDerWaalsContact OE1-C 3.31Å; Q215-C255 PolarHBondContact OE1-O 2.99Å; Q215-C255 PolarHBondContact OE1-SG 2.89Å; Q215-C255 VanDerWaalsContact OE1-SG 3.37Å; Q215-G256 VanDerWaalsContact OE1-CA 3.24Å; Q215-H269 CarbonylContact O-C 3.33Å; Q215-H269 WeakPolarHBondContact O-CA 3.35Å; Q215-H269 VanDerWaalsContact O-CB 3.3Å; Q215-H269 WeakPolarHBondContact O-CB 3.44Å; Q215-T270 HydrophobicContact CB-CG2 3.95Å; Q215-T270 PolarHBondContact N-OG1 2.99Å; Q215-T270 PolarHBondContact O-N 3.41Å
216	P	97	Very high	95.3	Very high	65 Å²	65	63.7 Å²	63.7	42%	0.422	30%	0.296	S	S	.	.	B	Isolated β-bridge	trans	-73.1	148.2	178.3	30.2	-34.2	0	0	0	111	E218 R268	P216-E218 HydrophobicContact CB-CG 4.4Å; P216-E218 HydrophobicContact CG-CG 4.3Å; P216-R268 WeakPolarHBondContact CA-O 3.36Å
217	F	96.5	Very high	95.2	Very high	22 Å²	22	63.5 Å²	63.5	10%	0.096	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	112.9	167.9	-74.8	-91.4	0	0	0	109.4	H159 Y253 R254 C255 H266 V267 R268 T270	H159-F217 HydrophobicContact CB-CE1 3.85Å; H159-F217 HydrophobicContact CB-CZ 4.37Å; F217-Y253 HydrophobicContact CB-CD1 4.49Å; F217-R254 WeakPolarHBondContact CA-O 3.23Å; F217-C255 HydrophobicContact CD1-CB 3.91Å; F217-C255 HydrophobicContact CE1-CB 3.74Å; F217-C255 HydrophobicContact CZ-CB 4.27Å; F217-H266 HydrophobicContact CB-CB 3.83Å; F217-H266 HydrophobicContact CD1-CB 3.69Å; F217-H266 AromaticContact CD1-CG 3.64Å; F217-H266 AromaticContact CD1-ND1 3.84Å; F217-H266 HydrophobicContact CD2-CB 4.34Å; F217-H266 HydrophobicContact CE1-CB 4.32Å; F217-H266 AromaticContact CE1-ND1 3.73Å; F217-H266 HydrophobicContact CG-CB 3.7Å; F217-V267 WeakPolarHBondContact CB-O 3.2Å; F217-V267 HydrophobicContact CD2-CG2 4.07Å; F217-V267 WeakPolarHBondContact CD2-O 3.48Å; F217-V267 HydrophobicContact CE2-CG2 3.74Å; F217-V267 WeakPolarHBondContact CG-O 3.17Å; F217-R268 PolarHBondContact N-O 2.93Å; F217-T270 HydrophobicContact CE2-CG2 3.96Å; F217-T270 HydrophobicContact CZ-CG2 4.21Å
218	E	94.8	Very high	95.1	Very high	47 Å²	47	65.8 Å²	65.8	22%	0.22	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	111.3	-174.6	-63.2	175.1	163.2	0	0	110.3	Y61 P216 Y253 R254	Y61-E218 WeakPolarHBondContact OH-CB 3.43Å; Y61-E218 PolarHBondContact OH-O 2.99Å; P216-E218 HydrophobicContact CB-CG 4.4Å; P216-E218 HydrophobicContact CG-CG 4.3Å; E218-Y253 WeakPolarHBondContact O-CA 3.4Å; E218-R254 HydrophobicContact CB-CB 4.34Å; E218-R254 PolarHBondContact N-O 3.28Å; E218-R254 PolarHBondContact O-N 2.96Å; E218-R254 IonicContact OE1-NH1 3.46Å; E218-R254 IonicContact OE2-CZ 2.76Å; E218-R254 IonicContact OE2-NH1 3.69Å; E218-R254 PolarHBondContact OE2-NH1 3.36Å
219	R	93.8	Very high	95	Very high	63 Å²	63	64.5 Å²	64.5	24%	0.238	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	133.8	178.4	-174.2	-176.6	179	-82.4	2.7	110.9	Y253	R219-Y253 HydrophobicContact CB-CD1 4.04Å; R219-Y253 HydrophobicContact CB-CE1 3.52Å; R219-Y253 VanDerWaalsContact CD-OH 3.28Å; R219-Y253 WeakPolarHBondContact CD-OH 3.44Å; R219-Y253 HydrophobicContact CG-CE1 3.87Å; R219-Y253 HydrophobicContact CG-CE2 4.05Å
220	L	94.1	Very high	94.8	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.01	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	148.3	165.1	-71.3	-176.6	0	0	0	111.2	Y61 L64 K65 H68 I222 T251 V252	Y61-L220 HydrophobicContact CD2-CD1 4.03Å; Y61-L220 HydrophobicContact CE1-CD1 4.04Å; Y61-L220 HydrophobicContact CE2-CB 4.49Å; Y61-L220 HydrophobicContact CE2-CD1 3.5Å; Y61-L220 VanDerWaalsContact CE2-CD1 3.5Å; Y61-L220 HydrophobicContact CE2-CG 4.04Å; Y61-L220 VanDerWaalsContact CZ-CD1 3.49Å; L64-L220 HydrophobicContact CB-CD1 4.35Å; K65-L220 HydrophobicContact CB-CD1 4.11Å; K65-L220 HydrophobicContact CD-CD1 4.16Å; K65-L220 HydrophobicContact CD-CD2 3.74Å; K65-L220 HydrophobicContact CD-CG 4.16Å; H68-L220 HydrophobicContact CB-CD2 3.5Å; H68-L220 VanDerWaalsContact CB-CD2 3.5Å; H68-L220 WeakPolarHBondContact CD2-CD2 3.42Å; L220-I222 HydrophobicContact CB-CD1 3.98Å; L220-I222 HydrophobicContact CB-CG1 3.91Å; L220-I222 HydrophobicContact CD1-CD1 4.2Å; L220-T251 CarbonylContact O-C 3.47Å; L220-T251 VanDerWaalsContact O-CA 3.26Å; L220-T251 WeakPolarHBondContact O-CA 3.39Å; L220-V252 HydrophobicContact CB-CG2 4.01Å; L220-V252 PolarHBondContact N-O 2.98Å; L220-V252 PolarHBondContact O-N 2.82Å
221	E	93.1	Very high	94.7	Very high	100 Å²	100	59.9 Å²	59.9	47%	0.467	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	119.4	167.6	-176.4	172	-179.9	0	0	109	T249 T251	E221-T249 HydrophobicContact CG-CG2 4.49Å; E221-T249 WeakPolarHBondContact OE1-CB 3.49Å; E221-T249 PolarHBondContact OE1-OG1 3.11Å; E221-T251 HydrophobicContact CB-CG2 4.38Å
222	I	93.4	Very high	94.6	Very high	10 Å²	10	64.5 Å²	64.5	5%	0.051	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	148	-167.8	-54.1	178.9	0	0	0	109.5	L64 L220 T226 L227 M230 T249 T250 V252	L64-I222 HydrophobicContact CD1-CD1 3.87Å; L64-I222 HydrophobicContact CD1-CG2 4.1Å; L220-I222 HydrophobicContact CB-CD1 3.98Å; L220-I222 HydrophobicContact CB-CG1 3.91Å; L220-I222 HydrophobicContact CD1-CD1 4.2Å; I222-T226 HydrophobicContact CG2-CG2 3.95Å; I222-L227 HydrophobicContact CB-CD1 4.23Å; I222-L227 HydrophobicContact CB-CD2 3.91Å; I222-L227 HydrophobicContact CB-CG 3.98Å; I222-L227 HydrophobicContact CD1-CD2 4.07Å; I222-L227 HydrophobicContact CG2-CD2 3.9Å; I222-L227 HydrophobicContact CG2-CG 3.85Å; I222-M230 HydrophobicContact CD1-CE 4.37Å; I222-T249 VanDerWaalsContact O-CA 3.29Å; I222-T249 WeakPolarHBondContact O-CA 3.43Å; I222-T250 PolarHBondContact N-O 2.98Å; I222-T250 PolarHBondContact O-N 3.43Å; I222-V252 HydrophobicContact CD1-CG2 3.36Å; I222-V252 HydrophobicContact CG1-CG2 4.11Å
223	K	94.4	Very high	94.3	Very high	134 Å²	134	59 Å²	59	58%	0.583	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.8	143.2	174.8	-65.7	-177.4	-179.1	178.5	0	111.9	E225 T226 L227 T249	K223-E225 VanDerWaalsContact C-N 3.27Å; K223-E225 PolarHBondContact O-N 3.28Å; K223-T226 PolarHBondContact O-N 3.32Å; K223-L227 WeakPolarHBondContact O-CG 3.18Å; K223-L227 PolarHBondContact O-N 2.84Å; K223-L227 VanDerWaalsContact O-N 3.16Å; K223-T249 HydrophobicContact CG-CG2 4.2Å
224	K	93.2	Very high	94.2	Very high	39 Å²	39	54.4 Å²	54.4	17%	0.17	25%	0.253	C	S	.	.	H	α-helix	trans	-55	-40.4	-179.1	-177.9	171.5	174.2	166.5	0	112.7	L227 L228 L241 V245 P248	K224-L227 PolarHBondContact O-N 2.66Å; K224-L228 HydrophobicContact CG-CD1 4.4Å; K224-L228 WeakPolarHBondContact O-CG 3.28Å; K224-L228 PolarHBondContact O-N 3.42Å; K224-L241 WeakPolarHBondContact CE-O 3.35Å; K224-L241 PolarHBondContact NZ-O 3Å; K224-V245 PolarHBondContact NZ-O 2.92Å; K224-P248 PolarHBondContact N-O 3.45Å
225	E	93.1	Very high	94	Very high	128 Å²	128	51.6 Å²	51.6	60%	0.598	24%	0.241	S	C	*	.	H	α-helix	trans	-65.8	-41.5	-178.2	-59.3	71.7	-152.7	0	0	111.9	K223 L227 L228 E229	K223-E225 VanDerWaalsContact C-N 3.27Å; K223-E225 PolarHBondContact O-N 3.28Å; E225-L227 VanDerWaalsContact C-N 3.3Å; E225-L227 PolarHBondContact O-N 3.43Å; E225-L228 PolarHBondContact O-N 3.3Å; E225-E229 PolarHBondContact O-N 3.1Å
226	T	93.6	Very high	93.9	Very high	42 Å²	42	50.9 Å²	50.9	26%	0.258	24%	0.237	S	C	.	.	H	α-helix	trans	-66.7	-35	176.8	-52.1	0	0	0	0	111.5	L60 L64 I222 K223 E229 M230	L60-T226 HydrophobicContact CD1-CG2 4.49Å; L60-T226 HydrophobicContact CD2-CG2 4.39Å; L64-T226 HydrophobicContact CD1-CG2 3.65Å; L64-T226 HydrophobicContact CD2-CG2 4.2Å; I222-T226 HydrophobicContact CG2-CG2 3.95Å; K223-T226 PolarHBondContact O-N 3.32Å; T226-E229 PolarHBondContact O-N 2.94Å; T226-M230 WeakPolarHBondContact O-CB 3.42Å; T226-M230 PolarHBondContact O-N 2.77Å
227	L	93.1	Very high	93.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-70.7	-35.8	176.2	-67.1	174.6	0	0	0	112.7	I222 K223 K224 E225 E229 M230 F231 L241 T250 V252 L261	I222-L227 HydrophobicContact CB-CD1 4.23Å; I222-L227 HydrophobicContact CB-CD2 3.91Å; I222-L227 HydrophobicContact CB-CG 3.98Å; I222-L227 HydrophobicContact CD1-CD2 4.07Å; I222-L227 HydrophobicContact CG2-CD2 3.9Å; I222-L227 HydrophobicContact CG2-CG 3.85Å; K223-L227 WeakPolarHBondContact O-CG 3.18Å; K223-L227 PolarHBondContact O-N 2.84Å; K223-L227 VanDerWaalsContact O-N 3.16Å; K224-L227 PolarHBondContact O-N 2.66Å; E225-L227 VanDerWaalsContact C-N 3.3Å; E225-L227 PolarHBondContact O-N 3.43Å; L227-E229 VanDerWaalsContact C-N 3.3Å; L227-E229 PolarHBondContact O-N 3.3Å; L227-M230 HydrophobicContact CD2-SD 4.27Å; L227-M230 PolarHBondContact O-N 3.04Å; L227-F231 HydrophobicContact CB-CD2 4.5Å; L227-F231 HydrophobicContact CD2-CE2 4.2Å; L227-F231 WeakPolarHBondContact O-CB 3.33Å; L227-F231 WeakPolarHBondContact O-CD2 3.44Å; L227-F231 PolarHBondContact O-N 3.49Å; L227-L241 HydrophobicContact CB-CD1 3.79Å; L227-L241 HydrophobicContact CB-CD2 4.08Å; L227-L241 HydrophobicContact CD1-CD2 4.03Å; L227-T250 HydrophobicContact CD1-CG2 3.22Å; L227-V252 HydrophobicContact CD1-CG1 4.25Å; L227-V252 HydrophobicContact CD2-CG1 3.37Å; L227-V252 HydrophobicContact CG-CG1 4.46Å; L227-L261 HydrophobicContact CD1-CD1 4.3Å
228	L	94.1	Very high	93.6	Very high	49 Å²	49	48.1 Å²	48.1	26%	0.257	22%	0.221	S	C	.	.	H	α-helix	trans	-62.1	-38.8	173.6	-74.5	168.9	0	0	0	111.7	K224 E225 K232 C238 L241	K224-L228 HydrophobicContact CG-CD1 4.4Å; K224-L228 WeakPolarHBondContact O-CG 3.28Å; K224-L228 PolarHBondContact O-N 3.42Å; E225-L228 PolarHBondContact O-N 3.3Å; L228-K232 PolarHBondContact O-N 3.34Å; L228-K232 VanDerWaalsContact O-N 3.15Å; L228-C238 HydrophobicContact CD2-CB 4.14Å; L228-L241 HydrophobicContact CD2-CB 3.95Å; L228-L241 HydrophobicContact CD2-CD1 3.94Å; L228-L241 HydrophobicContact CG-CD1 4.2Å
229	E	93.3	Very high	93.6	Very high	105 Å²	105	48.8 Å²	48.8	49%	0.491	22%	0.222	S	C	.	.	H	α-helix	trans	-68.3	-44.3	173	-178	57.9	-152.7	0	0	111.6	E225 T226 L227 F231 K232	E225-E229 PolarHBondContact O-N 3.1Å; T226-E229 PolarHBondContact O-N 2.94Å; L227-E229 VanDerWaalsContact C-N 3.3Å; L227-E229 PolarHBondContact O-N 3.3Å; E229-F231 VanDerWaalsContact C-N 3.31Å; E229-F231 PolarHBondContact O-N 3.32Å; E229-K232 WeakPolarHBondContact O-CB 3.43Å; E229-K232 WeakPolarHBondContact O-CG 3.46Å; E229-K232 PolarHBondContact O-N 3.33Å; E229-K232 WeakPolarHBondContact OE1-CD 3.05Å; E229-K232 IonicContact OE1-NZ 2.77Å; E229-K232 PolarHBondContact OE1-NZ 2.68Å
230	M	93.3	Very high	93.5	Very high	9 Å²	9	46.7 Å²	46.7	4%	0.044	22%	0.215	C	C	.	.	H	α-helix	trans	-58.7	-41.2	178.7	-174.5	179.6	-73.1	0	0	112.5	R57 L60 L64 I222 T226 L227 I259	R57-M230 HydrophobicContact CB-CG 4.02Å; L60-M230 HydrophobicContact CB-CE 4.47Å; L60-M230 HydrophobicContact CD2-CB 3.79Å; L60-M230 HydrophobicContact CD2-CE 3.91Å; L60-M230 HydrophobicContact CD2-CG 4.23Å; L60-M230 HydrophobicContact CG-CE 3.96Å; L64-M230 HydrophobicContact CD1-CE 3.88Å; I222-M230 HydrophobicContact CD1-CE 4.37Å; T226-M230 WeakPolarHBondContact O-CB 3.42Å; T226-M230 PolarHBondContact O-N 2.77Å; L227-M230 HydrophobicContact CD2-SD 4.27Å; L227-M230 PolarHBondContact O-N 3.04Å; M230-I259 HydrophobicContact SD-CD1 4.46Å; M230-I259 HydrophobicContact SD-CG2 3.85Å
231	F	94.6	Very high	93.4	Very high	1 Å²	1	46.6 Å²	46.6	0%	0.004	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	16.9	-176.4	-68.9	-67.3	0	0	0	113.7	L227 E229 Y233 N234 K237 C238 L241 V252 I259 L261	L227-F231 HydrophobicContact CB-CD2 4.5Å; L227-F231 HydrophobicContact CD2-CE2 4.2Å; L227-F231 WeakPolarHBondContact O-CB 3.33Å; L227-F231 WeakPolarHBondContact O-CD2 3.44Å; L227-F231 PolarHBondContact O-N 3.49Å; E229-F231 VanDerWaalsContact C-N 3.31Å; E229-F231 PolarHBondContact O-N 3.32Å; F231-Y233 HydrophobicContact CD1-CE1 4.17Å; F231-Y233 PolarHBondContact O-N 3.47Å; F231-N234 CarbonylContact O-C 3.48Å; F231-N234 WeakPolarHBondContact O-CA 3.39Å; F231-N234 PolarHBondContact O-N 2.93Å; F231-K237 HydrophobicContact CB-CB 3.91Å; F231-K237 HydrophobicContact CD1-CB 4.12Å; F231-K237 HydrophobicContact CD1-CG 4.15Å; F231-K237 HydrophobicContact CD2-CB 4.49Å; F231-K237 HydrophobicContact CG-CB 3.93Å; F231-K237 HydrophobicContact CG-CG 4.46Å; F231-C238 PolarHBondContact O-SG 3.2Å; F231-L241 HydrophobicContact CD2-CD1 4.37Å; F231-V252 HydrophobicContact CE2-CG1 4.27Å; F231-I259 WeakPolarHBondContact CE1-O 3.34Å; F231-I259 HydrophobicContact CZ-CG2 4.26Å; F231-L261 HydrophobicContact CE2-CB 4.36Å
232	K	93.6	Very high	93.4	Very high	119 Å²	119	46.3 Å²	46.3	52%	0.517	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-28.9	-178.2	69.2	-174.9	172.8	-167.9	0	114.4	L228 E229 N234	L228-K232 PolarHBondContact O-N 3.34Å; L228-K232 VanDerWaalsContact O-N 3.15Å; E229-K232 WeakPolarHBondContact O-CB 3.43Å; E229-K232 WeakPolarHBondContact O-CG 3.46Å; E229-K232 PolarHBondContact O-N 3.33Å; E229-K232 WeakPolarHBondContact OE1-CD 3.05Å; E229-K232 IonicContact OE1-NZ 2.77Å; E229-K232 PolarHBondContact OE1-NZ 2.68Å; K232-N234 VanDerWaalsContact C-N 3.32Å
233	Y	91.4	Very high	93.3	Very high	57 Å²	57	51.3 Å²	51.3	22%	0.224	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-21.8	176.8	73.4	-86.5	0	0	0	113.3	Y53 R57 F231	Y53-Y233 AromaticContact CD1-CD2 3.6Å; Y53-Y233 HydrophobicContact CD1-CD2 3.6Å; Y53-Y233 AromaticContact CD1-CE2 3.9Å; Y53-Y233 HydrophobicContact CD1-CE2 3.9Å; Y53-Y233 HydrophobicContact CD1-CG 4.17Å; Y53-Y233 HydrophobicContact CD2-CD1 4.43Å; Y53-Y233 AromaticContact CD2-CD2 3.88Å; Y53-Y233 HydrophobicContact CD2-CD2 3.88Å; Y53-Y233 HydrophobicContact CD2-CE1 4.03Å; Y53-Y233 AromaticContact CD2-CE2 3.39Å; Y53-Y233 HydrophobicContact CD2-CE2 3.39Å; Y53-Y233 HydrophobicContact CD2-CG 4.37Å; Y53-Y233 AromaticContact CD2-CZ 3.48Å; Y53-Y233 VanDerWaalsContact CD2-CZ 3.48Å; Y53-Y233 HydrophobicContact CE1-CD2 4.02Å; Y53-Y233 HydrophobicContact CE1-CE2 4.03Å; Y53-Y233 HydrophobicContact CE2-CD2 4.32Å; Y53-Y233 AromaticContact CE2-CE2 3.6Å; Y53-Y233 HydrophobicContact CE2-CE2 3.6Å; Y53-Y233 AromaticContact CE2-CZ 3.92Å; Y53-Y233 HydrophobicContact CG-CD1 4.17Å; Y53-Y233 AromaticContact CG-CD2 3.52Å; Y53-Y233 HydrophobicContact CG-CD2 3.52Å; Y53-Y233 HydrophobicContact CG-CE1 4.23Å; Y53-Y233 AromaticContact CG-CE2 3.58Å; Y53-Y233 HydrophobicContact CG-CE2 3.58Å; Y53-Y233 AromaticContact CG-CG 3.83Å; Y53-Y233 HydrophobicContact CG-CG 3.83Å; Y53-Y233 AromaticContact CG-CZ 3.95Å; Y53-Y233 AromaticContact CZ-CE2 3.91Å; R57-Y233 PolarHBondContact NH1-OH 3.33Å; F231-Y233 HydrophobicContact CD1-CE1 4.17Å; F231-Y233 PolarHBondContact O-N 3.47Å
234	N	93.6	Very high	93	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	23%	0.23	C	C	.	.			trans	-112.8	94.5	-175.3	-173	-28.7	0	0	0	111	L173 F231 K232 F236 K237 C238	L173-N234 PolarHBondContact N-ND2 3.04Å; L173-N234 PolarHBondContact O-ND2 3.24Å; F231-N234 CarbonylContact O-C 3.48Å; F231-N234 WeakPolarHBondContact O-CA 3.39Å; F231-N234 PolarHBondContact O-N 2.93Å; K232-N234 VanDerWaalsContact C-N 3.32Å; N234-F236 PolarHBondContact O-N 2.92Å; N234-F236 VanDerWaalsContact O-N 3.08Å; N234-F236 WeakPolarHBondContact OD1-CB 3.31Å; N234-F236 PolarHBondContact OD1-N 2.93Å; N234-K237 HydrophobicContact CB-CB 4.26Å; N234-K237 HydrophobicContact CB-CG 4.18Å; N234-K237 WeakPolarHBondContact ND2-CG 3.45Å; N234-K237 PolarHBondContact O-N 3.14Å; N234-K237 PolarHBondContact OD1-N 3.45Å; N234-K237 VanDerWaalsContact OD1-N 3.17Å; N234-C238 PolarHBondContact O-N 3.39Å; N234-C238 VanDerWaalsContact O-N 3.16Å
235	K	93.1	Very high	92.8	Very high	75 Å²	75	47.9 Å²	47.9	33%	0.326	23%	0.225	S	C	.	.	H	α-helix	trans	-53.8	-31.6	-180	65.3	177.9	177.9	171.9	0	113.6	R239 E293	K235-R239 WeakPolarHBondContact O-CG 3.34Å; K235-R239 PolarHBondContact O-N 2.76Å; K235-E293 IonicContact NZ-OE1 3.41Å; K235-E293 PolarHBondContact NZ-OE1 3.38Å
236	F	93.9	Very high	92.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-75.5	-41	-177.5	-62.4	-81	0	0	0	112.3	C172 C174 F188 N234 C238 R239 I240 W286 E293 L295	C172-F236 HydrophobicContact CB-CD2 3.94Å; C172-F236 HydrophobicContact CB-CE2 4.32Å; C174-F236 VanDerWaalsContact SG-CD2 3.59Å; C174-F236 WeakPolarHBondContact SG-CG 3.48Å; F188-F236 HydrophobicContact CB-CD2 4Å; F188-F236 HydrophobicContact CB-CE2 3.18Å; F188-F236 HydrophobicContact CB-CZ 3.64Å; F188-F236 AromaticContact CD1-CE2 3.51Å; F188-F236 HydrophobicContact CD1-CE2 3.51Å; F188-F236 HydrophobicContact CD1-CZ 4.06Å; F188-F236 HydrophobicContact CD2-CE2 4.01Å; F188-F236 AromaticContact CD2-CZ 3.76Å; F188-F236 HydrophobicContact CD2-CZ 3.76Å; F188-F236 HydrophobicContact CE1-CE2 4.33Å; F188-F236 HydrophobicContact CE2-CZ 4.44Å; F188-F236 HydrophobicContact CG-CD2 4.46Å; F188-F236 AromaticContact CG-CE2 3.29Å; F188-F236 HydrophobicContact CG-CE2 3.29Å; F188-F236 AromaticContact CG-CZ 3.55Å; F188-F236 HydrophobicContact CG-CZ 3.55Å; N234-F236 PolarHBondContact O-N 2.92Å; N234-F236 VanDerWaalsContact O-N 3.08Å; N234-F236 WeakPolarHBondContact OD1-CB 3.31Å; N234-F236 PolarHBondContact OD1-N 2.93Å; F236-C238 VanDerWaalsContact C-N 3.33Å; F236-R239 PolarHBondContact O-N 2.99Å; F236-I240 WeakPolarHBondContact O-CG1 3.44Å; F236-I240 PolarHBondContact O-N 2.92Å; F236-W286 HydrophobicContact CB-CE3 4.49Å; F236-W286 HydrophobicContact CB-CH2 3.78Å; F236-W286 HydrophobicContact CB-CZ3 3.71Å; F236-W286 AromaticContact CD1-CD2 3.62Å; F236-W286 HydrophobicContact CD1-CD2 3.62Å; F236-W286 AromaticContact CD1-CE3 3.19Å; F236-W286 HydrophobicContact CD1-CE3 3.19Å; F236-W286 HydrophobicContact CD1-CG 4.41Å; F236-W286 AromaticContact CD1-CH2 3.78Å; F236-W286 HydrophobicContact CD1-CH2 3.78Å; F236-W286 HydrophobicContact CD1-CZ2 4.16Å; F236-W286 AromaticContact CD1-CZ3 3.28Å; F236-W286 HydrophobicContact CD1-CZ3 3.28Å; F236-W286 HydrophobicContact CE1-CB 4.44Å; F236-W286 AromaticContact CE1-CD2 3.88Å; F236-W286 HydrophobicContact CE1-CD2 3.88Å; F236-W286 AromaticContact CE1-CE3 3.62Å; F236-W286 HydrophobicContact CE1-CE3 3.62Å; F236-W286 HydrophobicContact CE1-CG 4.24Å; F236-W286 HydrophobicContact CE1-CZ3 4.18Å; F236-W286 HydrophobicContact CG-CE3 4.14Å; F236-W286 HydrophobicContact CG-CH2 4.25Å; F236-W286 AromaticContact CG-CZ3 3.83Å; F236-W286 HydrophobicContact CG-CZ3 3.83Å; F236-E293 HydrophobicContact CE1-CB 4.28Å; F236-E293 HydrophobicContact CZ-CB 3.99Å; F236-E293 HydrophobicContact CZ-CG 4.3Å; F236-L295 HydrophobicContact CE1-CD2 4.02Å; F236-L295 HydrophobicContact CZ-CD2 3.91Å
237	K	93.8	Very high	92.4	Very high	7 Å²	7	49.7 Å²	49.7	3%	0.03	25%	0.245	C	C	.	.	H	α-helix	trans	-64.4	-39.7	173.7	-64.5	-65.1	-174.1	-175.1	0	111	L173 C174 F231 N234 I240 L241 D260 L261	L173-K237 WeakPolarHBondContact O-CE 3.4Å; C174-K237 PolarHBondContact O-NZ 2.96Å; F231-K237 HydrophobicContact CB-CB 3.91Å; F231-K237 HydrophobicContact CD1-CB 4.12Å; F231-K237 HydrophobicContact CD1-CG 4.15Å; F231-K237 HydrophobicContact CD2-CB 4.49Å; F231-K237 HydrophobicContact CG-CB 3.93Å; F231-K237 HydrophobicContact CG-CG 4.46Å; N234-K237 HydrophobicContact CB-CB 4.26Å; N234-K237 HydrophobicContact CB-CG 4.18Å; N234-K237 WeakPolarHBondContact ND2-CG 3.45Å; N234-K237 PolarHBondContact O-N 3.14Å; N234-K237 PolarHBondContact OD1-N 3.45Å; N234-K237 VanDerWaalsContact OD1-N 3.17Å; K237-I240 HydrophobicContact CD-CD1 4.42Å; K237-I240 PolarHBondContact O-N 2.8Å; K237-L241 WeakPolarHBondContact O-CG 3.24Å; K237-L241 PolarHBondContact O-N 2.88Å; K237-D260 WeakPolarHBondContact CE-OD1 3.26Å; K237-D260 IonicContact NZ-OD1 3.81Å; K237-D260 PolarHBondContact NZ-OD1 3.28Å; K237-D260 IonicContact NZ-OD2 3.73Å; K237-L261 HydrophobicContact CD-CB 4.1Å
238	C	94.3	Very high	92.3	Very high	22 Å²	22	54.5 Å²	54.5	15%	0.149	28%	0.277	C	S	.	.	H	α-helix	trans	-61.8	-42.9	172.3	-69	0	0	0	0	112.8	L228 F231 N234 F236 L241 N242	L228-C238 HydrophobicContact CD2-CB 4.14Å; F231-C238 PolarHBondContact O-SG 3.2Å; N234-C238 PolarHBondContact O-N 3.39Å; N234-C238 VanDerWaalsContact O-N 3.16Å; F236-C238 VanDerWaalsContact C-N 3.33Å; C238-L241 PolarHBondContact O-N 3.01Å; C238-N242 WeakPolarHBondContact O-CB 3.38Å; C238-N242 PolarHBondContact O-N 2.73Å; C238-N242 PolarHBondContact O-ND2 3.4Å
239	R	94	Very high	92.2	Very high	62 Å²	62	54.3 Å²	54.3	23%	0.234	28%	0.277	C	S	.	.	H	α-helix	trans	-59.2	-47.8	173.2	-75.5	179.3	-167.9	169.6	5.4	111.5	K235 F236 L241 N242 E243 W286 E293	K235-R239 WeakPolarHBondContact O-CG 3.34Å; K235-R239 PolarHBondContact O-N 2.76Å; F236-R239 PolarHBondContact O-N 2.99Å; R239-L241 VanDerWaalsContact C-N 3.33Å; R239-L241 PolarHBondContact O-N 2.97Å; R239-N242 PolarHBondContact O-N 2.88Å; R239-N242 VanDerWaalsContact O-N 3.15Å; R239-E243 WeakPolarHBondContact O-CB 3.38Å; R239-E243 WeakPolarHBondContact O-CG 3.41Å; R239-E243 PolarHBondContact O-N 2.76Å; R239-W286 HydrophobicContact CB-CZ2 4.43Å; R239-E293 IonicContact CZ-OE1 2.95Å; R239-E293 IonicContact CZ-OE2 3.86Å; R239-E293 IonicContact NH1-OE1 3.75Å; R239-E293 PolarHBondContact NH1-OE1 3.4Å; R239-E293 IonicContact NH1-OE2 2.73Å; R239-E293 PolarHBondContact NH1-OE2 2.98Å; R239-E293 IonicContact NH2-OE1 2.71Å; R239-E293 PolarHBondContact NH2-OE1 3.4Å; R239-E293 IonicContact NH2-OE2 2.66Å
240	I	92.2	Very high	92.1	Very high	18 Å²	18	50 Å²	50	9%	0.092	26%	0.258	C	S	.	.	H	α-helix	trans	-58	-45.6	177.2	-67.1	163.9	0	0	0	111.1	Y175 F236 K237 N242 K244 V245 L261 W286	Y175-I240 HydrophobicContact CD1-CD1 4.38Å; Y175-I240 HydrophobicContact CE1-CD1 3.73Å; Y175-I240 HydrophobicContact CE1-CG1 4.23Å; F236-I240 WeakPolarHBondContact O-CG1 3.44Å; F236-I240 PolarHBondContact O-N 2.92Å; K237-I240 HydrophobicContact CD-CD1 4.42Å; K237-I240 PolarHBondContact O-N 2.8Å; I240-N242 VanDerWaalsContact C-N 3.34Å; I240-N242 PolarHBondContact O-N 3.16Å; I240-K244 HydrophobicContact CG2-CB 4.36Å; I240-K244 WeakPolarHBondContact O-CA 3.2Å; I240-K244 WeakPolarHBondContact O-CB 2.93Å; I240-K244 PolarHBondContact O-N 3.09Å; I240-V245 PolarHBondContact O-N 3.18Å; I240-L261 HydrophobicContact CB-CD2 4.23Å; I240-L261 HydrophobicContact CG2-CD2 3.65Å; I240-W286 HydrophobicContact CD1-CH2 3.91Å; I240-W286 HydrophobicContact CG1-CH2 3.86Å; I240-W286 HydrophobicContact CG1-CZ2 4.26Å
241	L	93.3	Very high	92.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-59.4	-45.1	176.8	-74.6	166.3	0	0	0	111.3	K224 L227 L228 F231 K237 C238 R239 V245 T250 L261	K224-L241 WeakPolarHBondContact CE-O 3.35Å; K224-L241 PolarHBondContact NZ-O 3Å; L227-L241 HydrophobicContact CB-CD1 3.79Å; L227-L241 HydrophobicContact CB-CD2 4.08Å; L227-L241 HydrophobicContact CD1-CD2 4.03Å; L228-L241 HydrophobicContact CD2-CB 3.95Å; L228-L241 HydrophobicContact CD2-CD1 3.94Å; L228-L241 HydrophobicContact CG-CD1 4.2Å; F231-L241 HydrophobicContact CD2-CD1 4.37Å; K237-L241 WeakPolarHBondContact O-CG 3.24Å; K237-L241 PolarHBondContact O-N 2.88Å; C238-L241 PolarHBondContact O-N 3.01Å; R239-L241 VanDerWaalsContact C-N 3.33Å; R239-L241 PolarHBondContact O-N 2.97Å; L241-V245 HydrophobicContact CD2-CG2 4.18Å; L241-V245 WeakPolarHBondContact O-CB 3.4Å; L241-T250 HydrophobicContact CD2-CG2 3.89Å; L241-L261 HydrophobicContact CD2-CD1 3.84Å; L241-L261 HydrophobicContact CD2-CD2 3.91Å; L241-L261 HydrophobicContact CG-CD2 3.93Å
242	N	93.1	Very high	92.1	Very high	95 Å²	95	50.1 Å²	50.1	51%	0.508	26%	0.259	S	S	.	.	H	α-helix	trans	-71.4	-42.2	-176.9	-73	-30.1	0	0	0	113.1	C238 R239 I240	C238-N242 WeakPolarHBondContact O-CB 3.38Å; C238-N242 PolarHBondContact O-N 2.73Å; C238-N242 PolarHBondContact O-ND2 3.4Å; R239-N242 PolarHBondContact O-N 2.88Å; R239-N242 VanDerWaalsContact O-N 3.15Å; I240-N242 VanDerWaalsContact C-N 3.34Å; I240-N242 PolarHBondContact O-N 3.16Å
243	E	90.9	Very high	92.2	Very high	115 Å²	115	44.5 Å²	44.5	54%	0.537	24%	0.235	S	C	.	.	H	α-helix	trans	-91.8	-35.9	-170.7	-65.3	169.6	-166.5	0	0	113.4	R239	R239-E243 WeakPolarHBondContact O-CB 3.38Å; R239-E243 WeakPolarHBondContact O-CG 3.41Å; R239-E243 PolarHBondContact O-N 2.76Å
244	K	87.3	Confident	92.5	Very high	91 Å²	91	45.1 Å²	45.1	40%	0.396	24%	0.237	S	C	.	.	H	α-helix	trans	-110.4	-19.1	-168.9	-57.5	-171.1	179.1	-178.6	0	114	Y175 I240 E287	Y175-K244 PolarHBondContact OH-NZ 2.93Å; I240-K244 HydrophobicContact CG2-CB 4.36Å; I240-K244 WeakPolarHBondContact O-CA 3.2Å; I240-K244 WeakPolarHBondContact O-CB 2.93Å; I240-K244 PolarHBondContact O-N 3.09Å; K244-E287 WeakPolarHBondContact CE-OE1 3.37Å; K244-E287 IonicContact NZ-OE1 2.81Å; K244-E287 PolarHBondContact NZ-OE1 2.79Å
245	V	89.3	Confident	92.5	Very high	9 Å²	9	45 Å²	45	6%	0.055	24%	0.237	C	C	.	.			trans	-96.1	102.3	176.7	-177.1	0	0	0	0	109.4	K224 I240 L241 T250	K224-V245 PolarHBondContact NZ-O 2.92Å; I240-V245 PolarHBondContact O-N 3.18Å; L241-V245 HydrophobicContact CD2-CG2 4.18Å; L241-V245 WeakPolarHBondContact O-CB 3.4Å; V245-T250 HydrophobicContact CG1-CG2 4.05Å; V245-T250 HydrophobicContact CG2-CG2 4.31Å
246	T	89.4	Confident	92.5	Very high	138 Å²	138	42.2 Å²	42.2	85%	0.847	23%	0.229	S	C	*	.			trans	-90.9	-9.8	178.2	54.7	0	0	0	0	113.3
247	T	89.3	Confident	92.5	Very high	70 Å²	70	43.3 Å²	43.3	43%	0.429	24%	0.236	S	C	.	.	S	Bend	trans	-92.4	153.8	179.6	49.8	0	0	0	0	111.9	T249	T247-T249 VanDerWaalsContact C-N 3.25Å; T247-T249 WeakPolarHBondContact CB-O 3.18Å; T247-T249 PolarHBondContact O-N 3.44Å; T247-T249 PolarHBondContact OG1-O 2.98Å
248	P	90.1	Very high	92.6	Very high	102 Å²	102	43 Å²	43	66%	0.662	24%	0.235	S	C	*	.	S	Bend	trans	-63.7	-30.3	176.5	-22.5	33.7	0	0	0	113.7	K224	K224-P248 PolarHBondContact N-O 3.45Å
249	T	91.5	Very high	92.6	Very high	44 Å²	44	42 Å²	42	27%	0.27	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	153.7	177.7	53.1	0	0	0	0	110.6	E221 I222 K223 T247	E221-T249 HydrophobicContact CG-CG2 4.49Å; E221-T249 WeakPolarHBondContact OE1-CB 3.49Å; E221-T249 PolarHBondContact OE1-OG1 3.11Å; I222-T249 VanDerWaalsContact O-CA 3.29Å; I222-T249 WeakPolarHBondContact O-CA 3.43Å; K223-T249 HydrophobicContact CG-CG2 4.2Å; T247-T249 VanDerWaalsContact C-N 3.25Å; T247-T249 WeakPolarHBondContact CB-O 3.18Å; T247-T249 PolarHBondContact O-N 3.44Å; T247-T249 PolarHBondContact OG1-O 2.98Å
250	T	93	Very high	92.6	Very high	14 Å²	14	39.4 Å²	39.4	9%	0.086	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	171.9	168.3	-173.8	0	0	0	0	109.4	I222 L227 L241 V245 L261	I222-T250 PolarHBondContact N-O 2.98Å; I222-T250 PolarHBondContact O-N 3.43Å; L227-T250 HydrophobicContact CD1-CG2 3.22Å; L241-T250 HydrophobicContact CD2-CG2 3.89Å; V245-T250 HydrophobicContact CG1-CG2 4.05Å; V245-T250 HydrophobicContact CG2-CG2 4.31Å; T250-L261 HydrophobicContact CG2-CD1 3.66Å
251	T	93.1	Very high	92.6	Very high	13 Å²	13	39.7 Å²	39.7	8%	0.08	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	145.1	-172.6	33.8	0	0	0	0	112.2	L220 E221 C262 R263	L220-T251 CarbonylContact O-C 3.47Å; L220-T251 VanDerWaalsContact O-CA 3.26Å; L220-T251 WeakPolarHBondContact O-CA 3.39Å; E221-T251 HydrophobicContact CB-CG2 4.38Å; T251-C262 CarbonylContact C-O 3.58Å; T251-C262 WeakPolarHBondContact CB-O 3.12Å; T251-C262 PolarHBondContact O-N 3.05Å; T251-C262 VanDerWaalsContact O-O 3.09Å; T251-C262 PolarHBondContact OG1-O 2.92Å; T251-C262 VanDerWaalsContact OG1-O 3.13Å; T251-R263 WeakPolarHBondContact OG1-CA 3.43Å
252	V	94.8	Very high	92.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	152.1	168.6	-62.6	0	0	0	0	109.7	Y61 L220 I222 L227 F231 I259 D260 L261	Y61-V252 HydrophobicContact CE2-CG2 4.2Å; L220-V252 HydrophobicContact CB-CG2 4.01Å; L220-V252 PolarHBondContact N-O 2.98Å; L220-V252 PolarHBondContact O-N 2.82Å; I222-V252 HydrophobicContact CD1-CG2 3.36Å; I222-V252 HydrophobicContact CG1-CG2 4.11Å; L227-V252 HydrophobicContact CD1-CG1 4.25Å; L227-V252 HydrophobicContact CD2-CG1 3.37Å; L227-V252 HydrophobicContact CG-CG1 4.46Å; F231-V252 HydrophobicContact CE2-CG1 4.27Å; V252-I259 HydrophobicContact CB-CG2 4.36Å; V252-D260 VanDerWaalsContact CA-O 3.27Å; V252-D260 WeakPolarHBondContact CA-O 3.23Å; V252-D260 WeakPolarHBondContact CB-O 3.25Å; V252-L261 HydrophobicContact CG1-CD1 4.27Å
253	Y	95.8	Very high	92.4	Very high	1 Å²	1	44.5 Å²	44.5	0%	0.004	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	132.2	172.1	-75.2	-100.6	0	0	0	109.9	D128 F217 E218 R219 I259 D260 C262 H266	D128-Y253 PolarHBondContact OD1-OH 3.44Å; D128-Y253 PolarHBondContact OD2-OH 3.4Å; D128-Y253 VanDerWaalsContact OD2-OH 3.05Å; F217-Y253 HydrophobicContact CB-CD1 4.49Å; E218-Y253 WeakPolarHBondContact O-CA 3.4Å; R219-Y253 HydrophobicContact CB-CD1 4.04Å; R219-Y253 HydrophobicContact CB-CE1 3.52Å; R219-Y253 VanDerWaalsContact CD-OH 3.28Å; R219-Y253 WeakPolarHBondContact CD-OH 3.44Å; R219-Y253 HydrophobicContact CG-CE1 3.87Å; R219-Y253 HydrophobicContact CG-CE2 4.05Å; Y253-I259 WeakPolarHBondContact O-CA 3.29Å; Y253-D260 PolarHBondContact N-O 3.25Å; Y253-D260 PolarHBondContact O-N 2.64Å; Y253-C262 HydrophobicContact CD2-CB 3.95Å; Y253-C262 WeakPolarHBondContact CD2-O 3.46Å; Y253-C262 WeakPolarHBondContact CE2-O 3.22Å; Y253-H266 HydrophobicContact CD1-CB 4.35Å; Y253-H266 AromaticContact CD1-CD2 3.36Å; Y253-H266 WeakPolarHBondContact CD1-CD2 3.44Å; Y253-H266 AromaticContact CD2-CD2 3.77Å; Y253-H266 HydrophobicContact CE1-CB 4.33Å; Y253-H266 AromaticContact CE1-CD2 3.62Å; Y253-H266 AromaticContact CG-CD2 3.42Å; Y253-H266 VanDerWaalsContact CG-CD2 3.42Å; Y253-H266 AromaticContact CG-NE2 3.91Å; Y253-H266 AromaticContact CZ-CD2 3.94Å
254	R	95.8	Very high	92.2	Very high	70 Å²	70	40.2 Å²	40.2	26%	0.264	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	136	166.9	176.9	-179.2	169.9	-118.4	1.9	109.8	Y61 F217 E218 G256 L258 I259	Y61-R254 HydrophobicContact CD1-CB 4.39Å; Y61-R254 HydrophobicContact CD1-CG 4.48Å; Y61-R254 HydrophobicContact CD2-CB 4.23Å; Y61-R254 HydrophobicContact CE1-CB 3.79Å; Y61-R254 HydrophobicContact CE1-CG 4.17Å; Y61-R254 HydrophobicContact CE2-CB 3.58Å; Y61-R254 WeakPolarHBondContact OH-CB 3.43Å; F217-R254 WeakPolarHBondContact CA-O 3.23Å; E218-R254 HydrophobicContact CB-CB 4.34Å; E218-R254 PolarHBondContact N-O 3.28Å; E218-R254 PolarHBondContact O-N 2.96Å; E218-R254 IonicContact OE1-NH1 3.46Å; E218-R254 IonicContact OE2-CZ 2.76Å; E218-R254 IonicContact OE2-NH1 3.69Å; E218-R254 PolarHBondContact OE2-NH1 3.36Å; R254-G256 WeakPolarHBondContact CG-O 3.42Å; R254-G256 PolarHBondContact NE-O 3.47Å; R254-G256 PolarHBondContact NH2-O 2.81Å; R254-L258 CarbonylContact C-O 3.56Å; R254-L258 VanDerWaalsContact CA-O 3.27Å; R254-L258 WeakPolarHBondContact CA-O 3.41Å; R254-I259 HydrophobicContact CB-CG1 4.23Å; R254-I259 HydrophobicContact CG-CG1 4.16Å
255	C	95.3	Very high	92.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	102.7	170	179.8	0	0	0	0	107.3	Q215 F217 L258 T270	Q215-C255 VanDerWaalsContact OE1-C 3.31Å; Q215-C255 PolarHBondContact OE1-O 2.99Å; Q215-C255 PolarHBondContact OE1-SG 2.89Å; Q215-C255 VanDerWaalsContact OE1-SG 3.37Å; F217-C255 HydrophobicContact CD1-CB 3.91Å; F217-C255 HydrophobicContact CE1-CB 3.74Å; F217-C255 HydrophobicContact CZ-CB 4.27Å; C255-L258 PolarHBondContact N-O 3.35Å; C255-L258 WeakPolarHBondContact O-CB 3.44Å; C255-L258 PolarHBondContact O-N 3.34Å; C255-T270 WeakPolarHBondContact SG-CG2 3.21Å
256	G	93.2	Very high	92.9	Very high	16 Å²	16	36 Å²	36	17%	0.165	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	-123	-172.6	0	0	0	0	0	112	Q215 R254	Q215-G256 VanDerWaalsContact OE1-CA 3.24Å; R254-G256 WeakPolarHBondContact CG-O 3.42Å; R254-G256 PolarHBondContact NE-O 3.47Å; R254-G256 PolarHBondContact NH2-O 2.81Å
257	P	93.4	Very high	93.3	Very high	22 Å²	22	29.4 Å²	29.4	14%	0.143	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-15.1	175.2	32.9	-33.1	0	0	0	114.2	I54 R57 L58 E163 R167	I54-P257 HydrophobicContact CG2-CB 3.82Å; R57-P257 PolarHBondContact NE-O 2.87Å; R57-P257 PolarHBondContact NH2-O 3.08Å; L58-P257 HydrophobicContact CD1-CB 4.11Å; E163-P257 HydrophobicContact CG-CG 4.02Å; E163-P257 WeakPolarHBondContact OE1-CD 3.39Å; E163-P257 WeakPolarHBondContact OE1-CG 3.49Å; R167-P257 VanDerWaalsContact NH2-CG 3.27Å
258	L	95.5	Very high	93.5	Very high	1 Å²	1	29 Å²	29	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	133.2	177.4	177.6	69	0	0	0	109.9	H159 E163 E166 L173 R254 C255 D260	H159-L258 HydrophobicContact CB-CD2 3.91Å; H159-L258 WeakPolarHBondContact O-CD2 3.45Å; E163-L258 HydrophobicContact CB-CB 3.93Å; E163-L258 HydrophobicContact CB-CD2 4.24Å; E163-L258 HydrophobicContact CG-CB 4.22Å; E166-L258 WeakPolarHBondContact OE2-CD1 3.46Å; L173-L258 HydrophobicContact CD1-CD1 3.68Å; R254-L258 CarbonylContact C-O 3.56Å; R254-L258 VanDerWaalsContact CA-O 3.27Å; R254-L258 WeakPolarHBondContact CA-O 3.41Å; C255-L258 PolarHBondContact N-O 3.35Å; C255-L258 WeakPolarHBondContact O-CB 3.44Å; C255-L258 PolarHBondContact O-N 3.34Å; L258-D260 HydrophobicContact CG-CB 4.43Å
259	I	95.2	Very high	93.8	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.01	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	123.9	166.1	-55.3	175.1	0	0	0	106.9	R57 L58 Y61 M230 F231 V252 Y253 R254	R57-I259 HydrophobicContact CB-CD1 4.09Å; R57-I259 HydrophobicContact CG-CD1 3.83Å; R57-I259 HydrophobicContact CG-CG1 4.46Å; R57-I259 WeakPolarHBondContact O-CD1 3.42Å; L58-I259 HydrophobicContact CD2-CD1 4.26Å; L58-I259 HydrophobicContact CD2-CG1 4.48Å; Y61-I259 VanDerWaalsContact CB-CD1 3.44Å; Y61-I259 HydrophobicContact CD2-CD1 3.75Å; Y61-I259 HydrophobicContact CD2-CG1 4.23Å; Y61-I259 HydrophobicContact CD2-CG2 4.12Å; Y61-I259 HydrophobicContact CG-CD1 3.77Å; M230-I259 HydrophobicContact SD-CD1 4.46Å; M230-I259 HydrophobicContact SD-CG2 3.85Å; F231-I259 WeakPolarHBondContact CE1-O 3.34Å; F231-I259 HydrophobicContact CZ-CG2 4.26Å; V252-I259 HydrophobicContact CB-CG2 4.36Å; Y253-I259 WeakPolarHBondContact O-CA 3.29Å; R254-I259 HydrophobicContact CB-CG1 4.23Å; R254-I259 HydrophobicContact CG-CG1 4.16Å
260	D	93.8	Very high	94.1	Very high	6 Å²	6	24.3 Å²	24.3	3%	0.032	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	144.1	-173.9	-162.4	14.9	0	0	0	112.5	H159 Y185 K237 V252 Y253 L258 C262	H159-D260 IonicContact CD2-OD2 2.93Å; H159-D260 IonicContact CE1-OD2 3.63Å; H159-D260 IonicContact NE2-OD2 2.65Å; H159-D260 PolarHBondContact NE2-OD2 3.25Å; Y185-D260 VanDerWaalsContact OH-CG 3.29Å; Y185-D260 PolarHBondContact OH-OD2 3.39Å; K237-D260 WeakPolarHBondContact CE-OD1 3.26Å; K237-D260 IonicContact NZ-OD1 3.81Å; K237-D260 PolarHBondContact NZ-OD1 3.28Å; K237-D260 IonicContact NZ-OD2 3.73Å; V252-D260 VanDerWaalsContact CA-O 3.27Å; V252-D260 WeakPolarHBondContact CA-O 3.23Å; V252-D260 WeakPolarHBondContact CB-O 3.25Å; Y253-D260 PolarHBondContact N-O 3.25Å; Y253-D260 PolarHBondContact O-N 2.64Å; L258-D260 HydrophobicContact CG-CB 4.43Å; D260-C262 PolarHBondContact O-N 3.34Å
261	L	92.4	Very high	94.2	Very high	24 Å²	24	23.8 Å²	23.8	13%	0.126	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	103.8	174.8	-178.1	70.1	0	0	0	108.7	L227 F231 K237 I240 L241 T250 V252	L227-L261 HydrophobicContact CD1-CD1 4.3Å; F231-L261 HydrophobicContact CE2-CB 4.36Å; K237-L261 HydrophobicContact CD-CB 4.1Å; I240-L261 HydrophobicContact CB-CD2 4.23Å; I240-L261 HydrophobicContact CG2-CD2 3.65Å; L241-L261 HydrophobicContact CD2-CD1 3.84Å; L241-L261 HydrophobicContact CD2-CD2 3.91Å; L241-L261 HydrophobicContact CG-CD2 3.93Å; T250-L261 HydrophobicContact CG2-CD1 3.66Å; V252-L261 HydrophobicContact CG1-CD1 4.27Å
262	C	91	Very high	94.3	Very high	13 Å²	13	24.6 Å²	24.6	9%	0.088	12%	0.118	C	C	.	.			trans	-151.9	137.8	-170.8	176.4	0	0	0	0	111	H155 T251 Y253 D260 G264 H266	H155-C262 PolarHBondContact NE2-SG 3.26Å; T251-C262 CarbonylContact C-O 3.58Å; T251-C262 WeakPolarHBondContact CB-O 3.12Å; T251-C262 PolarHBondContact O-N 3.05Å; T251-C262 VanDerWaalsContact O-O 3.09Å; T251-C262 PolarHBondContact OG1-O 2.92Å; T251-C262 VanDerWaalsContact OG1-O 3.13Å; Y253-C262 HydrophobicContact CD2-CB 3.95Å; Y253-C262 WeakPolarHBondContact CD2-O 3.46Å; Y253-C262 WeakPolarHBondContact CE2-O 3.22Å; D260-C262 PolarHBondContact O-N 3.34Å; C262-G264 VanDerWaalsContact C-N 3.33Å; C262-G264 PolarHBondContact SG-N 2.81Å; C262-H266 PolarHBondContact SG-NE2 3.19Å
263	R	89.9	Confident	94.4	Very high	183 Å²	183	24.6 Å²	24.6	69%	0.691	12%	0.118	S	C	*	.			trans	-76.8	-22.8	174.3	-65.8	-175.9	179.6	-176.1	0.4	113.2	T251	T251-R263 WeakPolarHBondContact OG1-CA 3.43Å
264	G	87.4	Confident	94.4	Very high	25 Å²	25	30.3 Å²	30.3	26%	0.258	14%	0.142	S	C	.	.			trans	65.3	-158.6	-174	0	0	0	0	0	112.1	C262	C262-G264 VanDerWaalsContact C-N 3.33Å; C262-G264 PolarHBondContact SG-N 2.81Å
265	P	94.8	Very high	94.3	Very high	10 Å²	10	27.3 Å²	27.3	7%	0.065	13%	0.133	C	C	.	.			cis	-78.6	177.8	2.7	35.8	-39.2	0	0	0	113.2	I119 V126 D128 V152	I119-P265 HydrophobicContact CD1-CB 3.73Å; I119-P265 HydrophobicContact CD1-CG 3.77Å; I119-P265 HydrophobicContact CG1-CB 4.31Å; I119-P265 HydrophobicContact CG1-CG 3.79Å; V126-P265 HydrophobicContact CB-CG 3.93Å; V126-P265 HydrophobicContact CG2-CG 3.92Å; D128-P265 HydrophobicContact CB-CB 4.38Å; D128-P265 VanDerWaalsContact CG-CB 3.45Å; D128-P265 VanDerWaalsContact OD1-CA 3.31Å; D128-P265 WeakPolarHBondContact OD1-CA 3.48Å; D128-P265 WeakPolarHBondContact OD1-CB 3.09Å; V152-P265 HydrophobicContact CG1-CG 4.33Å; V152-P265 WeakPolarHBondContact CG1-O 3.35Å; V152-P265 HydrophobicContact CG2-CG 3.86Å
266	H	96.7	Very high	94.4	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.009	14%	0.137	C	C	.	.			trans	-127.7	163.7	175.9	-76.1	-79.7	0	0	0	112.9	D128 H155 S156 H159 F217 Y253 C262	D128-H266 PolarHBondContact OD1-N 2.98Å; H155-H266 AromaticContact CD2-CE1 3.32Å; H155-H266 PolarHBondContact CD2-CE1 3.38Å; H155-H266 AromaticContact CD2-ND1 3.99Å; H155-H266 AromaticContact CD2-NE2 3.73Å; H155-H266 AromaticContact NE2-CE1 3.43Å; H155-H266 PolarHBondContact NE2-CE1 2.91Å; H155-H266 AromaticContact NE2-NE2 3.52Å; S156-H266 WeakPolarHBondContact CA-ND1 3.18Å; S156-H266 WeakPolarHBondContact OG-CA 3.15Å; S156-H266 PolarHBondContact OG-ND1 2.62Å; S156-H266 VanDerWaalsContact OG-ND1 3.09Å; H159-H266 AromaticContact CD2-CE1 3.51Å; H159-H266 AromaticContact CE1-CE1 3.32Å; H159-H266 PolarHBondContact CE1-CE1 2.96Å; H159-H266 AromaticContact CE1-NE2 3.2Å; H159-H266 PolarHBondContact CE1-NE2 3.36Å; H159-H266 AromaticContact CG-CE1 3.67Å; H159-H266 AromaticContact ND1-CE1 3.55Å; H159-H266 AromaticContact ND1-NE2 3.73Å; H159-H266 AromaticContact NE2-CE1 3.29Å; H159-H266 PolarHBondContact NE2-CE1 3.39Å; H159-H266 VanDerWaalsContact NE2-CE1 3.29Å; H159-H266 AromaticContact NE2-NE2 3.48Å; H159-H266 PolarHBondContact NE2-NE2 3.08Å; F217-H266 HydrophobicContact CB-CB 3.83Å; F217-H266 HydrophobicContact CD1-CB 3.69Å; F217-H266 AromaticContact CD1-CG 3.64Å; F217-H266 AromaticContact CD1-ND1 3.84Å; F217-H266 HydrophobicContact CD2-CB 4.34Å; F217-H266 HydrophobicContact CE1-CB 4.32Å; F217-H266 AromaticContact CE1-ND1 3.73Å; F217-H266 HydrophobicContact CG-CB 3.7Å; Y253-H266 HydrophobicContact CD1-CB 4.35Å; Y253-H266 AromaticContact CD1-CD2 3.36Å; Y253-H266 WeakPolarHBondContact CD1-CD2 3.44Å; Y253-H266 AromaticContact CD2-CD2 3.77Å; Y253-H266 HydrophobicContact CE1-CB 4.33Å; Y253-H266 AromaticContact CE1-CD2 3.62Å; Y253-H266 AromaticContact CG-CD2 3.42Å; Y253-H266 VanDerWaalsContact CG-CD2 3.42Å; Y253-H266 AromaticContact CG-NE2 3.91Å; Y253-H266 AromaticContact CZ-CD2 3.94Å; C262-H266 PolarHBondContact SG-NE2 3.19Å
267	V	96.3	Very high	94.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.142	C	C	.	.			trans	-64.1	155.3	166.6	-56.6	0	0	0	0	110	V118 Y153 S156 F217 H269 K272	V118-V267 HydrophobicContact CG1-CG1 3.9Å; Y153-V267 HydrophobicContact CD2-CG1 4.2Å; S156-V267 PolarHBondContact OG-N 3.41Å; F217-V267 WeakPolarHBondContact CB-O 3.2Å; F217-V267 HydrophobicContact CD2-CG2 4.07Å; F217-V267 WeakPolarHBondContact CD2-O 3.48Å; F217-V267 HydrophobicContact CE2-CG2 3.74Å; F217-V267 WeakPolarHBondContact CG-O 3.17Å; V267-H269 VanDerWaalsContact C-N 3.32Å; V267-H269 PolarHBondContact O-N 2.94Å; V267-K272 HydrophobicContact CB-CB 4.22Å; V267-K272 HydrophobicContact CB-CG 4.39Å; V267-K272 HydrophobicContact CG2-CB 4.17Å
268	R	95.1	Very high	94.6	Very high	61 Å²	61	29.3 Å²	29.3	23%	0.23	14%	0.136	C	C	.	.	S	Bend	trans	-55.4	-42.9	-175.6	-60.5	-172	66.2	-141.7	2.5	114.4	Y103 L129 D130 P216 F217	Y103-R268 PolarHBondContact OH-NH1 3.35Å; L129-R268 HydrophobicContact CB-CG 3.84Å; L129-R268 HydrophobicContact CD1-CG 3.95Å; L129-R268 HydrophobicContact CG-CG 4.49Å; D130-R268 IonicContact OD1-CZ 2.97Å; D130-R268 VanDerWaalsContact OD1-CZ 3.24Å; D130-R268 IonicContact OD1-NE 3.12Å; D130-R268 PolarHBondContact OD1-NE 3.39Å; D130-R268 IonicContact OD1-NH2 2.73Å; D130-R268 PolarHBondContact OD1-NH2 3.22Å; D130-R268 VanDerWaalsContact OD2-CG 3.27Å; D130-R268 WeakPolarHBondContact OD2-CG 3.37Å; D130-R268 IonicContact OD2-CZ 3.23Å; D130-R268 IonicContact OD2-NE 3.24Å; D130-R268 PolarHBondContact OD2-NE 3.44Å; D130-R268 IonicContact OD2-NH2 2.88Å; P216-R268 WeakPolarHBondContact CA-O 3.36Å; F217-R268 PolarHBondContact N-O 2.93Å
269	H	96.5	Very high	94.4	Very high	47 Å²	47	32.9 Å²	32.9	22%	0.218	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-155.9	157.7	-178.9	64.3	73.7	0	0	0	111.7	Q215 V267 G271 K272	Q215-H269 CarbonylContact O-C 3.33Å; Q215-H269 WeakPolarHBondContact O-CA 3.35Å; Q215-H269 VanDerWaalsContact O-CB 3.3Å; Q215-H269 WeakPolarHBondContact O-CB 3.44Å; V267-H269 VanDerWaalsContact C-N 3.32Å; V267-H269 PolarHBondContact O-N 2.94Å; H269-G271 VanDerWaalsContact CE1-C 3.5Å; H269-G271 VanDerWaalsContact ND1-CA 3.34Å; H269-G271 WeakPolarHBondContact ND1-CA 3.49Å; H269-G271 PolarHBondContact ND1-N 3.5Å; H269-G271 VanDerWaalsContact ND1-N 3.12Å; H269-G271 PolarHBondContact O-N 3.24Å; H269-G271 VanDerWaalsContact O-N 3.12Å; H269-K272 PolarHBondContact CE1-N 3.27Å; H269-K272 PolarHBondContact ND1-N 3.08Å; H269-K272 WeakPolarHBondContact O-CB 3.46Å; H269-K272 WeakPolarHBondContact O-CG 3.29Å; H269-K272 PolarHBondContact O-N 3.07Å
270	T	97.4	Very high	94.1	Very high	0 Å²	0	38 Å²	38	0%	0	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-56.4	-33.5	-176.9	59.6	0	0	0	0	113.6	I160 I210 K214 Q215 F217 C255 K272 I273	I160-T270 HydrophobicContact CD1-CG2 3.95Å; I160-T270 HydrophobicContact CG1-CG2 3.78Å; I210-T270 HydrophobicContact CG2-CG2 3.91Å; I210-T270 PolarHBondContact O-OG1 3.01Å; K214-T270 WeakPolarHBondContact CA-OG1 3.47Å; Q215-T270 HydrophobicContact CB-CG2 3.95Å; Q215-T270 PolarHBondContact N-OG1 2.99Å; Q215-T270 PolarHBondContact O-N 3.41Å; F217-T270 HydrophobicContact CE2-CG2 3.96Å; F217-T270 HydrophobicContact CZ-CG2 4.21Å; C255-T270 WeakPolarHBondContact SG-CG2 3.21Å; T270-K272 PolarHBondContact O-N 3.16Å; T270-I273 WeakPolarHBondContact O-CB 3.31Å; T270-I273 WeakPolarHBondContact O-CG1 3.3Å; T270-I273 PolarHBondContact O-N 3.46Å
271	G	95.8	Very high	94.1	Very high	3 Å²	3	40 Å²	40	3%	0.031	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-64.6	-5.7	176.3	0	0	0	0	0	116.3	I211 H269 K274	I211-G271 VanDerWaalsContact O-CA 3.32Å; I211-G271 WeakPolarHBondContact O-CA 3.37Å; I211-G271 PolarHBondContact O-N 3.45Å; H269-G271 VanDerWaalsContact CE1-C 3.5Å; H269-G271 VanDerWaalsContact ND1-CA 3.34Å; H269-G271 WeakPolarHBondContact ND1-CA 3.49Å; H269-G271 PolarHBondContact ND1-N 3.5Å; H269-G271 VanDerWaalsContact ND1-N 3.12Å; H269-G271 PolarHBondContact O-N 3.24Å; H269-G271 VanDerWaalsContact O-N 3.12Å; G271-K274 WeakPolarHBondContact O-CE 3.49Å; G271-K274 PolarHBondContact O-NZ 2.86Å
272	K	95.3	Very high	94	Very high	30 Å²	30	40.5 Å²	40.5	13%	0.13	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-69.6	-26.9	166.7	-67.3	-75.5	-81.5	-166	0	110.8	D115 T117 V267 H269 T270	D115-K272 PolarHBondContact O-NZ 2.98Å; T117-K272 WeakPolarHBondContact O-CE 3.2Å; T117-K272 PolarHBondContact O-NZ 2.76Å; V267-K272 HydrophobicContact CB-CB 4.22Å; V267-K272 HydrophobicContact CB-CG 4.39Å; V267-K272 HydrophobicContact CG2-CB 4.17Å; H269-K272 PolarHBondContact CE1-N 3.27Å; H269-K272 PolarHBondContact ND1-N 3.08Å; H269-K272 WeakPolarHBondContact O-CB 3.46Å; H269-K272 WeakPolarHBondContact O-CG 3.29Å; H269-K272 PolarHBondContact O-N 3.07Å; T270-K272 PolarHBondContact O-N 3.16Å
273	I	96.4	Very high	93.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.213	C	C	.	.			trans	-76.9	120.5	172.4	-45.5	-52.6	0	0	0	109.1	Y153 S157 I160 I211 T270 L276	Y153-I273 HydrophobicContact CD1-CD1 3.93Å; Y153-I273 HydrophobicContact CD2-CD1 3.82Å; Y153-I273 HydrophobicContact CE1-CD1 3.58Å; Y153-I273 HydrophobicContact CE1-CG2 4.47Å; Y153-I273 HydrophobicContact CE2-CD1 3.44Å; Y153-I273 VanDerWaalsContact CE2-CD1 3.44Å; Y153-I273 HydrophobicContact CG-CD1 4.05Å; Y153-I273 VanDerWaalsContact OH-CA 3.29Å; Y153-I273 WeakPolarHBondContact OH-CA 3.12Å; S157-I273 WeakPolarHBondContact OG-CD1 3.25Å; I160-I273 HydrophobicContact CD1-CB 4.15Å; I160-I273 HydrophobicContact CD1-CG1 3.62Å; I211-I273 HydrophobicContact CD1-CB 4.17Å; I211-I273 HydrophobicContact CD1-CG2 4Å; I211-I273 HydrophobicContact CG1-CB 4.26Å; I211-I273 WeakPolarHBondContact CG2-O 3.35Å; T270-I273 WeakPolarHBondContact O-CB 3.31Å; T270-I273 WeakPolarHBondContact O-CG1 3.3Å; T270-I273 PolarHBondContact O-N 3.46Å; I273-L276 HydrophobicContact CG2-CB 4.45Å
274	K	94.4	Very high	93.8	Very high	121 Å²	121	36.6 Å²	36.6	53%	0.526	19%	0.19	S	C	.	.			trans	-104.1	-37	-176.7	-60.3	-51.4	-172.4	-175.2	0	113.7	G271 F303 P304	G271-K274 WeakPolarHBondContact O-CE 3.49Å; G271-K274 PolarHBondContact O-NZ 2.86Å; K274-F303 PolarHBondContact N-O 3.5Å; K274-P304 VanDerWaalsContact CB-O 3.3Å; K274-P304 WeakPolarHBondContact CB-O 3.32Å; K274-P304 WeakPolarHBondContact CG-O 3.47Å
275	A	95.1	Very high	93.8	Very high	8 Å²	8	40.3 Å²	40.3	7%	0.066	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	134.5	178.2	0	0	0	0	0	109.2	S302 F303 P306 L309	A275-S302 CarbonylContact O-C 3.59Å; A275-S302 WeakPolarHBondContact O-CA 3.31Å; A275-S302 WeakPolarHBondContact O-CB 3.25Å; A275-F303 PolarHBondContact N-O 2.92Å; A275-F303 PolarHBondContact O-N 3.21Å; A275-P306 HydrophobicContact CB-CB 4.41Å; A275-P306 HydrophobicContact CB-CG 4.4Å; A275-L309 HydrophobicContact CB-CB 3.87Å; A275-L309 HydrophobicContact CB-CD2 3.82Å; A275-L309 HydrophobicContact CB-CG 4.46Å
276	L	96.1	Very high	93.5	Very high	17 Å²	17	40 Å²	40	9%	0.089	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	136.2	179.2	-177.4	152.6	0	0	0	108.5	I160 F183 C207 I211 I273 I278 I301	I160-L276 HydrophobicContact CG2-CD1 4.47Å; F183-L276 HydrophobicContact CZ-CD1 4Å; F183-L276 HydrophobicContact CZ-CG 4.34Å; C207-L276 HydrophobicContact CB-CD1 4.47Å; C207-L276 HydrophobicContact CB-CD2 4.07Å; I211-L276 HydrophobicContact CD1-CB 4.26Å; I273-L276 HydrophobicContact CG2-CB 4.45Å; L276-I278 HydrophobicContact CD2-CG1 4.32Å; L276-I301 CarbonylContact C-O 3.55Å; L276-I301 WeakPolarHBondContact CA-O 3.48Å
277	K	96	Very high	92.8	Very high	61 Å²	61	43.8 Å²	43.8	27%	0.265	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	132.7	178.7	-174.7	75.8	-162.9	144.8	0	110.1	E204 G300 I301 L309 W312	E204-K277 VanDerWaalsContact CD-NZ 3.3Å; E204-K277 VanDerWaalsContact OE1-CD 3.27Å; E204-K277 WeakPolarHBondContact OE1-CD 2.97Å; E204-K277 VanDerWaalsContact OE1-CE 3.28Å; E204-K277 WeakPolarHBondContact OE1-CE 3.5Å; E204-K277 IonicContact OE1-NZ 3.69Å; E204-K277 PolarHBondContact OE1-NZ 2.84Å; E204-K277 IonicContact OE2-NZ 3.58Å; E204-K277 PolarHBondContact OE2-NZ 3.32Å; K277-G300 VanDerWaalsContact O-CA 3.25Å; K277-G300 WeakPolarHBondContact O-CA 3.31Å; K277-I301 HydrophobicContact CB-CG2 3.89Å; K277-I301 PolarHBondContact N-O 3.3Å; K277-I301 PolarHBondContact O-N 3.01Å; K277-L309 HydrophobicContact CB-CD1 3.78Å; K277-L309 HydrophobicContact CB-CD2 4.24Å; K277-W312 HydrophobicContact CG-CZ3 4.39Å
278	I	96.1	Very high	92	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.01	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	128.3	168.5	-60	174	0	0	0	107	L161 F200 L203 E204 L276 I298	L161-I278 HydrophobicContact CD1-CD1 3.72Å; L161-I278 HydrophobicContact CD1-CG1 4.36Å; F200-I278 HydrophobicContact CB-CB 4.48Å; F200-I278 HydrophobicContact CB-CG2 4.4Å; F200-I278 HydrophobicContact CD1-CG2 3.65Å; F200-I278 HydrophobicContact CD2-CG2 3.95Å; F200-I278 HydrophobicContact CE1-CG2 3.81Å; F200-I278 HydrophobicContact CE2-CG2 4.09Å; F200-I278 HydrophobicContact CG-CB 4.29Å; F200-I278 HydrophobicContact CG-CG2 3.74Å; F200-I278 HydrophobicContact CZ-CG2 4.03Å; L203-I278 HydrophobicContact CB-CD1 3.42Å; L203-I278 VanDerWaalsContact CB-CD1 3.42Å; L203-I278 HydrophobicContact CD1-CD1 4.07Å; L203-I278 HydrophobicContact CG-CD1 4.39Å; E204-I278 HydrophobicContact CG-CB 4.17Å; E204-I278 HydrophobicContact CG-CD1 3.99Å; E204-I278 HydrophobicContact CG-CG1 3.96Å; E204-I278 PolarHBondContact OE1-N 2.99Å; L276-I278 HydrophobicContact CD2-CG1 4.32Å; I278-I298 HydrophobicContact CG2-CG2 3.54Å
279	H	89.9	Confident	91.1	Very high	76 Å²	76	48.7 Å²	48.7	35%	0.352	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	-12.5	-169	69.3	83.7	0	0	0	114.9	Y299 W312	H279-Y299 PolarHBondContact N-O 2.93Å; H279-W312 HydrophobicContact CB-CH2 3.83Å; H279-W312 AromaticContact CD2-CH2 3.95Å; H279-W312 AromaticContact CG-CH2 3.83Å
280	K	90.6	Very high	90.3	Very high	108 Å²	108	50 Å²	50	47%	0.47	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	147.6	-179.4	-180	-178.7	178.4	-174.1	0	110.4	Y299	K280-Y299 HydrophobicContact CB-CD2 3.93Å; K280-Y299 HydrophobicContact CB-CG 4.28Å; K280-Y299 HydrophobicContact CD-CD2 3.95Å; K280-Y299 HydrophobicContact CD-CE2 4.1Å; K280-Y299 HydrophobicContact CG-CD2 3.82Å; K280-Y299 HydrophobicContact CG-CE2 4.27Å; K280-Y299 PolarHBondContact O-N 2.65Å
281	N	92.8	Very high	89.6	Confident	50 Å²	50	56.6 Å²	56.6	27%	0.267	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	155.2	163.6	65.4	-61.1	0	0	0	109.6	V195 F200 R297	V195-N281 HydrophobicContact CB-CB 4.43Å; V195-N281 HydrophobicContact CG1-CB 4.01Å; V195-N281 PolarHBondContact O-ND2 3.23Å; F200-N281 HydrophobicContact CE1-CB 4.1Å; F200-N281 HydrophobicContact CZ-CB 4.04Å; F200-N281 WeakPolarHBondContact CZ-OD1 3.5Å; N281-R297 CarbonylContact C-O 3.58Å; N281-R297 WeakPolarHBondContact CA-O 3.42Å
282	S	89.6	Confident	89.3	Confident	34 Å²	34	59.4 Å²	59.4	24%	0.238	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	174.9	172.6	67.1	0	0	0	0	110.3	R297 Y299	S282-R297 PolarHBondContact N-O 2.8Å; S282-R297 PolarHBondContact O-N 3.05Å; S282-Y299 WeakPolarHBondContact OG-CE2 3.37Å
283	S	88.6	Confident	89	Confident	79 Å²	79	59.9 Å²	59.9	55%	0.552	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.5	155.1	164.9	55.6	0	0	0	0	110.7	L295	S283-L295 CarbonylContact C-O 3.55Å; S283-L295 VanDerWaalsContact CA-O 3.27Å; S283-L295 WeakPolarHBondContact CA-O 3.2Å
284	T	88	Confident	88.8	Confident	34 Å²	34	62.4 Å²	62.4	21%	0.209	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	171.8	172.2	-166.9	0	0	0	0	109.3	T294 L295	T284-T294 CarbonylContact O-C 3.58Å; T284-T294 WeakPolarHBondContact O-CA 3.4Å; T284-L295 HydrophobicContact CG2-CB 3.9Å; T284-L295 HydrophobicContact CG2-CD1 4.24Å; T284-L295 HydrophobicContact CG2-CG 4.44Å; T284-L295 PolarHBondContact N-O 3.19Å; T284-L295 PolarHBondContact O-N 2.87Å
285	Y	87.5	Confident	88.7	Confident	104 Å²	104	56.7 Å²	56.7	41%	0.408	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	150.2	174.3	-59.5	-79.9	0	0	0	110.2	E287 G288 K289 A290	Y285-E287 PolarHBondContact O-N 3.43Å; Y285-G288 PolarHBondContact O-N 2.93Å; Y285-K289 WeakPolarHBondContact CB-O 3.38Å; Y285-A290 HydrophobicContact CD2-CB 4.45Å; Y285-A290 HydrophobicContact CE2-CB 4.34Å
286	W	88.5	Confident	88.6	Confident	3 Å²	3	57.6 Å²	57.6	1%	0.011	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-55.4	124.7	172.7	-178.4	-98.7	0	0	0	110.9	C174 Y175 F236 R239 I240 G288 K289 M292 E293 L295	C174-W286 HydrophobicContact CB-CZ3 3.92Å; Y175-W286 HydrophobicContact CD2-CH2 4.44Å; Y175-W286 AromaticContact CD2-CZ3 3.97Å; Y175-W286 HydrophobicContact CD2-CZ3 3.97Å; Y175-W286 AromaticContact CE2-CE3 3.98Å; Y175-W286 HydrophobicContact CE2-CE3 3.98Å; Y175-W286 AromaticContact CE2-CH2 3.52Å; Y175-W286 HydrophobicContact CE2-CH2 3.52Å; Y175-W286 HydrophobicContact CE2-CZ2 4.16Å; Y175-W286 AromaticContact CE2-CZ3 3.4Å; Y175-W286 HydrophobicContact CE2-CZ3 3.4Å; Y175-W286 AromaticContact CZ-CH2 3.75Å; F236-W286 HydrophobicContact CB-CE3 4.49Å; F236-W286 HydrophobicContact CB-CH2 3.78Å; F236-W286 HydrophobicContact CB-CZ3 3.71Å; F236-W286 AromaticContact CD1-CD2 3.62Å; F236-W286 HydrophobicContact CD1-CD2 3.62Å; F236-W286 AromaticContact CD1-CE3 3.19Å; F236-W286 HydrophobicContact CD1-CE3 3.19Å; F236-W286 HydrophobicContact CD1-CG 4.41Å; F236-W286 AromaticContact CD1-CH2 3.78Å; F236-W286 HydrophobicContact CD1-CH2 3.78Å; F236-W286 HydrophobicContact CD1-CZ2 4.16Å; F236-W286 AromaticContact CD1-CZ3 3.28Å; F236-W286 HydrophobicContact CD1-CZ3 3.28Å; F236-W286 HydrophobicContact CE1-CB 4.44Å; F236-W286 AromaticContact CE1-CD2 3.88Å; F236-W286 HydrophobicContact CE1-CD2 3.88Å; F236-W286 AromaticContact CE1-CE3 3.62Å; F236-W286 HydrophobicContact CE1-CE3 3.62Å; F236-W286 HydrophobicContact CE1-CG 4.24Å; F236-W286 HydrophobicContact CE1-CZ3 4.18Å; F236-W286 HydrophobicContact CG-CE3 4.14Å; F236-W286 HydrophobicContact CG-CH2 4.25Å; F236-W286 AromaticContact CG-CZ3 3.83Å; F236-W286 HydrophobicContact CG-CZ3 3.83Å; R239-W286 HydrophobicContact CB-CZ2 4.43Å; I240-W286 HydrophobicContact CD1-CH2 3.91Å; I240-W286 HydrophobicContact CG1-CH2 3.86Å; I240-W286 HydrophobicContact CG1-CZ2 4.26Å; W286-G288 PolarHBondContact O-N 2.94Å; W286-K289 PolarHBondContact O-N 3.26Å; W286-K289 VanDerWaalsContact O-N 3.14Å; W286-M292 HydrophobicContact CB-CB 3.95Å; W286-E293 PolarHBondContact N-O 3.36Å; W286-L295 HydrophobicContact CE3-CD1 3.91Å
287	E	83.8	Confident	88.5	Confident	82 Å²	82	58.8 Å²	58.8	38%	0.383	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	53.5	19.7	-172.3	-57.7	-156.7	139.3	0	0	115.7	K244 Y285 K289	K244-E287 WeakPolarHBondContact CE-OE1 3.37Å; K244-E287 IonicContact NZ-OE1 2.81Å; K244-E287 PolarHBondContact NZ-OE1 2.79Å; Y285-E287 PolarHBondContact O-N 3.43Å; E287-K289 HydrophobicContact CB-CD 4.44Å; E287-K289 PolarHBondContact O-N 3.22Å; E287-K289 IonicContact OE2-NZ 3.36Å; E287-K289 PolarHBondContact OE2-NZ 2.98Å; E287-K289 VanDerWaalsContact OE2-NZ 3.08Å
288	G	77.9	Confident	88.5	Confident	60 Å²	60	55.9 Å²	55.9	62%	0.619	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	71.6	11.9	-177.4	0	0	0	0	0	114.5	Y285 W286	Y285-G288 PolarHBondContact O-N 2.93Å; W286-G288 PolarHBondContact O-N 2.94Å
289	K	76.1	Confident	88.5	Confident	103 Å²	103	57.4 Å²	57.4	45%	0.448	31%	0.312	S	S	.	.			trans	-92.7	114.2	-178.4	-70.3	175.8	-178.1	155	0	110.5	Y285 W286 E287 D291 M292	Y285-K289 WeakPolarHBondContact CB-O 3.38Å; W286-K289 PolarHBondContact O-N 3.26Å; W286-K289 VanDerWaalsContact O-N 3.14Å; E287-K289 HydrophobicContact CB-CD 4.44Å; E287-K289 PolarHBondContact O-N 3.22Å; E287-K289 IonicContact OE2-NZ 3.36Å; E287-K289 PolarHBondContact OE2-NZ 2.98Å; E287-K289 VanDerWaalsContact OE2-NZ 3.08Å; K289-D291 WeakPolarHBondContact CB-OD1 3.28Å; K289-D291 PolarHBondContact O-N 3.5Å; K289-D291 VanDerWaalsContact O-N 3.13Å; K289-M292 HydrophobicContact CB-CB 4.23Å; K289-M292 HydrophobicContact CB-CG 3.64Å; K289-M292 HydrophobicContact CD-CG 4.25Å; K289-M292 WeakPolarHBondContact O-CB 3.45Å; K289-M292 PolarHBondContact O-N 3.02Å
290	A	79.8	Confident	88.8	Confident	75 Å²	75	53.8 Å²	53.8	62%	0.62	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-18.5	-171.6	0	0	0	0	0	114.7	Y285 M292	Y285-A290 HydrophobicContact CD2-CB 4.45Å; Y285-A290 HydrophobicContact CE2-CB 4.34Å; A290-M292 VanDerWaalsContact C-N 3.34Å
291	D	84.3	Confident	89.1	Confident	139 Å²	139	48.7 Å²	48.7	74%	0.743	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-4.7	174.9	59.9	-40.6	0	0	0	113.6	K289	K289-D291 WeakPolarHBondContact CB-OD1 3.28Å; K289-D291 PolarHBondContact O-N 3.5Å; K289-D291 VanDerWaalsContact O-N 3.13Å
292	M	88.3	Confident	89.3	Confident	61 Å²	61	46.3 Å²	46.3	30%	0.3	26%	0.261	S	S	.	.	S	Bend	trans	-100.6	175.1	-179.5	-62	-68.4	-72.6	0	0	112.8	W286 K289 A290 T294	W286-M292 HydrophobicContact CB-CB 3.95Å; K289-M292 HydrophobicContact CB-CB 4.23Å; K289-M292 HydrophobicContact CB-CG 3.64Å; K289-M292 HydrophobicContact CD-CG 4.25Å; K289-M292 WeakPolarHBondContact O-CB 3.45Å; K289-M292 PolarHBondContact O-N 3.02Å; A290-M292 VanDerWaalsContact C-N 3.34Å; M292-T294 PolarHBondContact O-N 3.38Å
293	E	90.2	Very high	89.6	Confident	41 Å²	41	45.7 Å²	45.7	19%	0.192	25%	0.254	C	S	.	.			trans	-59.9	136.2	-176.7	-63.3	103.3	143.5	0	0	113.6	F188 K235 F236 R239 W286	F188-E293 HydrophobicContact CD2-CB 4.03Å; F188-E293 HydrophobicContact CE2-CB 3.8Å; F188-E293 HydrophobicContact CE2-CG 4.03Å; F188-E293 HydrophobicContact CZ-CG 4.45Å; K235-E293 IonicContact NZ-OE1 3.41Å; K235-E293 PolarHBondContact NZ-OE1 3.38Å; F236-E293 HydrophobicContact CE1-CB 4.28Å; F236-E293 HydrophobicContact CZ-CB 3.99Å; F236-E293 HydrophobicContact CZ-CG 4.3Å; R239-E293 IonicContact CZ-OE1 2.95Å; R239-E293 IonicContact CZ-OE2 3.86Å; R239-E293 IonicContact NH1-OE1 3.75Å; R239-E293 PolarHBondContact NH1-OE1 3.4Å; R239-E293 IonicContact NH1-OE2 2.73Å; R239-E293 PolarHBondContact NH1-OE2 2.98Å; R239-E293 IonicContact NH2-OE1 2.71Å; R239-E293 PolarHBondContact NH2-OE1 3.4Å; R239-E293 IonicContact NH2-OE2 2.66Å; W286-E293 PolarHBondContact N-O 3.36Å
294	T	90.6	Very high	89.9	Confident	52 Å²	52	44.1 Å²	44.1	32%	0.319	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	129	174	-52.5	0	0	0	0	110.7	F188 T284 M292	F188-T294 WeakPolarHBondContact CD2-O 3.46Å; T284-T294 CarbonylContact O-C 3.58Å; T284-T294 WeakPolarHBondContact O-CA 3.4Å; M292-T294 PolarHBondContact O-N 3.38Å
295	L	93	Very high	90.1	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.01	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	146.1	177.4	-46.5	176.9	0	0	0	110.2	C174 D186 F188 F236 S283 T284 W286	C174-L295 HydrophobicContact CB-CD1 4.22Å; D186-L295 HydrophobicContact CB-CB 4.33Å; D186-L295 HydrophobicContact CB-CD1 4.04Å; F188-L295 HydrophobicContact CB-CD2 3.84Å; F188-L295 HydrophobicContact CD2-CD2 4.22Å; F236-L295 HydrophobicContact CE1-CD2 4.02Å; F236-L295 HydrophobicContact CZ-CD2 3.91Å; S283-L295 CarbonylContact C-O 3.55Å; S283-L295 VanDerWaalsContact CA-O 3.27Å; S283-L295 WeakPolarHBondContact CA-O 3.2Å; T284-L295 HydrophobicContact CG2-CB 3.9Å; T284-L295 HydrophobicContact CG2-CD1 4.24Å; T284-L295 HydrophobicContact CG2-CG 4.44Å; T284-L295 PolarHBondContact N-O 3.19Å; T284-L295 PolarHBondContact O-N 2.87Å; W286-L295 HydrophobicContact CE3-CD1 3.91Å
296	Q	93.6	Very high	90.4	Very high	27 Å²	27	44 Å²	44	13%	0.126	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	124.5	168.6	-59	-58.2	-54.8	0	0	109.3	D186 M187 L189 V195	D186-Q296 CarbonylContact C-O 3.6Å; D186-Q296 WeakPolarHBondContact CA-O 3.35Å; M187-Q296 PolarHBondContact N-O 3.04Å; M187-Q296 PolarHBondContact O-N 3.47Å; L189-Q296 HydrophobicContact CD1-CG 4.05Å; V195-Q296 HydrophobicContact CG2-CB 3.8Å; V195-Q296 HydrophobicContact CG2-CG 4.17Å
297	R	94.4	Very high	90.7	Very high	41 Å²	41	50.7 Å²	50.7	16%	0.155	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	126.7	179.3	-176.3	168.3	-70.9	-173.6	-3.3	110.4	Y184 Y185 D186 N281 S282 Y299	Y184-R297 HydrophobicContact CD2-CG 3.72Å; Y184-R297 VanDerWaalsContact CD2-NE 3.33Å; Y184-R297 VanDerWaalsContact CE2-NE 3.34Å; Y184-R297 VanDerWaalsContact CE2-NH2 3.32Å; Y184-R297 HydrophobicContact CG-CG 3.91Å; Y184-R297 PolarHBondContact OH-NH2 3.19Å; Y185-R297 WeakPolarHBondContact O-CA 3.29Å; D186-R297 WeakPolarHBondContact OD1-CB 3.14Å; D186-R297 WeakPolarHBondContact OD1-CG 3.45Å; D186-R297 IonicContact OD1-CZ 3.93Å; D186-R297 IonicContact OD1-NE 2.88Å; D186-R297 PolarHBondContact OD1-NE 3.12Å; D186-R297 IonicContact OD1-NH2 3.31Å; D186-R297 PolarHBondContact OD1-NH2 3.34Å; D186-R297 IonicContact OD2-CZ 2.72Å; D186-R297 IonicContact OD2-NE 2.76Å; D186-R297 IonicContact OD2-NH2 2.96Å; D186-R297 PolarHBondContact OD2-NH2 2.92Å; N281-R297 CarbonylContact C-O 3.58Å; N281-R297 WeakPolarHBondContact CA-O 3.42Å; S282-R297 PolarHBondContact N-O 2.8Å; S282-R297 PolarHBondContact O-N 3.05Å; R297-Y299 HydrophobicContact CB-CE2 4.46Å; R297-Y299 WeakPolarHBondContact CD-OH 3.33Å; R297-Y299 HydrophobicContact CG-CD2 4.23Å; R297-Y299 HydrophobicContact CG-CE2 3.71Å
298	I	95.6	Very high	91.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	127.8	174	-54.3	-174.9	0	0	0	109.3	L161 M165 Y169 Y184 Y185 V195 L203 I278	L161-I298 HydrophobicContact CD1-CG2 4.34Å; L161-I298 HydrophobicContact CD2-CB 4.13Å; L161-I298 HydrophobicContact CD2-CG2 3.94Å; M165-I298 HydrophobicContact CE-CD1 3.8Å; M165-I298 HydrophobicContact CE-CG1 4.04Å; M165-I298 HydrophobicContact CG-CD1 4.04Å; M165-I298 HydrophobicContact SD-CB 4.39Å; M165-I298 HydrophobicContact SD-CD1 3.92Å; M165-I298 HydrophobicContact SD-CG1 4.34Å; Y169-I298 HydrophobicContact CE2-CD1 4.42Å; Y184-I298 CarbonylContact C-O 3.55Å; Y184-I298 WeakPolarHBondContact CA-O 3.31Å; Y184-I298 WeakPolarHBondContact CB-O 3.48Å; Y185-I298 PolarHBondContact N-O 3.12Å; Y185-I298 PolarHBondContact O-N 3.01Å; V195-I298 HydrophobicContact CB-CD1 4.46Å; V195-I298 HydrophobicContact CG1-CD1 3.77Å; V195-I298 HydrophobicContact CG1-CG1 4.02Å; V195-I298 HydrophobicContact CG2-CD1 3.95Å; V195-I298 HydrophobicContact CG2-CG1 4.21Å; L203-I298 HydrophobicContact CD1-CD1 3.77Å; I278-I298 HydrophobicContact CG2-CG2 3.54Å
299	Y	95.6	Very high	92	Very high	35 Å²	35	47.6 Å²	47.6	14%	0.137	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	138.2	179.1	-63.8	-96.3	0	0	0	111.5	I179 F183 Y184 H279 K280 S282 R297	I179-Y299 HydrophobicContact CD1-CD1 3.93Å; I179-Y299 HydrophobicContact CD1-CE1 4.15Å; F183-Y299 WeakPolarHBondContact O-CA 3.41Å; Y184-Y299 HydrophobicContact CD1-CE1 4.21Å; Y184-Y299 HydrophobicContact CG-CE1 4.37Å; H279-Y299 PolarHBondContact N-O 2.93Å; K280-Y299 HydrophobicContact CB-CD2 3.93Å; K280-Y299 HydrophobicContact CB-CG 4.28Å; K280-Y299 HydrophobicContact CD-CD2 3.95Å; K280-Y299 HydrophobicContact CD-CE2 4.1Å; K280-Y299 HydrophobicContact CG-CD2 3.82Å; K280-Y299 HydrophobicContact CG-CE2 4.27Å; K280-Y299 PolarHBondContact O-N 2.65Å; S282-Y299 WeakPolarHBondContact OG-CE2 3.37Å; R297-Y299 HydrophobicContact CB-CE2 4.46Å; R297-Y299 WeakPolarHBondContact CD-OH 3.33Å; R297-Y299 HydrophobicContact CG-CD2 4.23Å; R297-Y299 HydrophobicContact CG-CE2 3.71Å
300	G	96.3	Very high	92.8	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	157.9	176	0	0	0	0	0	113	G182 F183 K277	G182-G300 WeakPolarHBondContact CA-O 3.42Å; F183-G300 VanDerWaalsContact CD1-O 3.31Å; F183-G300 WeakPolarHBondContact CD1-O 3.26Å; F183-G300 PolarHBondContact N-O 3.32Å; F183-G300 PolarHBondContact O-N 3.41Å; F183-G300 VanDerWaalsContact O-O 3.13Å; K277-G300 VanDerWaalsContact O-CA 3.25Å; K277-G300 WeakPolarHBondContact O-CA 3.31Å
301	I	96.5	Very high	93.4	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	145.4	171.6	-176.9	81.6	0	0	0	107.7	W154 N181 L276 K277 F303 L309 W312	W154-I301 HydrophobicContact CZ2-CD1 4.34Å; N181-I301 VanDerWaalsContact C-CD1 3.4Å; N181-I301 HydrophobicContact CB-CD1 4.5Å; N181-I301 WeakPolarHBondContact O-CD1 3.37Å; L276-I301 CarbonylContact C-O 3.55Å; L276-I301 WeakPolarHBondContact CA-O 3.48Å; K277-I301 HydrophobicContact CB-CG2 3.89Å; K277-I301 PolarHBondContact N-O 3.3Å; K277-I301 PolarHBondContact O-N 3.01Å; I301-F303 HydrophobicContact CD1-CE1 4.45Å; I301-F303 HydrophobicContact CD1-CE2 4.09Å; I301-F303 HydrophobicContact CD1-CZ 3.73Å; I301-F303 HydrophobicContact CG1-CD2 4.19Å; I301-F303 HydrophobicContact CG1-CE1 4.5Å; I301-F303 HydrophobicContact CG1-CE2 3.33Å; I301-F303 HydrophobicContact CG1-CZ 3.52Å; I301-L309 HydrophobicContact CG2-CD1 4.16Å; I301-W312 HydrophobicContact CB-CZ2 4.23Å; I301-W312 HydrophobicContact CG1-CD2 4.34Å; I301-W312 HydrophobicContact CG1-CG 4.5Å; I301-W312 HydrophobicContact CG2-CD2 4.08Å; I301-W312 HydrophobicContact CG2-CE3 3.97Å; I301-W312 HydrophobicContact CG2-CH2 3.69Å; I301-W312 HydrophobicContact CG2-CZ2 3.77Å; I301-W312 HydrophobicContact CG2-CZ3 3.79Å
302	S	97	Very high	93.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	154.7	175.3	61.6	0	0	0	0	112.5	Y153 W154 S157 A275	Y153-S302 VanDerWaalsContact CE1-OG 3.31Å; Y153-S302 WeakPolarHBondContact CE1-OG 3.38Å; W154-S302 PolarHBondContact NE1-O 3.35Å; S157-S302 VanDerWaalsContact CB-OG 3.26Å; S157-S302 WeakPolarHBondContact CB-OG 3.22Å; S157-S302 PolarHBondContact OG-OG 3.37Å; A275-S302 CarbonylContact O-C 3.59Å; A275-S302 WeakPolarHBondContact O-CA 3.31Å; A275-S302 WeakPolarHBondContact O-CB 3.25Å
303	F	96.4	Very high	93.7	Very high	20 Å²	20	48.5 Å²	48.5	9%	0.088	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	150.8	-175.3	-64	-76	0	0	0	112.8	F144 Y153 K274 A275 I301 D305 M308 L309 W312	F144-F303 AromaticContact CE1-CD1 3.93Å; F144-F303 HydrophobicContact CE1-CD1 3.93Å; F144-F303 HydrophobicContact CE1-CE1 4.46Å; F144-F303 AromaticContact CZ-CD1 3.88Å; F144-F303 HydrophobicContact CZ-CD1 3.88Å; F144-F303 HydrophobicContact CZ-CE1 4.4Å; Y153-F303 PolarHBondContact OH-O 3.47Å; K274-F303 PolarHBondContact N-O 3.5Å; A275-F303 PolarHBondContact N-O 2.92Å; A275-F303 PolarHBondContact O-N 3.21Å; I301-F303 HydrophobicContact CD1-CE1 4.45Å; I301-F303 HydrophobicContact CD1-CE2 4.09Å; I301-F303 HydrophobicContact CD1-CZ 3.73Å; I301-F303 HydrophobicContact CG1-CD2 4.19Å; I301-F303 HydrophobicContact CG1-CE1 4.5Å; I301-F303 HydrophobicContact CG1-CE2 3.33Å; I301-F303 HydrophobicContact CG1-CZ 3.52Å; F303-D305 PolarHBondContact O-N 3.5Å; F303-M308 HydrophobicContact CB-CB 3.87Å; F303-M308 HydrophobicContact CB-SD 4.45Å; F303-M308 HydrophobicContact CD1-CB 3.74Å; F303-M308 HydrophobicContact CD1-CE 3.93Å; F303-M308 HydrophobicContact CD1-SD 4.26Å; F303-M308 HydrophobicContact CD2-CB 4.37Å; F303-M308 HydrophobicContact CE1-CB 4.38Å; F303-M308 HydrophobicContact CE1-CE 4.4Å; F303-M308 HydrophobicContact CG-CB 3.73Å; F303-L309 HydrophobicContact CD2-CB 3.86Å; F303-L309 HydrophobicContact CD2-CD1 4.04Å; F303-L309 HydrophobicContact CE2-CB 4.45Å; F303-L309 HydrophobicContact CE2-CD1 4.05Å; F303-W312 HydrophobicContact CE2-CB 3.73Å; F303-W312 AromaticContact CE2-CG 3.92Å; F303-W312 HydrophobicContact CE2-CG 3.92Å; F303-W312 HydrophobicContact CZ-CB 3.82Å; F303-W312 AromaticContact CZ-CD1 3.95Å; F303-W312 AromaticContact CZ-CG 3.93Å; F303-W312 HydrophobicContact CZ-CG 3.93Å
304	P	94.6	Very high	93.7	Very high	47 Å²	47	52.8 Å²	52.8	31%	0.305	25%	0.252	S	S	.	.	S	Bend	trans	-75.3	-13.6	177.3	32.1	-37.7	0	0	0	112.7	F144 Y153 K274 M308	F144-P304 HydrophobicContact CB-CG 3.87Å; F144-P304 HydrophobicContact CD1-CG 3.73Å; F144-P304 HydrophobicContact CD2-CG 4.1Å; F144-P304 HydrophobicContact CE1-CG 4.32Å; F144-P304 HydrophobicContact CG-CG 3.6Å; Y153-P304 HydrophobicContact CE2-CB 4.33Å; Y153-P304 WeakPolarHBondContact OH-CA 3.47Å; K274-P304 VanDerWaalsContact CB-O 3.3Å; K274-P304 WeakPolarHBondContact CB-O 3.32Å; K274-P304 WeakPolarHBondContact CG-O 3.47Å; P304-M308 HydrophobicContact CG-SD 4.05Å
305	D	92.9	Very high	93.5	Very high	66 Å²	66	54.1 Å²	54.1	35%	0.353	25%	0.254	S	S	.	.	S	Bend	trans	-129.6	127.3	174.8	-174.8	-13.6	0	0	0	110.3	F303 K307 M308	F303-D305 PolarHBondContact O-N 3.5Å; D305-K307 PolarHBondContact O-N 2.79Å; D305-K307 VanDerWaalsContact O-N 3.14Å; D305-K307 WeakPolarHBondContact OD1-CB 3.49Å; D305-K307 PolarHBondContact OD1-N 3.3Å; D305-M308 HydrophobicContact CB-CG 4.14Å; D305-M308 HydrophobicContact CB-SD 4.29Å; D305-M308 WeakPolarHBondContact O-CB 3.32Å; D305-M308 PolarHBondContact O-N 2.88Å; D305-M308 VanDerWaalsContact O-N 3.07Å
306	P	93.7	Very high	93.1	Very high	69 Å²	69	57 Å²	57	45%	0.448	27%	0.267	S	S	.	.	H	α-helix	trans	-53.4	-25.2	170.7	-26.8	35.3	0	0	0	115.5	A275 L309 K310	A275-P306 HydrophobicContact CB-CB 4.41Å; A275-P306 HydrophobicContact CB-CG 4.4Å; P306-L309 PolarHBondContact O-N 3.31Å; P306-K310 PolarHBondContact O-N 2.83Å
307	K	95.1	Very high	92.8	Very high	144 Å²	144	61.7 Å²	61.7	63%	0.626	29%	0.289	S	S	*	.	H	α-helix	trans	-63.7	-42	174	-68.4	179.2	-178.8	175.3	0	112	D305 L309 K310 E311	D305-K307 PolarHBondContact O-N 2.79Å; D305-K307 VanDerWaalsContact O-N 3.14Å; D305-K307 WeakPolarHBondContact OD1-CB 3.49Å; D305-K307 PolarHBondContact OD1-N 3.3Å; K307-L309 VanDerWaalsContact C-N 3.26Å; K307-L309 PolarHBondContact O-N 2.94Å; K307-K310 WeakPolarHBondContact O-CB 3.47Å; K307-K310 PolarHBondContact O-N 2.86Å; K307-K310 VanDerWaalsContact O-N 3.08Å; K307-E311 PolarHBondContact O-N 2.83Å
308	M	93.8	Very high	92.4	Very high	55 Å²	55	63.7 Å²	63.7	27%	0.271	30%	0.3	S	S	.	.	H	α-helix	trans	-62.5	-35.8	177	-61.8	176.6	78.8	0	0	111.5	F144 F303 P304 D305 E311 W312	F144-M308 HydrophobicContact CD1-CE 3.91Å; F144-M308 HydrophobicContact CD1-SD 4.42Å; F144-M308 HydrophobicContact CE1-CE 3.62Å; F144-M308 HydrophobicContact CE1-SD 4.38Å; F303-M308 HydrophobicContact CB-CB 3.87Å; F303-M308 HydrophobicContact CB-SD 4.45Å; F303-M308 HydrophobicContact CD1-CB 3.74Å; F303-M308 HydrophobicContact CD1-CE 3.93Å; F303-M308 HydrophobicContact CD1-SD 4.26Å; F303-M308 HydrophobicContact CD2-CB 4.37Å; F303-M308 HydrophobicContact CE1-CB 4.38Å; F303-M308 HydrophobicContact CE1-CE 4.4Å; F303-M308 HydrophobicContact CG-CB 3.73Å; P304-M308 HydrophobicContact CG-SD 4.05Å; D305-M308 HydrophobicContact CB-CG 4.14Å; D305-M308 HydrophobicContact CB-SD 4.29Å; D305-M308 WeakPolarHBondContact O-CB 3.32Å; D305-M308 PolarHBondContact O-N 2.88Å; D305-M308 VanDerWaalsContact O-N 3.07Å; M308-E311 PolarHBondContact O-N 2.87Å; M308-W312 WeakPolarHBondContact O-CB 3.26Å; M308-W312 PolarHBondContact O-N 3.22Å
309	L	93.7	Very high	91.8	Very high	21 Å²	21	64.4 Å²	64.4	11%	0.11	31%	0.306	C	S	.	.	H	α-helix	trans	-63.5	-42.7	173.8	-179	60.9	0	0	0	111.4	A275 K277 I301 F303 P306 K307 W312 E313	A275-L309 HydrophobicContact CB-CB 3.87Å; A275-L309 HydrophobicContact CB-CD2 3.82Å; A275-L309 HydrophobicContact CB-CG 4.46Å; K277-L309 HydrophobicContact CB-CD1 3.78Å; K277-L309 HydrophobicContact CB-CD2 4.24Å; I301-L309 HydrophobicContact CG2-CD1 4.16Å; F303-L309 HydrophobicContact CD2-CB 3.86Å; F303-L309 HydrophobicContact CD2-CD1 4.04Å; F303-L309 HydrophobicContact CE2-CB 4.45Å; F303-L309 HydrophobicContact CE2-CD1 4.05Å; P306-L309 PolarHBondContact O-N 3.31Å; K307-L309 VanDerWaalsContact C-N 3.26Å; K307-L309 PolarHBondContact O-N 2.94Å; L309-W312 HydrophobicContact CD1-CE3 3.97Å; L309-W312 PolarHBondContact O-N 2.95Å; L309-E313 HydrophobicContact CD1-CG 4.38Å; L309-E313 HydrophobicContact CG-CG 4.44Å; L309-E313 WeakPolarHBondContact O-CB 3.48Å; L309-E313 VanDerWaalsContact O-CG 3.31Å; L309-E313 WeakPolarHBondContact O-CG 3.3Å; L309-E313 PolarHBondContact O-N 2.92Å
310	K	93.3	Very high	91.4	Very high	148 Å²	148	69.7 Å²	69.7	64%	0.643	33%	0.33	S	S	*	.	H	α-helix	trans	-64.8	-39.4	177	-69.3	-178.9	178.2	-176.4	0	112.4	P306 K307 E313 K314	P306-K310 PolarHBondContact O-N 2.83Å; K307-K310 WeakPolarHBondContact O-CB 3.47Å; K307-K310 PolarHBondContact O-N 2.86Å; K307-K310 VanDerWaalsContact O-N 3.08Å; K310-E313 PolarHBondContact O-N 2.89Å; K310-K314 WeakPolarHBondContact O-CB 3.44Å; K310-K314 PolarHBondContact O-N 2.95Å
311	E	91.7	Very high	91	Very high	133 Å²	133	73.3 Å²	73.3	62%	0.621	35%	0.349	S	S	*	.	H	α-helix	trans	-63.1	-44.5	174.5	-72.4	173	-178.5	0	0	111	K307 M308 K314 F315	K307-E311 PolarHBondContact O-N 2.83Å; M308-E311 PolarHBondContact O-N 2.87Å; E311-K314 PolarHBondContact O-N 2.82Å; E311-F315 WeakPolarHBondContact O-CB 3.48Å; E311-F315 PolarHBondContact O-N 2.83Å
312	W	90.3	Very high	90.8	Very high	38 Å²	38	76.9 Å²	76.9	14%	0.144	36%	0.363	C	S	.	.	H	α-helix	trans	-61.2	-44.6	173.5	178.7	91.2	0	0	0	111.9	K277 H279 I301 F303 M308 L309 K314 F315 Q316	K277-W312 HydrophobicContact CG-CZ3 4.39Å; H279-W312 HydrophobicContact CB-CH2 3.83Å; H279-W312 AromaticContact CD2-CH2 3.95Å; H279-W312 AromaticContact CG-CH2 3.83Å; I301-W312 HydrophobicContact CB-CZ2 4.23Å; I301-W312 HydrophobicContact CG1-CD2 4.34Å; I301-W312 HydrophobicContact CG1-CG 4.5Å; I301-W312 HydrophobicContact CG2-CD2 4.08Å; I301-W312 HydrophobicContact CG2-CE3 3.97Å; I301-W312 HydrophobicContact CG2-CH2 3.69Å; I301-W312 HydrophobicContact CG2-CZ2 3.77Å; I301-W312 HydrophobicContact CG2-CZ3 3.79Å; F303-W312 HydrophobicContact CE2-CB 3.73Å; F303-W312 AromaticContact CE2-CG 3.92Å; F303-W312 HydrophobicContact CE2-CG 3.92Å; F303-W312 HydrophobicContact CZ-CB 3.82Å; F303-W312 AromaticContact CZ-CD1 3.95Å; F303-W312 AromaticContact CZ-CG 3.93Å; F303-W312 HydrophobicContact CZ-CG 3.93Å; M308-W312 WeakPolarHBondContact O-CB 3.26Å; M308-W312 PolarHBondContact O-N 3.22Å; L309-W312 HydrophobicContact CD1-CE3 3.97Å; L309-W312 PolarHBondContact O-N 2.95Å; W312-K314 PolarHBondContact O-N 3.47Å; W312-F315 WeakPolarHBondContact O-CB 3.46Å; W312-F315 PolarHBondContact O-N 3.12Å; W312-Q316 HydrophobicContact CD2-CG 3.83Å; W312-Q316 HydrophobicContact CE3-CG 4.01Å; W312-Q316 HydrophobicContact CH2-CG 3.75Å; W312-Q316 HydrophobicContact CZ2-CG 3.56Å; W312-Q316 HydrophobicContact CZ3-CG 3.97Å; W312-Q316 WeakPolarHBondContact O-CG 3.37Å; W312-Q316 PolarHBondContact O-N 2.93Å
313	E	90.3	Very high	90.5	Very high	79 Å²	79	78.4 Å²	78.4	37%	0.369	37%	0.371	S	S	.	.	H	α-helix	trans	-61.1	-45.7	177.6	-76.1	176.7	149.8	0	0	111.7	L309 K310 F315 Q316 E317	L309-E313 HydrophobicContact CD1-CG 4.38Å; L309-E313 HydrophobicContact CG-CG 4.44Å; L309-E313 WeakPolarHBondContact O-CB 3.48Å; L309-E313 VanDerWaalsContact O-CG 3.31Å; L309-E313 WeakPolarHBondContact O-CG 3.3Å; L309-E313 PolarHBondContact O-N 2.92Å; K310-E313 PolarHBondContact O-N 2.89Å; E313-F315 VanDerWaalsContact C-N 3.31Å; E313-F315 PolarHBondContact O-N 3.16Å; E313-Q316 PolarHBondContact O-N 3Å; E313-E317 PolarHBondContact O-N 2.88Å
314	K	89.6	Confident	90.4	Very high	130 Å²	130	77.6 Å²	77.6	57%	0.565	37%	0.367	S	S	*	.	H	α-helix	trans	-58.8	-44.9	174.9	-177.9	-178	173.4	-170.6	0	110.9	K310 E311 W312 Q316 E317 E318	K310-K314 WeakPolarHBondContact O-CB 3.44Å; K310-K314 PolarHBondContact O-N 2.95Å; E311-K314 PolarHBondContact O-N 2.82Å; W312-K314 PolarHBondContact O-N 3.47Å; K314-Q316 PolarHBondContact O-N 3.18Å; K314-E317 PolarHBondContact O-N 3.29Å; K314-E318 WeakPolarHBondContact CE-OE1 3.39Å; K314-E318 IonicContact NZ-OE1 3.91Å; K314-E318 WeakPolarHBondContact O-CG 3.34Å; K314-E318 PolarHBondContact O-N 3.28Å
315	F	86.1	Confident	90.4	Very high	81 Å²	81	81.5 Å²	81.5	36%	0.355	38%	0.376	S	S	.	.	H	α-helix	trans	-63.4	-40.7	177.2	-174.1	-101.2	0	0	0	112.6	E311 W312 E313 E317 E318 A319 I553	E311-F315 WeakPolarHBondContact O-CB 3.48Å; E311-F315 PolarHBondContact O-N 2.83Å; W312-F315 WeakPolarHBondContact O-CB 3.46Å; W312-F315 PolarHBondContact O-N 3.12Å; E313-F315 VanDerWaalsContact C-N 3.31Å; E313-F315 PolarHBondContact O-N 3.16Å; F315-E317 VanDerWaalsContact C-N 3.32Å; F315-E317 PolarHBondContact O-N 2.81Å; F315-E318 PolarHBondContact O-N 2.83Å; F315-A319 VanDerWaalsContact O-CB 3.31Å; F315-A319 WeakPolarHBondContact O-CB 3.38Å; F315-A319 PolarHBondContact O-N 3.36Å; F315-I553 WeakPolarHBondContact CE1-O 3.46Å; F315-I553 VanDerWaalsContact CZ-C 3.41Å; F315-I553 HydrophobicContact CZ-CB 4.25Å; F315-I553 WeakPolarHBondContact CZ-O 3.12Å
316	Q	85.7	Confident	90.5	Very high	62 Å²	62	81.7 Å²	81.7	29%	0.29	37%	0.374	S	S	.	.	H	α-helix	trans	-64.8	-36	174.6	-68.3	-53.9	-53.2	0	0	112.3	W312 E313 K314 K320	W312-Q316 HydrophobicContact CD2-CG 3.83Å; W312-Q316 HydrophobicContact CE3-CG 4.01Å; W312-Q316 HydrophobicContact CH2-CG 3.75Å; W312-Q316 HydrophobicContact CZ2-CG 3.56Å; W312-Q316 HydrophobicContact CZ3-CG 3.97Å; W312-Q316 WeakPolarHBondContact O-CG 3.37Å; W312-Q316 PolarHBondContact O-N 2.93Å; E313-Q316 PolarHBondContact O-N 3Å; K314-Q316 PolarHBondContact O-N 3.18Å; Q316-K320 WeakPolarHBondContact O-CB 3.38Å; Q316-K320 VanDerWaalsContact O-CG 3.26Å; Q316-K320 WeakPolarHBondContact O-CG 3.4Å; Q316-K320 PolarHBondContact O-N 2.93Å
317	E	87	Confident	90.5	Very high	126 Å²	126	79 Å²	79	59%	0.589	36%	0.356	S	S	*	.	H	α-helix	trans	-67.7	-44.7	175.1	-172.2	175.5	-175.6	0	0	111.6	E313 K314 F315 A319 K320 N321	E313-E317 PolarHBondContact O-N 2.88Å; K314-E317 PolarHBondContact O-N 3.29Å; F315-E317 VanDerWaalsContact C-N 3.32Å; F315-E317 PolarHBondContact O-N 2.81Å; E317-A319 VanDerWaalsContact C-N 3.32Å; E317-A319 PolarHBondContact O-N 3.34Å; E317-K320 PolarHBondContact O-N 3.39Å; E317-N321 PolarHBondContact O-N 2.73Å; E317-N321 PolarHBondContact O-ND2 3.33Å
318	E	85.1	Confident	90.6	Very high	83 Å²	83	72.2 Å²	72.2	39%	0.388	33%	0.326	S	S	.	.	H	α-helix	trans	-59.8	-42.9	173.2	-72.3	176.8	-173.3	0	0	111.4	K314 F315 N321 R322	K314-E318 WeakPolarHBondContact CE-OE1 3.39Å; K314-E318 IonicContact NZ-OE1 3.91Å; K314-E318 WeakPolarHBondContact O-CG 3.34Å; K314-E318 PolarHBondContact O-N 3.28Å; F315-E318 PolarHBondContact O-N 2.83Å; E318-N321 PolarHBondContact O-N 2.86Å; E318-R322 WeakPolarHBondContact O-CG 3.22Å; E318-R322 PolarHBondContact O-N 2.86Å; E318-R322 VanDerWaalsContact O-N 3.07Å
319	A	83.9	Confident	90.6	Very high	15 Å²	15	78.4 Å²	78.4	12%	0.124	35%	0.346	C	S	.	.	H	α-helix	trans	-62.1	-43.8	175.6	0	0	0	0	0	112.8	F315 E317 N321 R322 D323 I553	F315-A319 VanDerWaalsContact O-CB 3.31Å; F315-A319 WeakPolarHBondContact O-CB 3.38Å; F315-A319 PolarHBondContact O-N 3.36Å; E317-A319 VanDerWaalsContact C-N 3.32Å; E317-A319 PolarHBondContact O-N 3.34Å; A319-N321 VanDerWaalsContact C-N 3.29Å; A319-N321 PolarHBondContact O-N 3.39Å; A319-R322 PolarHBondContact O-N 3.06Å; A319-R322 VanDerWaalsContact O-N 3.16Å; A319-D323 PolarHBondContact O-N 2.87Å; A319-D323 VanDerWaalsContact O-N 3.08Å; A319-I553 HydrophobicContact CB-CB 4.37Å; A319-I553 HydrophobicContact CB-CD1 3.67Å; A319-I553 HydrophobicContact CB-CG2 4.33Å
320	K	86.1	Confident	90.7	Very high	145 Å²	145	83 Å²	83	63%	0.63	37%	0.367	S	S	*	.	H	α-helix	trans	-62.8	-36	175.5	-76.3	171.4	-175.7	176.1	0	112.5	Q316 E317 R322	Q316-K320 WeakPolarHBondContact O-CB 3.38Å; Q316-K320 VanDerWaalsContact O-CG 3.26Å; Q316-K320 WeakPolarHBondContact O-CG 3.4Å; Q316-K320 PolarHBondContact O-N 2.93Å; E317-K320 PolarHBondContact O-N 3.39Å; K320-R322 VanDerWaalsContact C-N 3.29Å
321	N	89	Confident	90.8	Very high	77 Å²	77	77.2 Å²	77.2	41%	0.412	34%	0.342	S	S	.	.	H	α-helix	trans	-72.8	-24.4	177.2	-74.4	-33.1	0	0	0	112.9	E317 E318 A319 K326	E317-N321 PolarHBondContact O-N 2.73Å; E317-N321 PolarHBondContact O-ND2 3.33Å; E318-N321 PolarHBondContact O-N 2.86Å; A319-N321 VanDerWaalsContact C-N 3.29Å; A319-N321 PolarHBondContact O-N 3.39Å; N321-K326 PolarHBondContact OD1-NZ 2.94Å
322	R	91.2	Very high	91	Very high	76 Å²	76	76.1 Å²	76.1	29%	0.287	34%	0.337	S	S	.	.	H	α-helix	trans	-90.9	-10.5	177.6	-70.6	170.3	174.8	-107	6.6	114	E318 A319 K320 H324 L327 A552 I553 E607 N608	E318-R322 WeakPolarHBondContact O-CG 3.22Å; E318-R322 PolarHBondContact O-N 2.86Å; E318-R322 VanDerWaalsContact O-N 3.07Å; A319-R322 PolarHBondContact O-N 3.06Å; A319-R322 VanDerWaalsContact O-N 3.16Å; K320-R322 VanDerWaalsContact C-N 3.29Å; R322-H324 PolarHBondContact O-N 3.33Å; R322-L327 WeakPolarHBondContact O-CD1 3.48Å; R322-A552 VanDerWaalsContact NH1-CB 3.34Å; R322-I553 VanDerWaalsContact CD-CG2 3.49Å; R322-E607 PolarHBondContact NH1-O 2.92Å; R322-E607 WeakPolarHBondContact O-CA 3.21Å; R322-E607 WeakPolarHBondContact O-CG 3.19Å; R322-N608 PolarHBondContact NH1-O 2.75Å
323	D	91.3	Very high	91.4	Very high	32 Å²	32	74.3 Å²	74.3	17%	0.171	33%	0.331	C	S	.	.			trans	-50.5	121.1	-176.9	-170	-46.7	0	0	0	112.1	A319 R325 K326 L327	A319-D323 PolarHBondContact O-N 2.87Å; A319-D323 VanDerWaalsContact O-N 3.08Å; D323-R325 PolarHBondContact O-N 2.8Å; D323-R325 VanDerWaalsContact OD1-CB 3.22Å; D323-R325 WeakPolarHBondContact OD1-CB 3.32Å; D323-R325 WeakPolarHBondContact OD1-CG 3.44Å; D323-R325 IonicContact OD1-CZ 2.75Å; D323-R325 PolarHBondContact OD1-N 3.19Å; D323-R325 IonicContact OD1-NE 2.65Å; D323-R325 PolarHBondContact OD1-NE 2.94Å; D323-R325 IonicContact OD1-NH2 3.56Å; D323-R325 IonicContact OD2-CZ 3.49Å; D323-R325 IonicContact OD2-NE 3.56Å; D323-R325 PolarHBondContact OD2-NE 3.38Å; D323-R325 IonicContact OD2-NH2 2.67Å; D323-R325 PolarHBondContact OD2-NH2 2.72Å; D323-K326 HydrophobicContact CB-CB 4.35Å; D323-K326 WeakPolarHBondContact O-CB 3.44Å; D323-K326 PolarHBondContact O-N 3.18Å; D323-L327 PolarHBondContact O-N 2.88Å
324	H	94.6	Very high	91.8	Very high	3 Å²	3	71.2 Å²	71.2	1%	0.014	32%	0.316	C	S	.	.	H	α-helix	trans	-59.5	-24.4	-176.3	69.2	-78.5	0	0	0	113.1	R322 G328 F334 L453 A603 T606 E607	R322-H324 PolarHBondContact O-N 3.33Å; H324-G328 VanDerWaalsContact O-CA 3.24Å; H324-G328 WeakPolarHBondContact O-CA 3.43Å; H324-G328 PolarHBondContact O-N 3.03Å; H324-F334 AromaticContact CD2-CZ 3.9Å; H324-F334 WeakPolarHBondContact O-CZ 3.5Å; H324-L453 PolarHBondContact NE2-N 3Å; H324-A603 HydrophobicContact CB-CB 4.26Å; H324-T606 HydrophobicContact CB-CG2 4.04Å; H324-E607 HydrophobicContact CB-CG 4.06Å; H324-E607 IonicContact CE1-OE1 3.26Å; H324-E607 IonicContact CG-OE1 3.66Å; H324-E607 PolarHBondContact N-OE1 3.19Å; H324-E607 IonicContact ND1-OE1 2.58Å; H324-E607 PolarHBondContact ND1-OE1 3.41Å
325	R	94.1	Very high	92.1	Very high	128 Å²	128	69.4 Å²	69.4	48%	0.483	31%	0.308	S	S	.	.	H	α-helix	trans	-73.2	-37	177.4	-57.2	170.2	-69	-178.1	-1.4	111.2	D323 R329	D323-R325 PolarHBondContact O-N 2.8Å; D323-R325 VanDerWaalsContact OD1-CB 3.22Å; D323-R325 WeakPolarHBondContact OD1-CB 3.32Å; D323-R325 WeakPolarHBondContact OD1-CG 3.44Å; D323-R325 IonicContact OD1-CZ 2.75Å; D323-R325 PolarHBondContact OD1-N 3.19Å; D323-R325 IonicContact OD1-NE 2.65Å; D323-R325 PolarHBondContact OD1-NE 2.94Å; D323-R325 IonicContact OD1-NH2 3.56Å; D323-R325 IonicContact OD2-CZ 3.49Å; D323-R325 IonicContact OD2-NE 3.56Å; D323-R325 PolarHBondContact OD2-NE 3.38Å; D323-R325 IonicContact OD2-NH2 2.67Å; D323-R325 PolarHBondContact OD2-NH2 2.72Å; R325-R329 PolarHBondContact O-N 3.39Å
326	K	94.4	Very high	92.6	Very high	71 Å²	71	69 Å²	69	31%	0.309	31%	0.306	S	S	.	.	H	α-helix	trans	-70.4	-55.9	174.9	179.4	-176.6	171.4	-176	0	109.4	N321 D323 G328 R329 E330	N321-K326 PolarHBondContact OD1-NZ 2.94Å; D323-K326 HydrophobicContact CB-CB 4.35Å; D323-K326 WeakPolarHBondContact O-CB 3.44Å; D323-K326 PolarHBondContact O-N 3.18Å; K326-G328 PolarHBondContact O-N 3.19Å; K326-R329 PolarHBondContact O-N 2.82Å; K326-E330 WeakPolarHBondContact CE-OE1 3.23Å; K326-E330 WeakPolarHBondContact CG-OE1 3.48Å; K326-E330 WeakPolarHBondContact O-CG 3.25Å; K326-E330 PolarHBondContact O-N 3.15Å
327	L	95.2	Very high	93	Very high	13 Å²	13	69.9 Å²	69.9	7%	0.068	31%	0.31	C	S	.	.	H	α-helix	trans	-64.1	-40.1	-178.2	-68.6	179.2	0	0	0	112.5	R322 D323 R329 E330 Q331 T606 G610	R322-L327 WeakPolarHBondContact O-CD1 3.48Å; D323-L327 PolarHBondContact O-N 2.88Å; L327-R329 VanDerWaalsContact C-N 3.25Å; L327-R329 PolarHBondContact O-N 2.96Å; L327-E330 PolarHBondContact O-N 2.76Å; L327-Q331 WeakPolarHBondContact O-CB 3.36Å; L327-Q331 WeakPolarHBondContact O-CG 3.24Å; L327-Q331 PolarHBondContact O-N 2.88Å; L327-T606 HydrophobicContact CB-CG2 3.68Å; L327-T606 HydrophobicContact CD1-CG2 3.92Å; L327-T606 HydrophobicContact CG-CG2 4.48Å; L327-G610 VanDerWaalsContact CD1-C 3.48Å
328	G	95.9	Very high	93.3	Very high	0 Å²	0	71.9 Å²	71.9	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-61.7	-32.5	177.4	0	0	0	0	0	113	H324 K326 E332 L333	H324-G328 VanDerWaalsContact O-CA 3.24Å; H324-G328 WeakPolarHBondContact O-CA 3.43Å; H324-G328 PolarHBondContact O-N 3.03Å; K326-G328 PolarHBondContact O-N 3.19Å; G328-E332 PolarHBondContact O-N 3.21Å; G328-L333 PolarHBondContact O-N 3.11Å
329	R	95.1	Very high	93.7	Very high	186 Å²	186	75 Å²	75	70%	0.702	34%	0.338	S	S	*	.	H	α-helix	trans	-76.5	-45.3	171.6	-176.9	-179.8	60.3	179.6	-2.1	111.9	R325 K326 L327 Q331 E332	R325-R329 PolarHBondContact O-N 3.39Å; K326-R329 PolarHBondContact O-N 2.82Å; L327-R329 VanDerWaalsContact C-N 3.25Å; L327-R329 PolarHBondContact O-N 2.96Å; R329-Q331 VanDerWaalsContact C-N 3.25Å; R329-Q331 PolarHBondContact O-N 2.61Å; R329-E332 PolarHBondContact O-N 2.99Å
330	E	94.8	Very high	94.2	Very high	116 Å²	116	76.4 Å²	76.4	54%	0.542	35%	0.347	S	S	.	.	H	α-helix	trans	-61.8	-33	179.8	-73.7	173.5	-178.8	0	0	112.7	K326 L327	K326-E330 WeakPolarHBondContact CE-OE1 3.23Å; K326-E330 WeakPolarHBondContact CG-OE1 3.48Å; K326-E330 WeakPolarHBondContact O-CG 3.25Å; K326-E330 PolarHBondContact O-N 3.15Å; L327-E330 PolarHBondContact O-N 2.76Å
331	Q	95.8	Very high	94.4	Very high	27 Å²	27	72.2 Å²	72.2	13%	0.126	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	4.6	178.1	-63.8	-172.2	1.9	0	0	113.8	L327 R329 L333 K349 G611	L327-Q331 WeakPolarHBondContact O-CB 3.36Å; L327-Q331 WeakPolarHBondContact O-CG 3.24Å; L327-Q331 PolarHBondContact O-N 2.88Å; R329-Q331 VanDerWaalsContact C-N 3.25Å; R329-Q331 PolarHBondContact O-N 2.61Å; Q331-L333 VanDerWaalsContact C-N 3.29Å; Q331-L333 HydrophobicContact CB-CD1 4.35Å; Q331-L333 HydrophobicContact CB-CD2 3.93Å; Q331-L333 HydrophobicContact CB-CG 3.83Å; Q331-L333 PolarHBondContact O-N 2.74Å; Q331-K349 VanDerWaalsContact O-CD 3.25Å; Q331-K349 WeakPolarHBondContact O-CD 3.47Å; Q331-G611 VanDerWaalsContact NE2-CA 3.29Å; Q331-G611 PolarHBondContact NE2-O 3.08Å
332	E	96.3	Very high	94.6	Very high	111 Å²	111	68.8 Å²	68.8	52%	0.519	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	43.8	179	-50.6	170.1	119.9	0	0	112.6	G328 R329 L347 K349	G328-E332 PolarHBondContact O-N 3.21Å; R329-E332 PolarHBondContact O-N 2.99Å; E332-L347 HydrophobicContact CB-CD1 4.07Å; E332-L347 WeakPolarHBondContact O-CB 3.37Å; E332-L347 WeakPolarHBondContact O-CD1 3.15Å; E332-K349 IonicContact OE2-NZ 3.55Å; E332-K349 PolarHBondContact OE2-NZ 2.94Å
333	L	97.8	Very high	94.8	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	31%	0.312	C	S	.	.			trans	-82.2	-42.6	179.8	-54.8	-175.2	0	0	0	111.2	G328 Q331 L347 K349 G350 I353 W613 P619	G328-L333 PolarHBondContact O-N 3.11Å; Q331-L333 VanDerWaalsContact C-N 3.29Å; Q331-L333 HydrophobicContact CB-CD1 4.35Å; Q331-L333 HydrophobicContact CB-CD2 3.93Å; Q331-L333 HydrophobicContact CB-CG 3.83Å; Q331-L333 PolarHBondContact O-N 2.74Å; L333-L347 PolarHBondContact O-N 3.49Å; L333-K349 HydrophobicContact CD2-CB 3.84Å; L333-G350 VanDerWaalsContact O-CA 3.31Å; L333-G350 WeakPolarHBondContact O-CA 3.3Å; L333-I353 HydrophobicContact CD1-CD1 4.13Å; L333-I353 HydrophobicContact CD2-CD1 3.93Å; L333-W613 HydrophobicContact CD1-CZ2 3.77Å; L333-P619 HydrophobicContact CD2-CG 4.02Å
334	F	98.1	Very high	95	Very high	13 Å²	13	65.8 Å²	65.8	6%	0.057	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	165.1	-175.6	59.9	-94.9	0	0	0	113.2	H324 F336 C344 F345 F346 L453	H324-F334 AromaticContact CD2-CZ 3.9Å; H324-F334 WeakPolarHBondContact O-CZ 3.5Å; F334-F336 HydrophobicContact CD2-CD2 4.23Å; F334-F336 AromaticContact CD2-CE2 3.77Å; F334-F336 HydrophobicContact CD2-CE2 3.77Å; F334-F336 HydrophobicContact CE2-CD2 4.44Å; F334-F336 AromaticContact CE2-CE2 3.83Å; F334-F336 HydrophobicContact CE2-CE2 3.83Å; F334-C344 WeakPolarHBondContact CB-SG 3.37Å; F334-F345 CarbonylContact C-O 3.59Å; F334-F345 WeakPolarHBondContact CA-O 3.41Å; F334-F345 VanDerWaalsContact CB-O 3.29Å; F334-F345 WeakPolarHBondContact CB-O 3.37Å; F334-F346 HydrophobicContact CB-CD1 4.15Å; F334-L453 HydrophobicContact CD1-CD1 3.64Å; F334-L453 HydrophobicContact CD1-CG 4.32Å; F334-L453 HydrophobicContact CD2-CG 4.41Å; F334-L453 HydrophobicContact CE1-CD1 3.33Å; F334-L453 HydrophobicContact CE1-CG 4.03Å; F334-L453 HydrophobicContact CE2-CD1 4.33Å; F334-L453 HydrophobicContact CE2-CG 4.13Å; F334-L453 HydrophobicContact CG-CD1 4.27Å; F334-L453 HydrophobicContact CZ-CD1 3.73Å; F334-L453 HydrophobicContact CZ-CG 3.93Å
335	F	97.2	Very high	95.1	Very high	92 Å²	92	69.9 Å²	69.9	40%	0.404	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	171.1	167.8	72.1	-82.6	0	0	0	111.5	H337 F345 L347	F335-H337 HydrophobicContact CE2-CB 4.39Å; F335-F345 HydrophobicContact CD1-CB 3.66Å; F335-F345 HydrophobicContact CD2-CB 4.21Å; F335-F345 HydrophobicContact CD2-CD2 4.26Å; F335-F345 HydrophobicContact CD2-CG 4.37Å; F335-F345 HydrophobicContact CE1-CB 3.32Å; F335-F345 HydrophobicContact CE1-CD1 4.4Å; F335-F345 AromaticContact CE1-CG 3.95Å; F335-F345 HydrophobicContact CE1-CG 3.95Å; F335-F345 HydrophobicContact CE2-CB 3.91Å; F335-F345 HydrophobicContact CE2-CD1 4.31Å; F335-F345 AromaticContact CE2-CD2 3.82Å; F335-F345 HydrophobicContact CE2-CD2 3.82Å; F335-F345 HydrophobicContact CE2-CE2 4.45Å; F335-F345 AromaticContact CE2-CG 3.76Å; F335-F345 HydrophobicContact CE2-CG 3.76Å; F335-F345 HydrophobicContact CG-CB 4.09Å; F335-F345 HydrophobicContact CZ-CB 3.45Å; F335-F345 VanDerWaalsContact CZ-CB 3.45Å; F335-F345 AromaticContact CZ-CD1 3.81Å; F335-F345 HydrophobicContact CZ-CD1 3.81Å; F335-F345 HydrophobicContact CZ-CD2 4.09Å; F335-F345 AromaticContact CZ-CG 3.52Å; F335-F345 HydrophobicContact CZ-CG 3.52Å; F335-F345 PolarHBondContact N-O 3.38Å; F335-F345 PolarHBondContact O-N 2.89Å; F335-L347 HydrophobicContact CD1-CD1 4.47Å; F335-L347 HydrophobicContact CD1-CD2 3.96Å; F335-L347 HydrophobicContact CD1-CG 4.15Å; F335-L347 HydrophobicContact CE1-CD2 3.93Å
336	F	95.6	Very high	95.3	Very high	72 Å²	72	66.2 Å²	66.2	32%	0.316	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	149.3	174.1	-72.9	-93.2	0	0	0	109.4	F334 S343 C344 G452 L453 V456	F334-F336 HydrophobicContact CD2-CD2 4.23Å; F334-F336 AromaticContact CD2-CE2 3.77Å; F334-F336 HydrophobicContact CD2-CE2 3.77Å; F334-F336 HydrophobicContact CE2-CD2 4.44Å; F334-F336 AromaticContact CE2-CE2 3.83Å; F334-F336 HydrophobicContact CE2-CE2 3.83Å; F336-S343 WeakPolarHBondContact CD1-O 3.12Å; F336-C344 HydrophobicContact CD1-CB 4.44Å; F336-C344 HydrophobicContact CE1-CB 3.67Å; F336-C344 HydrophobicContact CE2-CB 4.32Å; F336-C344 HydrophobicContact CZ-CB 3.59Å; F336-G452 VanDerWaalsContact CZ-C 3.46Å; F336-G452 WeakPolarHBondContact CZ-O 3.31Å; F336-L453 HydrophobicContact CZ-CD2 4.12Å; F336-V456 HydrophobicContact CE1-CG1 4.31Å; F336-V456 HydrophobicContact CZ-CG1 4.35Å
337	H	95.2	Very high	95.5	Very high	81 Å²	81	65.5 Å²	65.5	38%	0.375	32%	0.316	S	S	.	.			trans	-129.6	143.4	179.6	-162.2	-86.7	0	0	0	110.7	F335 L339 S340 F345	F335-H337 HydrophobicContact CE2-CB 4.39Å; H337-L339 WeakPolarHBondContact ND1-CB 3.5Å; H337-L339 WeakPolarHBondContact ND1-CG 3.34Å; H337-L339 PolarHBondContact ND1-N 2.83Å; H337-L339 PolarHBondContact O-N 2.95Å; H337-S340 CarbonylContact O-C 3.58Å; H337-S340 VanDerWaalsContact O-C 3.27Å; H337-S340 PolarHBondContact O-N 3.07Å; H337-F345 HydrophobicContact CB-CD2 4.31Å; H337-F345 HydrophobicContact CB-CE2 3.67Å; H337-F345 HydrophobicContact CB-CZ 4.3Å
338	E	91.9	Very high	95.6	Very high	169 Å²	169	70 Å²	70	79%	0.79	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-25.3	-177.1	63.1	-178.4	-174.8	0	0	113.9	S340 P341	E338-S340 PolarHBondContact O-N 3.14Å; E338-P341 WeakPolarHBondContact O-CD 3.49Å
339	L	94.6	Very high	95.7	Very high	149 Å²	149	72.6 Å²	72.6	78%	0.78	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-15.3	175	-63.8	176.5	0	0	0	113.7	H337	H337-L339 WeakPolarHBondContact ND1-CB 3.5Å; H337-L339 WeakPolarHBondContact ND1-CG 3.34Å; H337-L339 PolarHBondContact ND1-N 2.83Å; H337-L339 PolarHBondContact O-N 2.95Å
340	S	93.7	Very high	95.8	Very high	44 Å²	44	63.7 Å²	63.7	31%	0.308	32%	0.323	S	S	.	.	S	Bend	trans	-141.2	69.1	172.9	-155.1	0	0	0	0	109.6	H337 E338 G342 S343	H337-S340 CarbonylContact O-C 3.58Å; H337-S340 VanDerWaalsContact O-C 3.27Å; H337-S340 PolarHBondContact O-N 3.07Å; E338-S340 PolarHBondContact O-N 3.14Å; S340-G342 PolarHBondContact O-N 3.47Å; S340-S343 WeakPolarHBondContact O-CB 3.41Å; S340-S343 PolarHBondContact O-N 2.82Å; S340-S343 WeakPolarHBondContact OG-CB 3.32Å; S340-S343 PolarHBondContact OG-OG 3.37Å; S340-S343 VanDerWaalsContact OG-OG 3.11Å
341	P	91.3	Very high	96	Very high	56 Å²	56	59.7 Å²	59.7	36%	0.364	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	133.5	-173.5	27.5	-31.8	0	0	0	109.4	E338 S343 L450 R457	E338-P341 WeakPolarHBondContact O-CD 3.49Å; P341-S343 PolarHBondContact O-N 3.32Å; P341-L450 HydrophobicContact CB-CD1 4.39Å; P341-R457 WeakPolarHBondContact O-CD 3.48Å
342	G	91.8	Very high	96.1	Very high	6 Å²	6	60.2 Å²	60.2	6%	0.062	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	74	8.1	-177.2	0	0	0	0	0	114.5	S340 V456 R457	S340-G342 PolarHBondContact O-N 3.47Å; G342-V456 CarbonylContact O-C 3.48Å; G342-V456 WeakPolarHBondContact O-CA 3.45Å; G342-V456 VanDerWaalsContact O-CB 3.22Å; G342-V456 WeakPolarHBondContact O-CB 3.17Å; G342-R457 PolarHBondContact O-N 3.41Å
343	S	95.3	Very high	96.2	Very high	23 Å²	23	54.9 Å²	54.9	16%	0.161	29%	0.287	C	S	.	.			trans	-111.8	121.9	170.5	-56.1	0	0	0	0	109	F336 S340 P341	F336-S343 WeakPolarHBondContact CD1-O 3.12Å; S340-S343 WeakPolarHBondContact O-CB 3.41Å; S340-S343 PolarHBondContact O-N 2.82Å; S340-S343 WeakPolarHBondContact OG-CB 3.32Å; S340-S343 PolarHBondContact OG-OG 3.37Å; S340-S343 VanDerWaalsContact OG-OG 3.11Å; P341-S343 PolarHBondContact O-N 3.32Å
344	C	96.4	Very high	96.2	Very high	22 Å²	22	55.6 Å²	55.6	15%	0.149	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	138.6	-173.9	-168.9	0	0	0	0	112.1	F334 F336 F346 L453	F334-C344 WeakPolarHBondContact CB-SG 3.37Å; F336-C344 HydrophobicContact CD1-CB 4.44Å; F336-C344 HydrophobicContact CE1-CB 3.67Å; F336-C344 HydrophobicContact CE2-CB 4.32Å; F336-C344 HydrophobicContact CZ-CB 3.59Å; C344-F346 HydrophobicContact CB-CE2 4.12Å; C344-F346 HydrophobicContact CB-CZ 4.49Å; C344-L453 HydrophobicContact CB-CD2 3.71Å; C344-L453 WeakPolarHBondContact SG-CD2 3.32Å
345	F	97.6	Very high	96.2	Very high	88 Å²	88	59 Å²	59	39%	0.386	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	105.7	167	-66.7	-99.3	0	0	0	108.9	F334 F335 H337	F334-F345 CarbonylContact C-O 3.59Å; F334-F345 WeakPolarHBondContact CA-O 3.41Å; F334-F345 VanDerWaalsContact CB-O 3.29Å; F334-F345 WeakPolarHBondContact CB-O 3.37Å; F335-F345 HydrophobicContact CD1-CB 3.66Å; F335-F345 HydrophobicContact CD2-CB 4.21Å; F335-F345 HydrophobicContact CD2-CD2 4.26Å; F335-F345 HydrophobicContact CD2-CG 4.37Å; F335-F345 HydrophobicContact CE1-CB 3.32Å; F335-F345 HydrophobicContact CE1-CD1 4.4Å; F335-F345 AromaticContact CE1-CG 3.95Å; F335-F345 HydrophobicContact CE1-CG 3.95Å; F335-F345 HydrophobicContact CE2-CB 3.91Å; F335-F345 HydrophobicContact CE2-CD1 4.31Å; F335-F345 AromaticContact CE2-CD2 3.82Å; F335-F345 HydrophobicContact CE2-CD2 3.82Å; F335-F345 HydrophobicContact CE2-CE2 4.45Å; F335-F345 AromaticContact CE2-CG 3.76Å; F335-F345 HydrophobicContact CE2-CG 3.76Å; F335-F345 HydrophobicContact CG-CB 4.09Å; F335-F345 HydrophobicContact CZ-CB 3.45Å; F335-F345 VanDerWaalsContact CZ-CB 3.45Å; F335-F345 AromaticContact CZ-CD1 3.81Å; F335-F345 HydrophobicContact CZ-CD1 3.81Å; F335-F345 HydrophobicContact CZ-CD2 4.09Å; F335-F345 AromaticContact CZ-CG 3.52Å; F335-F345 HydrophobicContact CZ-CG 3.52Å; F335-F345 PolarHBondContact N-O 3.38Å; F335-F345 PolarHBondContact O-N 2.89Å; H337-F345 HydrophobicContact CB-CD2 4.31Å; H337-F345 HydrophobicContact CB-CE2 3.67Å; H337-F345 HydrophobicContact CB-CZ 4.3Å
346	F	98.1	Very high	96.2	Very high	51 Å²	51	55.4 Å²	55.4	22%	0.224	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	124.7	173.2	-72.4	-79.6	0	0	0	110.4	F334 C344 A351 Y354 L453 E599 I602	F334-F346 HydrophobicContact CB-CD1 4.15Å; C344-F346 HydrophobicContact CB-CE2 4.12Å; C344-F346 HydrophobicContact CB-CZ 4.49Å; F346-A351 HydrophobicContact CB-CB 4.38Å; F346-Y354 HydrophobicContact CD1-CD2 4.47Å; F346-Y354 HydrophobicContact CD2-CD2 4.06Å; F346-Y354 HydrophobicContact CD2-CE2 4.28Å; F346-Y354 HydrophobicContact CE1-CD2 4.09Å; F346-Y354 AromaticContact CE2-CD2 3.63Å; F346-Y354 HydrophobicContact CE2-CD2 3.63Å; F346-Y354 AromaticContact CE2-CE2 3.62Å; F346-Y354 HydrophobicContact CE2-CE2 3.62Å; F346-Y354 HydrophobicContact CG-CD2 4.46Å; F346-Y354 AromaticContact CZ-CD2 3.65Å; F346-Y354 HydrophobicContact CZ-CD2 3.65Å; F346-Y354 AromaticContact CZ-CE2 3.89Å; F346-Y354 HydrophobicContact CZ-CE2 3.89Å; F346-L453 HydrophobicContact CE1-CD1 4.2Å; F346-L453 HydrophobicContact CE1-CD2 4.21Å; F346-L453 HydrophobicContact CZ-CD1 4.38Å; F346-L453 HydrophobicContact CZ-CD2 3.72Å; F346-E599 HydrophobicContact CE2-CG 4.08Å; F346-E599 HydrophobicContact CZ-CG 4.04Å; F346-I602 HydrophobicContact CE1-CD1 3.66Å; F346-I602 HydrophobicContact CZ-CD1 4Å
347	L	98.1	Very high	96.3	Very high	57 Å²	57	52 Å²	52	30%	0.298	28%	0.279	S	S	.	.			trans	-80.3	168.8	171.6	-66.6	174.1	0	0	0	109.7	E332 L333 F335 K349 G350 A351	E332-L347 HydrophobicContact CB-CD1 4.07Å; E332-L347 WeakPolarHBondContact O-CB 3.37Å; E332-L347 WeakPolarHBondContact O-CD1 3.15Å; L333-L347 PolarHBondContact O-N 3.49Å; F335-L347 HydrophobicContact CD1-CD1 4.47Å; F335-L347 HydrophobicContact CD1-CD2 3.96Å; F335-L347 HydrophobicContact CD1-CG 4.15Å; F335-L347 HydrophobicContact CE1-CD2 3.93Å; L347-K349 VanDerWaalsContact C-N 3.28Å; L347-K349 PolarHBondContact O-N 3.48Å; L347-K349 VanDerWaalsContact O-N 3.11Å; L347-G350 PolarHBondContact O-N 3.23Å; L347-A351 WeakPolarHBondContact O-CB 3.43Å; L347-A351 PolarHBondContact O-N 2.95Å
348	P	97.4	Very high	96.4	Very high	107 Å²	107	48.5 Å²	48.5	70%	0.695	26%	0.263	S	S	*	.	H	α-helix	trans	-50.6	-42.6	-174.4	-30.8	36.9	0	0	0	114.7	A351 F352	P348-A351 PolarHBondContact O-N 2.86Å; P348-F352 PolarHBondContact O-N 2.66Å
349	K	97.4	Very high	96.7	Very high	54 Å²	54	46 Å²	46	24%	0.235	25%	0.252	C	S	.	.	H	α-helix	trans	-65	-43.8	176.9	-69.1	177.5	-179.2	162.5	0	112.5	Q331 E332 L333 L347 F352 I353 P619	Q331-K349 VanDerWaalsContact O-CD 3.25Å; Q331-K349 WeakPolarHBondContact O-CD 3.47Å; E332-K349 IonicContact OE2-NZ 3.55Å; E332-K349 PolarHBondContact OE2-NZ 2.94Å; L333-K349 HydrophobicContact CD2-CB 3.84Å; L347-K349 VanDerWaalsContact C-N 3.28Å; L347-K349 PolarHBondContact O-N 3.48Å; L347-K349 VanDerWaalsContact O-N 3.11Å; K349-F352 PolarHBondContact O-N 3.25Å; K349-I353 PolarHBondContact O-N 2.99Å; K349-P619 HydrophobicContact CB-CB 3.61Å; K349-P619 HydrophobicContact CB-CG 4.17Å; K349-P619 HydrophobicContact CG-CB 3.95Å
350	G	97.8	Very high	96.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-69.5	-36.5	176	0	0	0	0	0	113	L333 L347 F352 I353 Y354	L333-G350 VanDerWaalsContact O-CA 3.31Å; L333-G350 WeakPolarHBondContact O-CA 3.3Å; L347-G350 PolarHBondContact O-N 3.23Å; G350-F352 VanDerWaalsContact C-N 3.33Å; G350-F352 PolarHBondContact O-N 2.95Å; G350-I353 PolarHBondContact O-N 3.07Å; G350-Y354 WeakPolarHBondContact O-CB 3.4Å; G350-Y354 PolarHBondContact O-N 3.22Å
351	A	98.1	Very high	97	Very high	31 Å²	31	37.1 Å²	37.1	26%	0.256	20%	0.201	S	C	.	.	H	α-helix	trans	-65.1	-36.3	175.8	0	0	0	0	0	111.9	F346 L347 P348 Y354 N355	F346-A351 HydrophobicContact CB-CB 4.38Å; L347-A351 WeakPolarHBondContact O-CB 3.43Å; L347-A351 PolarHBondContact O-N 2.95Å; P348-A351 PolarHBondContact O-N 2.86Å; A351-Y354 WeakPolarHBondContact O-CB 3.49Å; A351-Y354 PolarHBondContact O-N 2.66Å; A351-N355 WeakPolarHBondContact O-CB 3.48Å; A351-N355 PolarHBondContact O-N 3.31Å; A351-N355 PolarHBondContact O-ND2 3.3Å
352	F	97.9	Very high	97.2	Very high	38 Å²	38	38.8 Å²	38.8	17%	0.167	20%	0.2	C	C	.	.	H	α-helix	trans	-58.2	-49.6	171.6	174.7	-95.7	0	0	0	111.6	P348 K349 G350 Y354 N355 T356 S618 P619 M648	P348-F352 PolarHBondContact O-N 2.66Å; K349-F352 PolarHBondContact O-N 3.25Å; G350-F352 VanDerWaalsContact C-N 3.33Å; G350-F352 PolarHBondContact O-N 2.95Å; F352-Y354 VanDerWaalsContact C-N 3.33Å; F352-Y354 PolarHBondContact O-N 2.85Å; F352-N355 PolarHBondContact O-N 2.77Å; F352-T356 VanDerWaalsContact O-CB 3.27Å; F352-T356 WeakPolarHBondContact O-CB 3.48Å; F352-T356 PolarHBondContact O-N 3.44Å; F352-T356 PolarHBondContact O-OG1 2.73Å; F352-S618 WeakPolarHBondContact CE1-O 3.36Å; F352-P619 HydrophobicContact CD1-CB 4.31Å; F352-M648 HydrophobicContact CD1-CG 4.15Å; F352-M648 HydrophobicContact CD2-CG 3.69Å; F352-M648 HydrophobicContact CD2-SD 3.75Å; F352-M648 HydrophobicContact CE1-CG 4.1Å; F352-M648 HydrophobicContact CE2-CG 3.62Å; F352-M648 HydrophobicContact CE2-SD 4.15Å; F352-M648 HydrophobicContact CG-CG 3.95Å; F352-M648 HydrophobicContact CG-SD 4.16Å; F352-M648 HydrophobicContact CZ-CG 3.84Å
353	I	98.3	Very high	97.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-58.7	-48	176.3	-61.3	169.3	0	0	0	110	L333 K349 G350 N355 T356 L357 I602 W613 L617 P619	L333-I353 HydrophobicContact CD1-CD1 4.13Å; L333-I353 HydrophobicContact CD2-CD1 3.93Å; K349-I353 PolarHBondContact O-N 2.99Å; G350-I353 PolarHBondContact O-N 3.07Å; I353-N355 PolarHBondContact O-N 3.39Å; I353-T356 PolarHBondContact O-N 3.27Å; I353-L357 HydrophobicContact CG2-CD1 4.19Å; I353-L357 WeakPolarHBondContact O-CG 2.94Å; I353-L357 PolarHBondContact O-N 2.99Å; I353-I602 HydrophobicContact CG2-CD1 4.26Å; I353-I602 HydrophobicContact CG2-CG1 3.89Å; I353-W613 HydrophobicContact CD1-CD2 4.16Å; I353-W613 HydrophobicContact CD1-CE3 4.42Å; I353-W613 HydrophobicContact CD1-CH2 3.93Å; I353-W613 HydrophobicContact CD1-CZ2 3.64Å; I353-W613 HydrophobicContact CD1-CZ3 4.3Å; I353-W613 HydrophobicContact CG2-CH2 4.33Å; I353-W613 HydrophobicContact CG2-CZ3 4.17Å; I353-L617 HydrophobicContact CB-CD1 4.41Å; I353-L617 WeakPolarHBondContact CG1-O 3.38Å; I353-L617 HydrophobicContact CG2-CD1 3.78Å; I353-L617 HydrophobicContact CG2-CD2 4.39Å; I353-L617 HydrophobicContact CG2-CG 4.03Å; I353-P619 HydrophobicContact CD1-CG 4.06Å; I353-P619 HydrophobicContact CG1-CG 4.38Å
354	Y	98.3	Very high	97.5	Very high	15 Å²	15	38.7 Å²	38.7	6%	0.059	20%	0.198	C	C	.	.	H	α-helix	trans	-54.7	-52.3	180	-163.7	-82	0	0	0	112.3	F346 G350 A351 F352 L357 I358 R458 Q460 V598 E599 I602	F346-Y354 HydrophobicContact CD1-CD2 4.47Å; F346-Y354 HydrophobicContact CD2-CD2 4.06Å; F346-Y354 HydrophobicContact CD2-CE2 4.28Å; F346-Y354 HydrophobicContact CE1-CD2 4.09Å; F346-Y354 AromaticContact CE2-CD2 3.63Å; F346-Y354 HydrophobicContact CE2-CD2 3.63Å; F346-Y354 AromaticContact CE2-CE2 3.62Å; F346-Y354 HydrophobicContact CE2-CE2 3.62Å; F346-Y354 HydrophobicContact CG-CD2 4.46Å; F346-Y354 AromaticContact CZ-CD2 3.65Å; F346-Y354 HydrophobicContact CZ-CD2 3.65Å; F346-Y354 AromaticContact CZ-CE2 3.89Å; F346-Y354 HydrophobicContact CZ-CE2 3.89Å; G350-Y354 WeakPolarHBondContact O-CB 3.4Å; G350-Y354 PolarHBondContact O-N 3.22Å; A351-Y354 WeakPolarHBondContact O-CB 3.49Å; A351-Y354 PolarHBondContact O-N 2.66Å; F352-Y354 VanDerWaalsContact C-N 3.33Å; F352-Y354 PolarHBondContact O-N 2.85Å; Y354-L357 PolarHBondContact O-N 3.37Å; Y354-I358 HydrophobicContact CD1-CD1 3.65Å; Y354-I358 HydrophobicContact CD1-CG1 4.45Å; Y354-I358 HydrophobicContact CE1-CD1 3.37Å; Y354-I358 HydrophobicContact CE1-CG1 4.42Å; Y354-I358 WeakPolarHBondContact O-CG1 3.22Å; Y354-I358 PolarHBondContact O-N 3.42Å; Y354-R458 PolarHBondContact OH-NH1 2.71Å; Y354-Q460 VanDerWaalsContact OH-CB 3.31Å; Y354-Q460 WeakPolarHBondContact OH-CB 3.35Å; Y354-Q460 PolarHBondContact OH-OE1 2.99Å; Y354-V598 HydrophobicContact CD1-CG1 4.12Å; Y354-V598 HydrophobicContact CD2-CB 4.23Å; Y354-V598 HydrophobicContact CD2-CG1 3.47Å; Y354-V598 VanDerWaalsContact CD2-CG1 3.47Å; Y354-V598 HydrophobicContact CE1-CB 4.46Å; Y354-V598 HydrophobicContact CE1-CG1 4.17Å; Y354-V598 HydrophobicContact CE2-CB 3.72Å; Y354-V598 HydrophobicContact CE2-CG1 3.5Å; Y354-V598 VanDerWaalsContact CE2-CG1 3.5Å; Y354-V598 HydrophobicContact CG-CG1 3.78Å; Y354-E599 HydrophobicContact CE2-CG 4.42Å; Y354-E599 PolarHBondContact OH-OE1 3.05Å; Y354-I602 HydrophobicContact CD2-CD1 3.66Å; Y354-I602 HydrophobicContact CG-CD1 4.29Å
355	N	97.8	Very high	97.5	Very high	84 Å²	84	37.9 Å²	37.9	45%	0.449	19%	0.192	S	C	.	.	H	α-helix	trans	-68.2	-38.8	-179.1	-69	-28.7	0	0	0	111.7	A351 F352 I353 L357 I358 E359	A351-N355 WeakPolarHBondContact O-CB 3.48Å; A351-N355 PolarHBondContact O-N 3.31Å; A351-N355 PolarHBondContact O-ND2 3.3Å; F352-N355 PolarHBondContact O-N 2.77Å; I353-N355 PolarHBondContact O-N 3.39Å; N355-L357 VanDerWaalsContact C-N 3.31Å; N355-L357 PolarHBondContact O-N 3.25Å; N355-I358 PolarHBondContact O-N 2.8Å; N355-E359 WeakPolarHBondContact O-CB 3.24Å; N355-E359 WeakPolarHBondContact O-CG 3.23Å; N355-E359 PolarHBondContact O-N 3.42Å
356	T	97.9	Very high	97.4	Very high	17 Å²	17	43 Å²	43	10%	0.104	21%	0.209	C	C	.	.	H	α-helix	trans	-61.2	-39.7	177.4	-59.5	0	0	0	0	111.7	F352 I353 F360 W616 L617	F352-T356 VanDerWaalsContact O-CB 3.27Å; F352-T356 WeakPolarHBondContact O-CB 3.48Å; F352-T356 PolarHBondContact O-N 3.44Å; F352-T356 PolarHBondContact O-OG1 2.73Å; I353-T356 PolarHBondContact O-N 3.27Å; T356-F360 WeakPolarHBondContact O-CB 3.22Å; T356-F360 PolarHBondContact O-N 3.35Å; T356-W616 HydrophobicContact CG2-CE3 3.65Å; T356-W616 HydrophobicContact CG2-CZ3 3.74Å; T356-W616 WeakPolarHBondContact CG2-O 3.02Å; T356-L617 HydrophobicContact CG2-CD1 3.81Å
357	L	97.8	Very high	97.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-65.7	-43.7	174.5	-70.1	172.7	0	0	0	112.1	I353 Y354 N355 F360 I361 F491 L595 V598 M601 I602 L605 W616 L617	I353-L357 HydrophobicContact CG2-CD1 4.19Å; I353-L357 WeakPolarHBondContact O-CG 2.94Å; I353-L357 PolarHBondContact O-N 2.99Å; Y354-L357 PolarHBondContact O-N 3.37Å; N355-L357 VanDerWaalsContact C-N 3.31Å; N355-L357 PolarHBondContact O-N 3.25Å; L357-F360 WeakPolarHBondContact O-CB 3.42Å; L357-F360 PolarHBondContact O-N 2.96Å; L357-I361 PolarHBondContact O-N 2.81Å; L357-I361 VanDerWaalsContact O-N 3.1Å; L357-F491 HydrophobicContact CD2-CE1 3.84Å; L357-F491 HydrophobicContact CD2-CZ 3.64Å; L357-L595 HydrophobicContact CB-CD1 4.26Å; L357-V598 HydrophobicContact CB-CG1 4.44Å; L357-V598 HydrophobicContact CD1-CG1 4.21Å; L357-M601 HydrophobicContact CD1-CG 4.34Å; L357-I602 HydrophobicContact CD1-CD1 4.43Å; L357-I602 HydrophobicContact CD1-CG1 3.64Å; L357-L605 HydrophobicContact CD1-CD1 4.16Å; L357-L605 HydrophobicContact CD2-CD1 3.88Å; L357-W616 HydrophobicContact CD2-CH2 4.34Å; L357-L617 HydrophobicContact CD2-CD1 3.99Å; L357-L617 HydrophobicContact CD2-CD2 4.27Å; L357-L617 HydrophobicContact CG-CD1 3.97Å
358	I	97.6	Very high	97.2	Very high	8 Å²	8	46.9 Å²	46.9	4%	0.041	22%	0.222	C	C	.	.	H	α-helix	trans	-62.2	-46.5	176.6	-71	179.2	0	0	0	110.6	Y354 N355 F360 I361 R362 F438 V598	Y354-I358 HydrophobicContact CD1-CD1 3.65Å; Y354-I358 HydrophobicContact CD1-CG1 4.45Å; Y354-I358 HydrophobicContact CE1-CD1 3.37Å; Y354-I358 HydrophobicContact CE1-CG1 4.42Å; Y354-I358 WeakPolarHBondContact O-CG1 3.22Å; Y354-I358 PolarHBondContact O-N 3.42Å; N355-I358 PolarHBondContact O-N 2.8Å; I358-F360 VanDerWaalsContact C-N 3.31Å; I358-F360 PolarHBondContact O-N 3.12Å; I358-I361 PolarHBondContact O-N 2.85Å; I358-R362 HydrophobicContact CG2-CG 4.23Å; I358-R362 VanDerWaalsContact CG2-CZ 3.45Å; I358-R362 WeakPolarHBondContact O-CB 3.42Å; I358-R362 WeakPolarHBondContact O-CG 3.03Å; I358-R362 PolarHBondContact O-N 3.39Å; I358-F438 HydrophobicContact CB-CZ 4.47Å; I358-F438 HydrophobicContact CD1-CD1 4.3Å; I358-F438 HydrophobicContact CG1-CD1 4.08Å; I358-F438 HydrophobicContact CG1-CE1 3.93Å; I358-F438 HydrophobicContact CG1-CZ 4.38Å; I358-F438 HydrophobicContact CG2-CD1 4.49Å; I358-F438 HydrophobicContact CG2-CD2 4.03Å; I358-F438 HydrophobicContact CG2-CE1 4.39Å; I358-F438 HydrophobicContact CG2-CE2 3.92Å; I358-F438 HydrophobicContact CG2-CG 4.32Å; I358-F438 HydrophobicContact CG2-CZ 4.12Å; I358-V598 HydrophobicContact CD1-CG2 4.41Å; I358-V598 HydrophobicContact CG1-CG2 4.05Å
359	E	96.8	Very high	97.2	Very high	117 Å²	117	43.9 Å²	43.9	55%	0.547	21%	0.21	S	C	.	.	H	α-helix	trans	-61.9	-38.9	178.3	-75.8	170.3	-165.3	0	0	112.2	N355 R362 S363	N355-E359 WeakPolarHBondContact O-CB 3.24Å; N355-E359 WeakPolarHBondContact O-CG 3.23Å; N355-E359 PolarHBondContact O-N 3.42Å; E359-R362 PolarHBondContact O-N 3.36Å; E359-S363 WeakPolarHBondContact O-CB 3.1Å; E359-S363 PolarHBondContact O-N 2.9Å
360	F	97.3	Very high	97.2	Very high	6 Å²	6	42.3 Å²	42.3	3%	0.026	20%	0.203	C	C	.	.	H	α-helix	trans	-57.8	-53.4	173.1	172.1	-149.4	0	0	0	110.7	T356 L357 I358 R362 S363 E364 V487 V490 F491 W616 R716	T356-F360 WeakPolarHBondContact O-CB 3.22Å; T356-F360 PolarHBondContact O-N 3.35Å; L357-F360 WeakPolarHBondContact O-CB 3.42Å; L357-F360 PolarHBondContact O-N 2.96Å; I358-F360 VanDerWaalsContact C-N 3.31Å; I358-F360 PolarHBondContact O-N 3.12Å; F360-R362 PolarHBondContact O-N 2.96Å; F360-S363 WeakPolarHBondContact O-CB 3.42Å; F360-S363 PolarHBondContact O-N 2.79Å; F360-S363 VanDerWaalsContact O-N 3.1Å; F360-S363 PolarHBondContact O-OG 3.1Å; F360-E364 HydrophobicContact CD2-CG 4.13Å; F360-E364 HydrophobicContact CE2-CG 3.78Å; F360-E364 PolarHBondContact O-N 3.28Å; F360-V487 HydrophobicContact CE1-CB 4.4Å; F360-V487 HydrophobicContact CE1-CG1 3.85Å; F360-V487 HydrophobicContact CE1-CG2 4.31Å; F360-V487 HydrophobicContact CZ-CB 4.31Å; F360-V487 HydrophobicContact CZ-CG1 4.26Å; F360-V487 HydrophobicContact CZ-CG2 4Å; F360-V490 HydrophobicContact CE1-CB 4.38Å; F360-V490 HydrophobicContact CE1-CG1 4.17Å; F360-V490 HydrophobicContact CZ-CB 4.08Å; F360-V490 HydrophobicContact CZ-CG1 4.12Å; F360-V490 HydrophobicContact CZ-CG2 4.01Å; F360-F491 HydrophobicContact CD1-CZ 4Å; F360-F491 HydrophobicContact CE1-CE1 4.49Å; F360-F491 HydrophobicContact CE1-CE2 4.12Å; F360-F491 AromaticContact CE1-CZ 3.86Å; F360-F491 HydrophobicContact CE1-CZ 3.86Å; F360-W616 HydrophobicContact CB-CZ3 4.18Å; F360-W616 AromaticContact CD1-CH2 3.79Å; F360-W616 HydrophobicContact CD1-CH2 3.79Å; F360-W616 HydrophobicContact CD1-CZ3 4.29Å; F360-W616 HydrophobicContact CE1-CH2 4.32Å; F360-W616 HydrophobicContact CG-CH2 4.32Å; F360-W616 HydrophobicContact CG-CZ3 4.39Å; F360-R716 VanDerWaalsContact CE2-CZ 3.43Å
361	I	97.3	Very high	97.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-64.8	-40.4	-180	-64.6	-59.8	0	0	0	112	L357 I358 S363 E364 Y365 F438 D462 F483 V487 L595	L357-I361 PolarHBondContact O-N 2.81Å; L357-I361 VanDerWaalsContact O-N 3.1Å; I358-I361 PolarHBondContact O-N 2.85Å; I361-S363 PolarHBondContact O-N 2.85Å; I361-E364 CarbonylContact O-C 3.51Å; I361-E364 PolarHBondContact O-N 3.13Å; I361-Y365 HydrophobicContact CG2-CD1 4.24Å; I361-Y365 HydrophobicContact CG2-CD2 4.13Å; I361-Y365 HydrophobicContact CG2-CE1 3.73Å; I361-Y365 HydrophobicContact CG2-CE2 3.61Å; I361-Y365 HydrophobicContact CG2-CG 4.4Å; I361-Y365 PolarHBondContact O-N 2.89Å; I361-F438 HydrophobicContact CB-CZ 3.92Å; I361-F438 HydrophobicContact CG2-CE2 4.37Å; I361-F438 HydrophobicContact CG2-CZ 3.73Å; I361-D462 HydrophobicContact CG2-CB 4.02Å; I361-F483 HydrophobicContact CD1-CE2 4.44Å; I361-F483 HydrophobicContact CD1-CZ 4.13Å; I361-F483 HydrophobicContact CG2-CZ 4.25Å; I361-V487 HydrophobicContact CD1-CG1 4.13Å; I361-V487 HydrophobicContact CD1-CG2 3.88Å; I361-L595 HydrophobicContact CD1-CD1 4.13Å; I361-L595 HydrophobicContact CD1-CD2 3.99Å; I361-L595 HydrophobicContact CD1-CG 3.81Å; I361-L595 HydrophobicContact CG1-CD1 3.51Å; I361-L595 HydrophobicContact CG1-CD2 4.31Å; I361-L595 HydrophobicContact CG1-CG 3.74Å
362	R	96.9	Very high	97	Very high	90 Å²	90	50.6 Å²	50.6	34%	0.34	24%	0.237	S	C	.	.	H	α-helix	trans	-58.6	-34.8	172.9	-75.6	179	170.4	147.8	0.7	112.7	I358 E359 F360 E364 Y365 R366 E372 F438	I358-R362 HydrophobicContact CG2-CG 4.23Å; I358-R362 VanDerWaalsContact CG2-CZ 3.45Å; I358-R362 WeakPolarHBondContact O-CB 3.42Å; I358-R362 WeakPolarHBondContact O-CG 3.03Å; I358-R362 PolarHBondContact O-N 3.39Å; E359-R362 PolarHBondContact O-N 3.36Å; F360-R362 PolarHBondContact O-N 2.96Å; R362-E364 VanDerWaalsContact C-N 3.3Å; R362-Y365 HydrophobicContact CG-CD2 4.47Å; R362-R366 PolarHBondContact O-N 2.91Å; R362-E372 WeakPolarHBondContact CD-OE2 3.3Å; R362-E372 IonicContact CZ-OE1 2.74Å; R362-E372 VanDerWaalsContact CZ-OE1 3.23Å; R362-E372 IonicContact CZ-OE2 3.24Å; R362-E372 VanDerWaalsContact NE-CD 3.33Å; R362-E372 IonicContact NE-OE1 2.95Å; R362-E372 PolarHBondContact NE-OE1 2.81Å; R362-E372 IonicContact NE-OE2 3.6Å; R362-E372 PolarHBondContact NE-OE2 2.87Å; R362-E372 IonicContact NH2-OE1 3.58Å; R362-E372 PolarHBondContact NH2-OE1 2.93Å; R362-F438 HydrophobicContact CG-CD2 4.47Å; R362-F438 HydrophobicContact CG-CE2 3.88Å
363	S	96.3	Very high	97	Very high	25 Å²	25	49.7 Å²	49.7	18%	0.175	23%	0.234	C	C	.	.	H	α-helix	trans	-65.2	-36.3	175.2	81.4	0	0	0	0	111.7	E359 F360 I361 K367 R716	E359-S363 WeakPolarHBondContact O-CB 3.1Å; E359-S363 PolarHBondContact O-N 2.9Å; F360-S363 WeakPolarHBondContact O-CB 3.42Å; F360-S363 PolarHBondContact O-N 2.79Å; F360-S363 VanDerWaalsContact O-N 3.1Å; F360-S363 PolarHBondContact O-OG 3.1Å; I361-S363 PolarHBondContact O-N 2.85Å; S363-K367 PolarHBondContact O-N 2.9Å; S363-R716 PolarHBondContact OG-NH2 2.86Å; S363-R716 VanDerWaalsContact OG-NH2 3.14Å
364	E	96.9	Very high	96.9	Very high	3 Å²	3	56.1 Å²	56.1	1%	0.014	27%	0.273	C	S	.	.	H	α-helix	trans	-81.2	-30.8	179.2	-60.5	-59	137.1	0	0	112.5	F360 I361 R362 R366 K367 R368 F483 R716	F360-E364 HydrophobicContact CD2-CG 4.13Å; F360-E364 HydrophobicContact CE2-CG 3.78Å; F360-E364 PolarHBondContact O-N 3.28Å; I361-E364 CarbonylContact O-C 3.51Å; I361-E364 PolarHBondContact O-N 3.13Å; R362-E364 VanDerWaalsContact C-N 3.3Å; E364-R366 VanDerWaalsContact C-N 3.33Å; E364-R366 PolarHBondContact O-N 2.96Å; E364-K367 PolarHBondContact O-N 3.24Å; E364-K367 IonicContact OE1-NZ 2.64Å; E364-K367 PolarHBondContact OE1-NZ 3.07Å; E364-K367 IonicContact OE2-NZ 3.14Å; E364-R368 PolarHBondContact O-N 2.84Å; E364-R368 VanDerWaalsContact O-N 3.17Å; E364-R368 IonicContact OE2-CZ 2.83Å; E364-R368 IonicContact OE2-NH1 3.57Å; E364-R368 PolarHBondContact OE2-NH1 3.02Å; E364-F483 HydrophobicContact CB-CD2 3.99Å; E364-F483 HydrophobicContact CB-CE1 4.37Å; E364-F483 HydrophobicContact CB-CE2 3.11Å; E364-F483 HydrophobicContact CB-CZ 3.34Å; E364-F483 HydrophobicContact CG-CD2 4.48Å; E364-F483 HydrophobicContact CG-CE2 3.64Å; E364-F483 HydrophobicContact CG-CZ 4.25Å; E364-R716 IonicContact OE1-NH1 3Å; E364-R716 PolarHBondContact OE1-NH1 2.88Å; E364-R716 IonicContact OE1-NH2 3.37Å
365	Y	96.8	Very high	96.8	Very high	5 Å²	5	56 Å²	56	2%	0.02	27%	0.274	C	S	.	.	H	α-helix	trans	-55.2	-47.1	167.5	-75	-22.6	0	0	0	112.1	I361 R362 K367 R368 G369 F370 A436 F438 D462 F483 R592	I361-Y365 HydrophobicContact CG2-CD1 4.24Å; I361-Y365 HydrophobicContact CG2-CD2 4.13Å; I361-Y365 HydrophobicContact CG2-CE1 3.73Å; I361-Y365 HydrophobicContact CG2-CE2 3.61Å; I361-Y365 HydrophobicContact CG2-CG 4.4Å; I361-Y365 PolarHBondContact O-N 2.89Å; R362-Y365 HydrophobicContact CG-CD2 4.47Å; Y365-K367 VanDerWaalsContact C-N 3.35Å; Y365-K367 PolarHBondContact O-N 2.84Å; Y365-R368 CarbonylContact O-C 3.55Å; Y365-R368 PolarHBondContact O-N 2.84Å; Y365-R368 VanDerWaalsContact O-N 3.13Å; Y365-G369 PolarHBondContact O-N 3.41Å; Y365-G369 VanDerWaalsContact O-N 3.08Å; Y365-F370 HydrophobicContact CD1-CB 3.86Å; Y365-F370 HydrophobicContact CD1-CD1 4.25Å; Y365-F370 HydrophobicContact CD1-CD2 4.03Å; Y365-F370 AromaticContact CD1-CG 3.77Å; Y365-F370 HydrophobicContact CD1-CG 3.77Å; Y365-F370 HydrophobicContact CE1-CD1 4.42Å; Y365-F370 HydrophobicContact CE1-CG 4.38Å; Y365-F370 HydrophobicContact CG-CB 3.93Å; Y365-F370 HydrophobicContact CG-CG 4.36Å; Y365-F370 PolarHBondContact O-N 3.45Å; Y365-A436 HydrophobicContact CD1-CB 4.3Å; Y365-A436 HydrophobicContact CD2-CB 3.79Å; Y365-A436 HydrophobicContact CE1-CB 4Å; Y365-A436 HydrophobicContact CE2-CB 3.47Å; Y365-A436 VanDerWaalsContact CE2-CB 3.47Å; Y365-A436 HydrophobicContact CG-CB 4.22Å; Y365-F438 HydrophobicContact CD2-CE2 4.29Å; Y365-F438 HydrophobicContact CE2-CD2 4.34Å; Y365-F438 AromaticContact CE2-CE2 3.51Å; Y365-F438 HydrophobicContact CE2-CE2 3.51Å; Y365-F438 HydrophobicContact CE2-CZ 4Å; Y365-D462 VanDerWaalsContact OH-C 3.28Å; Y365-D462 PolarHBondContact OH-O 2.82Å; Y365-F483 AromaticContact CD1-CE1 3.97Å; Y365-F483 HydrophobicContact CD1-CE1 3.97Å; Y365-F483 HydrophobicContact CD1-CZ 4.43Å; Y365-F483 AromaticContact CE1-CE1 3.96Å; Y365-F483 HydrophobicContact CE1-CE1 3.96Å; Y365-R592 VanDerWaalsContact CE1-NH2 3.3Å
366	R	95.4	Very high	96.8	Very high	196 Å²	196	55.7 Å²	55.7	74%	0.74	28%	0.276	S	S	*	.	H	α-helix	trans	-60	-42.6	178.3	-77.4	-174.1	-89.8	-177.3	-6.9	112.5	R362 E364 R368	R362-R366 PolarHBondContact O-N 2.91Å; E364-R366 VanDerWaalsContact C-N 3.33Å; E364-R366 PolarHBondContact O-N 2.96Å; R366-R368 PolarHBondContact O-N 2.94Å
367	K	96.1	Very high	96.7	Very high	139 Å²	139	58 Å²	58	60%	0.604	29%	0.289	S	S	*	.	H	α-helix	trans	-64.8	-28.6	177.5	-65.9	173	-173.7	172.6	0	112.9	S363 E364 Y365	S363-K367 PolarHBondContact O-N 2.9Å; E364-K367 PolarHBondContact O-N 3.24Å; E364-K367 IonicContact OE1-NZ 2.64Å; E364-K367 PolarHBondContact OE1-NZ 3.07Å; E364-K367 IonicContact OE2-NZ 3.14Å; Y365-K367 VanDerWaalsContact C-N 3.35Å; Y365-K367 PolarHBondContact O-N 2.84Å
368	R	96.1	Very high	96.7	Very high	50 Å²	50	62 Å²	62	19%	0.189	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	10.4	-173	-67.3	175.4	172.2	73.8	-1	113.7	E364 Y365 R366 F370 R434 D482 T486	E364-R368 PolarHBondContact O-N 2.84Å; E364-R368 VanDerWaalsContact O-N 3.17Å; E364-R368 IonicContact OE2-CZ 2.83Å; E364-R368 IonicContact OE2-NH1 3.57Å; E364-R368 PolarHBondContact OE2-NH1 3.02Å; Y365-R368 CarbonylContact O-C 3.55Å; Y365-R368 PolarHBondContact O-N 2.84Å; Y365-R368 VanDerWaalsContact O-N 3.13Å; R366-R368 PolarHBondContact O-N 2.94Å; R368-F370 VanDerWaalsContact C-N 3.33Å; R368-F370 HydrophobicContact CB-CD2 3.82Å; R368-F370 HydrophobicContact CB-CE2 3.91Å; R368-F370 PolarHBondContact O-N 2.96Å; R368-R434 PolarHBondContact O-NH1 3.22Å; R368-D482 IonicContact CZ-OD2 3.2Å; R368-D482 IonicContact NE-OD2 3.41Å; R368-D482 IonicContact NH2-OD2 3.84Å; R368-D482 PolarHBondContact NH2-OD2 3.29Å; R368-T486 PolarHBondContact NH2-OG1 3.04Å; R368-T486 VanDerWaalsContact NH2-OG1 3.08Å
369	G	96	Very high	96.6	Very high	43 Å²	43	63 Å²	63	44%	0.443	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.8	26.1	175.5	0	0	0	0	0	114.8	Y365	Y365-G369 PolarHBondContact O-N 3.41Å; Y365-G369 VanDerWaalsContact O-N 3.08Å
370	F	97.4	Very high	96.7	Very high	22 Å²	22	58.8 Å²	58.8	10%	0.096	29%	0.294	C	S	.	.			trans	-76.3	140	170	-76	-99.1	0	0	0	110.3	Y365 R368 R434 A436 A464 I466 R592	Y365-F370 HydrophobicContact CD1-CB 3.86Å; Y365-F370 HydrophobicContact CD1-CD1 4.25Å; Y365-F370 HydrophobicContact CD1-CD2 4.03Å; Y365-F370 AromaticContact CD1-CG 3.77Å; Y365-F370 HydrophobicContact CD1-CG 3.77Å; Y365-F370 HydrophobicContact CE1-CD1 4.42Å; Y365-F370 HydrophobicContact CE1-CG 4.38Å; Y365-F370 HydrophobicContact CG-CB 3.93Å; Y365-F370 HydrophobicContact CG-CG 4.36Å; Y365-F370 PolarHBondContact O-N 3.45Å; R368-F370 VanDerWaalsContact C-N 3.33Å; R368-F370 HydrophobicContact CB-CD2 3.82Å; R368-F370 HydrophobicContact CB-CE2 3.91Å; R368-F370 PolarHBondContact O-N 2.96Å; F370-R434 HydrophobicContact CB-CB 4.49Å; F370-R434 HydrophobicContact CD1-CB 3.65Å; F370-R434 HydrophobicContact CD2-CB 4.42Å; F370-R434 HydrophobicContact CE1-CB 3.79Å; F370-R434 HydrophobicContact CE1-CG 4.43Å; F370-R434 HydrophobicContact CG-CB 3.95Å; F370-R434 HydrophobicContact CZ-CB 4.22Å; F370-R434 HydrophobicContact CZ-CG 4.42Å; F370-A436 HydrophobicContact CB-CB 4.22Å; F370-A436 HydrophobicContact CD1-CB 4.13Å; F370-A464 HydrophobicContact CD1-CB 3.91Å; F370-A464 HydrophobicContact CE1-CB 3.67Å; F370-I466 HydrophobicContact CE1-CD1 4.25Å; F370-I466 HydrophobicContact CE1-CG1 3.98Å; F370-I466 HydrophobicContact CZ-CD1 3.87Å; F370-I466 HydrophobicContact CZ-CG1 4.11Å; F370-R592 VanDerWaalsContact CE1-NH2 3.29Å
371	Q	96.3	Very high	96.6	Very high	117 Å²	117	58.9 Å²	58.9	55%	0.547	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	115.8	174.3	-61.3	-179.8	2.9	0	0	108.6	R434 M435 A436	Q371-R434 PolarHBondContact N-O 3.36Å; Q371-M435 WeakPolarHBondContact O-CA 3.36Å; Q371-A436 PolarHBondContact O-N 3.13Å
372	E	96.6	Very high	96.5	Very high	87 Å²	87	64.5 Å²	64.5	41%	0.407	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	131.5	176.6	-170.4	170.5	-178.7	0	0	110.2	R362 A436	R362-E372 WeakPolarHBondContact CD-OE2 3.3Å; R362-E372 IonicContact CZ-OE1 2.74Å; R362-E372 VanDerWaalsContact CZ-OE1 3.23Å; R362-E372 IonicContact CZ-OE2 3.24Å; R362-E372 VanDerWaalsContact NE-CD 3.33Å; R362-E372 IonicContact NE-OE1 2.95Å; R362-E372 PolarHBondContact NE-OE1 2.81Å; R362-E372 IonicContact NE-OE2 3.6Å; R362-E372 PolarHBondContact NE-OE2 2.87Å; R362-E372 IonicContact NH2-OE1 3.58Å; R362-E372 PolarHBondContact NH2-OE1 2.93Å; E372-A436 CarbonylContact C-O 3.47Å; E372-A436 VanDerWaalsContact CA-O 3.3Å; E372-A436 WeakPolarHBondContact CA-O 2.99Å
373	V	96.9	Very high	96.5	Very high	20 Å²	20	61.1 Å²	61.1	12%	0.121	31%	0.308	C	S	.	.			trans	-124.2	160.3	179.1	-59.8	0	0	0	0	110.2	T375 M420 M435 A436 D437	V373-T375 HydrophobicContact CG2-CG2 4.47Å; V373-M420 HydrophobicContact CB-CE 3.77Å; V373-M420 HydrophobicContact CB-SD 3.97Å; V373-M420 HydrophobicContact CG1-CE 3.54Å; V373-M420 HydrophobicContact CG1-SD 4.21Å; V373-M420 HydrophobicContact CG2-CE 4.41Å; V373-M420 HydrophobicContact CG2-SD 4Å; V373-M435 HydrophobicContact CG2-CB 4.43Å; V373-A436 WeakPolarHBondContact CG2-O 3.38Å; V373-A436 PolarHBondContact N-O 2.95Å; V373-D437 HydrophobicContact CG2-CB 4.01Å
374	V	96.8	Very high	96.5	Very high	135 Å²	135	59.9 Å²	59.9	82%	0.818	30%	0.299	S	S	*	.			trans	-125.1	122.7	174.9	-179.1	0	0	0	0	108.3
375	T	96.5	Very high	96.3	Very high	12 Å²	12	63.4 Å²	63.4	7%	0.074	32%	0.317	C	S	.	.			trans	-116.3	152.4	-177.9	58.6	0	0	0	0	112.3	V373 K410 M420 D437	V373-T375 HydrophobicContact CG2-CG2 4.47Å; T375-K410 PolarHBondContact OG1-NZ 2.97Å; T375-M420 HydrophobicContact CG2-SD 3.78Å; T375-D437 WeakPolarHBondContact CG2-OD2 3.43Å; T375-D437 PolarHBondContact OG1-OD2 3.03Å
376	P	96.9	Very high	96.2	Very high	77 Å²	77	66.2 Å²	66.2	50%	0.5	33%	0.334	S	S	.	.			trans	-51.7	155.1	174	-28.3	32.8	0	0	0	114.3	Y379 K410	P376-Y379 HydrophobicContact CB-CE1 4.22Å; P376-Y379 HydrophobicContact CB-CE2 4.12Å; P376-Y379 WeakPolarHBondContact CD-OH 3.43Å; P376-Y379 HydrophobicContact CG-CE1 4.3Å; P376-Y379 WeakPolarHBondContact O-CE2 3.28Å; P376-K410 WeakPolarHBondContact O-CD 3.35Å; P376-K410 VanDerWaalsContact O-CE 3.27Å; P376-K410 WeakPolarHBondContact O-CE 3.18Å; P376-K410 PolarHBondContact O-NZ 3.44Å
377	N	96.1	Very high	96	Very high	67 Å²	67	57 Å²	57	36%	0.358	30%	0.3	S	S	.	.	S	Bend	trans	-93.7	-21.6	174.3	-71.1	-27.7	0	0	0	113.3	L409 K410 V440	N377-L409 CarbonylContact O-C 3.54Å; N377-L409 WeakPolarHBondContact O-CA 3.08Å; N377-K410 PolarHBondContact O-N 3.19Å; N377-K410 VanDerWaalsContact OD1-CE 3.29Å; N377-K410 WeakPolarHBondContact OD1-CE 3.42Å; N377-V440 PolarHBondContact OD1-O 3.26Å
378	I	97.1	Very high	95.7	Very high	83 Å²	83	50.4 Å²	50.4	43%	0.426	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	130.9	-175.2	-64.9	165.2	0	0	0	107.8	F400 F407 L409	I378-F400 HydrophobicContact CD1-CZ 4.07Å; I378-F400 HydrophobicContact CG1-CZ 4.24Å; I378-F400 HydrophobicContact CG2-CE1 4.36Å; I378-F400 HydrophobicContact CG2-CZ 3.68Å; I378-F407 HydrophobicContact CG2-CB 4Å; I378-F407 HydrophobicContact CG2-CD1 3.83Å; I378-F407 HydrophobicContact CG2-CG 4.3Å; I378-L409 HydrophobicContact CD1-CD2 4.46Å; I378-L409 HydrophobicContact CG1-CD2 3.68Å
379	Y	97.2	Very high	95.3	Very high	29 Å²	29	48.6 Å²	48.6	11%	0.114	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	151.4	176.4	-69	-87.5	0	0	0	111.1	P376 L383 W384 F407 A408 K410 L419	P376-Y379 HydrophobicContact CB-CE1 4.22Å; P376-Y379 HydrophobicContact CB-CE2 4.12Å; P376-Y379 WeakPolarHBondContact CD-OH 3.43Å; P376-Y379 HydrophobicContact CG-CE1 4.3Å; P376-Y379 WeakPolarHBondContact O-CE2 3.28Å; Y379-L383 HydrophobicContact CD1-CD2 3.33Å; Y379-L383 HydrophobicContact CD2-CD2 4.13Å; Y379-L383 HydrophobicContact CE1-CD2 3.76Å; Y379-L383 HydrophobicContact CE2-CD2 4.49Å; Y379-L383 HydrophobicContact CG-CD2 3.51Å; Y379-W384 HydrophobicContact CD2-CH2 4.09Å; Y379-W384 AromaticContact CD2-CZ2 3.7Å; Y379-W384 HydrophobicContact CD2-CZ2 3.7Å; Y379-W384 HydrophobicContact CG-CZ2 4.09Å; Y379-F407 CarbonylContact O-C 3.53Å; Y379-F407 WeakPolarHBondContact O-CA 3.27Å; Y379-A408 PolarHBondContact N-O 2.88Å; Y379-A408 PolarHBondContact O-N 2.69Å; Y379-K410 HydrophobicContact CD2-CB 4.2Å; Y379-K410 HydrophobicContact CE2-CB 4.25Å; Y379-K410 HydrophobicContact CE2-CD 4.29Å; Y379-L419 HydrophobicContact CE1-CD1 4.48Å
380	N	97.2	Very high	95.1	Very high	29 Å²	29	49.3 Å²	49.3	16%	0.155	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	141.3	167.4	-176.1	-65.5	0	0	0	110.1	K382 L383 E405 F407	N380-K382 PolarHBondContact O-N 3.37Å; N380-K382 VanDerWaalsContact O-N 3.09Å; N380-K382 VanDerWaalsContact OD1-CB 3.23Å; N380-K382 WeakPolarHBondContact OD1-CB 3.43Å; N380-K382 WeakPolarHBondContact OD1-CD 3.44Å; N380-K382 WeakPolarHBondContact OD1-CG 3.34Å; N380-K382 PolarHBondContact OD1-N 2.74Å; N380-L383 WeakPolarHBondContact O-CB 3.34Å; N380-L383 PolarHBondContact O-N 2.79Å; N380-E405 VanDerWaalsContact ND2-CD 3.28Å; N380-E405 PolarHBondContact ND2-OE2 2.71Å; N380-F407 HydrophobicContact CB-CD1 4.3Å; N380-F407 HydrophobicContact CB-CE1 4Å; N380-F407 HydrophobicContact CB-CZ 4.42Å
381	S	95.6	Very high	94.5	Very high	8 Å²	8	53.7 Å²	53.7	6%	0.056	28%	0.276	C	S	.	.	H	α-helix	trans	-57.4	-25.6	-178	65.8	0	0	0	0	114.2	L383 W384 M385 T406	S381-L383 PolarHBondContact O-N 2.67Å; S381-W384 WeakPolarHBondContact O-CB 3.14Å; S381-W384 PolarHBondContact O-N 2.72Å; S381-M385 WeakPolarHBondContact O-CG 3.22Å; S381-M385 PolarHBondContact O-N 3.28Å; S381-T406 VanDerWaalsContact CB-O 3.29Å; S381-T406 WeakPolarHBondContact CB-O 3.36Å; S381-T406 PolarHBondContact N-O 3.07Å; S381-T406 PolarHBondContact OG-O 2.87Å
382	K	96.4	Very high	93.8	Very high	118 Å²	118	54 Å²	54	51%	0.513	28%	0.277	S	S	.	.	H	α-helix	trans	-52.1	-37.3	173.1	-69.1	167.5	-167.7	163.4	0	112.3	N380 W384 M385 T386 E405	N380-K382 PolarHBondContact O-N 3.37Å; N380-K382 VanDerWaalsContact O-N 3.09Å; N380-K382 VanDerWaalsContact OD1-CB 3.23Å; N380-K382 WeakPolarHBondContact OD1-CB 3.43Å; N380-K382 WeakPolarHBondContact OD1-CD 3.44Å; N380-K382 WeakPolarHBondContact OD1-CG 3.34Å; N380-K382 PolarHBondContact OD1-N 2.74Å; K382-W384 VanDerWaalsContact C-N 3.33Å; K382-W384 PolarHBondContact O-N 3.01Å; K382-M385 PolarHBondContact O-N 3.44Å; K382-T386 PolarHBondContact O-N 2.82Å; K382-T386 PolarHBondContact O-OG1 3.12Å; K382-T386 VanDerWaalsContact O-OG1 3.08Å; K382-E405 IonicContact NZ-OE1 3.82Å; K382-E405 PolarHBondContact NZ-OE1 2.82Å
383	L	96.9	Very high	93.1	Very high	18 Å²	18	52.4 Å²	52.4	9%	0.094	27%	0.267	C	S	.	.	H	α-helix	trans	-60.1	-45.1	176.7	-179.2	63.7	0	0	0	111.5	Y379 N380 S381 M385 T386 S387 P415 L419 F572	Y379-L383 HydrophobicContact CD1-CD2 3.33Å; Y379-L383 HydrophobicContact CD2-CD2 4.13Å; Y379-L383 HydrophobicContact CE1-CD2 3.76Å; Y379-L383 HydrophobicContact CE2-CD2 4.49Å; Y379-L383 HydrophobicContact CG-CD2 3.51Å; N380-L383 WeakPolarHBondContact O-CB 3.34Å; N380-L383 PolarHBondContact O-N 2.79Å; S381-L383 PolarHBondContact O-N 2.67Å; L383-M385 VanDerWaalsContact C-N 3.34Å; L383-T386 PolarHBondContact O-N 3.23Å; L383-S387 WeakPolarHBondContact O-CB 3.25Å; L383-S387 PolarHBondContact O-N 2.79Å; L383-S387 PolarHBondContact O-OG 3.29Å; L383-P415 HydrophobicContact CD1-CB 3.99Å; L383-P415 HydrophobicContact CD2-CB 3.96Å; L383-P415 HydrophobicContact CG-CB 3.83Å; L383-L419 HydrophobicContact CD1-CD1 3.84Å; L383-L419 HydrophobicContact CD1-CD2 4.22Å; L383-L419 HydrophobicContact CD1-CG 4.04Å; L383-L419 HydrophobicContact CD2-CD1 4.38Å; L383-F572 HydrophobicContact CD1-CE1 3.58Å; L383-F572 HydrophobicContact CD1-CZ 3.63Å
384	W	94.9	Very high	92.8	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-71.1	-33.3	-179.6	-47.7	123.5	0	0	0	111.3	Y379 S381 K382 S387 G388 H389 W390 M397 K410 M412 P415	Y379-W384 HydrophobicContact CD2-CH2 4.09Å; Y379-W384 AromaticContact CD2-CZ2 3.7Å; Y379-W384 HydrophobicContact CD2-CZ2 3.7Å; Y379-W384 HydrophobicContact CG-CZ2 4.09Å; S381-W384 WeakPolarHBondContact O-CB 3.14Å; S381-W384 PolarHBondContact O-N 2.72Å; K382-W384 VanDerWaalsContact C-N 3.33Å; K382-W384 PolarHBondContact O-N 3.01Å; W384-S387 WeakPolarHBondContact CA-OG 3.43Å; W384-S387 PolarHBondContact O-OG 2.97Å; W384-G388 CarbonylContact O-C 3.56Å; W384-G388 PolarHBondContact O-N 3.03Å; W384-H389 PolarHBondContact O-N 3.03Å; W384-W390 HydrophobicContact CB-CB 4.03Å; W384-W390 HydrophobicContact CB-CE3 4.01Å; W384-W390 HydrophobicContact CG-CE3 4.47Å; W384-W390 PolarHBondContact O-N 2.77Å; W384-W390 VanDerWaalsContact O-N 3.07Å; W384-M397 HydrophobicContact CB-CE 4.35Å; W384-M397 HydrophobicContact CD2-CE 3.75Å; W384-M397 HydrophobicContact CG-CE 3.59Å; W384-K410 HydrophobicContact CH2-CB 3.54Å; W384-K410 HydrophobicContact CZ2-CB 3.79Å; W384-M412 HydrophobicContact CZ3-CG 4.4Å; W384-P415 HydrophobicContact CE3-CB 4.32Å; W384-P415 HydrophobicContact CE3-CG 4Å; W384-P415 HydrophobicContact CZ3-CB 3.93Å; W384-P415 HydrophobicContact CZ3-CG 3.64Å
385	M	93.8	Very high	92.3	Very high	76 Å²	76	55 Å²	55	37%	0.374	27%	0.274	S	S	.	.	H	α-helix	trans	-65.5	-46.2	172.9	-64.3	174.4	-172.6	0	0	111.7	S381 K382 L383 S387 G388 W390	S381-M385 WeakPolarHBondContact O-CG 3.22Å; S381-M385 PolarHBondContact O-N 3.28Å; K382-M385 PolarHBondContact O-N 3.44Å; L383-M385 VanDerWaalsContact C-N 3.34Å; M385-S387 PolarHBondContact O-N 2.99Å; M385-G388 PolarHBondContact O-N 3.06Å; M385-G388 VanDerWaalsContact O-N 3.16Å; M385-W390 HydrophobicContact CB-CB 4.47Å; M385-W390 HydrophobicContact CE-CD2 4.39Å; M385-W390 HydrophobicContact CE-CG 4.36Å; M385-W390 HydrophobicContact CG-CB 3.83Å; M385-W390 HydrophobicContact CG-CG 3.86Å
386	T	94.7	Very high	92	Very high	64 Å²	64	57.2 Å²	57.2	39%	0.393	29%	0.285	S	S	.	.	H	α-helix	trans	-57.6	-50.7	175.2	-60.9	0	0	0	0	110.3	K382 L383 G388 R571 F572	K382-T386 PolarHBondContact O-N 2.82Å; K382-T386 PolarHBondContact O-OG1 3.12Å; K382-T386 VanDerWaalsContact O-OG1 3.08Å; L383-T386 PolarHBondContact O-N 3.23Å; T386-G388 PolarHBondContact O-N 3.32Å; T386-G388 VanDerWaalsContact O-N 3.16Å; T386-R571 WeakPolarHBondContact CG2-O 3.4Å; T386-R571 WeakPolarHBondContact O-CB 3.49Å; T386-R571 WeakPolarHBondContact O-CD 3.28Å; T386-R571 PolarHBondContact O-NH1 3.16Å; T386-F572 HydrophobicContact CG2-CD1 4.32Å; T386-F572 HydrophobicContact CG2-CD2 4.35Å; T386-F572 HydrophobicContact CG2-CE1 4.22Å; T386-F572 HydrophobicContact CG2-CE2 4.25Å; T386-F572 HydrophobicContact CG2-CG 4.37Å; T386-F572 HydrophobicContact CG2-CZ 4.18Å
387	S	91.6	Very high	91.9	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.014	26%	0.262	C	S	.	.	H	α-helix	trans	-65.8	-16.9	179.7	71.9	0	0	0	0	114.6	L383 W384 M385 H389 R571	L383-S387 WeakPolarHBondContact O-CB 3.25Å; L383-S387 PolarHBondContact O-N 2.79Å; L383-S387 PolarHBondContact O-OG 3.29Å; W384-S387 WeakPolarHBondContact CA-OG 3.43Å; W384-S387 PolarHBondContact O-OG 2.97Å; M385-S387 PolarHBondContact O-N 2.99Å; S387-H389 VanDerWaalsContact C-N 3.3Å; S387-H389 VanDerWaalsContact CB-ND1 3.34Å; S387-H389 WeakPolarHBondContact CB-ND1 3.5Å; S387-H389 PolarHBondContact OG-N 3.47Å; S387-H389 PolarHBondContact OG-ND1 3.23Å; S387-R571 WeakPolarHBondContact O-CD 3.4Å
388	G	88.7	Confident	91.9	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.01	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.3	-5.8	-174.5	0	0	0	0	0	114.7	W384 M385 T386 W390 Q391 H392 R571	W384-G388 CarbonylContact O-C 3.56Å; W384-G388 PolarHBondContact O-N 3.03Å; M385-G388 PolarHBondContact O-N 3.06Å; M385-G388 VanDerWaalsContact O-N 3.16Å; T386-G388 PolarHBondContact O-N 3.32Å; T386-G388 VanDerWaalsContact O-N 3.16Å; G388-W390 VanDerWaalsContact C-N 3.31Å; G388-W390 PolarHBondContact O-N 2.99Å; G388-Q391 VanDerWaalsContact C-OE1 3.23Å; G388-Q391 VanDerWaalsContact CA-OE1 3.29Å; G388-Q391 PolarHBondContact O-OE1 3.2Å; G388-Q391 VanDerWaalsContact O-OE1 3.07Å; G388-H392 PolarHBondContact O-CD2 3.44Å; G388-H392 VanDerWaalsContact O-CD2 3.31Å; G388-R571 VanDerWaalsContact CA-NH1 3.34Å
389	H	88.4	Confident	91.8	Very high	13 Å²	13	52.6 Å²	52.6	6%	0.06	26%	0.259	C	S	.	.	H	α-helix	trans	-69.7	-27.6	-179.4	-69.6	92.2	0	0	0	113	W384 S387 Q391 H392 Y393 M412	W384-H389 PolarHBondContact O-N 3.03Å; S387-H389 VanDerWaalsContact C-N 3.3Å; S387-H389 VanDerWaalsContact CB-ND1 3.34Å; S387-H389 WeakPolarHBondContact CB-ND1 3.5Å; S387-H389 PolarHBondContact OG-N 3.47Å; S387-H389 PolarHBondContact OG-ND1 3.23Å; H389-Q391 VanDerWaalsContact C-N 3.29Å; H389-Q391 PolarHBondContact O-N 3.5Å; H389-H392 PolarHBondContact O-N 3Å; H389-Y393 WeakPolarHBondContact O-CA 3.33Å; H389-Y393 WeakPolarHBondContact O-CB 3.24Å; H389-Y393 PolarHBondContact O-N 3.16Å; H389-M412 WeakPolarHBondContact CD2-CE 2.89Å; H389-M412 PolarHBondContact CD2-SD 3.39Å; H389-M412 VanDerWaalsContact CE1-SD 3.59Å; H389-M412 PolarHBondContact NE2-SD 2.66Å
390	W	90.6	Very high	91.7	Very high	57 Å²	57	55.4 Å²	55.4	22%	0.216	27%	0.272	C	S	.	.	H	α-helix	trans	-61	-40.6	178.8	-168.7	-97.8	0	0	0	112	W384 M385 G388 H392 S394 M397 T406 A408	W384-W390 HydrophobicContact CB-CB 4.03Å; W384-W390 HydrophobicContact CB-CE3 4.01Å; W384-W390 HydrophobicContact CG-CE3 4.47Å; W384-W390 PolarHBondContact O-N 2.77Å; W384-W390 VanDerWaalsContact O-N 3.07Å; M385-W390 HydrophobicContact CB-CB 4.47Å; M385-W390 HydrophobicContact CE-CD2 4.39Å; M385-W390 HydrophobicContact CE-CG 4.36Å; M385-W390 HydrophobicContact CG-CB 3.83Å; M385-W390 HydrophobicContact CG-CG 3.86Å; G388-W390 VanDerWaalsContact C-N 3.31Å; G388-W390 PolarHBondContact O-N 2.99Å; W390-H392 VanDerWaalsContact C-N 3.3Å; W390-H392 PolarHBondContact O-N 3.34Å; W390-S394 WeakPolarHBondContact O-CB 3.28Å; W390-S394 PolarHBondContact O-N 3.21Å; W390-S394 PolarHBondContact O-OG 3.37Å; W390-M397 HydrophobicContact CE3-SD 4.44Å; W390-M397 HydrophobicContact CZ3-CE 4.48Å; W390-T406 HydrophobicContact CH2-CG2 3.84Å; W390-T406 HydrophobicContact CZ2-CG2 4.46Å; W390-A408 HydrophobicContact CZ3-CB 4.45Å
391	Q	86.6	Confident	91.7	Very high	115 Å²	115	61.2 Å²	61.2	54%	0.537	30%	0.298	S	S	.	.	H	α-helix	trans	-69.9	-26.9	-178	-66.1	80.7	-3.4	0	0	112.9	G388 H389	G388-Q391 VanDerWaalsContact C-OE1 3.23Å; G388-Q391 VanDerWaalsContact CA-OE1 3.29Å; G388-Q391 PolarHBondContact O-OE1 3.2Å; G388-Q391 VanDerWaalsContact O-OE1 3.07Å; H389-Q391 VanDerWaalsContact C-N 3.29Å; H389-Q391 PolarHBondContact O-N 3.5Å
392	H	80.6	Confident	91.7	Very high	123 Å²	123	62.3 Å²	62.3	57%	0.569	31%	0.308	S	S	*	.	H	α-helix	trans	-110.7	-18.6	-173.5	-63.8	-62.1	0	0	0	114.2	G388 H389 W390	G388-H392 PolarHBondContact O-CD2 3.44Å; G388-H392 VanDerWaalsContact O-CD2 3.31Å; H389-H392 PolarHBondContact O-N 3Å; W390-H392 VanDerWaalsContact C-N 3.3Å; W390-H392 PolarHBondContact O-N 3.34Å
393	Y	82.7	Confident	91.5	Very high	53 Å²	53	65.5 Å²	65.5	21%	0.208	32%	0.324	C	S	.	.	H	α-helix	trans	-134.6	-4.3	-166.8	-146.5	-102.8	0	0	0	114.6	H389 E395 N396 M397 P411 R443	H389-Y393 WeakPolarHBondContact O-CA 3.33Å; H389-Y393 WeakPolarHBondContact O-CB 3.24Å; H389-Y393 PolarHBondContact O-N 3.16Å; Y393-E395 VanDerWaalsContact C-N 3.27Å; Y393-E395 PolarHBondContact O-N 2.67Å; Y393-N396 HydrophobicContact CD1-CB 4.08Å; Y393-N396 HydrophobicContact CE1-CB 3.81Å; Y393-N396 HydrophobicContact CE2-CB 4.35Å; Y393-N396 HydrophobicContact CG-CB 4.46Å; Y393-N396 CarbonylContact O-C 3.53Å; Y393-N396 WeakPolarHBondContact O-CA 3.05Å; Y393-N396 PolarHBondContact O-N 2.9Å; Y393-M397 HydrophobicContact CD1-CG 3.99Å; Y393-M397 WeakPolarHBondContact O-CG 3.47Å; Y393-M397 PolarHBondContact O-N 3.48Å; Y393-P411 HydrophobicContact CD1-CB 3.98Å; Y393-P411 HydrophobicContact CD1-CG 4.18Å; Y393-P411 HydrophobicContact CE1-CB 3.8Å; Y393-P411 HydrophobicContact CE1-CG 4.49Å; Y393-R443 HydrophobicContact CE1-CG 4.16Å; Y393-R443 WeakPolarHBondContact OH-CD 3.06Å; Y393-R443 PolarHBondContact OH-NE 3.01Å
394	S	88.8	Confident	91.4	Very high	38 Å²	38	73.9 Å²	73.9	27%	0.266	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-56.1	-36.5	-176.5	49.3	0	0	0	0	114	W390 N396 M397	W390-S394 WeakPolarHBondContact O-CB 3.28Å; W390-S394 PolarHBondContact O-N 3.21Å; W390-S394 PolarHBondContact O-OG 3.37Å; S394-N396 PolarHBondContact O-N 3.22Å; S394-M397 PolarHBondContact O-N 3.37Å
395	E	87.8	Confident	91.4	Very high	173 Å²	173	77.4 Å²	77.4	81%	0.808	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-60.3	-28.5	176.5	-62.6	-178.3	175.7	0	0	112.9	Y393	Y393-E395 VanDerWaalsContact C-N 3.27Å; Y393-E395 PolarHBondContact O-N 2.67Å
396	N	89.6	Confident	91.6	Very high	57 Å²	57	76.5 Å²	76.5	31%	0.305	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-98.6	13.2	179.2	-63.6	-50.6	0	0	0	112.7	Y393 S394 R443 N444	Y393-N396 HydrophobicContact CD1-CB 4.08Å; Y393-N396 HydrophobicContact CE1-CB 3.81Å; Y393-N396 HydrophobicContact CE2-CB 4.35Å; Y393-N396 HydrophobicContact CG-CB 4.46Å; Y393-N396 CarbonylContact O-C 3.53Å; Y393-N396 WeakPolarHBondContact O-CA 3.05Å; Y393-N396 PolarHBondContact O-N 2.9Å; S394-N396 PolarHBondContact O-N 3.22Å; N396-R443 CarbonylContact O-C 3.56Å; N396-N444 PolarHBondContact O-N 3.02Å
397	M	94.4	Very high	91.7	Very high	7 Å²	7	75.5 Å²	75.5	3%	0.034	37%	0.366	C	S	.	.	S	Bend	trans	-106.5	145.6	178.2	-68.4	175.4	65.5	0	0	111.1	W384 W390 Y393 S394 S399 A408 P411	W384-M397 HydrophobicContact CB-CE 4.35Å; W384-M397 HydrophobicContact CD2-CE 3.75Å; W384-M397 HydrophobicContact CG-CE 3.59Å; W390-M397 HydrophobicContact CE3-SD 4.44Å; W390-M397 HydrophobicContact CZ3-CE 4.48Å; Y393-M397 HydrophobicContact CD1-CG 3.99Å; Y393-M397 WeakPolarHBondContact O-CG 3.47Å; Y393-M397 PolarHBondContact O-N 3.48Å; S394-M397 PolarHBondContact O-N 3.37Å; M397-S399 PolarHBondContact O-N 3.04Å; M397-A408 HydrophobicContact CE-CB 3.59Å; M397-P411 HydrophobicContact CE-CG 3.94Å; M397-P411 HydrophobicContact CG-CB 4.21Å; M397-P411 HydrophobicContact CG-CG 3.92Å; M397-P411 HydrophobicContact SD-CG 3.97Å
398	F	95.6	Very high	92	Very high	60 Å²	60	75.4 Å²	75.4	26%	0.263	37%	0.365	S	S	.	.			trans	-83.5	109.2	165.1	-69.8	-77.6	0	0	0	108.7	A408 L409 H442 R443 N444 R457	F398-A408 CarbonylContact O-C 3.48Å; F398-A408 VanDerWaalsContact O-CA 3.24Å; F398-A408 WeakPolarHBondContact O-CA 3.37Å; F398-A408 WeakPolarHBondContact O-CB 3.49Å; F398-L409 HydrophobicContact CB-CB 4.31Å; F398-L409 HydrophobicContact CB-CD1 3.92Å; F398-L409 HydrophobicContact CB-CG 4.41Å; F398-L409 HydrophobicContact CG-CD1 4.47Å; F398-L409 PolarHBondContact O-N 2.9Å; F398-H442 HydrophobicContact CD2-CB 3.87Å; F398-H442 HydrophobicContact CE2-CB 4.37Å; F398-R443 VanDerWaalsContact CE2-C 3.49Å; F398-R443 WeakPolarHBondContact CE2-O 3.36Å; F398-N444 HydrophobicContact CD1-CB 4.23Å; F398-N444 HydrophobicContact CD2-CB 4.11Å; F398-N444 HydrophobicContact CE1-CB 4Å; F398-N444 WeakPolarHBondContact CE1-OD1 3.48Å; F398-N444 HydrophobicContact CE2-CB 3.91Å; F398-N444 HydrophobicContact CG-CB 4.29Å; F398-N444 HydrophobicContact CZ-CB 3.84Å; F398-N444 WeakPolarHBondContact CZ-OD1 3.15Å; F398-R457 HydrophobicContact CE2-CB 4.23Å; F398-R457 HydrophobicContact CE2-CG 4.41Å; F398-R457 HydrophobicContact CZ-CB 4.37Å; F398-R457 HydrophobicContact CZ-CG 4.21Å
399	S	95.5	Very high	92.4	Very high	64 Å²	64	77.1 Å²	77.1	45%	0.448	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	149.6	176.4	59.2	0	0	0	0	112.1	M397 F407	M397-S399 PolarHBondContact O-N 3.04Å; S399-F407 CarbonylContact C-O 3.55Å; S399-F407 WeakPolarHBondContact CA-O 3.45Å; S399-F407 WeakPolarHBondContact CB-O 3.39Å
400	F	96.5	Very high	92.7	Very high	88 Å²	88	76.5 Å²	76.5	39%	0.386	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	157.4	176.9	57	-88.7	0	0	0	110	I378 A402 F407	I378-F400 HydrophobicContact CD1-CZ 4.07Å; I378-F400 HydrophobicContact CG1-CZ 4.24Å; I378-F400 HydrophobicContact CG2-CE1 4.36Å; I378-F400 HydrophobicContact CG2-CZ 3.68Å; F400-A402 HydrophobicContact CD2-CB 4.36Å; F400-A402 HydrophobicContact CE2-CB 4.24Å; F400-F407 HydrophobicContact CD2-CB 4.24Å; F400-F407 HydrophobicContact CE1-CB 4.34Å; F400-F407 HydrophobicContact CE2-CB 3.75Å; F400-F407 HydrophobicContact CZ-CB 3.81Å; F400-F407 PolarHBondContact N-O 3Å; F400-F407 PolarHBondContact O-N 2.7Å; F400-F407 VanDerWaalsContact O-O 3.12Å
401	E	96.5	Very high	92.9	Very high	150 Å²	150	73.8 Å²	73.8	70%	0.701	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	133.1	174.8	-166.9	-178.3	162.1	0	0	109.9	E405	E401-E405 WeakPolarHBondContact CA-O 3.49Å
402	A	95.1	Very high	93.3	Very high	32 Å²	32	69.5 Å²	69.5	26%	0.264	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	133.8	169.4	0	0	0	0	0	108.7	F400 K404 E405 F407	F400-A402 HydrophobicContact CD2-CB 4.36Å; F400-A402 HydrophobicContact CE2-CB 4.24Å; A402-K404 PolarHBondContact O-N 3.45Å; A402-E405 PolarHBondContact N-O 3.27Å; A402-E405 PolarHBondContact O-N 2.96Å; A402-F407 HydrophobicContact CB-CD2 3.76Å; A402-F407 HydrophobicContact CB-CE2 4.04Å; A402-F407 WeakPolarHBondContact O-CE2 3.42Å
403	E	93.1	Very high	94	Very high	184 Å²	184	63.7 Å²	63.7	86%	0.86	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	35.7	179.2	-56.3	-174.3	175.2	0	0	114.6	E405	E403-E405 PolarHBondContact O-N 3.31Å
404	K	93.9	Very high	94.6	Very high	195 Å²	195	61.7 Å²	61.7	85%	0.848	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	13.3	-175.3	-50	175.6	179.8	176.5	0	114.5	A402	A402-K404 PolarHBondContact O-N 3.45Å
405	E	95.9	Very high	94.9	Very high	74 Å²	74	59.9 Å²	59.9	35%	0.346	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	152.2	171.1	-61.1	-163.8	130.6	0	0	110.2	N380 K382 E401 A402 E403 F407	N380-E405 VanDerWaalsContact ND2-CD 3.28Å; N380-E405 PolarHBondContact ND2-OE2 2.71Å; K382-E405 IonicContact NZ-OE1 3.82Å; K382-E405 PolarHBondContact NZ-OE1 2.82Å; E401-E405 WeakPolarHBondContact CA-O 3.49Å; A402-E405 PolarHBondContact N-O 3.27Å; A402-E405 PolarHBondContact O-N 2.96Å; E403-E405 PolarHBondContact O-N 3.31Å; E405-F407 HydrophobicContact CB-CD2 4.42Å; E405-F407 HydrophobicContact CB-CE2 3.9Å
406	T	96.8	Very high	95.4	Very high	56 Å²	56	51.8 Å²	51.8	34%	0.344	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	124.2	174.3	-50.6	0	0	0	0	109.5	S381 W390	S381-T406 VanDerWaalsContact CB-O 3.29Å; S381-T406 WeakPolarHBondContact CB-O 3.36Å; S381-T406 PolarHBondContact N-O 3.07Å; S381-T406 PolarHBondContact OG-O 2.87Å; W390-T406 HydrophobicContact CH2-CG2 3.84Å; W390-T406 HydrophobicContact CZ2-CG2 4.46Å
407	F	97.6	Very high	95.8	Very high	43 Å²	43	49.1 Å²	49.1	19%	0.189	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	157.8	170.3	-72.6	-99	0	0	0	109.8	I378 Y379 N380 S399 F400 A402 E405	I378-F407 HydrophobicContact CG2-CB 4Å; I378-F407 HydrophobicContact CG2-CD1 3.83Å; I378-F407 HydrophobicContact CG2-CG 4.3Å; Y379-F407 CarbonylContact O-C 3.53Å; Y379-F407 WeakPolarHBondContact O-CA 3.27Å; N380-F407 HydrophobicContact CB-CD1 4.3Å; N380-F407 HydrophobicContact CB-CE1 4Å; N380-F407 HydrophobicContact CB-CZ 4.42Å; S399-F407 CarbonylContact C-O 3.55Å; S399-F407 WeakPolarHBondContact CA-O 3.45Å; S399-F407 WeakPolarHBondContact CB-O 3.39Å; F400-F407 HydrophobicContact CD2-CB 4.24Å; F400-F407 HydrophobicContact CE1-CB 4.34Å; F400-F407 HydrophobicContact CE2-CB 3.75Å; F400-F407 HydrophobicContact CZ-CB 3.81Å; F400-F407 PolarHBondContact N-O 3Å; F400-F407 PolarHBondContact O-N 2.7Å; F400-F407 VanDerWaalsContact O-O 3.12Å; A402-F407 HydrophobicContact CB-CD2 3.76Å; A402-F407 HydrophobicContact CB-CE2 4.04Å; A402-F407 WeakPolarHBondContact O-CE2 3.42Å; E405-F407 HydrophobicContact CB-CD2 4.42Å; E405-F407 HydrophobicContact CB-CE2 3.9Å
408	A	96.8	Very high	95.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	147.9	173.7	0	0	0	0	0	111.5	Y379 W390 M397 F398	Y379-A408 PolarHBondContact N-O 2.88Å; Y379-A408 PolarHBondContact O-N 2.69Å; W390-A408 HydrophobicContact CZ3-CB 4.45Å; M397-A408 HydrophobicContact CE-CB 3.59Å; F398-A408 CarbonylContact O-C 3.48Å; F398-A408 VanDerWaalsContact O-CA 3.24Å; F398-A408 WeakPolarHBondContact O-CA 3.37Å; F398-A408 WeakPolarHBondContact O-CB 3.49Å
409	L	97.1	Very high	96	Very high	38 Å²	38	49.7 Å²	49.7	20%	0.199	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	137.8	165.8	-68.2	170.6	0	0	0	109	N377 I378 F398 P411 H442	N377-L409 CarbonylContact O-C 3.54Å; N377-L409 WeakPolarHBondContact O-CA 3.08Å; I378-L409 HydrophobicContact CD1-CD2 4.46Å; I378-L409 HydrophobicContact CG1-CD2 3.68Å; F398-L409 HydrophobicContact CB-CB 4.31Å; F398-L409 HydrophobicContact CB-CD1 3.92Å; F398-L409 HydrophobicContact CB-CG 4.41Å; F398-L409 HydrophobicContact CG-CD1 4.47Å; F398-L409 PolarHBondContact O-N 2.9Å; L409-P411 WeakPolarHBondContact O-CD 3.19Å; L409-H442 HydrophobicContact CB-CB 3.9Å; L409-H442 HydrophobicContact CD1-CB 4.12Å
410	K	96.1	Very high	96.1	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.243	C	C	.	.			trans	-64	127.6	-178.6	61.3	170.4	173.4	-179.1	0	111.9	T375 P376 N377 Y379 W384 N413 V440 L441 H442	T375-K410 PolarHBondContact OG1-NZ 2.97Å; P376-K410 WeakPolarHBondContact O-CD 3.35Å; P376-K410 VanDerWaalsContact O-CE 3.27Å; P376-K410 WeakPolarHBondContact O-CE 3.18Å; P376-K410 PolarHBondContact O-NZ 3.44Å; N377-K410 PolarHBondContact O-N 3.19Å; N377-K410 VanDerWaalsContact OD1-CE 3.29Å; N377-K410 WeakPolarHBondContact OD1-CE 3.42Å; Y379-K410 HydrophobicContact CD2-CB 4.2Å; Y379-K410 HydrophobicContact CE2-CB 4.25Å; Y379-K410 HydrophobicContact CE2-CD 4.29Å; W384-K410 HydrophobicContact CH2-CB 3.54Å; W384-K410 HydrophobicContact CZ2-CB 3.79Å; K410-N413 WeakPolarHBondContact CE-OD1 3.34Å; K410-N413 PolarHBondContact NZ-OD1 3.32Å; K410-V440 WeakPolarHBondContact CE-O 3.47Å; K410-L441 HydrophobicContact CD-CD2 3.77Å; K410-L441 HydrophobicContact CG-CD2 3.81Å; K410-L441 WeakPolarHBondContact O-CA 3.18Å; K410-H442 PolarHBondContact O-N 3.25Å
411	P	94.9	Very high	96.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.225	C	C	.	.	S	Bend	trans	-88.5	-9.4	171.8	35.4	-35.6	0	0	0	113.4	Y393 M397 L409 H442 R443	Y393-P411 HydrophobicContact CD1-CB 3.98Å; Y393-P411 HydrophobicContact CD1-CG 4.18Å; Y393-P411 HydrophobicContact CE1-CB 3.8Å; Y393-P411 HydrophobicContact CE1-CG 4.49Å; M397-P411 HydrophobicContact CE-CG 3.94Å; M397-P411 HydrophobicContact CG-CB 4.21Å; M397-P411 HydrophobicContact CG-CG 3.92Å; M397-P411 HydrophobicContact SD-CG 3.97Å; L409-P411 WeakPolarHBondContact O-CD 3.19Å; P411-H442 VanDerWaalsContact CA-O 3.3Å; P411-H442 WeakPolarHBondContact CA-O 3.39Å; P411-R443 HydrophobicContact CB-CG 4.26Å; P411-R443 PolarHBondContact O-NE 3.41Å
412	M	94.5	Very high	96.2	Very high	25 Å²	25	42.6 Å²	42.6	12%	0.123	21%	0.214	C	C	.	.			trans	-162.8	161.3	-179.1	62	-168	74.9	0	0	110.9	W384 H389	W384-M412 HydrophobicContact CZ3-CG 4.4Å; H389-M412 WeakPolarHBondContact CD2-CE 2.89Å; H389-M412 PolarHBondContact CD2-SD 3.39Å; H389-M412 VanDerWaalsContact CE1-SD 3.59Å; H389-M412 PolarHBondContact NE2-SD 2.66Å
413	N	95.7	Very high	96.3	Very high	1 Å²	1	49 Å²	49	1%	0.005	24%	0.238	C	C	.	.	S	Bend	trans	-91.5	-20.9	-177.3	-57	-62.6	0	0	0	114.1	K410 G416 H417 L441 D463	K410-N413 WeakPolarHBondContact CE-OD1 3.34Å; K410-N413 PolarHBondContact NZ-OD1 3.32Å; N413-G416 PolarHBondContact O-N 3.26Å; N413-H417 PolarHBondContact O-N 2.9Å; N413-L441 WeakPolarHBondContact OD1-CD2 3.16Å; N413-D463 VanDerWaalsContact CB-OD2 3.32Å; N413-D463 WeakPolarHBondContact CB-OD2 3.36Å; N413-D463 WeakPolarHBondContact ND2-CB 3.26Å; N413-D463 PolarHBondContact ND2-OD2 2.95Å
414	C	94.6	Very high	96.4	Very high	11 Å²	11	45.7 Å²	45.7	7%	0.074	22%	0.217	C	C	.	.	H	α-helix	trans	-51.2	-49.1	-167.7	-12.7	0	0	0	0	114.5	G416 H417 C418 H465 L568 H591	C414-G416 VanDerWaalsContact C-N 3.26Å; C414-G416 PolarHBondContact O-N 2.81Å; C414-H417 PolarHBondContact O-N 3.03Å; C414-C418 PolarHBondContact O-N 3Å; C414-C418 PolarHBondContact O-SG 2.92Å; C414-H465 VanDerWaalsContact CA-CE1 3.48Å; C414-H465 WeakPolarHBondContact CA-CE1 3.49Å; C414-H465 WeakPolarHBondContact CB-NE2 3.48Å; C414-H465 PolarHBondContact SG-NE2 3.36Å; C414-L568 HydrophobicContact CB-CD1 3.91Å; C414-H591 PolarHBondContact SG-ND1 2.78Å
415	P	95.9	Very high	96.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-59.9	-33.8	178.7	-31.1	42.4	0	0	0	114	L383 W384 C418 L419 F572	L383-P415 HydrophobicContact CD1-CB 3.99Å; L383-P415 HydrophobicContact CD2-CB 3.96Å; L383-P415 HydrophobicContact CG-CB 3.83Å; W384-P415 HydrophobicContact CE3-CB 4.32Å; W384-P415 HydrophobicContact CE3-CG 4Å; W384-P415 HydrophobicContact CZ3-CB 3.93Å; W384-P415 HydrophobicContact CZ3-CG 3.64Å; P415-C418 PolarHBondContact O-N 2.78Å; P415-L419 PolarHBondContact O-N 3.37Å; P415-F572 HydrophobicContact CB-CZ 3.94Å
416	G	96.8	Very high	96.3	Very high	3 Å²	3	39.5 Å²	39.5	3%	0.031	20%	0.2	C	C	.	.	H	α-helix	trans	-66.6	-38.4	174.3	0	0	0	0	0	112.2	N413 C414 L419 M420	N413-G416 PolarHBondContact O-N 3.26Å; C414-G416 VanDerWaalsContact C-N 3.26Å; C414-G416 PolarHBondContact O-N 2.81Å; G416-L419 WeakPolarHBondContact O-CB 3.47Å; G416-L419 PolarHBondContact O-N 3.07Å; G416-M420 WeakPolarHBondContact O-CG 3.22Å; G416-M420 PolarHBondContact O-N 3.41Å; G416-M420 VanDerWaalsContact O-N 3.14Å
417	H	97.8	Very high	96.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-70.7	-31.8	177.6	-66.3	-170.5	0	0	0	111.9	N413 C414 M420 F421 M435 D437 H465 F467	N413-H417 PolarHBondContact O-N 2.9Å; C414-H417 PolarHBondContact O-N 3.03Å; H417-M420 PolarHBondContact O-N 2.85Å; H417-F421 PolarHBondContact O-N 3.17Å; H417-M435 HydrophobicContact CB-SD 4.25Å; H417-D437 IonicContact CD2-OD2 2.68Å; H417-D437 WeakPolarHBondContact CE1-CB 3.27Å; H417-D437 IonicContact CE1-OD2 2.66Å; H417-D437 WeakPolarHBondContact NE2-CB 3.35Å; H417-D437 IonicContact NE2-OD2 2.77Å; H417-D437 PolarHBondContact NE2-OD2 2.88Å; H417-H465 HydrophobicContact CB-CB 4.39Å; H417-H465 AromaticContact CE1-ND1 3.45Å; H417-H465 PolarHBondContact CE1-ND1 3.44Å; H417-H465 AromaticContact CG-ND1 3.65Å; H417-H465 AromaticContact ND1-CE1 3.87Å; H417-H465 AromaticContact ND1-CG 3.57Å; H417-H465 AromaticContact ND1-ND1 2.81Å; H417-H465 PolarHBondContact ND1-ND1 3.39Å; H417-F467 HydrophobicContact CB-CE2 4.35Å; H417-F467 HydrophobicContact CB-CZ 4.2Å
418	C	98	Very high	96.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-59.8	-44.6	170.2	-64.9	0	0	0	0	111.8	C414 P415 M420 F421 D422 F572 L574	C414-C418 PolarHBondContact O-N 3Å; C414-C418 PolarHBondContact O-SG 2.92Å; P415-C418 PolarHBondContact O-N 2.78Å; C418-M420 VanDerWaalsContact C-N 3.29Å; C418-M420 PolarHBondContact O-N 2.86Å; C418-F421 WeakPolarHBondContact O-CB 3.48Å; C418-F421 PolarHBondContact O-N 2.89Å; C418-D422 WeakPolarHBondContact O-CB 3.14Å; C418-D422 PolarHBondContact O-N 3.32Å; C418-F572 HydrophobicContact CB-CB 4.23Å; C418-F572 HydrophobicContact CB-CD1 3.69Å; C418-F572 HydrophobicContact CB-CD2 3.96Å; C418-F572 HydrophobicContact CB-CE1 3.99Å; C418-F572 HydrophobicContact CB-CE2 4.24Å; C418-F572 HydrophobicContact CB-CG 3.69Å; C418-F572 HydrophobicContact CB-CZ 4.26Å; C418-L574 HydrophobicContact CB-CD1 4.16Å; C418-L574 HydrophobicContact CB-CD2 4.44Å
419	L	97.9	Very high	96	Very high	79 Å²	79	49.4 Å²	49.4	41%	0.414	24%	0.236	S	C	.	.	H	α-helix	trans	-61.7	-38.1	175.1	-62.7	178.4	0	0	0	111.9	Y379 L383 P415 G416 D422 H423 F572	Y379-L419 HydrophobicContact CE1-CD1 4.48Å; L383-L419 HydrophobicContact CD1-CD1 3.84Å; L383-L419 HydrophobicContact CD1-CD2 4.22Å; L383-L419 HydrophobicContact CD1-CG 4.04Å; L383-L419 HydrophobicContact CD2-CD1 4.38Å; P415-L419 PolarHBondContact O-N 3.37Å; G416-L419 WeakPolarHBondContact O-CB 3.47Å; G416-L419 PolarHBondContact O-N 3.07Å; L419-D422 PolarHBondContact O-N 2.98Å; L419-H423 PolarHBondContact O-N 2.97Å; L419-F572 HydrophobicContact CD2-CD1 4.24Å; L419-F572 HydrophobicContact CD2-CE1 3.96Å; L419-F572 HydrophobicContact CG-CE1 4.33Å
420	M	97.4	Very high	95.8	Very high	65 Å²	65	50.8 Å²	50.8	32%	0.32	24%	0.241	S	C	.	.	H	α-helix	trans	-67.7	-38.3	176.3	-67.5	-173.3	69.3	0	0	112.4	V373 T375 G416 H417 C418 R426 M435	V373-M420 HydrophobicContact CB-CE 3.77Å; V373-M420 HydrophobicContact CB-SD 3.97Å; V373-M420 HydrophobicContact CG1-CE 3.54Å; V373-M420 HydrophobicContact CG1-SD 4.21Å; V373-M420 HydrophobicContact CG2-CE 4.41Å; V373-M420 HydrophobicContact CG2-SD 4Å; T375-M420 HydrophobicContact CG2-SD 3.78Å; G416-M420 WeakPolarHBondContact O-CG 3.22Å; G416-M420 PolarHBondContact O-N 3.41Å; G416-M420 VanDerWaalsContact O-N 3.14Å; H417-M420 PolarHBondContact O-N 2.85Å; C418-M420 VanDerWaalsContact C-N 3.29Å; C418-M420 PolarHBondContact O-N 2.86Å; M420-R426 PolarHBondContact O-NH2 2.77Å; M420-M435 HydrophobicContact CB-CE 4.14Å; M420-M435 HydrophobicContact CB-SD 4.06Å
421	F	97.6	Very high	95.8	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.009	24%	0.244	C	C	.	.	H	α-helix	trans	-60.2	-50.5	173.2	-174.9	-83.6	0	0	0	110.2	H417 C418 H423 R426 L431 L433 F467 L574 S575 P587	H417-F421 PolarHBondContact O-N 3.17Å; C418-F421 WeakPolarHBondContact O-CB 3.48Å; C418-F421 PolarHBondContact O-N 2.89Å; F421-H423 VanDerWaalsContact C-N 3.3Å; F421-H423 PolarHBondContact O-N 3.28Å; F421-R426 HydrophobicContact CD1-CG 4.18Å; F421-R426 HydrophobicContact CD2-CG 4.38Å; F421-R426 HydrophobicContact CE1-CB 4.34Å; F421-R426 HydrophobicContact CE1-CG 3.76Å; F421-R426 HydrophobicContact CE2-CB 4.5Å; F421-R426 HydrophobicContact CE2-CG 3.96Å; F421-R426 HydrophobicContact CG-CG 4.49Å; F421-R426 HydrophobicContact CZ-CB 3.96Å; F421-R426 HydrophobicContact CZ-CG 3.64Å; F421-R426 PolarHBondContact O-NE 2.93Å; F421-R426 PolarHBondContact O-NH2 3.46Å; F421-L431 HydrophobicContact CE2-CD2 4.18Å; F421-L433 HydrophobicContact CD2-CD2 3.98Å; F421-L433 HydrophobicContact CE2-CD2 4.35Å; F421-F467 HydrophobicContact CB-CD1 4.27Å; F421-F467 HydrophobicContact CB-CE1 3.88Å; F421-F467 HydrophobicContact CB-CE2 4.42Å; F421-F467 HydrophobicContact CB-CZ 3.97Å; F421-F467 HydrophobicContact CD2-CB 3.77Å; F421-F467 AromaticContact CD2-CD1 3.42Å; F421-F467 HydrophobicContact CD2-CD1 3.42Å; F421-F467 VanDerWaalsContact CD2-CD1 3.42Å; F421-F467 AromaticContact CD2-CD2 3.9Å; F421-F467 HydrophobicContact CD2-CD2 3.9Å; F421-F467 AromaticContact CD2-CE1 3.93Å; F421-F467 HydrophobicContact CD2-CE1 3.93Å; F421-F467 HydrophobicContact CD2-CE2 4.36Å; F421-F467 AromaticContact CD2-CG 3.41Å; F421-F467 HydrophobicContact CD2-CG 3.41Å; F421-F467 VanDerWaalsContact CD2-CG 3.41Å; F421-F467 HydrophobicContact CD2-CZ 4.38Å; F421-F467 HydrophobicContact CE2-CB 3.59Å; F421-F467 AromaticContact CE2-CD1 3.87Å; F421-F467 HydrophobicContact CE2-CD1 3.87Å; F421-F467 AromaticContact CE2-CG 3.78Å; F421-F467 HydrophobicContact CE2-CG 3.78Å; F421-F467 AromaticContact CG-CD1 3.88Å; F421-F467 HydrophobicContact CG-CD1 3.88Å; F421-F467 AromaticContact CG-CE1 3.98Å; F421-F467 HydrophobicContact CG-CE1 3.98Å; F421-F467 HydrophobicContact CG-CG 4.28Å; F421-F467 HydrophobicContact CG-CZ 4.46Å; F421-L574 HydrophobicContact CD1-CB 4.07Å; F421-L574 HydrophobicContact CD1-CD1 4.17Å; F421-L574 HydrophobicContact CD1-CD2 4.07Å; F421-L574 HydrophobicContact CD1-CG 4.33Å; F421-L574 HydrophobicContact CE1-CB 4.12Å; F421-L574 HydrophobicContact CG-CD1 4.46Å; F421-S575 WeakPolarHBondContact CE1-O 3.43Å; F421-P587 HydrophobicContact CE1-CG 4.02Å; F421-P587 HydrophobicContact CE2-CG 4.35Å; F421-P587 HydrophobicContact CZ-CB 4.2Å; F421-P587 HydrophobicContact CZ-CG 3.78Å
422	D	96.8	Very high	95.9	Very high	86 Å²	86	53 Å²	53	46%	0.46	26%	0.255	S	S	.	.	H	α-helix	trans	-70.1	-19.9	-176	-165.8	51.8	0	0	0	114.5	C418 L419 R424 L574	C418-D422 WeakPolarHBondContact O-CB 3.14Å; C418-D422 PolarHBondContact O-N 3.32Å; L419-D422 PolarHBondContact O-N 2.98Å; D422-R424 PolarHBondContact O-N 3.44Å; D422-L574 HydrophobicContact CB-CD2 3.8Å
423	H	96.6	Very high	96	Very high	166 Å²	166	52.4 Å²	52.4	77%	0.769	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-27	-176.6	-179.5	58.3	0	0	0	114.5	L419 F421	L419-H423 PolarHBondContact O-N 2.97Å; F421-H423 VanDerWaalsContact C-N 3.3Å; F421-H423 PolarHBondContact O-N 3.28Å
424	R	95	Very high	96.1	Very high	115 Å²	115	55 Å²	55	43%	0.434	26%	0.262	S	S	.	.	S	Bend	trans	-146.9	158.1	172.9	67.8	167.4	178.5	84.3	-8.5	112	D422 R426 E430	D422-R424 PolarHBondContact O-N 3.44Å; R424-R426 VanDerWaalsContact NH2-NH1 3.19Å; R424-R426 PolarHBondContact O-NE 3Å; R424-E430 IonicContact CZ-OE1 2.79Å; R424-E430 VanDerWaalsContact CZ-OE1 3.24Å; R424-E430 IonicContact NH1-OE1 3.95Å; R424-E430 PolarHBondContact NH1-OE1 3.21Å; R424-E430 IonicContact NH1-OE2 2.78Å; R424-E430 PolarHBondContact NH1-OE2 3.3Å; R424-E430 VanDerWaalsContact NH1-OE2 3.12Å; R424-E430 IonicContact NH2-OE1 3.41Å; R424-E430 PolarHBondContact NH2-OE1 3.14Å
425	P	93.6	Very high	96.3	Very high	114 Å²	114	54.9 Å²	54.9	74%	0.74	26%	0.26	S	S	*	.			trans	-53.3	141.7	171.7	-25.8	34.8	0	0	0	112.5
426	R	95.3	Very high	96.4	Very high	25 Å²	25	54.9 Å²	54.9	9%	0.094	26%	0.26	C	S	.	.			trans	-116.7	140	-178.4	-57.8	-57.9	178.9	164.7	0.2	111	M420 F421 R424 E430 F576 V577	M420-R426 PolarHBondContact O-NH2 2.77Å; F421-R426 HydrophobicContact CD1-CG 4.18Å; F421-R426 HydrophobicContact CD2-CG 4.38Å; F421-R426 HydrophobicContact CE1-CB 4.34Å; F421-R426 HydrophobicContact CE1-CG 3.76Å; F421-R426 HydrophobicContact CE2-CB 4.5Å; F421-R426 HydrophobicContact CE2-CG 3.96Å; F421-R426 HydrophobicContact CG-CG 4.49Å; F421-R426 HydrophobicContact CZ-CB 3.96Å; F421-R426 HydrophobicContact CZ-CG 3.64Å; F421-R426 PolarHBondContact O-NE 2.93Å; F421-R426 PolarHBondContact O-NH2 3.46Å; R424-R426 VanDerWaalsContact NH2-NH1 3.19Å; R424-R426 PolarHBondContact O-NE 3Å; R426-E430 WeakPolarHBondContact CA-OE2 3.43Å; R426-F576 HydrophobicContact CB-CB 3.84Å; R426-F576 CarbonylContact O-C 3.5Å; R426-F576 VanDerWaalsContact O-CA 3.3Å; R426-F576 WeakPolarHBondContact O-CA 3.46Å; R426-F576 WeakPolarHBondContact O-CB 3.23Å; R426-V577 PolarHBondContact O-N 3.44Å
427	S	95.1	Very high	96.3	Very high	35 Å²	35	54.9 Å²	54.9	25%	0.245	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-101.8	149	171.9	-179.7	0	0	0	0	110.6	R429 E430	S427-R429 PolarHBondContact O-N 3.46Å; S427-R429 PolarHBondContact OG-N 3.03Å; S427-E430 PolarHBondContact N-OE2 3.31Å; S427-E430 WeakPolarHBondContact O-CB 3.29Å; S427-E430 PolarHBondContact O-N 3.45Å
428	W	93.9	Very high	96.1	Very high	86 Å²	86	55.4 Å²	55.4	33%	0.326	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-51.4	-27.1	169.9	71.8	-91.2	0	0	0	113.1	E430 L431 F576 V577 N579	W428-E430 PolarHBondContact O-N 3.41Å; W428-L431 PolarHBondContact O-N 3.34Å; W428-F576 HydrophobicContact CB-CD2 3.97Å; W428-F576 HydrophobicContact CB-CE2 3.84Å; W428-V577 WeakPolarHBondContact CB-O 3.33Å; W428-V577 VanDerWaalsContact CD1-O 3.32Å; W428-V577 PolarHBondContact N-O 3.2Å; W428-N579 VanDerWaalsContact CD1-CA 3.48Å; W428-N579 VanDerWaalsContact CD1-N 3.3Å; W428-N579 HydrophobicContact CD2-CB 4Å; W428-N579 HydrophobicContact CG-CB 4.18Å; W428-N579 HydrophobicContact CZ2-CB 4.09Å; W428-N579 WeakPolarHBondContact CZ2-OD1 3.22Å
429	R	94.7	Very high	95.9	Very high	187 Å²	187	55.9 Å²	55.9	71%	0.706	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-67.5	-20.4	177.5	-61.8	-179.5	-177.9	-85.2	-1.5	113.9	S427	S427-R429 PolarHBondContact O-N 3.46Å; S427-R429 PolarHBondContact OG-N 3.03Å
430	E	94.3	Very high	95.8	Very high	67 Å²	67	53.3 Å²	53.3	31%	0.313	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-90	-9.9	177.9	-56.8	-178.7	97.2	0	0	112	R424 R426 S427 W428 P432	R424-E430 IonicContact CZ-OE1 2.79Å; R424-E430 VanDerWaalsContact CZ-OE1 3.24Å; R424-E430 IonicContact NH1-OE1 3.95Å; R424-E430 PolarHBondContact NH1-OE1 3.21Å; R424-E430 IonicContact NH1-OE2 2.78Å; R424-E430 PolarHBondContact NH1-OE2 3.3Å; R424-E430 VanDerWaalsContact NH1-OE2 3.12Å; R424-E430 IonicContact NH2-OE1 3.41Å; R424-E430 PolarHBondContact NH2-OE1 3.14Å; R426-E430 WeakPolarHBondContact CA-OE2 3.43Å; S427-E430 PolarHBondContact N-OE2 3.31Å; S427-E430 WeakPolarHBondContact O-CB 3.29Å; S427-E430 PolarHBondContact O-N 3.45Å; W428-E430 PolarHBondContact O-N 3.41Å; E430-P432 CarbonylContact O-C 3.27Å
431	L	95.2	Very high	95.7	Very high	12 Å²	12	50.3 Å²	50.3	6%	0.063	24%	0.239	C	C	.	.			trans	-89.5	137.2	177.7	-56.1	-175.3	0	0	0	110.1	F421 W428 L433 F467 Q472 F576	F421-L431 HydrophobicContact CE2-CD2 4.18Å; W428-L431 PolarHBondContact O-N 3.34Å; L431-L433 HydrophobicContact CD2-CB 4.24Å; L431-F467 HydrophobicContact CD2-CB 4.41Å; L431-F467 WeakPolarHBondContact CD2-O 3.32Å; L431-Q472 PolarHBondContact O-NE2 3.18Å; L431-Q472 VanDerWaalsContact O-NE2 3.12Å; L431-F576 HydrophobicContact CD1-CD1 3.73Å; L431-F576 HydrophobicContact CD1-CD2 3.8Å; L431-F576 HydrophobicContact CD1-CE1 3.72Å; L431-F576 HydrophobicContact CD1-CE2 3.8Å; L431-F576 HydrophobicContact CD1-CG 3.77Å; L431-F576 HydrophobicContact CD1-CZ 3.76Å
432	P	97	Very high	95.7	Very high	35 Å²	35	52 Å²	52	23%	0.227	25%	0.247	C	C	.	.	S	Bend	cis	-79.4	130.6	5.4	31.3	-35	0	0	0	113.2	E430 R434 I466 F467 C468 E476	E430-P432 CarbonylContact O-C 3.27Å; P432-R434 VanDerWaalsContact CG-NH2 3.26Å; P432-I466 HydrophobicContact CB-CG2 4.06Å; P432-F467 CarbonylContact C-O 3.57Å; P432-F467 WeakPolarHBondContact CA-O 3.49Å; P432-C468 HydrophobicContact CB-CB 4.12Å; P432-E476 HydrophobicContact CB-CG 4.09Å; P432-E476 HydrophobicContact CG-CG 4.48Å; P432-E476 VanDerWaalsContact CG-OE1 3.3Å; P432-E476 WeakPolarHBondContact CG-OE1 3.37Å
433	L	97.5	Very high	95.6	Very high	12 Å²	12	51.2 Å²	51.2	6%	0.063	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	115.2	175	177.5	62.8	0	0	0	109.5	F421 L431 M435 I466 F467	F421-L433 HydrophobicContact CD2-CD2 3.98Å; F421-L433 HydrophobicContact CE2-CD2 4.35Å; L431-L433 HydrophobicContact CD2-CB 4.24Å; L433-M435 HydrophobicContact CD2-CE 3.49Å; L433-M435 VanDerWaalsContact CD2-CE 3.49Å; L433-M435 HydrophobicContact CG-CE 4.05Å; L433-I466 CarbonylContact O-C 3.53Å; L433-I466 WeakPolarHBondContact O-CA 3.04Å; L433-F467 HydrophobicContact CB-CB 4.34Å; L433-F467 PolarHBondContact N-O 3.23Å; L433-F467 PolarHBondContact O-N 3.46Å
434	R	97.9	Very high	95.5	Very high	55 Å²	55	45.9 Å²	45.9	21%	0.208	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	105.6	-173	-53.6	-173	-173.1	98.3	-2.4	110.8	R368 F370 Q371 P432 I466 E476	R368-R434 PolarHBondContact O-NH1 3.22Å; F370-R434 HydrophobicContact CB-CB 4.49Å; F370-R434 HydrophobicContact CD1-CB 3.65Å; F370-R434 HydrophobicContact CD2-CB 4.42Å; F370-R434 HydrophobicContact CE1-CB 3.79Å; F370-R434 HydrophobicContact CE1-CG 4.43Å; F370-R434 HydrophobicContact CG-CB 3.95Å; F370-R434 HydrophobicContact CZ-CB 4.22Å; F370-R434 HydrophobicContact CZ-CG 4.42Å; Q371-R434 PolarHBondContact N-O 3.36Å; P432-R434 VanDerWaalsContact CG-NH2 3.26Å; R434-I466 HydrophobicContact CB-CG1 4.38Å; R434-I466 HydrophobicContact CG-CG1 4.08Å; R434-I466 HydrophobicContact CG-CG2 4.01Å; R434-E476 IonicContact CZ-OE1 2.89Å; R434-E476 IonicContact CZ-OE2 3.21Å; R434-E476 IonicContact NE-OE1 3.99Å; R434-E476 IonicContact NE-OE2 2.7Å; R434-E476 PolarHBondContact NE-OE2 3.06Å; R434-E476 IonicContact NH2-OE1 2.99Å; R434-E476 PolarHBondContact NH2-OE1 2.91Å; R434-E476 IonicContact NH2-OE2 3.98Å; R434-E476 PolarHBondContact NH2-OE2 3.41Å
435	M	97.9	Very high	95.2	Very high	8 Å²	8	41.7 Å²	41.7	4%	0.039	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	130.4	176.9	-61.7	-172.8	-170.1	0	0	110.5	Q371 V373 H417 M420 L433 A464 H465 F467	Q371-M435 WeakPolarHBondContact O-CA 3.36Å; V373-M435 HydrophobicContact CG2-CB 4.43Å; H417-M435 HydrophobicContact CB-SD 4.25Å; M420-M435 HydrophobicContact CB-CE 4.14Å; M420-M435 HydrophobicContact CB-SD 4.06Å; L433-M435 HydrophobicContact CD2-CE 3.49Å; L433-M435 VanDerWaalsContact CD2-CE 3.49Å; L433-M435 HydrophobicContact CG-CE 4.05Å; M435-A464 CarbonylContact O-C 3.56Å; M435-A464 WeakPolarHBondContact O-CA 3.31Å; M435-A464 VanDerWaalsContact O-CB 3.26Å; M435-A464 WeakPolarHBondContact O-CB 3.25Å; M435-H465 PolarHBondContact N-O 3.34Å; M435-H465 PolarHBondContact O-N 3.19Å; M435-F467 HydrophobicContact CE-CE2 4.36Å; M435-F467 HydrophobicContact SD-CE2 4.18Å
436	A	97.3	Very high	94.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	143.8	175	0	0	0	0	0	110.8	Y365 F370 Q371 E372 V373 D463 A464	Y365-A436 HydrophobicContact CD1-CB 4.3Å; Y365-A436 HydrophobicContact CD2-CB 3.79Å; Y365-A436 HydrophobicContact CE1-CB 4Å; Y365-A436 HydrophobicContact CE2-CB 3.47Å; Y365-A436 VanDerWaalsContact CE2-CB 3.47Å; Y365-A436 HydrophobicContact CG-CB 4.22Å; F370-A436 HydrophobicContact CB-CB 4.22Å; F370-A436 HydrophobicContact CD1-CB 4.13Å; Q371-A436 PolarHBondContact O-N 3.13Å; E372-A436 CarbonylContact C-O 3.47Å; E372-A436 VanDerWaalsContact CA-O 3.3Å; E372-A436 WeakPolarHBondContact CA-O 2.99Å; V373-A436 WeakPolarHBondContact CG2-O 3.38Å; V373-A436 PolarHBondContact N-O 2.95Å; A436-D463 CarbonylContact C-O 3.51Å; A436-D463 WeakPolarHBondContact CA-O 3.21Å; A436-A464 HydrophobicContact CB-CB 4.13Å
437	D	95.7	Very high	93.6	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.021	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	117	-173.8	-169.6	-13.5	0	0	0	110.9	V373 T375 H417 G439 D463	V373-D437 HydrophobicContact CG2-CB 4.01Å; T375-D437 WeakPolarHBondContact CG2-OD2 3.43Å; T375-D437 PolarHBondContact OG1-OD2 3.03Å; H417-D437 IonicContact CD2-OD2 2.68Å; H417-D437 WeakPolarHBondContact CE1-CB 3.27Å; H417-D437 IonicContact CE1-OD2 2.66Å; H417-D437 WeakPolarHBondContact NE2-CB 3.35Å; H417-D437 IonicContact NE2-OD2 2.77Å; H417-D437 PolarHBondContact NE2-OD2 2.88Å; D437-G439 PolarHBondContact O-N 3.1Å; D437-G439 WeakPolarHBondContact OD1-CA 3.42Å; D437-G439 PolarHBondContact OD1-N 3.48Å; D437-D463 PolarHBondContact N-O 3.25Å
438	F	94.4	Very high	92.5	Very high	11 Å²	11	47.9 Å²	47.9	5%	0.048	25%	0.251	C	S	.	.			trans	-86.2	32.2	169.8	-77.3	-75.9	0	0	0	111.9	I358 I361 R362 Y365 Q460 Q461 D462 V598	I358-F438 HydrophobicContact CB-CZ 4.47Å; I358-F438 HydrophobicContact CD1-CD1 4.3Å; I358-F438 HydrophobicContact CG1-CD1 4.08Å; I358-F438 HydrophobicContact CG1-CE1 3.93Å; I358-F438 HydrophobicContact CG1-CZ 4.38Å; I358-F438 HydrophobicContact CG2-CD1 4.49Å; I358-F438 HydrophobicContact CG2-CD2 4.03Å; I358-F438 HydrophobicContact CG2-CE1 4.39Å; I358-F438 HydrophobicContact CG2-CE2 3.92Å; I358-F438 HydrophobicContact CG2-CG 4.32Å; I358-F438 HydrophobicContact CG2-CZ 4.12Å; I361-F438 HydrophobicContact CB-CZ 3.92Å; I361-F438 HydrophobicContact CG2-CE2 4.37Å; I361-F438 HydrophobicContact CG2-CZ 3.73Å; R362-F438 HydrophobicContact CG-CD2 4.47Å; R362-F438 HydrophobicContact CG-CE2 3.88Å; Y365-F438 HydrophobicContact CD2-CE2 4.29Å; Y365-F438 HydrophobicContact CE2-CD2 4.34Å; Y365-F438 AromaticContact CE2-CE2 3.51Å; Y365-F438 HydrophobicContact CE2-CE2 3.51Å; Y365-F438 HydrophobicContact CE2-CZ 4Å; F438-Q460 WeakPolarHBondContact O-CG 3.5Å; F438-Q460 PolarHBondContact O-NE2 3.26Å; F438-Q461 WeakPolarHBondContact CD1-O 3.29Å; F438-D462 VanDerWaalsContact CE1-CA 3.48Å; F438-D462 HydrophobicContact CE1-CB 3.57Å; F438-D462 HydrophobicContact CZ-CB 3.83Å; F438-V598 HydrophobicContact CE1-CG2 4.42Å
439	G	92.4	Very high	91.7	Very high	9 Å²	9	45.3 Å²	45.3	9%	0.093	25%	0.248	C	C	.	.			trans	-59.1	145.6	-177.5	0	0	0	0	0	112.7	D437 L441	D437-G439 PolarHBondContact O-N 3.1Å; D437-G439 WeakPolarHBondContact OD1-CA 3.42Å; D437-G439 PolarHBondContact OD1-N 3.48Å; G439-L441 PolarHBondContact O-N 2.96Å
440	V	95.6	Very high	91.3	Very high	26 Å²	26	38.3 Å²	38.3	16%	0.158	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	123.4	178.4	-173.4	0	0	0	0	109.6	N377 K410 R458 Q460	N377-V440 PolarHBondContact OD1-O 3.26Å; K410-V440 WeakPolarHBondContact CE-O 3.47Å; V440-R458 HydrophobicContact CG1-CG 3.77Å; V440-Q460 HydrophobicContact CB-CG 4.36Å; V440-Q460 HydrophobicContact CG2-CG 3.88Å
441	L	96.9	Very high	91	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	147.6	-179.2	-59.1	-177.1	0	0	0	110.8	K410 N413 G439 R458 F459 Q461	K410-L441 HydrophobicContact CD-CD2 3.77Å; K410-L441 HydrophobicContact CG-CD2 3.81Å; K410-L441 WeakPolarHBondContact O-CA 3.18Å; N413-L441 WeakPolarHBondContact OD1-CD2 3.16Å; G439-L441 PolarHBondContact O-N 2.96Å; L441-R458 WeakPolarHBondContact O-CA 3.43Å; L441-F459 HydrophobicContact CB-CD1 4.38Å; L441-F459 HydrophobicContact CB-CD2 4.07Å; L441-F459 HydrophobicContact CB-CE1 3.95Å; L441-F459 HydrophobicContact CB-CE2 3.64Å; L441-F459 HydrophobicContact CB-CG 4.41Å; L441-F459 HydrophobicContact CB-CZ 3.53Å; L441-F459 HydrophobicContact CD1-CD2 4.25Å; L441-F459 HydrophobicContact CD1-CE2 3.49Å; L441-F459 VanDerWaalsContact CD1-CE2 3.49Å; L441-F459 HydrophobicContact CD1-CZ 3.96Å; L441-F459 HydrophobicContact CG-CE2 4.15Å; L441-F459 HydrophobicContact CG-CZ 4.4Å; L441-F459 PolarHBondContact N-O 2.87Å; L441-F459 PolarHBondContact O-N 2.8Å; L441-Q461 HydrophobicContact CD1-CB 4.45Å
442	H	97.1	Very high	90.8	Very high	37 Å²	37	37.8 Å²	37.8	17%	0.171	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	130.4	177.2	-59.7	80.9	0	0	0	111.8	F398 L409 K410 P411 R457	F398-H442 HydrophobicContact CD2-CB 3.87Å; F398-H442 HydrophobicContact CE2-CB 4.37Å; L409-H442 HydrophobicContact CB-CB 3.9Å; L409-H442 HydrophobicContact CD1-CB 4.12Å; K410-H442 PolarHBondContact O-N 3.25Å; P411-H442 VanDerWaalsContact CA-O 3.3Å; P411-H442 WeakPolarHBondContact CA-O 3.39Å; H442-R457 CarbonylContact C-O 3.55Å; H442-R457 WeakPolarHBondContact CA-O 3.33Å
443	R	95.2	Very high	90.7	Very high	70 Å²	70	36.1 Å²	36.1	26%	0.264	22%	0.219	S	C	.	.			trans	-128.9	130.5	173.8	-69.3	175.3	179.8	171.6	7.2	109.3	Y393 N396 F398 P411 E445 R457 F459	Y393-R443 HydrophobicContact CE1-CG 4.16Å; Y393-R443 WeakPolarHBondContact OH-CD 3.06Å; Y393-R443 PolarHBondContact OH-NE 3.01Å; N396-R443 CarbonylContact O-C 3.56Å; F398-R443 VanDerWaalsContact CE2-C 3.49Å; F398-R443 WeakPolarHBondContact CE2-O 3.36Å; P411-R443 HydrophobicContact CB-CG 4.26Å; P411-R443 PolarHBondContact O-NE 3.41Å; R443-E445 HydrophobicContact CB-CG 4.28Å; R443-E445 PolarHBondContact O-N 2.87Å; R443-R457 PolarHBondContact N-O 2.96Å; R443-R457 WeakPolarHBondContact O-CA 3.49Å; R443-R457 WeakPolarHBondContact O-CB 3.47Å; R443-R457 VanDerWaalsContact O-CG 3.31Å; R443-R457 WeakPolarHBondContact O-CG 3.3Å; R443-F459 HydrophobicContact CB-CE1 4.25Å; R443-F459 HydrophobicContact CG-CE1 3.78Å; R443-F459 HydrophobicContact CG-CZ 4.05Å
444	N	92.6	Very high	90.4	Very high	54 Å²	54	36.6 Å²	36.6	29%	0.289	22%	0.222	S	C	.	.			trans	-78.9	63.2	179.7	-173	27.6	0	0	0	111.3	N396 F398	N396-N444 PolarHBondContact O-N 3.02Å; F398-N444 HydrophobicContact CD1-CB 4.23Å; F398-N444 HydrophobicContact CD2-CB 4.11Å; F398-N444 HydrophobicContact CE1-CB 4Å; F398-N444 WeakPolarHBondContact CE1-OD1 3.48Å; F398-N444 HydrophobicContact CE2-CB 3.91Å; F398-N444 HydrophobicContact CG-CB 4.29Å; F398-N444 HydrophobicContact CZ-CB 3.84Å; F398-N444 WeakPolarHBondContact CZ-OD1 3.15Å
445	E	88.5	Confident	90.1	Very high	27 Å²	27	39.2 Å²	39.2	13%	0.126	23%	0.232	C	C	.	.			trans	-62.6	142.6	175.9	-67.1	-71.9	168.6	0	0	110.9	R443 S447 L450 R455 R457	R443-E445 HydrophobicContact CB-CG 4.28Å; R443-E445 PolarHBondContact O-N 2.87Å; E445-S447 PolarHBondContact O-N 3.42Å; E445-L450 HydrophobicContact CB-CD2 3.86Å; E445-R455 IonicContact OE1-NH2 3.35Å; E445-R455 IonicContact OE2-CZ 2.76Å; E445-R455 IonicContact OE2-NE 3.45Å; E445-R455 PolarHBondContact OE2-NE 3.12Å; E445-R455 IonicContact OE2-NH2 3.89Å; E445-R455 PolarHBondContact OE2-NH2 3.48Å; E445-R457 HydrophobicContact CB-CG 4.17Å; E445-R457 PolarHBondContact O-NE 3.19Å; E445-R457 PolarHBondContact O-NH2 2.82Å
446	L	79.8	Confident	90	Very high	136 Å²	136	39.3 Å²	39.3	71%	0.712	23%	0.233	S	C	*	.			trans	-58.9	135	174.5	-64	175.9	0	0	0	110.1	G448 A449	L446-G448 VanDerWaalsContact C-N 3.26Å; L446-G448 PolarHBondContact O-N 2.91Å; L446-A449 HydrophobicContact CB-CB 4.38Å; L446-A449 WeakPolarHBondContact O-CB 3.41Å; L446-A449 PolarHBondContact O-N 2.72Å
447	S	76.4	Confident	89.9	Confident	89 Å²	89	41.4 Å²	41.4	62%	0.622	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-56.5	-38.9	-175.5	52.4	0	0	0	0	113	E445 A449 L450	E445-S447 PolarHBondContact O-N 3.42Å; S447-A449 PolarHBondContact O-N 2.99Å; S447-L450 WeakPolarHBondContact O-CB 3.39Å; S447-L450 WeakPolarHBondContact O-CG 3.39Å; S447-L450 PolarHBondContact O-N 3.35Å
448	G	72.9	Confident	89.9	Confident	80 Å²	80	44 Å²	44	83%	0.825	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-69.3	-14.4	176.9	0	0	0	0	0	115	L446	L446-G448 VanDerWaalsContact C-N 3.26Å; L446-G448 PolarHBondContact O-N 2.91Å
449	A	76.4	Confident	90	Very high	31 Å²	31	44 Å²	44	26%	0.256	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-92.1	-10.9	176.8	0	0	0	0	0	113	L446 S447 R455	L446-A449 HydrophobicContact CB-CB 4.38Å; L446-A449 WeakPolarHBondContact O-CB 3.41Å; L446-A449 PolarHBondContact O-N 2.72Å; S447-A449 PolarHBondContact O-N 2.99Å; A449-R455 VanDerWaalsContact O-CD 3.3Å; A449-R455 WeakPolarHBondContact O-CD 3.49Å
450	L	86.3	Confident	90.2	Very high	41 Å²	41	45.2 Å²	45.2	22%	0.215	25%	0.254	C	S	.	.			trans	-68.5	133.3	-179	-58.4	174.5	0	0	0	110.8	P341 E445 S447 R457	P341-L450 HydrophobicContact CB-CD1 4.39Å; E445-L450 HydrophobicContact CB-CD2 3.86Å; S447-L450 WeakPolarHBondContact O-CB 3.39Å; S447-L450 WeakPolarHBondContact O-CG 3.39Å; S447-L450 PolarHBondContact O-N 3.35Å; L450-R457 HydrophobicContact CD2-CG 3.98Å
451	T	87.5	Confident	90.1	Very high	51 Å²	51	45.6 Å²	45.6	31%	0.313	25%	0.254	S	S	.	.	B	Isolated β-bridge	trans	-147.1	96.4	-177	164.6	0	0	0	0	111.1	L453 T454 R455	T451-L453 PolarHBondContact O-N 3.35Å; T451-T454 WeakPolarHBondContact CG2-OG1 3.44Å; T451-T454 PolarHBondContact O-N 2.93Å; T451-T454 PolarHBondContact O-OG1 3.35Å; T451-T454 PolarHBondContact OG1-OG1 2.92Å; T451-R455 HydrophobicContact CG2-CB 3.6Å; T451-R455 PolarHBondContact N-O 3.47Å; T451-R455 VanDerWaalsContact N-O 3.15Å; T451-R455 PolarHBondContact O-N 3.2Å
452	G	91.9	Very high	90	Very high	16 Å²	16	45.6 Å²	45.6	17%	0.165	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.5	-127.8	179.8	0	0	0	0	0	111.6	F336 V456	F336-G452 VanDerWaalsContact CZ-C 3.46Å; F336-G452 WeakPolarHBondContact CZ-O 3.31Å; G452-V456 VanDerWaalsContact O-CG1 3.23Å; G452-V456 WeakPolarHBondContact O-CG1 3.44Å
453	L	95.1	Very high	89.9	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-12.2	177.2	-73.7	-179.8	0	0	0	114.1	H324 F334 F336 C344 F346 T451 E599 R600 I602 A603	H324-L453 PolarHBondContact NE2-N 3Å; F334-L453 HydrophobicContact CD1-CD1 3.64Å; F334-L453 HydrophobicContact CD1-CG 4.32Å; F334-L453 HydrophobicContact CD2-CG 4.41Å; F334-L453 HydrophobicContact CE1-CD1 3.33Å; F334-L453 HydrophobicContact CE1-CG 4.03Å; F334-L453 HydrophobicContact CE2-CD1 4.33Å; F334-L453 HydrophobicContact CE2-CG 4.13Å; F334-L453 HydrophobicContact CG-CD1 4.27Å; F334-L453 HydrophobicContact CZ-CD1 3.73Å; F334-L453 HydrophobicContact CZ-CG 3.93Å; F336-L453 HydrophobicContact CZ-CD2 4.12Å; C344-L453 HydrophobicContact CB-CD2 3.71Å; C344-L453 WeakPolarHBondContact SG-CD2 3.32Å; F346-L453 HydrophobicContact CE1-CD1 4.2Å; F346-L453 HydrophobicContact CE1-CD2 4.21Å; F346-L453 HydrophobicContact CZ-CD1 4.38Å; F346-L453 HydrophobicContact CZ-CD2 3.72Å; T451-L453 PolarHBondContact O-N 3.35Å; L453-E599 WeakPolarHBondContact CB-O 3.45Å; L453-E599 HydrophobicContact CD2-CB 4Å; L453-E599 HydrophobicContact CD2-CG 4.2Å; L453-E599 CarbonylContact O-C 3.59Å; L453-R600 WeakPolarHBondContact O-CA 3.5Å; L453-R600 PolarHBondContact O-N 2.79Å; L453-I602 HydrophobicContact CD1-CB 4.11Å; L453-I602 HydrophobicContact CD1-CG2 3.74Å; L453-A603 HydrophobicContact CB-CB 3.73Å
454	T	91.4	Very high	90	Very high	23 Å²	23	40.9 Å²	40.9	14%	0.141	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-30.6	-176.9	55.1	0	0	0	0	113.7	T451 R600 A603	T451-T454 WeakPolarHBondContact CG2-OG1 3.44Å; T451-T454 PolarHBondContact O-N 2.93Å; T451-T454 PolarHBondContact O-OG1 3.35Å; T451-T454 PolarHBondContact OG1-OG1 2.92Å; T454-R600 PolarHBondContact O-NE 3.35Å; T454-R600 PolarHBondContact O-NH2 2.9Å; T454-A603 HydrophobicContact CG2-CB 3.67Å
455	R	90.9	Very high	90.2	Very high	110 Å²	110	38.4 Å²	38.4	42%	0.415	22%	0.222	S	C	.	.	B	Isolated β-bridge	trans	-142.7	110.5	175.7	-167.6	161.5	179.7	162.9	2.8	110.2	E445 A449 T451	E445-R455 IonicContact OE1-NH2 3.35Å; E445-R455 IonicContact OE2-CZ 2.76Å; E445-R455 IonicContact OE2-NE 3.45Å; E445-R455 PolarHBondContact OE2-NE 3.12Å; E445-R455 IonicContact OE2-NH2 3.89Å; E445-R455 PolarHBondContact OE2-NH2 3.48Å; A449-R455 VanDerWaalsContact O-CD 3.3Å; A449-R455 WeakPolarHBondContact O-CD 3.49Å; T451-R455 HydrophobicContact CG2-CB 3.6Å; T451-R455 PolarHBondContact N-O 3.47Å; T451-R455 VanDerWaalsContact N-O 3.15Å; T451-R455 PolarHBondContact O-N 3.2Å
456	V	95	Very high	90.6	Very high	10 Å²	10	37.1 Å²	37.1	6%	0.061	22%	0.216	C	C	.	.			trans	-131.9	157.9	-170.4	-70.3	0	0	0	0	110.1	F336 G342 G452 R458 F459 E599	F336-V456 HydrophobicContact CE1-CG1 4.31Å; F336-V456 HydrophobicContact CZ-CG1 4.35Å; G342-V456 CarbonylContact O-C 3.48Å; G342-V456 WeakPolarHBondContact O-CA 3.45Å; G342-V456 VanDerWaalsContact O-CB 3.22Å; G342-V456 WeakPolarHBondContact O-CB 3.17Å; G452-V456 VanDerWaalsContact O-CG1 3.23Å; G452-V456 WeakPolarHBondContact O-CG1 3.44Å; V456-R458 VanDerWaalsContact CG2-O 3.24Å; V456-R458 WeakPolarHBondContact CG2-O 3.4Å; V456-F459 HydrophobicContact CG2-CB 3.85Å; V456-F459 HydrophobicContact CG2-CD1 4.46Å; V456-E599 HydrophobicContact CG2-CB 4.32Å; V456-E599 HydrophobicContact CG2-CG 4.47Å
457	R	95.9	Very high	91.5	Very high	44 Å²	44	30.7 Å²	30.7	17%	0.166	18%	0.182	C	C	.	.	S	Bend	trans	-83.6	-35.7	174.4	-77.1	169.2	162.8	-169.6	-0.5	112.1	P341 G342 F398 H442 R443 E445 L450	P341-R457 WeakPolarHBondContact O-CD 3.48Å; G342-R457 PolarHBondContact O-N 3.41Å; F398-R457 HydrophobicContact CE2-CB 4.23Å; F398-R457 HydrophobicContact CE2-CG 4.41Å; F398-R457 HydrophobicContact CZ-CB 4.37Å; F398-R457 HydrophobicContact CZ-CG 4.21Å; H442-R457 CarbonylContact C-O 3.55Å; H442-R457 WeakPolarHBondContact CA-O 3.33Å; R443-R457 PolarHBondContact N-O 2.96Å; R443-R457 WeakPolarHBondContact O-CA 3.49Å; R443-R457 WeakPolarHBondContact O-CB 3.47Å; R443-R457 VanDerWaalsContact O-CG 3.31Å; R443-R457 WeakPolarHBondContact O-CG 3.3Å; E445-R457 HydrophobicContact CB-CG 4.17Å; E445-R457 PolarHBondContact O-NE 3.19Å; E445-R457 PolarHBondContact O-NH2 2.82Å; L450-R457 HydrophobicContact CD2-CG 3.98Å
458	R	96.3	Very high	92.5	Very high	58 Å²	58	26.4 Å²	26.4	22%	0.219	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	130.4	175.6	179	-84.4	-174.9	-148.5	-1.1	109.6	Y354 V440 L441 V456 Q460 E599	Y354-R458 PolarHBondContact OH-NH1 2.71Å; V440-R458 HydrophobicContact CG1-CG 3.77Å; L441-R458 WeakPolarHBondContact O-CA 3.43Å; V456-R458 VanDerWaalsContact CG2-O 3.24Å; V456-R458 WeakPolarHBondContact CG2-O 3.4Å; R458-Q460 VanDerWaalsContact NH1-OE1 3.1Å; R458-Q460 VanDerWaalsContact NH2-CD 3.32Å; R458-E599 IonicContact CZ-OE1 3.52Å; R458-E599 IonicContact NH1-OE1 3.56Å; R458-E599 PolarHBondContact NH1-OE1 3.21Å
459	F	96.7	Very high	93.4	Very high	11 Å²	11	23.2 Å²	23.2	5%	0.048	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	160.8	175.8	57.1	-77.8	0	0	0	112.2	L441 R443 V456 E599	L441-F459 HydrophobicContact CB-CD1 4.38Å; L441-F459 HydrophobicContact CB-CD2 4.07Å; L441-F459 HydrophobicContact CB-CE1 3.95Å; L441-F459 HydrophobicContact CB-CE2 3.64Å; L441-F459 HydrophobicContact CB-CG 4.41Å; L441-F459 HydrophobicContact CB-CZ 3.53Å; L441-F459 HydrophobicContact CD1-CD2 4.25Å; L441-F459 HydrophobicContact CD1-CE2 3.49Å; L441-F459 VanDerWaalsContact CD1-CE2 3.49Å; L441-F459 HydrophobicContact CD1-CZ 3.96Å; L441-F459 HydrophobicContact CG-CE2 4.15Å; L441-F459 HydrophobicContact CG-CZ 4.4Å; L441-F459 PolarHBondContact N-O 2.87Å; L441-F459 PolarHBondContact O-N 2.8Å; R443-F459 HydrophobicContact CB-CE1 4.25Å; R443-F459 HydrophobicContact CG-CE1 3.78Å; R443-F459 HydrophobicContact CG-CZ 4.05Å; V456-F459 HydrophobicContact CG2-CB 3.85Å; V456-F459 HydrophobicContact CG2-CD1 4.46Å; F459-E599 WeakPolarHBondContact CA-OE1 3.29Å; F459-E599 WeakPolarHBondContact CA-OE2 3.22Å; F459-E599 VanDerWaalsContact CB-OE2 3.31Å; F459-E599 WeakPolarHBondContact CB-OE2 3.29Å
460	Q	95.8	Very high	93.9	Very high	35 Å²	35	25.3 Å²	25.3	16%	0.164	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	138.2	163.4	-66.5	168.7	-92	0	0	108.4	Y354 F438 V440 R458 S597 V598 E599	Y354-Q460 VanDerWaalsContact OH-CB 3.31Å; Y354-Q460 WeakPolarHBondContact OH-CB 3.35Å; Y354-Q460 PolarHBondContact OH-OE1 2.99Å; F438-Q460 WeakPolarHBondContact O-CG 3.5Å; F438-Q460 PolarHBondContact O-NE2 3.26Å; V440-Q460 HydrophobicContact CB-CG 4.36Å; V440-Q460 HydrophobicContact CG2-CG 3.88Å; R458-Q460 VanDerWaalsContact NH1-OE1 3.1Å; R458-Q460 VanDerWaalsContact NH2-CD 3.32Å; Q460-S597 CarbonylContact O-C 3.55Å; Q460-S597 VanDerWaalsContact O-CA 3.25Å; Q460-S597 WeakPolarHBondContact O-CA 3.31Å; Q460-V598 PolarHBondContact O-N 3.21Å; Q460-E599 PolarHBondContact N-OE1 2.88Å; Q460-E599 PolarHBondContact N-OE2 2.83Å
461	Q	94.1	Very high	94	Very high	34 Å²	34	29.7 Å²	29.7	16%	0.159	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-113.6	151.4	179.7	-179	167.9	-65.4	0	0	108.8	F438 L441 D463 A593 G596	F438-Q461 WeakPolarHBondContact CD1-O 3.29Å; L441-Q461 HydrophobicContact CD1-CB 4.45Å; Q461-D463 HydrophobicContact CB-CB 4.21Å; Q461-D463 HydrophobicContact CG-CB 4.1Å; Q461-D463 PolarHBondContact NE2-OD1 2.87Å; Q461-D463 PolarHBondContact O-N 3.07Å; Q461-A593 HydrophobicContact CG-CB 3.79Å; Q461-G596 WeakPolarHBondContact CA-O 3.45Å; Q461-G596 WeakPolarHBondContact CG-O 3.19Å
462	D	94.9	Very high	94.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.14	C	C	.	.			trans	-75.7	53.5	166	69.4	-43.8	0	0	0	111.1	I361 Y365 F438 I594 L595 G596	I361-D462 HydrophobicContact CG2-CB 4.02Å; Y365-D462 VanDerWaalsContact OH-C 3.28Å; Y365-D462 PolarHBondContact OH-O 2.82Å; F438-D462 VanDerWaalsContact CE1-CA 3.48Å; F438-D462 HydrophobicContact CE1-CB 3.57Å; F438-D462 HydrophobicContact CZ-CB 3.83Å; D462-I594 PolarHBondContact OD1-N 2.88Å; D462-I594 WeakPolarHBondContact OD2-CA 3.19Å; D462-I594 VanDerWaalsContact OD2-CB 3.29Å; D462-I594 WeakPolarHBondContact OD2-CB 3.49Å; D462-I594 PolarHBondContact OD2-N 2.9Å; D462-L595 VanDerWaalsContact CG-N 3.3Å; D462-L595 PolarHBondContact OD1-N 2.68Å; D462-L595 VanDerWaalsContact OD1-N 3.09Å; D462-L595 PolarHBondContact OD2-N 3.35Å; D462-G596 PolarHBondContact N-O 3.41Å; D462-G596 PolarHBondContact OD1-N 2.95Å; D462-G596 VanDerWaalsContact OD1-O 3.04Å
463	D	94.4	Very high	94.2	Very high	9 Å²	9	28.1 Å²	28.1	5%	0.048	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	136	-169.8	-155.2	26.6	0	0	0	110	N413 A436 D437 Q461 H465	N413-D463 VanDerWaalsContact CB-OD2 3.32Å; N413-D463 WeakPolarHBondContact CB-OD2 3.36Å; N413-D463 WeakPolarHBondContact ND2-CB 3.26Å; N413-D463 PolarHBondContact ND2-OD2 2.95Å; A436-D463 CarbonylContact C-O 3.51Å; A436-D463 WeakPolarHBondContact CA-O 3.21Å; D437-D463 PolarHBondContact N-O 3.25Å; Q461-D463 HydrophobicContact CB-CB 4.21Å; Q461-D463 HydrophobicContact CG-CB 4.1Å; Q461-D463 PolarHBondContact NE2-OD1 2.87Å; Q461-D463 PolarHBondContact O-N 3.07Å; D463-H465 IonicContact OD1-CE1 2.84Å; D463-H465 IonicContact OD2-CE1 3.99Å; D463-H465 PolarHBondContact OD2-CE1 2.86Å
464	A	96.3	Very high	94	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	148	174.4	0	0	0	0	0	112.1	F370 M435 A436 R592	F370-A464 HydrophobicContact CD1-CB 3.91Å; F370-A464 HydrophobicContact CE1-CB 3.67Å; M435-A464 CarbonylContact O-C 3.56Å; M435-A464 WeakPolarHBondContact O-CA 3.31Å; M435-A464 VanDerWaalsContact O-CB 3.26Å; M435-A464 WeakPolarHBondContact O-CB 3.25Å; A436-A464 HydrophobicContact CB-CB 4.13Å; A464-R592 HydrophobicContact CB-CG 4.24Å; A464-R592 PolarHBondContact N-O 3.09Å; A464-R592 PolarHBondContact O-N 2.99Å
465	H	97.5	Very high	94	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	119.2	-179.7	-61.4	95.3	0	0	0	109.4	C414 H417 M435 D463 F467 I589 I590 H591	C414-H465 VanDerWaalsContact CA-CE1 3.48Å; C414-H465 WeakPolarHBondContact CA-CE1 3.49Å; C414-H465 WeakPolarHBondContact CB-NE2 3.48Å; C414-H465 PolarHBondContact SG-NE2 3.36Å; H417-H465 HydrophobicContact CB-CB 4.39Å; H417-H465 AromaticContact CE1-ND1 3.45Å; H417-H465 PolarHBondContact CE1-ND1 3.44Å; H417-H465 AromaticContact CG-ND1 3.65Å; H417-H465 AromaticContact ND1-CE1 3.87Å; H417-H465 AromaticContact ND1-CG 3.57Å; H417-H465 AromaticContact ND1-ND1 2.81Å; H417-H465 PolarHBondContact ND1-ND1 3.39Å; M435-H465 PolarHBondContact N-O 3.34Å; M435-H465 PolarHBondContact O-N 3.19Å; D463-H465 IonicContact OD1-CE1 2.84Å; D463-H465 IonicContact OD2-CE1 3.99Å; D463-H465 PolarHBondContact OD2-CE1 2.86Å; H465-F467 HydrophobicContact CB-CE2 4.08Å; H465-F467 HydrophobicContact CB-CZ 4.5Å; H465-I589 HydrophobicContact CB-CG2 4.13Å; H465-I590 WeakPolarHBondContact CA-O 3.45Å; H465-H591 AromaticContact CD2-CE1 3.55Å; H465-H591 AromaticContact CD2-CG 3.75Å; H465-H591 AromaticContact CD2-ND1 3.02Å; H465-H591 PolarHBondContact CD2-ND1 2.89Å; H465-H591 AromaticContact NE2-CE1 3.72Å; H465-H591 AromaticContact NE2-CG 3.92Å; H465-H591 AromaticContact NE2-ND1 2.96Å; H465-H591 PolarHBondContact NE2-ND1 2.85Å
466	I	98.1	Very high	94.2	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	115.8	176.4	-53.5	172.2	0	0	0	107.9	F370 P432 L433 R434 C468 E476 I589 I590	F370-I466 HydrophobicContact CE1-CD1 4.25Å; F370-I466 HydrophobicContact CE1-CG1 3.98Å; F370-I466 HydrophobicContact CZ-CD1 3.87Å; F370-I466 HydrophobicContact CZ-CG1 4.11Å; P432-I466 HydrophobicContact CB-CG2 4.06Å; L433-I466 CarbonylContact O-C 3.53Å; L433-I466 WeakPolarHBondContact O-CA 3.04Å; R434-I466 HydrophobicContact CB-CG1 4.38Å; R434-I466 HydrophobicContact CG-CG1 4.08Å; R434-I466 HydrophobicContact CG-CG2 4.01Å; I466-C468 HydrophobicContact CG2-CB 4.31Å; I466-E476 HydrophobicContact CG2-CB 4.5Å; I466-E476 HydrophobicContact CG2-CG 4.02Å; I466-E476 WeakPolarHBondContact CG2-OE2 3.32Å; I466-I589 CarbonylContact O-C 3.46Å; I466-I589 WeakPolarHBondContact O-CA 3.5Å; I466-I590 HydrophobicContact CB-CB 4.11Å; I466-I590 HydrophobicContact CB-CG1 4.46Å; I466-I590 PolarHBondContact N-O 3.49Å; I466-I590 PolarHBondContact O-N 3.39Å
467	F	98.1	Very high	94.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	116.7	170.6	-58.4	-97.6	0	0	0	107.8	H417 F421 L431 P432 L433 M435 H465 L574 P587 V588 I589	H417-F467 HydrophobicContact CB-CE2 4.35Å; H417-F467 HydrophobicContact CB-CZ 4.2Å; F421-F467 HydrophobicContact CB-CD1 4.27Å; F421-F467 HydrophobicContact CB-CE1 3.88Å; F421-F467 HydrophobicContact CB-CE2 4.42Å; F421-F467 HydrophobicContact CB-CZ 3.97Å; F421-F467 HydrophobicContact CD2-CB 3.77Å; F421-F467 AromaticContact CD2-CD1 3.42Å; F421-F467 HydrophobicContact CD2-CD1 3.42Å; F421-F467 VanDerWaalsContact CD2-CD1 3.42Å; F421-F467 AromaticContact CD2-CD2 3.9Å; F421-F467 HydrophobicContact CD2-CD2 3.9Å; F421-F467 AromaticContact CD2-CE1 3.93Å; F421-F467 HydrophobicContact CD2-CE1 3.93Å; F421-F467 HydrophobicContact CD2-CE2 4.36Å; F421-F467 AromaticContact CD2-CG 3.41Å; F421-F467 HydrophobicContact CD2-CG 3.41Å; F421-F467 VanDerWaalsContact CD2-CG 3.41Å; F421-F467 HydrophobicContact CD2-CZ 4.38Å; F421-F467 HydrophobicContact CE2-CB 3.59Å; F421-F467 AromaticContact CE2-CD1 3.87Å; F421-F467 HydrophobicContact CE2-CD1 3.87Å; F421-F467 AromaticContact CE2-CG 3.78Å; F421-F467 HydrophobicContact CE2-CG 3.78Å; F421-F467 AromaticContact CG-CD1 3.88Å; F421-F467 HydrophobicContact CG-CD1 3.88Å; F421-F467 AromaticContact CG-CE1 3.98Å; F421-F467 HydrophobicContact CG-CE1 3.98Å; F421-F467 HydrophobicContact CG-CG 4.28Å; F421-F467 HydrophobicContact CG-CZ 4.46Å; L431-F467 HydrophobicContact CD2-CB 4.41Å; L431-F467 WeakPolarHBondContact CD2-O 3.32Å; P432-F467 CarbonylContact C-O 3.57Å; P432-F467 WeakPolarHBondContact CA-O 3.49Å; L433-F467 HydrophobicContact CB-CB 4.34Å; L433-F467 PolarHBondContact N-O 3.23Å; L433-F467 PolarHBondContact O-N 3.46Å; M435-F467 HydrophobicContact CE-CE2 4.36Å; M435-F467 HydrophobicContact SD-CE2 4.18Å; H465-F467 HydrophobicContact CB-CE2 4.08Å; H465-F467 HydrophobicContact CB-CZ 4.5Å; F467-L574 HydrophobicContact CD1-CD1 4.36Å; F467-L574 HydrophobicContact CE1-CD1 3.83Å; F467-P587 HydrophobicContact CB-CB 4.27Å; F467-P587 HydrophobicContact CD1-CB 4.49Å; F467-P587 HydrophobicContact CD1-CG 4.31Å; F467-V588 WeakPolarHBondContact CA-O 3.48Å; F467-I589 HydrophobicContact CD1-CD1 4.11Å; F467-I589 HydrophobicContact CD1-CG1 3.69Å; F467-I589 HydrophobicContact CE1-CD1 3.53Å; F467-I589 HydrophobicContact CE1-CG1 3.64Å; F467-I589 HydrophobicContact CZ-CD1 4.26Å; F467-I589 HydrophobicContact CZ-CG1 4.48Å
468	C	96.3	Very high	94	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	166	-177.2	63.9	0	0	0	0	111.2	P432 I466 Q472 E476 P587 V588	P432-C468 HydrophobicContact CB-CB 4.12Å; I466-C468 HydrophobicContact CG2-CB 4.31Å; C468-Q472 HydrophobicContact CB-CB 3.96Å; C468-E476 HydrophobicContact CB-CG 4.3Å; C468-P587 CarbonylContact O-C 3.59Å; C468-P587 WeakPolarHBondContact O-CA 3.21Å; C468-V588 PolarHBondContact N-O 3.05Å; C468-V588 PolarHBondContact O-N 3.2Å
469	S	92.8	Very high	93.9	Very high	13 Å²	13	30.7 Å²	30.7	9%	0.091	16%	0.159	C	C	.	.			trans	-79.4	162.5	168.5	58	0	0	0	0	111	D471 Q472	S469-D471 VanDerWaalsContact CB-OD1 3.29Å; S469-D471 WeakPolarHBondContact CB-OD1 3.36Å; S469-D471 PolarHBondContact O-N 2.87Å; S469-D471 PolarHBondContact OG-OD1 3.45Å; S469-D471 VanDerWaalsContact OG-OD1 3.05Å; S469-D471 PolarHBondContact OG-OD2 3.23Å; S469-Q472 PolarHBondContact O-N 3.16Å; S469-Q472 VanDerWaalsContact OG-CG 3.22Å; S469-Q472 WeakPolarHBondContact OG-CG 3.4Å; S469-Q472 PolarHBondContact OG-OE1 2.89Å
470	I	87.6	Confident	93.8	Very high	75 Å²	75	30.3 Å²	30.3	39%	0.385	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-61.2	-33.7	-176.7	-66.8	172	0	0	0	112.1	Q472 I473 Q519 V588	I470-Q472 VanDerWaalsContact C-N 3.3Å; I470-I473 HydrophobicContact CB-CD1 4.49Å; I470-I473 HydrophobicContact CG2-CD1 4.33Å; I470-I473 WeakPolarHBondContact O-CG1 3.39Å; I470-Q519 PolarHBondContact O-NE2 2.88Å; I470-V588 HydrophobicContact CG1-CG2 3.7Å
471	D	88.6	Confident	93.7	Very high	132 Å²	132	28.6 Å²	28.6	71%	0.706	15%	0.15	S	C	*	.	G	3₁₀ helix	trans	-71.6	-22.9	177	49.2	-66.2	0	0	0	113.2	S469	S469-D471 VanDerWaalsContact CB-OD1 3.29Å; S469-D471 WeakPolarHBondContact CB-OD1 3.36Å; S469-D471 PolarHBondContact O-N 2.87Å; S469-D471 PolarHBondContact OG-OD1 3.45Å; S469-D471 VanDerWaalsContact OG-OD1 3.05Å; S469-D471 PolarHBondContact OG-OD2 3.23Å
472	Q	92.3	Very high	93.7	Very high	35 Å²	35	30.6 Å²	30.6	16%	0.164	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-87.2	-9.3	178.7	-71.4	170.5	-34.6	0	0	114	L431 C468 S469 I470 E474 E475 E476	L431-Q472 PolarHBondContact O-NE2 3.18Å; L431-Q472 VanDerWaalsContact O-NE2 3.12Å; C468-Q472 HydrophobicContact CB-CB 3.96Å; S469-Q472 PolarHBondContact O-N 3.16Å; S469-Q472 VanDerWaalsContact OG-CG 3.22Å; S469-Q472 WeakPolarHBondContact OG-CG 3.4Å; S469-Q472 PolarHBondContact OG-OE1 2.89Å; I470-Q472 VanDerWaalsContact C-N 3.3Å; Q472-E474 VanDerWaalsContact C-N 3.34Å; Q472-E474 PolarHBondContact O-N 2.8Å; Q472-E475 PolarHBondContact O-N 2.78Å; Q472-E476 PolarHBondContact O-N 3.03Å; Q472-E476 VanDerWaalsContact O-N 3.1Å
473	I	90.4	Very high	93.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-54.3	-49.2	-174.8	-68.3	172.2	0	0	0	111.5	I470 E475 E476 I477 L564 F566 V588	I470-I473 HydrophobicContact CB-CD1 4.49Å; I470-I473 HydrophobicContact CG2-CD1 4.33Å; I470-I473 WeakPolarHBondContact O-CG1 3.39Å; I473-E475 PolarHBondContact O-N 3.04Å; I473-E476 PolarHBondContact O-N 3.35Å; I473-I477 HydrophobicContact CG2-CG1 4.08Å; I473-I477 WeakPolarHBondContact O-CG1 3.46Å; I473-I477 PolarHBondContact O-N 3.15Å; I473-L564 HydrophobicContact CG2-CD1 4.1Å; I473-L564 HydrophobicContact CG2-CD2 3.91Å; I473-F566 HydrophobicContact CD1-CE1 4.27Å; I473-F566 HydrophobicContact CD1-CZ 4.32Å; I473-V588 HydrophobicContact CD1-CB 4.29Å; I473-V588 HydrophobicContact CD1-CG1 4.03Å; I473-V588 HydrophobicContact CD1-CG2 4.16Å; I473-V588 HydrophobicContact CG1-CB 4.49Å; I473-V588 HydrophobicContact CG1-CG1 4.37Å
474	E	90.1	Very high	93.7	Very high	58 Å²	58	30.2 Å²	30.2	27%	0.271	16%	0.16	S	C	.	.	H	α-helix	trans	-63.3	-42.3	-174.4	-164.7	-175.9	133.1	0	0	112.1	Q472 I477 K478	Q472-E474 VanDerWaalsContact C-N 3.34Å; Q472-E474 PolarHBondContact O-N 2.8Å; E474-I477 PolarHBondContact O-N 3.11Å; E474-K478 VanDerWaalsContact O-CG 3.29Å; E474-K478 WeakPolarHBondContact O-CG 3.26Å; E474-K478 PolarHBondContact O-N 3.28Å; E474-K478 WeakPolarHBondContact OE1-CE 3.5Å; E474-K478 IonicContact OE1-NZ 2.74Å; E474-K478 PolarHBondContact OE1-NZ 2.91Å
475	E	93.2	Very high	93.5	Very high	134 Å²	134	33.8 Å²	33.8	63%	0.626	17%	0.174	S	C	*	.	H	α-helix	trans	-63.4	-43.9	176.9	-173.4	179.5	175.6	0	0	111.6	Q472 I473 K478 G479	Q472-E475 PolarHBondContact O-N 2.78Å; I473-E475 PolarHBondContact O-N 3.04Å; E475-K478 WeakPolarHBondContact O-CB 3.48Å; E475-K478 PolarHBondContact O-N 2.88Å; E475-G479 PolarHBondContact O-N 3.36Å
476	E	95.1	Very high	93.3	Very high	9 Å²	9	35.5 Å²	35.5	4%	0.042	18%	0.184	C	C	.	.	H	α-helix	trans	-70.3	-34.9	-179.8	-68.3	-57.3	120.4	0	0	112.9	P432 R434 I466 C468 Q472 I473 G479 C480 I590	P432-E476 HydrophobicContact CB-CG 4.09Å; P432-E476 HydrophobicContact CG-CG 4.48Å; P432-E476 VanDerWaalsContact CG-OE1 3.3Å; P432-E476 WeakPolarHBondContact CG-OE1 3.37Å; R434-E476 IonicContact CZ-OE1 2.89Å; R434-E476 IonicContact CZ-OE2 3.21Å; R434-E476 IonicContact NE-OE1 3.99Å; R434-E476 IonicContact NE-OE2 2.7Å; R434-E476 PolarHBondContact NE-OE2 3.06Å; R434-E476 IonicContact NH2-OE1 2.99Å; R434-E476 PolarHBondContact NH2-OE1 2.91Å; R434-E476 IonicContact NH2-OE2 3.98Å; R434-E476 PolarHBondContact NH2-OE2 3.41Å; I466-E476 HydrophobicContact CG2-CB 4.5Å; I466-E476 HydrophobicContact CG2-CG 4.02Å; I466-E476 WeakPolarHBondContact CG2-OE2 3.32Å; C468-E476 HydrophobicContact CB-CG 4.3Å; Q472-E476 PolarHBondContact O-N 3.03Å; Q472-E476 VanDerWaalsContact O-N 3.1Å; I473-E476 PolarHBondContact O-N 3.35Å; E476-G479 PolarHBondContact O-N 3.02Å; E476-C480 PolarHBondContact O-N 3.21Å; E476-C480 PolarHBondContact O-SG 3.47Å; E476-I590 HydrophobicContact CB-CD1 3.51Å; E476-I590 HydrophobicContact CG-CD1 4.45Å
477	I	93	Very high	93.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-64.7	-44.1	172.8	-65.3	-66.8	0	0	0	110.2	I473 E474 G479 C480 L481 L520 I545 I562 L564 I590	I473-I477 HydrophobicContact CG2-CG1 4.08Å; I473-I477 WeakPolarHBondContact O-CG1 3.46Å; I473-I477 PolarHBondContact O-N 3.15Å; E474-I477 PolarHBondContact O-N 3.11Å; I477-G479 VanDerWaalsContact C-N 3.33Å; I477-G479 PolarHBondContact O-N 2.99Å; I477-C480 WeakPolarHBondContact O-CB 3.42Å; I477-C480 PolarHBondContact O-N 3.4Å; I477-C480 VanDerWaalsContact O-N 3.14Å; I477-L481 HydrophobicContact CG2-CD1 4.08Å; I477-L481 HydrophobicContact CG2-CG 4.42Å; I477-L481 WeakPolarHBondContact O-CG 3.45Å; I477-L481 PolarHBondContact O-N 2.77Å; I477-L520 HydrophobicContact CD1-CD2 3.68Å; I477-L520 HydrophobicContact CG1-CD2 3.85Å; I477-L520 HydrophobicContact CG2-CD2 4.15Å; I477-I545 HydrophobicContact CG2-CD1 3.95Å; I477-I562 HydrophobicContact CD1-CG2 3.32Å; I477-L564 HydrophobicContact CD1-CD2 4.15Å; I477-I590 HydrophobicContact CD1-CD1 4.08Å; I477-I590 HydrophobicContact CD1-CG2 3.94Å; I477-I590 HydrophobicContact CG1-CD1 4.3Å
478	K	92.3	Very high	92.8	Very high	61 Å²	61	35.5 Å²	35.5	27%	0.265	18%	0.184	S	C	.	.	H	α-helix	trans	-58.2	-45.4	174.3	-74.2	169.4	177.4	175.6	0	111.4	E474 E475 C480 L481 D482 E526	E474-K478 VanDerWaalsContact O-CG 3.29Å; E474-K478 WeakPolarHBondContact O-CG 3.26Å; E474-K478 PolarHBondContact O-N 3.28Å; E474-K478 WeakPolarHBondContact OE1-CE 3.5Å; E474-K478 IonicContact OE1-NZ 2.74Å; E474-K478 PolarHBondContact OE1-NZ 2.91Å; E475-K478 WeakPolarHBondContact O-CB 3.48Å; E475-K478 PolarHBondContact O-N 2.88Å; K478-C480 VanDerWaalsContact C-N 3.3Å; K478-C480 PolarHBondContact O-N 2.64Å; K478-L481 PolarHBondContact O-N 2.88Å; K478-D482 PolarHBondContact O-N 2.95Å; K478-E526 VanDerWaalsContact CE-CD 3.4Å; K478-E526 WeakPolarHBondContact CE-OE1 3.34Å; K478-E526 WeakPolarHBondContact CE-OE2 3.37Å; K478-E526 IonicContact NZ-OE1 2.78Å; K478-E526 PolarHBondContact NZ-OE1 2.86Å; K478-E526 IonicContact NZ-OE2 2.72Å; K478-E526 PolarHBondContact NZ-OE2 3.07Å
479	G	94.8	Very high	92.6	Very high	36 Å²	36	41.3 Å²	41.3	37%	0.371	21%	0.211	S	C	.	.	H	α-helix	trans	-60.6	-36.7	175.1	0	0	0	0	0	113.5	E475 E476 I477 F483	E475-G479 PolarHBondContact O-N 3.36Å; E476-G479 PolarHBondContact O-N 3.02Å; I477-G479 VanDerWaalsContact C-N 3.33Å; I477-G479 PolarHBondContact O-N 2.99Å; G479-F483 WeakPolarHBondContact O-CB 3.42Å; G479-F483 PolarHBondContact O-N 3.43Å
480	C	94.8	Very high	92.6	Very high	3 Å²	3	42 Å²	42	2%	0.02	22%	0.215	C	C	.	.	H	α-helix	trans	-70	-39.8	175.1	-69.2	0	0	0	0	112.6	E476 I477 K478 F483 L484 I562	E476-C480 PolarHBondContact O-N 3.21Å; E476-C480 PolarHBondContact O-SG 3.47Å; I477-C480 WeakPolarHBondContact O-CB 3.42Å; I477-C480 PolarHBondContact O-N 3.4Å; I477-C480 VanDerWaalsContact O-N 3.14Å; K478-C480 VanDerWaalsContact C-N 3.3Å; K478-C480 PolarHBondContact O-N 2.64Å; C480-F483 PolarHBondContact O-N 3.12Å; C480-L484 WeakPolarHBondContact O-CB 3.29Å; C480-L484 PolarHBondContact O-N 3.37Å; C480-I562 HydrophobicContact CB-CD1 3.59Å; C480-I562 HydrophobicContact CB-CG1 4.12Å; C480-I562 HydrophobicContact CB-CG2 4.43Å
481	L	93.1	Very high	92.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-67.8	-38.7	176.6	-68.9	172.2	0	0	0	112.1	I477 K478 F483 L484 R485 F527 I545 I562	I477-L481 HydrophobicContact CG2-CD1 4.08Å; I477-L481 HydrophobicContact CG2-CG 4.42Å; I477-L481 WeakPolarHBondContact O-CG 3.45Å; I477-L481 PolarHBondContact O-N 2.77Å; K478-L481 PolarHBondContact O-N 2.88Å; L481-F483 VanDerWaalsContact C-N 3.35Å; L481-L484 WeakPolarHBondContact O-CB 3.44Å; L481-L484 PolarHBondContact O-N 3.26Å; L481-R485 PolarHBondContact O-N 3.2Å; L481-F527 HydrophobicContact CB-CD2 3.7Å; L481-F527 HydrophobicContact CB-CE2 3.72Å; L481-F527 HydrophobicContact CB-CG 4.22Å; L481-F527 HydrophobicContact CB-CZ 4.28Å; L481-F527 HydrophobicContact CD1-CB 4.04Å; L481-F527 HydrophobicContact CD1-CD2 4.34Å; L481-F527 HydrophobicContact CD1-CG 4.12Å; L481-F527 WeakPolarHBondContact O-CE2 3.47Å; L481-I545 HydrophobicContact CD2-CD1 4.48Å; L481-I562 HydrophobicContact CD2-CD1 3.85Å; L481-I562 HydrophobicContact CG-CD1 4.16Å
482	D	94.1	Very high	92.8	Very high	76 Å²	76	33.7 Å²	33.7	41%	0.406	18%	0.178	S	C	.	.	H	α-helix	trans	-61.9	-43.1	170.7	173.2	78.3	0	0	0	111.7	R368 K478 L484 R485 T486	R368-D482 IonicContact CZ-OD2 3.2Å; R368-D482 IonicContact NE-OD2 3.41Å; R368-D482 IonicContact NH2-OD2 3.84Å; R368-D482 PolarHBondContact NH2-OD2 3.29Å; K478-D482 PolarHBondContact O-N 2.95Å; D482-L484 VanDerWaalsContact C-N 3.34Å; D482-L484 PolarHBondContact O-N 2.87Å; D482-R485 PolarHBondContact O-N 3.06Å; D482-T486 PolarHBondContact O-N 2.99Å; D482-T486 PolarHBondContact O-OG1 3.25Å
483	F	95.3	Very high	92.5	Very high	1 Å²	1	32.7 Å²	32.7	0%	0.004	17%	0.173	C	C	.	.	H	α-helix	trans	-62.5	-44.7	177.4	-170.2	-168.8	0	0	0	111.2	I361 E364 Y365 G479 C480 L481 R485 T486 V487 I594	I361-F483 HydrophobicContact CD1-CE2 4.44Å; I361-F483 HydrophobicContact CD1-CZ 4.13Å; I361-F483 HydrophobicContact CG2-CZ 4.25Å; E364-F483 HydrophobicContact CB-CD2 3.99Å; E364-F483 HydrophobicContact CB-CE1 4.37Å; E364-F483 HydrophobicContact CB-CE2 3.11Å; E364-F483 HydrophobicContact CB-CZ 3.34Å; E364-F483 HydrophobicContact CG-CD2 4.48Å; E364-F483 HydrophobicContact CG-CE2 3.64Å; E364-F483 HydrophobicContact CG-CZ 4.25Å; Y365-F483 AromaticContact CD1-CE1 3.97Å; Y365-F483 HydrophobicContact CD1-CE1 3.97Å; Y365-F483 HydrophobicContact CD1-CZ 4.43Å; Y365-F483 AromaticContact CE1-CE1 3.96Å; Y365-F483 HydrophobicContact CE1-CE1 3.96Å; G479-F483 WeakPolarHBondContact O-CB 3.42Å; G479-F483 PolarHBondContact O-N 3.43Å; C480-F483 PolarHBondContact O-N 3.12Å; L481-F483 VanDerWaalsContact C-N 3.35Å; F483-R485 PolarHBondContact O-N 3.44Å; F483-T486 PolarHBondContact O-N 2.9Å; F483-V487 HydrophobicContact CD2-CG2 3.68Å; F483-V487 HydrophobicContact CE2-CG2 3.25Å; F483-V487 HydrophobicContact CZ-CG2 4.18Å; F483-V487 WeakPolarHBondContact O-CG2 3.26Å; F483-V487 PolarHBondContact O-N 3.29Å; F483-I594 HydrophobicContact CD1-CD1 4.4Å; F483-I594 HydrophobicContact CD1-CG1 3.92Å; F483-I594 HydrophobicContact CE1-CG1 4.08Å; F483-I594 HydrophobicContact CG-CG1 4.3Å
484	L	93.2	Very high	92.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-54.4	-51.3	173.9	-179.3	78.2	0	0	0	111.6	C480 L481 D482 T486 V487 Y488 F495 L497 I547 A560 I594	C480-L484 WeakPolarHBondContact O-CB 3.29Å; C480-L484 PolarHBondContact O-N 3.37Å; L481-L484 WeakPolarHBondContact O-CB 3.44Å; L481-L484 PolarHBondContact O-N 3.26Å; D482-L484 VanDerWaalsContact C-N 3.34Å; D482-L484 PolarHBondContact O-N 2.87Å; L484-T486 PolarHBondContact O-N 3.26Å; L484-V487 PolarHBondContact O-N 3.12Å; L484-Y488 HydrophobicContact CD1-CD1 4.21Å; L484-Y488 HydrophobicContact CD1-CD2 4.05Å; L484-Y488 HydrophobicContact CD1-CE1 3.77Å; L484-Y488 HydrophobicContact CD1-CE2 3.59Å; L484-Y488 HydrophobicContact CD1-CG 4.34Å; L484-Y488 VanDerWaalsContact CD1-CZ 3.43Å; L484-Y488 HydrophobicContact CG-CD2 4.3Å; L484-Y488 HydrophobicContact CG-CE2 4.28Å; L484-Y488 WeakPolarHBondContact O-CB 3.3Å; L484-Y488 PolarHBondContact O-N 3.24Å; L484-F495 HydrophobicContact CD2-CE2 4.35Å; L484-L497 HydrophobicContact CD2-CD2 4.37Å; L484-I547 HydrophobicContact CD1-CG2 4.25Å; L484-I547 HydrophobicContact CD2-CB 4.41Å; L484-I547 HydrophobicContact CD2-CD1 4.23Å; L484-I547 HydrophobicContact CD2-CG1 3.75Å; L484-I547 HydrophobicContact CD2-CG2 3.95Å; L484-A560 HydrophobicContact CD1-CB 3.42Å; L484-A560 VanDerWaalsContact CD1-CB 3.42Å; L484-I594 HydrophobicContact CB-CD1 4.05Å; L484-I594 HydrophobicContact CD1-CD1 4.24Å; L484-I594 HydrophobicContact CD1-CG2 4.17Å
485	R	92.1	Very high	91.9	Very high	75 Å²	75	36.9 Å²	36.9	28%	0.283	20%	0.199	S	C	.	.	H	α-helix	trans	-55.8	-51	178.5	-176.8	-178.9	-67.5	171	-2.1	111.1	L481 D482 F483 V487 Y488 E489 F527	L481-R485 PolarHBondContact O-N 3.2Å; D482-R485 PolarHBondContact O-N 3.06Å; F483-R485 PolarHBondContact O-N 3.44Å; R485-V487 VanDerWaalsContact C-N 3.28Å; R485-V487 PolarHBondContact O-N 3.41Å; R485-Y488 PolarHBondContact O-N 3.41Å; R485-E489 WeakPolarHBondContact CD-OE1 3.49Å; R485-E489 HydrophobicContact CG-CG 4.19Å; R485-E489 WeakPolarHBondContact CG-OE1 3.49Å; R485-E489 WeakPolarHBondContact O-CB 3.44Å; R485-E489 VanDerWaalsContact O-CG 3.3Å; R485-E489 WeakPolarHBondContact O-CG 3.38Å; R485-E489 PolarHBondContact O-N 3.36Å; R485-F527 HydrophobicContact CB-CE2 4.33Å; R485-F527 HydrophobicContact CB-CZ 4.14Å; R485-F527 VanDerWaalsContact NH2-CD2 3.29Å; R485-F527 VanDerWaalsContact NH2-CZ 3.32Å; R485-F527 PolarHBondContact NH2-O 3.28Å
486	T	93.8	Very high	91.7	Very high	37 Å²	37	34.1 Å²	34.1	23%	0.227	19%	0.185	C	C	.	.	H	α-helix	trans	-54.8	-44.1	179.6	-59.6	0	0	0	0	111.8	R368 D482 F483 L484 V490	R368-T486 PolarHBondContact NH2-OG1 3.04Å; R368-T486 VanDerWaalsContact NH2-OG1 3.08Å; D482-T486 PolarHBondContact O-N 2.99Å; D482-T486 PolarHBondContact O-OG1 3.25Å; F483-T486 PolarHBondContact O-N 2.9Å; L484-T486 PolarHBondContact O-N 3.26Å; T486-V490 WeakPolarHBondContact O-CG2 3.45Å
487	V	94.3	Very high	91.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-73.4	-42.9	-177.9	174.6	0	0	0	0	111.5	F360 I361 F483 L484 R485 V490 F491 I594 L595	F360-V487 HydrophobicContact CE1-CB 4.4Å; F360-V487 HydrophobicContact CE1-CG1 3.85Å; F360-V487 HydrophobicContact CE1-CG2 4.31Å; F360-V487 HydrophobicContact CZ-CB 4.31Å; F360-V487 HydrophobicContact CZ-CG1 4.26Å; F360-V487 HydrophobicContact CZ-CG2 4Å; I361-V487 HydrophobicContact CD1-CG1 4.13Å; I361-V487 HydrophobicContact CD1-CG2 3.88Å; F483-V487 HydrophobicContact CD2-CG2 3.68Å; F483-V487 HydrophobicContact CE2-CG2 3.25Å; F483-V487 HydrophobicContact CZ-CG2 4.18Å; F483-V487 WeakPolarHBondContact O-CG2 3.26Å; F483-V487 PolarHBondContact O-N 3.29Å; L484-V487 PolarHBondContact O-N 3.12Å; R485-V487 VanDerWaalsContact C-N 3.28Å; R485-V487 PolarHBondContact O-N 3.41Å; V487-V490 PolarHBondContact O-N 2.91Å; V487-F491 HydrophobicContact CG1-CD2 3.99Å; V487-F491 HydrophobicContact CG1-CE2 3.47Å; V487-F491 VanDerWaalsContact CG1-CE2 3.47Å; V487-F491 HydrophobicContact CG1-CZ 4.43Å; V487-F491 WeakPolarHBondContact O-CD2 3.46Å; V487-F491 PolarHBondContact O-N 2.89Å; V487-I594 HydrophobicContact CB-CG2 3.72Å; V487-I594 HydrophobicContact CG1-CG2 3.84Å; V487-I594 HydrophobicContact CG2-CG2 3.87Å; V487-L595 HydrophobicContact CG1-CD2 3.84Å
488	Y	91.8	Very high	91.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-76.1	-30.7	-173.5	-76.2	19	0	0	0	112	L484 R485 V490 F491 G492 F493 F495 I547 I549 A560 I594	L484-Y488 HydrophobicContact CD1-CD1 4.21Å; L484-Y488 HydrophobicContact CD1-CD2 4.05Å; L484-Y488 HydrophobicContact CD1-CE1 3.77Å; L484-Y488 HydrophobicContact CD1-CE2 3.59Å; L484-Y488 HydrophobicContact CD1-CG 4.34Å; L484-Y488 VanDerWaalsContact CD1-CZ 3.43Å; L484-Y488 HydrophobicContact CG-CD2 4.3Å; L484-Y488 HydrophobicContact CG-CE2 4.28Å; L484-Y488 WeakPolarHBondContact O-CB 3.3Å; L484-Y488 PolarHBondContact O-N 3.24Å; R485-Y488 PolarHBondContact O-N 3.41Å; Y488-V490 VanDerWaalsContact C-N 3.34Å; Y488-V490 PolarHBondContact O-N 2.71Å; Y488-F491 CarbonylContact O-C 3.6Å; Y488-F491 PolarHBondContact O-N 2.96Å; Y488-G492 PolarHBondContact O-N 2.82Å; Y488-F493 PolarHBondContact O-N 3.3Å; Y488-F495 HydrophobicContact CD2-CB 4.12Å; Y488-F495 AromaticContact CD2-CD1 3.72Å; Y488-F495 HydrophobicContact CD2-CD1 3.72Å; Y488-F495 HydrophobicContact CD2-CE1 4.45Å; Y488-F495 HydrophobicContact CD2-CG 4.09Å; Y488-F495 HydrophobicContact CE2-CB 4.31Å; Y488-I547 HydrophobicContact CE2-CG2 3.84Å; Y488-I549 HydrophobicContact CD2-CD1 4.43Å; Y488-I549 HydrophobicContact CD2-CG1 4.23Å; Y488-I549 HydrophobicContact CE1-CD1 4.19Å; Y488-I549 HydrophobicContact CE2-CD1 3.65Å; Y488-I549 HydrophobicContact CE2-CG1 3.45Å; Y488-I549 VanDerWaalsContact CE2-CG1 3.45Å; Y488-I549 WeakPolarHBondContact OH-CD1 3.49Å; Y488-A560 WeakPolarHBondContact OH-CB 3.34Å; Y488-A560 PolarHBondContact OH-N 3.14Å; Y488-I594 HydrophobicContact CE1-CG2 4.06Å; Y488-I594 VanDerWaalsContact CE1-O 3.23Å; Y488-I594 WeakPolarHBondContact CE1-O 3.49Å; Y488-I594 PolarHBondContact OH-O 3.04Å
489	E	91.3	Very high	91.4	Very high	122 Å²	122	31.4 Å²	31.4	57%	0.57	17%	0.174	S	C	*	.	H	α-helix	trans	-61	-41.2	170.9	-78	178.1	-178.2	0	0	112.1	R485 F491 G492	R485-E489 WeakPolarHBondContact CD-OE1 3.49Å; R485-E489 HydrophobicContact CG-CG 4.19Å; R485-E489 WeakPolarHBondContact CG-OE1 3.49Å; R485-E489 WeakPolarHBondContact O-CB 3.44Å; R485-E489 VanDerWaalsContact O-CG 3.3Å; R485-E489 WeakPolarHBondContact O-CG 3.38Å; R485-E489 PolarHBondContact O-N 3.36Å; E489-F491 VanDerWaalsContact C-N 3.29Å; E489-F491 PolarHBondContact O-N 3.23Å; E489-G492 PolarHBondContact O-N 2.93Å
490	V	93.8	Very high	91.2	Very high	28 Å²	28	29.7 Å²	29.7	17%	0.17	16%	0.156	C	C	.	.	H	α-helix	trans	-60.3	-40.3	176.2	169.3	0	0	0	0	111.3	F360 T486 V487 Y488 G492 W616 R716	F360-V490 HydrophobicContact CE1-CB 4.38Å; F360-V490 HydrophobicContact CE1-CG1 4.17Å; F360-V490 HydrophobicContact CZ-CB 4.08Å; F360-V490 HydrophobicContact CZ-CG1 4.12Å; F360-V490 HydrophobicContact CZ-CG2 4.01Å; T486-V490 WeakPolarHBondContact O-CG2 3.45Å; V487-V490 PolarHBondContact O-N 2.91Å; Y488-V490 VanDerWaalsContact C-N 3.34Å; Y488-V490 PolarHBondContact O-N 2.71Å; V490-G492 VanDerWaalsContact C-N 3.31Å; V490-W616 HydrophobicContact CG1-CZ2 3.78Å; V490-R716 HydrophobicContact CG1-CB 3.91Å
491	F	91.7	Very high	90.9	Very high	1 Å²	1	30.6 Å²	30.6	0%	0.004	16%	0.161	C	C	.	.	H	α-helix	trans	-78.9	-15.2	175.5	-61.3	-52.6	0	0	0	113.6	L357 F360 V487 Y488 E489 F493 L595 L605 Y609 W616	L357-F491 HydrophobicContact CD2-CE1 3.84Å; L357-F491 HydrophobicContact CD2-CZ 3.64Å; F360-F491 HydrophobicContact CD1-CZ 4Å; F360-F491 HydrophobicContact CE1-CE1 4.49Å; F360-F491 HydrophobicContact CE1-CE2 4.12Å; F360-F491 AromaticContact CE1-CZ 3.86Å; F360-F491 HydrophobicContact CE1-CZ 3.86Å; V487-F491 HydrophobicContact CG1-CD2 3.99Å; V487-F491 HydrophobicContact CG1-CE2 3.47Å; V487-F491 VanDerWaalsContact CG1-CE2 3.47Å; V487-F491 HydrophobicContact CG1-CZ 4.43Å; V487-F491 WeakPolarHBondContact O-CD2 3.46Å; V487-F491 PolarHBondContact O-N 2.89Å; Y488-F491 CarbonylContact O-C 3.6Å; Y488-F491 PolarHBondContact O-N 2.96Å; E489-F491 VanDerWaalsContact C-N 3.29Å; E489-F491 PolarHBondContact O-N 3.23Å; F491-F493 VanDerWaalsContact C-N 3.34Å; F491-F493 HydrophobicContact CB-CD2 3.5Å; F491-F493 VanDerWaalsContact CB-CD2 3.5Å; F491-F493 HydrophobicContact CB-CE2 3.65Å; F491-F493 HydrophobicContact CB-CG 4.1Å; F491-F493 HydrophobicContact CB-CZ 4.36Å; F491-F493 HydrophobicContact CD2-CD2 4.12Å; F491-F493 HydrophobicContact CD2-CE2 4.1Å; F491-F493 HydrophobicContact CG-CD2 4.16Å; F491-F493 HydrophobicContact CG-CE2 4.03Å; F491-L595 HydrophobicContact CE2-CD2 3.67Å; F491-L595 HydrophobicContact CZ-CD2 4.1Å; F491-L605 HydrophobicContact CB-CD2 4.18Å; F491-L605 HydrophobicContact CD1-CD1 4.28Å; F491-L605 HydrophobicContact CD1-CD2 3.57Å; F491-L605 HydrophobicContact CE1-CD1 3.91Å; F491-L605 HydrophobicContact CE1-CD2 4.07Å; F491-L605 HydrophobicContact CG-CD2 3.9Å; F491-L605 HydrophobicContact CZ-CD1 4.32Å; F491-Y609 PolarHBondContact O-OH 3.38Å; F491-W616 HydrophobicContact CD1-CZ2 4.06Å; F491-W616 AromaticContact CE1-CH2 3.64Å; F491-W616 HydrophobicContact CE1-CH2 3.64Å; F491-W616 AromaticContact CE1-CZ2 3.58Å; F491-W616 HydrophobicContact CE1-CZ2 3.58Å; F491-W616 HydrophobicContact CZ-CH2 4.22Å
492	G	87.8	Confident	90.7	Very high	31 Å²	31	34.2 Å²	34.2	32%	0.32	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	26.2	-173.8	0	0	0	0	0	114	Y488 E489 V490	Y488-G492 PolarHBondContact O-N 2.82Å; E489-G492 PolarHBondContact O-N 2.93Å; V490-G492 VanDerWaalsContact C-N 3.31Å
493	F	86.3	Confident	90.2	Very high	14 Å²	14	31.7 Å²	31.7	6%	0.061	16%	0.163	C	C	.	.			trans	-81.1	143.4	179.1	-73.4	-42.2	0	0	0	112.2	Y488 F491 I549 M601 I604 L605 N608	Y488-F493 PolarHBondContact O-N 3.3Å; F491-F493 VanDerWaalsContact C-N 3.34Å; F491-F493 HydrophobicContact CB-CD2 3.5Å; F491-F493 VanDerWaalsContact CB-CD2 3.5Å; F491-F493 HydrophobicContact CB-CE2 3.65Å; F491-F493 HydrophobicContact CB-CG 4.1Å; F491-F493 HydrophobicContact CB-CZ 4.36Å; F491-F493 HydrophobicContact CD2-CD2 4.12Å; F491-F493 HydrophobicContact CD2-CE2 4.1Å; F491-F493 HydrophobicContact CG-CD2 4.16Å; F491-F493 HydrophobicContact CG-CE2 4.03Å; F493-I549 HydrophobicContact CB-CG2 3.92Å; F493-I549 HydrophobicContact CD1-CG2 3.69Å; F493-I549 HydrophobicContact CD2-CD1 4.09Å; F493-I549 HydrophobicContact CD2-CG2 4Å; F493-I549 HydrophobicContact CE1-CG2 4.15Å; F493-I549 HydrophobicContact CE2-CD1 4.35Å; F493-I549 HydrophobicContact CE2-CG2 4.44Å; F493-I549 HydrophobicContact CG-CG2 3.62Å; F493-M601 HydrophobicContact CE2-SD 3.97Å; F493-I604 HydrophobicContact CE1-CG2 4.16Å; F493-I604 HydrophobicContact CZ-CG2 3.74Å; F493-L605 HydrophobicContact CE2-CD2 3.68Å; F493-L605 HydrophobicContact CE2-CG 4.46Å; F493-L605 HydrophobicContact CZ-CD2 3.47Å; F493-L605 VanDerWaalsContact CZ-CD2 3.47Å; F493-L605 HydrophobicContact CZ-CG 4.22Å; F493-N608 HydrophobicContact CE1-CB 3.85Å; F493-N608 VanDerWaalsContact CE1-CG 3.46Å; F493-N608 HydrophobicContact CZ-CB 4.36Å
494	T	82.8	Confident	89.6	Confident	96 Å²	96	41 Å²	41	59%	0.589	21%	0.206	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-98.1	145.4	162.8	60.2	0	0	0	0	108.8	K550	T494-K550 PolarHBondContact O-N 3.4Å; T494-K550 VanDerWaalsContact O-N 3.16Å
495	F	86.1	Confident	88.8	Confident	50 Å²	50	49.7 Å²	49.7	22%	0.219	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	153.2	-175.8	57.7	-89.6	0	0	0	112.1	L484 Y488 L497 F527 I547 Q548	L484-F495 HydrophobicContact CD2-CE2 4.35Å; Y488-F495 HydrophobicContact CD2-CB 4.12Å; Y488-F495 AromaticContact CD2-CD1 3.72Å; Y488-F495 HydrophobicContact CD2-CD1 3.72Å; Y488-F495 HydrophobicContact CD2-CE1 4.45Å; Y488-F495 HydrophobicContact CD2-CG 4.09Å; Y488-F495 HydrophobicContact CE2-CB 4.31Å; F495-L497 HydrophobicContact CD2-CD2 3.88Å; F495-L497 HydrophobicContact CD2-CG 4.02Å; F495-L497 HydrophobicContact CE2-CD1 4.2Å; F495-L497 HydrophobicContact CE2-CD2 3.98Å; F495-L497 HydrophobicContact CE2-CG 4.03Å; F495-F527 HydrophobicContact CE2-CE1 4.05Å; F495-F527 HydrophobicContact CZ-CE1 4.12Å; F495-F527 HydrophobicContact CZ-CZ 4.24Å; F495-I547 HydrophobicContact CB-CG2 3.83Å; F495-I547 HydrophobicContact CD2-CG2 4.13Å; F495-I547 HydrophobicContact CG-CG2 4.21Å; F495-Q548 CarbonylContact C-O 3.54Å; F495-Q548 VanDerWaalsContact CA-O 3.24Å; F495-Q548 WeakPolarHBondContact CA-O 3.5Å
496	K	88.4	Confident	88.1	Confident	76 Å²	76	49.1 Å²	49.1	33%	0.33	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	132.9	171.4	-176.2	-177.9	178	-172.3	0	108.5	N498 V532 Q548 Y556	K496-N498 WeakPolarHBondContact CE-OD1 3.45Å; K496-V532 VanDerWaalsContact CE-CG2 3.45Å; K496-Q548 HydrophobicContact CB-CB 4.48Å; K496-Q548 PolarHBondContact N-O 2.93Å; K496-Q548 PolarHBondContact O-N 2.88Å; K496-Y556 HydrophobicContact CB-CE1 4.26Å
497	L	91.2	Very high	87.1	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	130.3	175.7	-61.6	173.1	0	0	0	109.2	L484 F495 L524 F527 E529 W531 V532 I545 I547	L484-L497 HydrophobicContact CD2-CD2 4.37Å; F495-L497 HydrophobicContact CD2-CD2 3.88Å; F495-L497 HydrophobicContact CD2-CG 4.02Å; F495-L497 HydrophobicContact CE2-CD1 4.2Å; F495-L497 HydrophobicContact CE2-CD2 3.98Å; F495-L497 HydrophobicContact CE2-CG 4.03Å; L497-L524 HydrophobicContact CB-CD2 4.25Å; L497-L524 HydrophobicContact CD1-CD2 3.81Å; L497-L524 HydrophobicContact CG-CD2 4.49Å; L497-F527 HydrophobicContact CD1-CD1 3.83Å; L497-F527 HydrophobicContact CD1-CE1 3.94Å; L497-E529 HydrophobicContact CD1-CB 3.93Å; L497-W531 HydrophobicContact CB-CB 3.74Å; L497-W531 CarbonylContact O-C 3.6Å; L497-W531 VanDerWaalsContact O-CA 3.23Å; L497-W531 WeakPolarHBondContact O-CA 3.26Å; L497-V532 PolarHBondContact O-N 3.12Å; L497-I545 HydrophobicContact CD2-CG2 4.2Å; L497-I547 HydrophobicContact CD2-CB 4.39Å; L497-I547 HydrophobicContact CD2-CG1 3.52Å; L497-I547 HydrophobicContact CD2-CG2 4.29Å
498	N	91.1	Very high	86.1	Confident	10 Å²	10	52.1 Å²	52.1	5%	0.053	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	130.2	171.6	-53.6	-68.4	0	0	0	109.9	K496 V532 N534 I545 D546 Q548	K496-N498 WeakPolarHBondContact CE-OD1 3.45Å; N498-V532 CarbonylContact C-O 3.54Å; N498-V532 VanDerWaalsContact CA-O 3.22Å; N498-V532 WeakPolarHBondContact CA-O 3.38Å; N498-N534 HydrophobicContact CB-CB 4.36Å; N498-I545 WeakPolarHBondContact O-CA 3.4Å; N498-D546 HydrophobicContact CB-CB 4.41Å; N498-D546 PolarHBondContact N-O 3.28Å; N498-D546 PolarHBondContact O-N 3.44Å; N498-Q548 VanDerWaalsContact ND2-CD 3.3Å; N498-Q548 PolarHBondContact ND2-OE1 3Å; N498-Q548 VanDerWaalsContact ND2-OE1 3.07Å
499	L	91.8	Very high	85.5	Confident	4 Å²	4	58.1 Å²	58.1	2%	0.021	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	107	172	178.4	59.4	0	0	0	108.9	T501 L520 E521 L524 W531 V532 L533 N534	L499-T501 HydrophobicContact CG-CG2 4.21Å; L499-L520 HydrophobicContact CD1-CB 3.71Å; L499-L520 HydrophobicContact CD1-CD1 3.99Å; L499-E521 HydrophobicContact CD2-CB 4.01Å; L499-E521 HydrophobicContact CD2-CG 4.4Å; L499-L524 HydrophobicContact CB-CD1 3.83Å; L499-L524 HydrophobicContact CD1-CD1 4.19Å; L499-L524 HydrophobicContact CD2-CD1 4.35Å; L499-L524 HydrophobicContact CG-CD1 4.34Å; L499-W531 HydrophobicContact CB-CE3 3.8Å; L499-W531 HydrophobicContact CB-CZ3 3.81Å; L499-W531 HydrophobicContact CD2-CH2 4.12Å; L499-W531 HydrophobicContact CD2-CZ3 3.89Å; L499-W531 HydrophobicContact CG-CZ3 4.49Å; L499-V532 PolarHBondContact N-O 3.32Å; L499-L533 HydrophobicContact CB-CD1 4.29Å; L499-L533 HydrophobicContact CD2-CD1 4.08Å; L499-L533 HydrophobicContact CG-CD1 4.2Å; L499-N534 PolarHBondContact O-N 2.86Å
500	S	91.3	Very high	85.2	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	111.6	-177.5	-61.2	0	0	0	0	109.9	N534 P543 K544 D546	S500-N534 WeakPolarHBondContact CA-O 3.47Å; S500-P543 WeakPolarHBondContact O-CA 3.27Å; S500-K544 PolarHBondContact N-O 3.4Å; S500-K544 PolarHBondContact O-N 2.91Å; S500-D546 WeakPolarHBondContact CB-OD2 3.4Å; S500-D546 PolarHBondContact OG-OD2 2.98Å
501	T	88.5	Confident	84.9	Confident	21 Å²	21	61.2 Å²	61.2	13%	0.129	31%	0.313	C	S	.	.			trans	-97.8	175.7	-171.8	62.9	0	0	0	0	113	L499 E517 L533 N534 P535 G536 D537 G538	L499-T501 HydrophobicContact CG-CG2 4.21Å; T501-E517 WeakPolarHBondContact CB-OE1 3.34Å; T501-E517 HydrophobicContact CG2-CG 4.32Å; T501-L533 HydrophobicContact CG2-CD1 3.64Å; T501-N534 PolarHBondContact N-O 3.32Å; T501-P535 WeakPolarHBondContact OG1-CA 3.27Å; T501-G536 CarbonylContact O-C 3.49Å; T501-G536 WeakPolarHBondContact O-CA 3.41Å; T501-G536 PolarHBondContact O-N 3.24Å; T501-G536 PolarHBondContact OG1-N 3.4Å; T501-D537 PolarHBondContact O-N 3.3Å; T501-G538 WeakPolarHBondContact O-CA 3.47Å; T501-G538 PolarHBondContact O-N 3.25Å
502	R	87.6	Confident	84.3	Confident	77 Å²	77	64.7 Å²	64.7	29%	0.291	33%	0.331	S	S	.	.			trans	-46.3	121.1	-172.7	-171.3	170	69	-155	-7.4	113.9	F506 P510 W513 N514 E517	R502-F506 HydrophobicContact CG-CB 3.85Å; R502-F506 HydrophobicContact CG-CD1 3.5Å; R502-F506 HydrophobicContact CG-CD2 4.11Å; R502-F506 HydrophobicContact CG-CE1 4.04Å; R502-F506 HydrophobicContact CG-CG 3.54Å; R502-P510 PolarHBondContact NH1-O 3.14Å; R502-W513 VanDerWaalsContact CA-CZ3 3.42Å; R502-W513 HydrophobicContact CB-CD2 4.11Å; R502-W513 HydrophobicContact CB-CE3 3.5Å; R502-W513 HydrophobicContact CB-CH2 4.42Å; R502-W513 HydrophobicContact CB-CZ3 3.69Å; R502-W513 HydrophobicContact CG-CD2 3.86Å; R502-W513 HydrophobicContact CG-CE3 3.77Å; R502-W513 HydrophobicContact CG-CG 4.36Å; R502-W513 HydrophobicContact CG-CH2 4.33Å; R502-W513 HydrophobicContact CG-CZ2 4.47Å; R502-W513 HydrophobicContact CG-CZ3 4.02Å; R502-N514 PolarHBondContact NH1-OD1 3Å; R502-E517 VanDerWaalsContact CB-OE1 3.24Å; R502-E517 WeakPolarHBondContact CB-OE1 3.38Å; R502-E517 PolarHBondContact N-OE1 3.15Å
503	P	84.8	Confident	84.2	Confident	22 Å²	22	63.4 Å²	63.4	14%	0.143	32%	0.316	C	S	.	.			trans	-72.1	167.5	173.2	31	-35.8	0	0	0	111.9	K505 F506 G536	P503-K505 WeakPolarHBondContact CG-O 3.48Å; P503-K505 PolarHBondContact O-N 2.92Å; P503-F506 HydrophobicContact CG-CB 4.27Å; P503-F506 WeakPolarHBondContact O-CD1 3.47Å; P503-G536 WeakPolarHBondContact CB-O 3.38Å
504	E	81.5	Confident	84.2	Confident	196 Å²	196	66.8 Å²	66.8	92%	0.916	34%	0.335	S	S	*	.	S	Bend	trans	-58.3	-36.1	175.1	-68.2	-174.3	169.9	0	0	112.7
505	K	76.9	Confident	84.2	Confident	184 Å²	184	67.7 Å²	67.7	80%	0.8	33%	0.331	S	S	*	.	S	Bend	trans	-106.6	99.2	176	-65.3	-179	-177.6	176.6	0	109.7	P503	P503-K505 WeakPolarHBondContact CG-O 3.48Å; P503-K505 PolarHBondContact O-N 2.92Å
506	F	77.3	Confident	84.1	Confident	63 Å²	63	65.4 Å²	65.4	28%	0.276	32%	0.321	S	S	.	.			trans	-128.2	161.6	179.1	69.1	-84.9	0	0	0	111.7	R502 P503 G508 P510 W513	R502-F506 HydrophobicContact CG-CB 3.85Å; R502-F506 HydrophobicContact CG-CD1 3.5Å; R502-F506 HydrophobicContact CG-CD2 4.11Å; R502-F506 HydrophobicContact CG-CE1 4.04Å; R502-F506 HydrophobicContact CG-CG 3.54Å; P503-F506 HydrophobicContact CG-CB 4.27Å; P503-F506 WeakPolarHBondContact O-CD1 3.47Å; F506-G508 WeakPolarHBondContact CE2-O 3.44Å; F506-P510 HydrophobicContact CE2-CG 4.36Å; F506-P510 HydrophobicContact CZ-CG 4.18Å; F506-W513 HydrophobicContact CB-CH2 4.47Å; F506-W513 HydrophobicContact CB-CZ2 3.79Å; F506-W513 AromaticContact CD2-CD1 3.74Å; F506-W513 AromaticContact CD2-CE2 3.97Å; F506-W513 HydrophobicContact CD2-CG 4.41Å; F506-W513 AromaticContact CD2-NE1 3.45Å
507	L	73	Confident	84.1	Confident	61 Å²	61	63.5 Å²	63.5	32%	0.319	31%	0.313	S	S	.	.			trans	-110.6	148.3	173.6	-62.8	178	0	0	0	111.2	W513 F540 Q567	L507-W513 PolarHBondContact O-NE1 3.19Å; L507-F540 HydrophobicContact CD1-CD2 3.76Å; L507-F540 HydrophobicContact CD1-CE2 3.97Å; L507-F540 HydrophobicContact CG-CD2 4.24Å; L507-F540 PolarHBondContact N-O 2.74Å; L507-Q567 VanDerWaalsContact C-NE2 3.32Å; L507-Q567 HydrophobicContact CB-CG 3.8Å; L507-Q567 HydrophobicContact CD1-CG 4.23Å; L507-Q567 PolarHBondContact O-NE2 3.44Å
508	G	73.1	Confident	84	Confident	39 Å²	39	68.2 Å²	68.2	40%	0.402	33%	0.334	S	S	.	.	S	Bend	trans	94.5	176.1	177.8	0	0	0	0	0	113.9	F506	F506-G508 WeakPolarHBondContact CE2-O 3.44Å
509	E	80.1	Confident	83.8	Confident	126 Å²	126	69 Å²	69	59%	0.589	34%	0.337	S	S	*	.			trans	-74.9	136.2	-174.3	-64.7	-57.8	144.4	0	0	112.1	E511 I512 W513	E509-E511 PolarHBondContact O-N 3.45Å; E509-E511 VanDerWaalsContact O-N 3.12Å; E509-I512 HydrophobicContact CB-CD1 4.14Å; E509-I512 HydrophobicContact CB-CG1 4.23Å; E509-I512 PolarHBondContact O-N 3.19Å; E509-I512 VanDerWaalsContact O-N 3.12Å; E509-W513 PolarHBondContact O-N 3.47Å
510	P	85.4	Confident	83.6	Confident	56 Å²	56	68.8 Å²	68.8	36%	0.364	34%	0.336	S	S	.	.	H	α-helix	trans	-54.8	-31.6	178.4	-27.6	34.7	0	0	0	114.4	R502 F506 W513 N514	R502-P510 PolarHBondContact NH1-O 3.14Å; F506-P510 HydrophobicContact CE2-CG 4.36Å; F506-P510 HydrophobicContact CZ-CG 4.18Å; P510-W513 WeakPolarHBondContact O-CB 3.45Å; P510-W513 PolarHBondContact O-N 2.78Å; P510-N514 PolarHBondContact O-N 3.38Å; P510-N514 PolarHBondContact O-ND2 2.95Å; P510-N514 PolarHBondContact O-OD1 2.81Å
511	E	85.6	Confident	83.5	Confident	158 Å²	158	71.5 Å²	71.5	74%	0.738	35%	0.349	S	S	*	.	H	α-helix	trans	-67.6	-39.4	-179.9	-63.8	178.3	174.3	0	0	112.4	E509 W513 N514 K515	E509-E511 PolarHBondContact O-N 3.45Å; E509-E511 VanDerWaalsContact O-N 3.12Å; E511-W513 VanDerWaalsContact C-N 3.32Å; E511-N514 PolarHBondContact O-N 2.93Å; E511-K515 PolarHBondContact O-N 3.29Å; E511-K515 VanDerWaalsContact O-N 3.07Å
512	I	80.3	Confident	83.6	Confident	75 Å²	75	73.5 Å²	73.5	39%	0.385	36%	0.358	S	S	.	.	H	α-helix	trans	-64.8	-42.7	176.5	-63	174.6	0	0	0	109.4	E509 K515 A516 F566	E509-I512 HydrophobicContact CB-CD1 4.14Å; E509-I512 HydrophobicContact CB-CG1 4.23Å; E509-I512 PolarHBondContact O-N 3.19Å; E509-I512 VanDerWaalsContact O-N 3.12Å; I512-K515 PolarHBondContact O-N 2.95Å; I512-A516 WeakPolarHBondContact O-CB 3.32Å; I512-A516 PolarHBondContact O-N 3.03Å; I512-F566 HydrophobicContact CG2-CD1 3.69Å; I512-F566 HydrophobicContact CG2-CD2 4.2Å; I512-F566 HydrophobicContact CG2-CE1 3.8Å; I512-F566 HydrophobicContact CG2-CE2 4.31Å; I512-F566 HydrophobicContact CG2-CG 3.9Å; I512-F566 HydrophobicContact CG2-CZ 4.12Å
513	W	85.2	Confident	83.7	Confident	4 Å²	4	69.9 Å²	69.9	2%	0.015	35%	0.345	C	S	.	.	H	α-helix	trans	-59	-50.6	174.9	-86	89.9	0	0	0	112.5	R502 F506 L507 E509 P510 E511 K515 A516 E517 A539 G542 P543	R502-W513 VanDerWaalsContact CA-CZ3 3.42Å; R502-W513 HydrophobicContact CB-CD2 4.11Å; R502-W513 HydrophobicContact CB-CE3 3.5Å; R502-W513 HydrophobicContact CB-CH2 4.42Å; R502-W513 HydrophobicContact CB-CZ3 3.69Å; R502-W513 HydrophobicContact CG-CD2 3.86Å; R502-W513 HydrophobicContact CG-CE3 3.77Å; R502-W513 HydrophobicContact CG-CG 4.36Å; R502-W513 HydrophobicContact CG-CH2 4.33Å; R502-W513 HydrophobicContact CG-CZ2 4.47Å; R502-W513 HydrophobicContact CG-CZ3 4.02Å; F506-W513 HydrophobicContact CB-CH2 4.47Å; F506-W513 HydrophobicContact CB-CZ2 3.79Å; F506-W513 AromaticContact CD2-CD1 3.74Å; F506-W513 AromaticContact CD2-CE2 3.97Å; F506-W513 HydrophobicContact CD2-CG 4.41Å; F506-W513 AromaticContact CD2-NE1 3.45Å; L507-W513 PolarHBondContact O-NE1 3.19Å; E509-W513 PolarHBondContact O-N 3.47Å; P510-W513 WeakPolarHBondContact O-CB 3.45Å; P510-W513 PolarHBondContact O-N 2.78Å; E511-W513 VanDerWaalsContact C-N 3.32Å; W513-K515 PolarHBondContact O-N 2.92Å; W513-A516 PolarHBondContact O-N 3.05Å; W513-A516 VanDerWaalsContact O-N 3.17Å; W513-E517 WeakPolarHBondContact O-CB 3.4Å; W513-E517 WeakPolarHBondContact O-CG 3.23Å; W513-E517 PolarHBondContact O-N 3.2Å; W513-A539 VanDerWaalsContact CH2-O 3.26Å; W513-A539 WeakPolarHBondContact CH2-O 3.26Å; W513-G542 VanDerWaalsContact CZ2-CA 3.46Å; W513-G542 VanDerWaalsContact CZ2-N 3.35Å; W513-G542 VanDerWaalsContact CZ3-C 3.42Å; W513-P543 HydrophobicContact CE3-CB 4.44Å; W513-P543 HydrophobicContact CE3-CG 4.39Å; W513-P543 HydrophobicContact CZ3-CB 4.05Å; W513-P543 HydrophobicContact CZ3-CG 4.33Å; W513-P543 VanDerWaalsContact CZ3-N 3.31Å
514	N	86.3	Confident	83.9	Confident	84 Å²	84	68.8 Å²	68.8	45%	0.449	34%	0.338	S	S	.	.	H	α-helix	trans	-58.1	-40.2	179	-64.8	-13.9	0	0	0	111.3	R502 P510 E511 K518	R502-N514 PolarHBondContact NH1-OD1 3Å; P510-N514 PolarHBondContact O-N 3.38Å; P510-N514 PolarHBondContact O-ND2 2.95Å; P510-N514 PolarHBondContact O-OD1 2.81Å; E511-N514 PolarHBondContact O-N 2.93Å; N514-K518 WeakPolarHBondContact O-CB 3.3Å; N514-K518 PolarHBondContact O-N 2.78Å; N514-K518 VanDerWaalsContact O-N 3.12Å
515	K	83.9	Confident	84.4	Confident	116 Å²	116	63.4 Å²	63.4	50%	0.504	32%	0.315	S	S	.	.	H	α-helix	trans	-67.3	-45.2	177.1	-171.6	177.1	179.6	-178.9	0	111.9	E511 I512 W513 K518 Q519	E511-K515 PolarHBondContact O-N 3.29Å; E511-K515 VanDerWaalsContact O-N 3.07Å; I512-K515 PolarHBondContact O-N 2.95Å; W513-K515 PolarHBondContact O-N 2.92Å; K515-K518 PolarHBondContact O-N 2.79Å; K515-Q519 WeakPolarHBondContact O-CG 3.3Å; K515-Q519 PolarHBondContact O-N 2.91Å
516	A	84	Confident	85	Confident	1 Å²	1	60.8 Å²	60.8	1%	0.008	31%	0.306	C	S	.	.	H	α-helix	trans	-63.3	-46.1	179.4	0	0	0	0	0	111.9	I512 W513 K518 Q519 L520 P543 L564 F566	I512-A516 WeakPolarHBondContact O-CB 3.32Å; I512-A516 PolarHBondContact O-N 3.03Å; W513-A516 PolarHBondContact O-N 3.05Å; W513-A516 VanDerWaalsContact O-N 3.17Å; A516-K518 VanDerWaalsContact C-N 3.31Å; A516-K518 PolarHBondContact O-N 2.88Å; A516-Q519 PolarHBondContact O-N 3.43Å; A516-L520 WeakPolarHBondContact O-CG 3.21Å; A516-L520 PolarHBondContact O-N 3.48Å; A516-P543 HydrophobicContact CB-CG 3.8Å; A516-L564 HydrophobicContact CB-CD1 3.93Å; A516-F566 HydrophobicContact CB-CE2 3.63Å; A516-F566 HydrophobicContact CB-CZ 3.59Å
517	E	88.3	Confident	85.6	Confident	36 Å²	36	59.1 Å²	59.1	17%	0.168	30%	0.298	C	S	.	.	H	α-helix	trans	-59.3	-43.2	175.7	-72.6	177.3	174.5	0	0	111.3	T501 R502 W513 L520 E521 P543	T501-E517 WeakPolarHBondContact CB-OE1 3.34Å; T501-E517 HydrophobicContact CG2-CG 4.32Å; R502-E517 VanDerWaalsContact CB-OE1 3.24Å; R502-E517 WeakPolarHBondContact CB-OE1 3.38Å; R502-E517 PolarHBondContact N-OE1 3.15Å; W513-E517 WeakPolarHBondContact O-CB 3.4Å; W513-E517 WeakPolarHBondContact O-CG 3.23Å; W513-E517 PolarHBondContact O-N 3.2Å; E517-L520 PolarHBondContact O-N 3.47Å; E517-E521 WeakPolarHBondContact O-CB 3.39Å; E517-E521 PolarHBondContact O-N 2.84Å; E517-P543 HydrophobicContact CG-CB 3.93Å; E517-P543 HydrophobicContact CG-CG 4.11Å
518	K	88.5	Confident	86.2	Confident	100 Å²	100	59.2 Å²	59.2	44%	0.435	32%	0.315	S	S	.	.	H	α-helix	trans	-65.3	-39.9	177.3	-167.2	71.7	-158.2	162.8	0	112.6	N514 K515 A516 E521 N522	N514-K518 WeakPolarHBondContact O-CB 3.3Å; N514-K518 PolarHBondContact O-N 2.78Å; N514-K518 VanDerWaalsContact O-N 3.12Å; K515-K518 PolarHBondContact O-N 2.79Å; A516-K518 VanDerWaalsContact C-N 3.31Å; A516-K518 PolarHBondContact O-N 2.88Å; K518-E521 WeakPolarHBondContact CD-OE2 3.02Å; K518-E521 IonicContact NZ-OE1 2.69Å; K518-E521 IonicContact NZ-OE2 2.61Å; K518-E521 PolarHBondContact NZ-OE2 2.92Å; K518-E521 PolarHBondContact O-N 3.28Å; K518-N522 WeakPolarHBondContact CE-OD1 3.43Å; K518-N522 WeakPolarHBondContact O-CB 3.26Å; K518-N522 PolarHBondContact O-N 2.89Å; K518-N522 PolarHBondContact O-ND2 3.23Å; K518-N522 PolarHBondContact O-OD1 3.01Å
519	Q	85.5	Confident	86.8	Confident	25 Å²	25	61.8 Å²	61.8	12%	0.117	32%	0.316	C	S	.	.	H	α-helix	trans	-64.9	-40.9	176.4	-75.9	178.3	-41.6	0	0	112	I470 K515 A516 S523	I470-Q519 PolarHBondContact O-NE2 2.88Å; K515-Q519 WeakPolarHBondContact O-CG 3.3Å; K515-Q519 PolarHBondContact O-N 2.91Å; A516-Q519 PolarHBondContact O-N 3.43Å; Q519-S523 WeakPolarHBondContact O-CB 3.47Å; Q519-S523 PolarHBondContact O-N 2.84Å; Q519-S523 PolarHBondContact O-OG 3.23Å
520	L	87.9	Confident	87.2	Confident	0 Å²	0	65 Å²	65	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-65.6	-43.6	174.3	-67.4	-178.1	0	0	0	111.8	I477 L499 A516 E517 N522 S523 L524 P543 I545 L564	I477-L520 HydrophobicContact CD1-CD2 3.68Å; I477-L520 HydrophobicContact CG1-CD2 3.85Å; I477-L520 HydrophobicContact CG2-CD2 4.15Å; L499-L520 HydrophobicContact CD1-CB 3.71Å; L499-L520 HydrophobicContact CD1-CD1 3.99Å; A516-L520 WeakPolarHBondContact O-CG 3.21Å; A516-L520 PolarHBondContact O-N 3.48Å; E517-L520 PolarHBondContact O-N 3.47Å; L520-N522 PolarHBondContact O-N 3.45Å; L520-S523 PolarHBondContact O-N 3.09Å; L520-L524 WeakPolarHBondContact O-CG 3.15Å; L520-L524 PolarHBondContact O-N 2.94Å; L520-P543 HydrophobicContact CD1-CB 3.73Å; L520-P543 HydrophobicContact CD1-CG 3.66Å; L520-I545 HydrophobicContact CD1-CG1 4.45Å; L520-I545 HydrophobicContact CD2-CD1 3.95Å; L520-I545 HydrophobicContact CD2-CG1 4.21Å; L520-L564 HydrophobicContact CD1-CD1 4.08Å; L520-L564 HydrophobicContact CD1-CG 4.5Å; L520-L564 HydrophobicContact CD2-CD1 3.94Å; L520-L564 HydrophobicContact CD2-CG 4.27Å; L520-L564 HydrophobicContact CG-CD1 3.91Å
521	E	90.5	Very high	87.6	Confident	58 Å²	58	65.2 Å²	65.2	27%	0.271	32%	0.322	S	S	.	.	H	α-helix	trans	-58.9	-47.1	176	-168.8	-166.3	176.9	0	0	111.5	L499 E517 K518 S523 L524 N525 W531	L499-E521 HydrophobicContact CD2-CB 4.01Å; L499-E521 HydrophobicContact CD2-CG 4.4Å; E517-E521 WeakPolarHBondContact O-CB 3.39Å; E517-E521 PolarHBondContact O-N 2.84Å; K518-E521 WeakPolarHBondContact CD-OE2 3.02Å; K518-E521 IonicContact NZ-OE1 2.69Å; K518-E521 IonicContact NZ-OE2 2.61Å; K518-E521 PolarHBondContact NZ-OE2 2.92Å; K518-E521 PolarHBondContact O-N 3.28Å; E521-S523 PolarHBondContact O-N 3.38Å; E521-L524 PolarHBondContact O-N 2.7Å; E521-N525 WeakPolarHBondContact O-CB 3.31Å; E521-N525 PolarHBondContact O-N 3.04Å; E521-N525 PolarHBondContact O-ND2 2.92Å; E521-W531 HydrophobicContact CG-CH2 3.84Å; E521-W531 HydrophobicContact CG-CZ2 3.68Å
522	N	90.1	Very high	87.8	Confident	62 Å²	62	61 Å²	61	33%	0.332	31%	0.306	S	S	.	.	H	α-helix	trans	-61.1	-44.6	177.1	-70.2	-9.7	0	0	0	111.6	K518 L520 L524 N525 E526	K518-N522 WeakPolarHBondContact CE-OD1 3.43Å; K518-N522 WeakPolarHBondContact O-CB 3.26Å; K518-N522 PolarHBondContact O-N 2.89Å; K518-N522 PolarHBondContact O-ND2 3.23Å; K518-N522 PolarHBondContact O-OD1 3.01Å; L520-N522 PolarHBondContact O-N 3.45Å; N522-L524 VanDerWaalsContact C-N 3.32Å; N522-L524 PolarHBondContact O-N 2.74Å; N522-N525 PolarHBondContact O-N 2.95Å; N522-E526 PolarHBondContact O-N 2.78Å
523	S	89.2	Confident	88.3	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.007	31%	0.311	C	S	.	.	H	α-helix	trans	-61.4	-40.4	178.2	-57.5	0	0	0	0	112	Q519 L520 E521 F527	Q519-S523 WeakPolarHBondContact O-CB 3.47Å; Q519-S523 PolarHBondContact O-N 2.84Å; Q519-S523 PolarHBondContact O-OG 3.23Å; L520-S523 PolarHBondContact O-N 3.09Å; E521-S523 PolarHBondContact O-N 3.38Å; S523-F527 WeakPolarHBondContact O-CB 3.46Å; S523-F527 PolarHBondContact O-N 3.38Å
524	L	89.9	Confident	88.5	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-67.4	-42.8	176.1	-74.6	170.4	0	0	0	112.3	L497 L499 L520 E521 N522 E526 F527 G528 W531 I545	L497-L524 HydrophobicContact CB-CD2 4.25Å; L497-L524 HydrophobicContact CD1-CD2 3.81Å; L497-L524 HydrophobicContact CG-CD2 4.49Å; L499-L524 HydrophobicContact CB-CD1 3.83Å; L499-L524 HydrophobicContact CD1-CD1 4.19Å; L499-L524 HydrophobicContact CD2-CD1 4.35Å; L499-L524 HydrophobicContact CG-CD1 4.34Å; L520-L524 WeakPolarHBondContact O-CG 3.15Å; L520-L524 PolarHBondContact O-N 2.94Å; E521-L524 PolarHBondContact O-N 2.7Å; N522-L524 VanDerWaalsContact C-N 3.32Å; N522-L524 PolarHBondContact O-N 2.74Å; L524-E526 VanDerWaalsContact C-N 3.33Å; L524-E526 PolarHBondContact O-N 3.44Å; L524-F527 PolarHBondContact O-N 3.44Å; L524-G528 PolarHBondContact O-N 2.91Å; L524-W531 HydrophobicContact CB-CD2 4.42Å; L524-W531 HydrophobicContact CB-CG 4.08Å; L524-W531 HydrophobicContact CD1-CB 4.41Å; L524-W531 HydrophobicContact CD1-CD2 4.09Å; L524-W531 HydrophobicContact CD1-CE3 4.34Å; L524-W531 HydrophobicContact CD1-CG 4.12Å; L524-I545 HydrophobicContact CD1-CD1 4.33Å; L524-I545 HydrophobicContact CD1-CG1 4.26Å; L524-I545 HydrophobicContact CD2-CD1 3.94Å; L524-I545 HydrophobicContact CD2-CG1 4.4Å; L524-I545 HydrophobicContact CD2-CG2 4.02Å; L524-I545 HydrophobicContact CG-CD1 3.97Å; L524-I545 HydrophobicContact CG-CG1 4.43Å
525	N	90.6	Very high	88.5	Confident	83 Å²	83	64.8 Å²	64.8	44%	0.444	33%	0.333	S	S	.	.	H	α-helix	trans	-62.6	-40.8	178.1	-72.1	-26.6	0	0	0	111.9	E521 N522 G528 W531	E521-N525 WeakPolarHBondContact O-CB 3.31Å; E521-N525 PolarHBondContact O-N 3.04Å; E521-N525 PolarHBondContact O-ND2 2.92Å; N522-N525 PolarHBondContact O-N 2.95Å; N525-G528 PolarHBondContact O-N 3.21Å; N525-W531 PolarHBondContact OD1-NE1 2.91Å
526	E	89.6	Confident	88.6	Confident	129 Å²	129	61 Å²	61	60%	0.603	33%	0.327	S	S	*	.	H	α-helix	trans	-73.8	-31.6	178.1	-168.6	174.5	146.9	0	0	112.9	K478 N522 L524 G528	K478-E526 VanDerWaalsContact CE-CD 3.4Å; K478-E526 WeakPolarHBondContact CE-OE1 3.34Å; K478-E526 WeakPolarHBondContact CE-OE2 3.37Å; K478-E526 IonicContact NZ-OE1 2.78Å; K478-E526 PolarHBondContact NZ-OE1 2.86Å; K478-E526 IonicContact NZ-OE2 2.72Å; K478-E526 PolarHBondContact NZ-OE2 3.07Å; N522-E526 PolarHBondContact O-N 2.78Å; L524-E526 VanDerWaalsContact C-N 3.33Å; L524-E526 PolarHBondContact O-N 3.44Å; E526-G528 PolarHBondContact O-N 3.12Å; E526-G528 VanDerWaalsContact O-N 3.16Å
527	F	89.8	Confident	88.6	Confident	27 Å²	27	64.6 Å²	64.6	12%	0.118	35%	0.346	C	S	.	.	H	α-helix	trans	-59.4	-25.2	174.2	-175.6	-115.8	0	0	0	112.6	L481 R485 F495 L497 S523 L524 E529	L481-F527 HydrophobicContact CB-CD2 3.7Å; L481-F527 HydrophobicContact CB-CE2 3.72Å; L481-F527 HydrophobicContact CB-CG 4.22Å; L481-F527 HydrophobicContact CB-CZ 4.28Å; L481-F527 HydrophobicContact CD1-CB 4.04Å; L481-F527 HydrophobicContact CD1-CD2 4.34Å; L481-F527 HydrophobicContact CD1-CG 4.12Å; L481-F527 WeakPolarHBondContact O-CE2 3.47Å; R485-F527 HydrophobicContact CB-CE2 4.33Å; R485-F527 HydrophobicContact CB-CZ 4.14Å; R485-F527 VanDerWaalsContact NH2-CD2 3.29Å; R485-F527 VanDerWaalsContact NH2-CZ 3.32Å; R485-F527 PolarHBondContact NH2-O 3.28Å; F495-F527 HydrophobicContact CE2-CE1 4.05Å; F495-F527 HydrophobicContact CZ-CE1 4.12Å; F495-F527 HydrophobicContact CZ-CZ 4.24Å; L497-F527 HydrophobicContact CD1-CD1 3.83Å; L497-F527 HydrophobicContact CD1-CE1 3.94Å; S523-F527 WeakPolarHBondContact O-CB 3.46Å; S523-F527 PolarHBondContact O-N 3.38Å; L524-F527 PolarHBondContact O-N 3.44Å; F527-E529 VanDerWaalsContact C-N 3.34Å; F527-E529 HydrophobicContact CD1-CB 3.76Å; F527-E529 HydrophobicContact CD1-CG 3.67Å; F527-E529 HydrophobicContact CE1-CB 3.89Å; F527-E529 HydrophobicContact CE1-CG 3.41Å; F527-E529 VanDerWaalsContact CE1-CG 3.41Å; F527-E529 HydrophobicContact CZ-CG 4.32Å; F527-E529 PolarHBondContact O-N 3.3Å
528	G	85.6	Confident	88.3	Confident	64 Å²	64	63.4 Å²	63.4	66%	0.66	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	84	1.8	168.7	0	0	0	0	0	115.3	L524 N525 E526	L524-G528 PolarHBondContact O-N 2.91Å; N525-G528 PolarHBondContact O-N 3.21Å; E526-G528 PolarHBondContact O-N 3.12Å; E526-G528 VanDerWaalsContact O-N 3.16Å
529	E	86.5	Confident	87.9	Confident	92 Å²	92	59.4 Å²	59.4	43%	0.43	33%	0.328	S	S	.	.	S	Bend	trans	-92.6	152	176	-68.5	-65.3	170.9	0	0	112.1	L497 F527 W531	L497-E529 HydrophobicContact CD1-CB 3.93Å; F527-E529 VanDerWaalsContact C-N 3.34Å; F527-E529 HydrophobicContact CD1-CB 3.76Å; F527-E529 HydrophobicContact CD1-CG 3.67Å; F527-E529 HydrophobicContact CE1-CB 3.89Å; F527-E529 HydrophobicContact CE1-CG 3.41Å; F527-E529 VanDerWaalsContact CE1-CG 3.41Å; F527-E529 HydrophobicContact CZ-CG 4.32Å; F527-E529 PolarHBondContact O-N 3.3Å; E529-W531 PolarHBondContact O-N 3.05Å
530	K	89.3	Confident	87.5	Confident	194 Å²	194	60.8 Å²	60.8	84%	0.843	33%	0.334	S	S	*	.			trans	-68.1	128.8	176.7	-68.2	-177	-179.7	179.5	0	110.6
531	W	92.5	Very high	86.9	Confident	61 Å²	61	62.3 Å²	62.3	23%	0.231	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	158	175.4	64.6	-90.7	0	0	0	111.3	L497 L499 E521 L524 N525 E529 L533	L497-W531 HydrophobicContact CB-CB 3.74Å; L497-W531 CarbonylContact O-C 3.6Å; L497-W531 VanDerWaalsContact O-CA 3.23Å; L497-W531 WeakPolarHBondContact O-CA 3.26Å; L499-W531 HydrophobicContact CB-CE3 3.8Å; L499-W531 HydrophobicContact CB-CZ3 3.81Å; L499-W531 HydrophobicContact CD2-CH2 4.12Å; L499-W531 HydrophobicContact CD2-CZ3 3.89Å; L499-W531 HydrophobicContact CG-CZ3 4.49Å; E521-W531 HydrophobicContact CG-CH2 3.84Å; E521-W531 HydrophobicContact CG-CZ2 3.68Å; L524-W531 HydrophobicContact CB-CD2 4.42Å; L524-W531 HydrophobicContact CB-CG 4.08Å; L524-W531 HydrophobicContact CD1-CB 4.41Å; L524-W531 HydrophobicContact CD1-CD2 4.09Å; L524-W531 HydrophobicContact CD1-CE3 4.34Å; L524-W531 HydrophobicContact CD1-CG 4.12Å; N525-W531 PolarHBondContact OD1-NE1 2.91Å; E529-W531 PolarHBondContact O-N 3.05Å; W531-L533 HydrophobicContact CZ3-CB 4.06Å; W531-L533 HydrophobicContact CZ3-CD1 4.09Å
532	V	91.4	Very high	86.6	Confident	68 Å²	68	59.6 Å²	59.6	41%	0.412	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	137.9	179.4	179.8	0	0	0	0	109.5	K496 L497 N498 L499	K496-V532 VanDerWaalsContact CE-CG2 3.45Å; L497-V532 PolarHBondContact O-N 3.12Å; N498-V532 CarbonylContact C-O 3.54Å; N498-V532 VanDerWaalsContact CA-O 3.22Å; N498-V532 WeakPolarHBondContact CA-O 3.38Å; L499-V532 PolarHBondContact N-O 3.32Å
533	L	90.1	Very high	86.5	Confident	91 Å²	91	56.6 Å²	56.6	48%	0.476	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	132.9	173	-169.2	69.3	0	0	0	109.6	L499 T501 W531 P535	L499-L533 HydrophobicContact CB-CD1 4.29Å; L499-L533 HydrophobicContact CD2-CD1 4.08Å; L499-L533 HydrophobicContact CG-CD1 4.2Å; T501-L533 HydrophobicContact CG2-CD1 3.64Å; W531-L533 HydrophobicContact CZ3-CB 4.06Å; W531-L533 HydrophobicContact CZ3-CD1 4.09Å; L533-P535 HydrophobicContact CD2-CG 4.05Å; L533-P535 HydrophobicContact CG-CG 4.08Å; L533-P535 WeakPolarHBondContact O-CD 3.2Å
534	N	88.4	Confident	86.6	Confident	59 Å²	59	57.6 Å²	57.6	32%	0.316	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	80.7	175.1	-167.9	20.2	0	0	0	109.7	N498 L499 S500 T501 G536 D537	N498-N534 HydrophobicContact CB-CB 4.36Å; L499-N534 PolarHBondContact O-N 2.86Å; S500-N534 WeakPolarHBondContact CA-O 3.47Å; T501-N534 PolarHBondContact N-O 3.32Å; N534-G536 PolarHBondContact O-N 3.08Å; N534-D537 HydrophobicContact CB-CB 4.44Å; N534-D537 WeakPolarHBondContact ND2-CB 3.49Å; N534-D537 VanDerWaalsContact ND2-CG 3.34Å; N534-D537 PolarHBondContact ND2-OD2 2.89Å; N534-D537 PolarHBondContact O-N 3.29Å
535	P	88.1	Confident	86.6	Confident	94 Å²	94	57.6 Å²	57.6	61%	0.61	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	128.8	-171.6	-22	32.9	0	0	0	112.6	T501 L533 D537	T501-P535 WeakPolarHBondContact OG1-CA 3.27Å; L533-P535 HydrophobicContact CD2-CG 4.05Å; L533-P535 HydrophobicContact CG-CG 4.08Å; L533-P535 WeakPolarHBondContact O-CD 3.2Å; P535-D537 VanDerWaalsContact C-N 3.34Å; P535-D537 PolarHBondContact O-N 2.82Å
536	G	84.9	Confident	86.5	Confident	37 Å²	37	53.8 Å²	53.8	38%	0.381	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	5.1	172.5	0	0	0	0	0	116	T501 P503 N534	T501-G536 CarbonylContact O-C 3.49Å; T501-G536 WeakPolarHBondContact O-CA 3.41Å; T501-G536 PolarHBondContact O-N 3.24Å; T501-G536 PolarHBondContact OG1-N 3.4Å; P503-G536 WeakPolarHBondContact CB-O 3.38Å; N534-G536 PolarHBondContact O-N 3.08Å
537	D	84.8	Confident	86.4	Confident	76 Å²	76	47.6 Å²	47.6	41%	0.406	27%	0.266	S	S	.	.			trans	-96.6	7.4	179.7	-163.3	56.3	0	0	0	113.5	T501 N534 P535 K544	T501-D537 PolarHBondContact O-N 3.3Å; N534-D537 HydrophobicContact CB-CB 4.44Å; N534-D537 WeakPolarHBondContact ND2-CB 3.49Å; N534-D537 VanDerWaalsContact ND2-CG 3.34Å; N534-D537 PolarHBondContact ND2-OD2 2.89Å; N534-D537 PolarHBondContact O-N 3.29Å; P535-D537 VanDerWaalsContact C-N 3.34Å; P535-D537 PolarHBondContact O-N 2.82Å; D537-K544 WeakPolarHBondContact O-CE 3.2Å; D537-K544 PolarHBondContact O-NZ 3.02Å; D537-K544 IonicContact OD2-NZ 2.74Å; D537-K544 PolarHBondContact OD2-NZ 3.27Å
538	G	81.4	Confident	86.3	Confident	10 Å²	10	48.9 Å²	48.9	10%	0.103	27%	0.273	C	S	.	.	S	Bend	trans	-62.8	158.2	174.8	0	0	0	0	0	112.8	T501	T501-G538 WeakPolarHBondContact O-CA 3.47Å; T501-G538 PolarHBondContact O-N 3.25Å
539	A	80.6	Confident	86.3	Confident	16 Å²	16	45.8 Å²	45.8	13%	0.132	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-68.6	156.2	172.5	0	0	0	0	0	110.1	W513 Y541 G542	W513-A539 VanDerWaalsContact CH2-O 3.26Å; W513-A539 WeakPolarHBondContact CH2-O 3.26Å; A539-Y541 HydrophobicContact CB-CD1 4.25Å; A539-Y541 HydrophobicContact CB-CD2 4.02Å; A539-Y541 HydrophobicContact CB-CE1 3.96Å; A539-Y541 HydrophobicContact CB-CE2 3.69Å; A539-Y541 HydrophobicContact CB-CG 4.31Å; A539-Y541 PolarHBondContact O-N 3.48Å; A539-G542 PolarHBondContact N-O 2.9Å; A539-G542 VanDerWaalsContact N-O 3.13Å; A539-G542 PolarHBondContact O-N 3.3Å; A539-G542 VanDerWaalsContact O-O 3.1Å
540	F	76.1	Confident	86	Confident	55 Å²	55	45.6 Å²	45.6	24%	0.241	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-16.5	-178.6	68	-93.9	0	0	0	114	L507	L507-F540 HydrophobicContact CD1-CD2 3.76Å; L507-F540 HydrophobicContact CD1-CE2 3.97Å; L507-F540 HydrophobicContact CG-CD2 4.24Å; L507-F540 PolarHBondContact N-O 2.74Å
541	Y	76.6	Confident	85.2	Confident	32 Å²	32	36.6 Å²	36.6	13%	0.125	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-5.3	-177.6	49.8	-105.2	0	0	0	115.1	A539 Q563 D565 F566	A539-Y541 HydrophobicContact CB-CD1 4.25Å; A539-Y541 HydrophobicContact CB-CD2 4.02Å; A539-Y541 HydrophobicContact CB-CE1 3.96Å; A539-Y541 HydrophobicContact CB-CE2 3.69Å; A539-Y541 HydrophobicContact CB-CG 4.31Å; A539-Y541 PolarHBondContact O-N 3.48Å; Y541-Q563 PolarHBondContact OH-OE1 3.44Å; Y541-Q563 VanDerWaalsContact OH-OE1 3.1Å; Y541-D565 HydrophobicContact CD2-CB 3.68Å; Y541-D565 HydrophobicContact CE2-CB 4.12Å; Y541-D565 HydrophobicContact CG-CB 4.48Å; Y541-F566 PolarHBondContact O-N 3.48Å
542	G	83.9	Confident	84	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	167.6	167.7	175.4	0	0	0	0	0	114.4	W513 A539 L564	W513-G542 VanDerWaalsContact CZ2-CA 3.46Å; W513-G542 VanDerWaalsContact CZ2-N 3.35Å; W513-G542 VanDerWaalsContact CZ3-C 3.42Å; A539-G542 PolarHBondContact N-O 2.9Å; A539-G542 VanDerWaalsContact N-O 3.13Å; A539-G542 PolarHBondContact O-N 3.3Å; A539-G542 VanDerWaalsContact O-O 3.1Å; G542-L564 VanDerWaalsContact CA-O 3.28Å; G542-L564 WeakPolarHBondContact CA-O 3.38Å
543	P	87.3	Confident	82.9	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.19	C	C	.	.			trans	-74.2	157.1	178	32.9	-35.4	0	0	0	111	S500 W513 A516 E517 L520 L564	S500-P543 WeakPolarHBondContact O-CA 3.27Å; W513-P543 HydrophobicContact CE3-CB 4.44Å; W513-P543 HydrophobicContact CE3-CG 4.39Å; W513-P543 HydrophobicContact CZ3-CB 4.05Å; W513-P543 HydrophobicContact CZ3-CG 4.33Å; W513-P543 VanDerWaalsContact CZ3-N 3.31Å; A516-P543 HydrophobicContact CB-CG 3.8Å; E517-P543 HydrophobicContact CG-CB 3.93Å; E517-P543 HydrophobicContact CG-CG 4.11Å; L520-P543 HydrophobicContact CD1-CB 3.73Å; L520-P543 HydrophobicContact CD1-CG 3.66Å; P543-L564 HydrophobicContact CG-CD1 4.31Å; P543-L564 PolarHBondContact O-N 3.32Å; P543-L564 VanDerWaalsContact O-N 3.1Å
544	K	90.8	Very high	81.8	Confident	22 Å²	22	30.4 Å²	30.4	10%	0.096	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	152.2	-178.7	61.9	-174.1	161.7	101	0	112.8	S500 D537 D546 I562 Q563	S500-K544 PolarHBondContact N-O 3.4Å; S500-K544 PolarHBondContact O-N 2.91Å; D537-K544 WeakPolarHBondContact O-CE 3.2Å; D537-K544 PolarHBondContact O-NZ 3.02Å; D537-K544 IonicContact OD2-NZ 2.74Å; D537-K544 PolarHBondContact OD2-NZ 3.27Å; K544-D546 WeakPolarHBondContact CD-OD1 3.44Å; K544-D546 WeakPolarHBondContact CE-OD2 2.97Å; K544-D546 IonicContact NZ-OD1 3.91Å; K544-D546 PolarHBondContact NZ-OD1 2.78Å; K544-D546 IonicContact NZ-OD2 3.61Å; K544-D546 PolarHBondContact NZ-OD2 3.33Å; K544-I562 CarbonylContact C-O 3.59Å; K544-I562 WeakPolarHBondContact CA-O 3.49Å; K544-Q563 HydrophobicContact CB-CB 3.97Å; K544-Q563 HydrophobicContact CB-CG 3.72Å; K544-Q563 HydrophobicContact CD-CG 4.36Å
545	I	91	Very high	81.1	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	113.6	165	-57.1	172.8	0	0	0	106.8	I477 L481 L497 N498 L520 L524 I547 T561 I562	I477-I545 HydrophobicContact CG2-CD1 3.95Å; L481-I545 HydrophobicContact CD2-CD1 4.48Å; L497-I545 HydrophobicContact CD2-CG2 4.2Å; N498-I545 WeakPolarHBondContact O-CA 3.4Å; L520-I545 HydrophobicContact CD1-CG1 4.45Å; L520-I545 HydrophobicContact CD2-CD1 3.95Å; L520-I545 HydrophobicContact CD2-CG1 4.21Å; L524-I545 HydrophobicContact CD1-CD1 4.33Å; L524-I545 HydrophobicContact CD1-CG1 4.26Å; L524-I545 HydrophobicContact CD2-CD1 3.94Å; L524-I545 HydrophobicContact CD2-CG1 4.4Å; L524-I545 HydrophobicContact CD2-CG2 4.02Å; L524-I545 HydrophobicContact CG-CD1 3.97Å; L524-I545 HydrophobicContact CG-CG1 4.43Å; I545-I547 HydrophobicContact CG2-CD1 4.1Å; I545-I547 HydrophobicContact CG2-CG1 4.24Å; I545-I547 WeakPolarHBondContact O-CD1 3.43Å; I545-T561 WeakPolarHBondContact O-CA 3.5Å; I545-I562 HydrophobicContact CB-CB 4.41Å; I545-I562 PolarHBondContact N-O 3.3Å; I545-I562 PolarHBondContact O-N 3.19Å; I545-I562 VanDerWaalsContact O-N 3.07Å
546	D	87.9	Confident	80.8	Confident	2 Å²	2	33.6 Å²	33.6	1%	0.011	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	126.7	175	-67.6	-51.5	0	0	0	110	N498 S500 K544 Q558	N498-D546 HydrophobicContact CB-CB 4.41Å; N498-D546 PolarHBondContact N-O 3.28Å; N498-D546 PolarHBondContact O-N 3.44Å; S500-D546 WeakPolarHBondContact CB-OD2 3.4Å; S500-D546 PolarHBondContact OG-OD2 2.98Å; K544-D546 WeakPolarHBondContact CD-OD1 3.44Å; K544-D546 WeakPolarHBondContact CE-OD2 2.97Å; K544-D546 IonicContact NZ-OD1 3.91Å; K544-D546 PolarHBondContact NZ-OD1 2.78Å; K544-D546 IonicContact NZ-OD2 3.61Å; K544-D546 PolarHBondContact NZ-OD2 3.33Å; D546-Q558 PolarHBondContact OD1-NE2 2.96Å
547	I	88.4	Confident	80.6	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	116.9	-178.6	-56.2	101.5	0	0	0	109	L484 Y488 F495 L497 I545 C559 A560 I562	L484-I547 HydrophobicContact CD1-CG2 4.25Å; L484-I547 HydrophobicContact CD2-CB 4.41Å; L484-I547 HydrophobicContact CD2-CD1 4.23Å; L484-I547 HydrophobicContact CD2-CG1 3.75Å; L484-I547 HydrophobicContact CD2-CG2 3.95Å; Y488-I547 HydrophobicContact CE2-CG2 3.84Å; F495-I547 HydrophobicContact CB-CG2 3.83Å; F495-I547 HydrophobicContact CD2-CG2 4.13Å; F495-I547 HydrophobicContact CG-CG2 4.21Å; L497-I547 HydrophobicContact CD2-CB 4.39Å; L497-I547 HydrophobicContact CD2-CG1 3.52Å; L497-I547 HydrophobicContact CD2-CG2 4.29Å; I545-I547 HydrophobicContact CG2-CD1 4.1Å; I545-I547 HydrophobicContact CG2-CG1 4.24Å; I545-I547 WeakPolarHBondContact O-CD1 3.43Å; I547-C559 PolarHBondContact O-N 3.12Å; I547-A560 HydrophobicContact CB-CB 3.9Å; I547-A560 HydrophobicContact CD1-CB 3.83Å; I547-A560 HydrophobicContact CG1-CB 4.32Å; I547-A560 HydrophobicContact CG2-CB 4.38Å; I547-A560 PolarHBondContact N-O 3.08Å; I547-I562 HydrophobicContact CD1-CG1 4.38Å
548	Q	87.9	Confident	80.6	Confident	53 Å²	53	33.6 Å²	33.6	25%	0.248	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	119.6	179	-66.3	177.3	-30.3	0	0	109.7	F495 K496 N498 Y556 H557 Q558	F495-Q548 CarbonylContact C-O 3.54Å; F495-Q548 VanDerWaalsContact CA-O 3.24Å; F495-Q548 WeakPolarHBondContact CA-O 3.5Å; K496-Q548 HydrophobicContact CB-CB 4.48Å; K496-Q548 PolarHBondContact N-O 2.93Å; K496-Q548 PolarHBondContact O-N 2.88Å; N498-Q548 VanDerWaalsContact ND2-CD 3.3Å; N498-Q548 PolarHBondContact ND2-OE1 3Å; N498-Q548 VanDerWaalsContact ND2-OE1 3.07Å; Q548-Y556 HydrophobicContact CB-CD1 3.92Å; Q548-H557 CarbonylContact C-O 3.51Å; Q548-H557 WeakPolarHBondContact CA-O 3.44Å; Q548-Q558 HydrophobicContact CG-CB 4.49Å
549	I	84.3	Confident	80.6	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	134.2	174.7	-58.4	175.9	0	0	0	108.7	Y488 F493 Y556 H557 C559 M601	Y488-I549 HydrophobicContact CD2-CD1 4.43Å; Y488-I549 HydrophobicContact CD2-CG1 4.23Å; Y488-I549 HydrophobicContact CE1-CD1 4.19Å; Y488-I549 HydrophobicContact CE2-CD1 3.65Å; Y488-I549 HydrophobicContact CE2-CG1 3.45Å; Y488-I549 VanDerWaalsContact CE2-CG1 3.45Å; Y488-I549 WeakPolarHBondContact OH-CD1 3.49Å; F493-I549 HydrophobicContact CB-CG2 3.92Å; F493-I549 HydrophobicContact CD1-CG2 3.69Å; F493-I549 HydrophobicContact CD2-CD1 4.09Å; F493-I549 HydrophobicContact CD2-CG2 4Å; F493-I549 HydrophobicContact CE1-CG2 4.15Å; F493-I549 HydrophobicContact CE2-CD1 4.35Å; F493-I549 HydrophobicContact CE2-CG2 4.44Å; F493-I549 HydrophobicContact CG-CG2 3.62Å; I549-Y556 CarbonylContact O-C 3.58Å; I549-Y556 VanDerWaalsContact O-CA 3.29Å; I549-Y556 WeakPolarHBondContact O-CA 3.49Å; I549-H557 PolarHBondContact N-O 3.47Å; I549-H557 PolarHBondContact O-N 2.86Å; I549-C559 HydrophobicContact CD1-CB 3.67Å; I549-C559 HydrophobicContact CG1-CB 4.27Å; I549-M601 HydrophobicContact CD1-CE 4.07Å
550	K	79.9	Confident	80.9	Confident	87 Å²	87	32.9 Å²	32.9	38%	0.378	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	118.4	167.6	-167.6	177.1	-175.3	172.6	0	109.6	T494 R555 Y556	T494-K550 PolarHBondContact O-N 3.4Å; T494-K550 VanDerWaalsContact O-N 3.16Å; K550-R555 WeakPolarHBondContact CA-O 3.44Å; K550-Y556 HydrophobicContact CB-CD1 4.2Å; K550-Y556 HydrophobicContact CB-CE1 3.83Å; K550-Y556 HydrophobicContact CD-CE1 4.45Å; K550-Y556 HydrophobicContact CD-CE2 4.47Å; K550-Y556 HydrophobicContact CG-CE1 4.28Å
551	D	72.9	Confident	81.6	Confident	6 Å²	6	31.2 Å²	31.2	3%	0.032	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-76.5	169.4	173.9	73.1	16.7	0	0	0	112.1	I553 G554 R555 H557 I604	D551-I553 PolarHBondContact O-N 3.36Å; D551-I553 WeakPolarHBondContact OD1-CA 3.5Å; D551-I553 WeakPolarHBondContact OD1-CG1 3.48Å; D551-I553 PolarHBondContact OD1-N 2.87Å; D551-G554 PolarHBondContact O-N 3.18Å; D551-G554 PolarHBondContact OD1-N 3.04Å; D551-R555 PolarHBondContact N-O 2.99Å; D551-R555 PolarHBondContact OD1-N 3.36Å; D551-R555 IonicContact OD2-CZ 2.75Å; D551-R555 VanDerWaalsContact OD2-CZ 3.31Å; D551-R555 IonicContact OD2-NE 3.36Å; D551-R555 PolarHBondContact OD2-NE 3.08Å; D551-R555 IonicContact OD2-NH2 3.48Å; D551-R555 PolarHBondContact OD2-NH2 3.12Å; D551-H557 IonicContact OD2-CD2 2.7Å; D551-H557 IonicContact OD2-NE2 3.53Å; D551-H557 PolarHBondContact OD2-NE2 3.26Å; D551-I604 HydrophobicContact CB-CG2 4.45Å
552	A	67.6	Low	82.4	Confident	46 Å²	46	29.7 Å²	29.7	38%	0.38	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-12.5	179.7	0	0	0	0	0	114.5	R322 N608	R322-A552 VanDerWaalsContact NH1-CB 3.34Å; A552-N608 HydrophobicContact CB-CB 4.49Å; A552-N608 WeakPolarHBondContact CB-O 3.35Å; A552-N608 WeakPolarHBondContact CB-OD1 3.46Å; A552-N608 PolarHBondContact N-OD1 3.48Å
553	I	68	Low	82.7	Confident	9 Å²	9	31.3 Å²	31.3	5%	0.046	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	29	175.7	62.8	168	0	0	0	111	F315 A319 R322 D551 R555	F315-I553 WeakPolarHBondContact CE1-O 3.46Å; F315-I553 VanDerWaalsContact CZ-C 3.41Å; F315-I553 HydrophobicContact CZ-CB 4.25Å; F315-I553 WeakPolarHBondContact CZ-O 3.12Å; A319-I553 HydrophobicContact CB-CB 4.37Å; A319-I553 HydrophobicContact CB-CD1 3.67Å; A319-I553 HydrophobicContact CB-CG2 4.33Å; R322-I553 VanDerWaalsContact CD-CG2 3.49Å; D551-I553 PolarHBondContact O-N 3.36Å; D551-I553 WeakPolarHBondContact OD1-CA 3.5Å; D551-I553 WeakPolarHBondContact OD1-CG1 3.48Å; D551-I553 PolarHBondContact OD1-N 2.87Å; I553-R555 VanDerWaalsContact C-N 3.25Å; I553-R555 VanDerWaalsContact CD1-NE 3.34Å; I553-R555 PolarHBondContact O-N 3.2Å; I553-R555 VanDerWaalsContact O-N 3.15Å
554	G	67.2	Low	82.9	Confident	34 Å²	34	31.3 Å²	31.3	35%	0.351	16%	0.156	S	C	.	.	S	Bend	trans	72.7	4	165.3	0	0	0	0	0	116.3	D551	D551-G554 PolarHBondContact O-N 3.18Å; D551-G554 PolarHBondContact OD1-N 3.04Å
555	R	74.1	Confident	83	Confident	101 Å²	101	30.3 Å²	30.3	38%	0.381	15%	0.152	S	C	.	.			trans	-85.5	143.1	179.5	-60.1	174.7	-62.1	175.4	6.5	110.4	K550 D551 I553 E607	K550-R555 WeakPolarHBondContact CA-O 3.44Å; D551-R555 PolarHBondContact N-O 2.99Å; D551-R555 PolarHBondContact OD1-N 3.36Å; D551-R555 IonicContact OD2-CZ 2.75Å; D551-R555 VanDerWaalsContact OD2-CZ 3.31Å; D551-R555 IonicContact OD2-NE 3.36Å; D551-R555 PolarHBondContact OD2-NE 3.08Å; D551-R555 IonicContact OD2-NH2 3.48Å; D551-R555 PolarHBondContact OD2-NH2 3.12Å; I553-R555 VanDerWaalsContact C-N 3.25Å; I553-R555 VanDerWaalsContact CD1-NE 3.34Å; I553-R555 PolarHBondContact O-N 3.2Å; I553-R555 VanDerWaalsContact O-N 3.15Å; R555-E607 IonicContact CZ-OE2 3.02Å; R555-E607 VanDerWaalsContact NH2-CD 3.35Å; R555-E607 IonicContact NH2-OE1 2.82Å; R555-E607 IonicContact NH2-OE2 3.68Å; R555-E607 PolarHBondContact NH2-OE2 3.48Å
556	Y	81.4	Confident	82.9	Confident	119 Å²	119	31.5 Å²	31.5	47%	0.467	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	124.4	173.5	-74.2	-83.1	0	0	0	110.6	K496 Q548 I549 K550	K496-Y556 HydrophobicContact CB-CE1 4.26Å; Q548-Y556 HydrophobicContact CB-CD1 3.92Å; I549-Y556 CarbonylContact O-C 3.58Å; I549-Y556 VanDerWaalsContact O-CA 3.29Å; I549-Y556 WeakPolarHBondContact O-CA 3.49Å; K550-Y556 HydrophobicContact CB-CD1 4.2Å; K550-Y556 HydrophobicContact CB-CE1 3.83Å; K550-Y556 HydrophobicContact CD-CE1 4.45Å; K550-Y556 HydrophobicContact CD-CE2 4.47Å; K550-Y556 HydrophobicContact CG-CE1 4.28Å
557	H	80.9	Confident	82.9	Confident	32 Å²	32	32.5 Å²	32.5	15%	0.148	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	126.2	173.9	-61.2	-90.1	0	0	0	109.5	Q548 I549 D551 C559 I604	Q548-H557 CarbonylContact C-O 3.51Å; Q548-H557 WeakPolarHBondContact CA-O 3.44Å; I549-H557 PolarHBondContact N-O 3.47Å; I549-H557 PolarHBondContact O-N 2.86Å; D551-H557 IonicContact OD2-CD2 2.7Å; D551-H557 IonicContact OD2-NE2 3.53Å; D551-H557 PolarHBondContact OD2-NE2 3.26Å; H557-C559 PolarHBondContact O-N 3.31Å; H557-I604 HydrophobicContact CB-CD1 3.69Å
558	Q	83.8	Confident	83.1	Confident	82 Å²	82	32.6 Å²	32.6	38%	0.383	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	113.3	168.3	-171.3	-178.8	-10.7	0	0	108.9	D546 Q548 R600	D546-Q558 PolarHBondContact OD1-NE2 2.96Å; Q548-Q558 HydrophobicContact CG-CB 4.49Å; Q558-R600 PolarHBondContact O-NH1 3.32Å
559	C	82.1	Confident	83.4	Confident	11 Å²	11	30.1 Å²	30.1	7%	0.074	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	-60.8	-176	-73.5	0	0	0	0	110.8	I547 I549 H557 G596 I604	I547-C559 PolarHBondContact O-N 3.12Å; I549-C559 HydrophobicContact CD1-CB 3.67Å; I549-C559 HydrophobicContact CG1-CB 4.27Å; H557-C559 PolarHBondContact O-N 3.31Å; C559-G596 WeakPolarHBondContact O-CA 3.39Å; C559-I604 WeakPolarHBondContact SG-CD1 3.43Å
560	A	87.8	Confident	83.8	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	151.6	175	0	0	0	0	0	112.3	L484 Y488 I547 A593 I594	L484-A560 HydrophobicContact CD1-CB 3.42Å; L484-A560 VanDerWaalsContact CD1-CB 3.42Å; Y488-A560 WeakPolarHBondContact OH-CB 3.34Å; Y488-A560 PolarHBondContact OH-N 3.14Å; I547-A560 HydrophobicContact CB-CB 3.9Å; I547-A560 HydrophobicContact CD1-CB 3.83Å; I547-A560 HydrophobicContact CG1-CB 4.32Å; I547-A560 HydrophobicContact CG2-CB 4.38Å; I547-A560 PolarHBondContact N-O 3.08Å; A560-A593 WeakPolarHBondContact CA-O 3.36Å; A560-A593 WeakPolarHBondContact CB-O 3.3Å; A560-I594 WeakPolarHBondContact CB-O 3.15Å
561	T	90.1	Very high	84.4	Confident	19 Å²	19	34.7 Å²	34.7	12%	0.117	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	145	174.8	-168	0	0	0	0	109	I545 Q563 R592 A593	I545-T561 WeakPolarHBondContact O-CA 3.5Å; T561-Q563 HydrophobicContact CG2-CG 4.1Å; T561-Q563 VanDerWaalsContact CG2-NE2 3.27Å; T561-Q563 VanDerWaalsContact OG1-CG 3.23Å; T561-Q563 WeakPolarHBondContact OG1-CG 3.14Å; T561-Q563 PolarHBondContact OG1-NE2 2.97Å; T561-R592 VanDerWaalsContact O-CA 3.25Å; T561-R592 WeakPolarHBondContact O-CA 3.4Å; T561-A593 PolarHBondContact N-O 2.82Å; T561-A593 VanDerWaalsContact N-O 3.12Å; T561-A593 PolarHBondContact O-N 2.86Å; T561-A593 VanDerWaalsContact O-N 3.16Å
562	I	92.9	Very high	85.5	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	113.6	171.1	-54.9	166.5	0	0	0	106	I477 C480 L481 K544 I545 I547 I590 H591 R592	I477-I562 HydrophobicContact CD1-CG2 3.32Å; C480-I562 HydrophobicContact CB-CD1 3.59Å; C480-I562 HydrophobicContact CB-CG1 4.12Å; C480-I562 HydrophobicContact CB-CG2 4.43Å; L481-I562 HydrophobicContact CD2-CD1 3.85Å; L481-I562 HydrophobicContact CG-CD1 4.16Å; K544-I562 CarbonylContact C-O 3.59Å; K544-I562 WeakPolarHBondContact CA-O 3.49Å; I545-I562 HydrophobicContact CB-CB 4.41Å; I545-I562 PolarHBondContact N-O 3.3Å; I545-I562 PolarHBondContact O-N 3.19Å; I545-I562 VanDerWaalsContact O-N 3.07Å; I547-I562 HydrophobicContact CD1-CG1 4.38Å; I562-I590 HydrophobicContact CG2-CG2 3.63Å; I562-H591 CarbonylContact C-O 3.57Å; I562-H591 WeakPolarHBondContact CA-O 3.24Å; I562-R592 HydrophobicContact CG1-CB 4.42Å
563	Q	91.3	Very high	86.8	Confident	34 Å²	34	38.3 Å²	38.3	16%	0.159	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	131.6	-170.9	-39.2	-173.1	11.1	0	0	110	Y541 K544 T561 I590 H591	Y541-Q563 PolarHBondContact OH-OE1 3.44Å; Y541-Q563 VanDerWaalsContact OH-OE1 3.1Å; K544-Q563 HydrophobicContact CB-CB 3.97Å; K544-Q563 HydrophobicContact CB-CG 3.72Å; K544-Q563 HydrophobicContact CD-CG 4.36Å; T561-Q563 HydrophobicContact CG2-CG 4.1Å; T561-Q563 VanDerWaalsContact CG2-NE2 3.27Å; T561-Q563 VanDerWaalsContact OG1-CG 3.23Å; T561-Q563 WeakPolarHBondContact OG1-CG 3.14Å; T561-Q563 PolarHBondContact OG1-NE2 2.97Å; Q563-I590 CarbonylContact O-C 3.46Å; Q563-I590 WeakPolarHBondContact O-CA 3.38Å; Q563-H591 HydrophobicContact CB-CB 4.21Å; Q563-H591 PolarHBondContact N-O 3.37Å; Q563-H591 PolarHBondContact O-N 3.29Å
564	L	91.5	Very high	88.2	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	138.4	172.3	-64.7	178.2	0	0	0	109.8	I473 I477 A516 L520 G542 P543 F566 V588 I590	I473-L564 HydrophobicContact CG2-CD1 4.1Å; I473-L564 HydrophobicContact CG2-CD2 3.91Å; I477-L564 HydrophobicContact CD1-CD2 4.15Å; A516-L564 HydrophobicContact CB-CD1 3.93Å; L520-L564 HydrophobicContact CD1-CD1 4.08Å; L520-L564 HydrophobicContact CD1-CG 4.5Å; L520-L564 HydrophobicContact CD2-CD1 3.94Å; L520-L564 HydrophobicContact CD2-CG 4.27Å; L520-L564 HydrophobicContact CG-CD1 3.91Å; G542-L564 VanDerWaalsContact CA-O 3.28Å; G542-L564 WeakPolarHBondContact CA-O 3.38Å; P543-L564 HydrophobicContact CG-CD1 4.31Å; P543-L564 PolarHBondContact O-N 3.32Å; P543-L564 VanDerWaalsContact O-N 3.1Å; L564-F566 HydrophobicContact CB-CE2 3.83Å; L564-F566 HydrophobicContact CB-CZ 4.31Å; L564-F566 HydrophobicContact CD1-CE2 4.36Å; L564-F566 HydrophobicContact CD1-CZ 4.27Å; L564-V588 HydrophobicContact CD2-CG1 4.46Å; L564-I590 HydrophobicContact CD2-CD1 4.21Å; L564-I590 HydrophobicContact CD2-CG1 3.8Å; L564-I590 HydrophobicContact CD2-CG2 4.46Å
565	D	91.9	Very high	89.6	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	116.2	175.2	-172.9	-17.8	0	0	0	110.9	Y541 Q567 L568 I589 H591	Y541-D565 HydrophobicContact CD2-CB 3.68Å; Y541-D565 HydrophobicContact CE2-CB 4.12Å; Y541-D565 HydrophobicContact CG-CB 4.48Å; D565-Q567 WeakPolarHBondContact OD1-CA 3.45Å; D565-Q567 WeakPolarHBondContact OD1-CB 3.43Å; D565-Q567 PolarHBondContact OD1-N 3.04Å; D565-L568 PolarHBondContact OD1-N 3.08Å; D565-L568 WeakPolarHBondContact OD2-CB 3.39Å; D565-L568 WeakPolarHBondContact OD2-CD1 3.39Å; D565-L568 WeakPolarHBondContact OD2-CG 3.48Å; D565-I589 HydrophobicContact CB-CB 4.33Å; D565-I589 PolarHBondContact N-O 2.81Å; D565-I589 PolarHBondContact O-N 3.43Å; D565-I589 VanDerWaalsContact O-N 3.13Å; D565-H591 VanDerWaalsContact CB-CD2 3.47Å; D565-H591 WeakPolarHBondContact CB-CD2 3.4Å; D565-H591 WeakPolarHBondContact CB-NE2 3.44Å; D565-H591 IonicContact OD2-CE1 3.77Å; D565-H591 IonicContact OD2-NE2 2.59Å; D565-H591 PolarHBondContact OD2-NE2 3.45Å
566	F	88.3	Confident	90.6	Very high	25 Å²	25	34.2 Å²	34.2	11%	0.11	16%	0.164	C	C	.	.	S	Bend	trans	-101.4	-8.8	176.3	-58.7	-85.8	0	0	0	112.5	I473 I512 A516 Y541 L564 I570 V588	I473-F566 HydrophobicContact CD1-CE1 4.27Å; I473-F566 HydrophobicContact CD1-CZ 4.32Å; I512-F566 HydrophobicContact CG2-CD1 3.69Å; I512-F566 HydrophobicContact CG2-CD2 4.2Å; I512-F566 HydrophobicContact CG2-CE1 3.8Å; I512-F566 HydrophobicContact CG2-CE2 4.31Å; I512-F566 HydrophobicContact CG2-CG 3.9Å; I512-F566 HydrophobicContact CG2-CZ 4.12Å; A516-F566 HydrophobicContact CB-CE2 3.63Å; A516-F566 HydrophobicContact CB-CZ 3.59Å; Y541-F566 PolarHBondContact O-N 3.48Å; L564-F566 HydrophobicContact CB-CE2 3.83Å; L564-F566 HydrophobicContact CB-CZ 4.31Å; L564-F566 HydrophobicContact CD1-CE2 4.36Å; L564-F566 HydrophobicContact CD1-CZ 4.27Å; F566-I570 VanDerWaalsContact O-CD1 3.3Å; F566-I570 WeakPolarHBondContact O-CD1 3.36Å; F566-I570 WeakPolarHBondContact O-CG1 3.48Å; F566-V588 HydrophobicContact CD1-CG1 4.01Å; F566-V588 HydrophobicContact CD1-CG2 3.78Å; F566-V588 HydrophobicContact CE1-CB 4.34Å; F566-V588 HydrophobicContact CE1-CG1 3.69Å; F566-V588 HydrophobicContact CE1-CG2 3.63Å; F566-V588 HydrophobicContact CZ-CG1 4.09Å
567	Q	88.4	Confident	91.3	Very high	22 Å²	22	31.1 Å²	31.1	10%	0.103	16%	0.157	C	C	.	.	S	Bend	trans	-93	-44.9	-172.5	-69.8	-63.2	-46.4	0	0	113	L507 D565 I570 R571	L507-Q567 VanDerWaalsContact C-NE2 3.32Å; L507-Q567 HydrophobicContact CB-CG 3.8Å; L507-Q567 HydrophobicContact CD1-CG 4.23Å; L507-Q567 PolarHBondContact O-NE2 3.44Å; D565-Q567 WeakPolarHBondContact OD1-CA 3.45Å; D565-Q567 WeakPolarHBondContact OD1-CB 3.43Å; D565-Q567 PolarHBondContact OD1-N 3.04Å; Q567-I570 WeakPolarHBondContact O-CB 3.12Å; Q567-I570 PolarHBondContact O-N 3.3Å; Q567-R571 WeakPolarHBondContact O-CG 3.34Å; Q567-R571 PolarHBondContact O-N 3.39Å
568	L	92.6	Very high	91.8	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.016	15%	0.152	C	C	.	.	H	α-helix	trans	-57.4	-42.8	178.9	-80.1	-178.7	0	0	0	112.7	C414 D565 I570 R571 F572 I589	C414-L568 HydrophobicContact CB-CD1 3.91Å; D565-L568 PolarHBondContact OD1-N 3.08Å; D565-L568 WeakPolarHBondContact OD2-CB 3.39Å; D565-L568 WeakPolarHBondContact OD2-CD1 3.39Å; D565-L568 WeakPolarHBondContact OD2-CG 3.48Å; L568-I570 VanDerWaalsContact C-N 3.26Å; L568-I570 PolarHBondContact O-N 3.21Å; L568-R571 PolarHBondContact O-N 3.35Å; L568-F572 HydrophobicContact CD2-CD2 4.07Å; L568-F572 HydrophobicContact CD2-CE2 3.76Å; L568-F572 WeakPolarHBondContact O-CB 3.39Å; L568-F572 WeakPolarHBondContact O-CD2 3.35Å; L568-F572 PolarHBondContact O-N 3.08Å; L568-I589 HydrophobicContact CB-CD1 3.89Å
569	P	94.3	Very high	92.1	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.006	16%	0.164	C	C	.	.	H	α-helix	trans	-55.7	-38.8	172.6	-29.2	38	0	0	0	113.8	N573 L574 P587 I589	P569-N573 CarbonylContact O-C 3.52Å; P569-N573 WeakPolarHBondContact O-CA 3.46Å; P569-N573 PolarHBondContact O-N 3.29Å; P569-N573 VanDerWaalsContact O-N 3.14Å; P569-L574 HydrophobicContact CB-CB 4.35Å; P569-L574 PolarHBondContact O-N 2.99Å; P569-P587 HydrophobicContact CB-CG 4.37Å; P569-P587 VanDerWaalsContact CB-O 3.25Å; P569-P587 WeakPolarHBondContact CB-O 3.36Å; P569-P587 WeakPolarHBondContact CG-O 3.25Å; P569-I589 HydrophobicContact CG-CD1 3.85Å; P569-I589 HydrophobicContact CG-CG1 3.77Å
570	I	92.6	Very high	92.4	Very high	91 Å²	91	36.1 Å²	36.1	47%	0.467	19%	0.188	S	C	.	.	H	α-helix	trans	-71.3	-47.5	178.4	-61.6	170.6	0	0	0	110.3	F566 Q567 L568 F572 N573	F566-I570 VanDerWaalsContact O-CD1 3.3Å; F566-I570 WeakPolarHBondContact O-CD1 3.36Å; F566-I570 WeakPolarHBondContact O-CG1 3.48Å; Q567-I570 WeakPolarHBondContact O-CB 3.12Å; Q567-I570 PolarHBondContact O-N 3.3Å; L568-I570 VanDerWaalsContact C-N 3.26Å; L568-I570 PolarHBondContact O-N 3.21Å; I570-F572 VanDerWaalsContact C-N 3.32Å; I570-F572 PolarHBondContact O-N 3.45Å; I570-N573 PolarHBondContact O-N 3.31Å
571	R	92.9	Very high	92.3	Very high	92 Å²	92	38.6 Å²	38.6	35%	0.347	21%	0.213	S	C	.	.	H	α-helix	trans	-64.1	-34.7	-176.7	-76.4	-179.4	169.1	-96.1	1.6	113.6	T386 S387 G388 Q567 L568	T386-R571 WeakPolarHBondContact CG2-O 3.4Å; T386-R571 WeakPolarHBondContact O-CB 3.49Å; T386-R571 WeakPolarHBondContact O-CD 3.28Å; T386-R571 PolarHBondContact O-NH1 3.16Å; S387-R571 WeakPolarHBondContact O-CD 3.4Å; G388-R571 VanDerWaalsContact CA-NH1 3.34Å; Q567-R571 WeakPolarHBondContact O-CG 3.34Å; Q567-R571 PolarHBondContact O-N 3.39Å; L568-R571 PolarHBondContact O-N 3.35Å
572	F	96.1	Very high	92.2	Very high	21 Å²	21	40.8 Å²	40.8	9%	0.092	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	0.1	174.7	-78.5	-97.5	0	0	0	113.2	L383 T386 P415 C418 L419 L568 I570 L574	L383-F572 HydrophobicContact CD1-CE1 3.58Å; L383-F572 HydrophobicContact CD1-CZ 3.63Å; T386-F572 HydrophobicContact CG2-CD1 4.32Å; T386-F572 HydrophobicContact CG2-CD2 4.35Å; T386-F572 HydrophobicContact CG2-CE1 4.22Å; T386-F572 HydrophobicContact CG2-CE2 4.25Å; T386-F572 HydrophobicContact CG2-CG 4.37Å; T386-F572 HydrophobicContact CG2-CZ 4.18Å; P415-F572 HydrophobicContact CB-CZ 3.94Å; C418-F572 HydrophobicContact CB-CB 4.23Å; C418-F572 HydrophobicContact CB-CD1 3.69Å; C418-F572 HydrophobicContact CB-CD2 3.96Å; C418-F572 HydrophobicContact CB-CE1 3.99Å; C418-F572 HydrophobicContact CB-CE2 4.24Å; C418-F572 HydrophobicContact CB-CG 3.69Å; C418-F572 HydrophobicContact CB-CZ 4.26Å; L419-F572 HydrophobicContact CD2-CD1 4.24Å; L419-F572 HydrophobicContact CD2-CE1 3.96Å; L419-F572 HydrophobicContact CG-CE1 4.33Å; L568-F572 HydrophobicContact CD2-CD2 4.07Å; L568-F572 HydrophobicContact CD2-CE2 3.76Å; L568-F572 WeakPolarHBondContact O-CB 3.39Å; L568-F572 WeakPolarHBondContact O-CD2 3.35Å; L568-F572 PolarHBondContact O-N 3.08Å; I570-F572 VanDerWaalsContact C-N 3.32Å; I570-F572 PolarHBondContact O-N 3.45Å; F572-L574 HydrophobicContact CB-CD1 4.47Å; F572-L574 HydrophobicContact CB-CD2 3.63Å; F572-L574 HydrophobicContact CB-CG 3.76Å; F572-L574 PolarHBondContact O-N 3.07Å
573	N	95.4	Very high	91.9	Very high	107 Å²	107	44.9 Å²	44.9	57%	0.572	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	39.4	-174.9	-166.9	49	0	0	0	113.4	P569 I570	P569-N573 CarbonylContact O-C 3.52Å; P569-N573 WeakPolarHBondContact O-CA 3.46Å; P569-N573 PolarHBondContact O-N 3.29Å; P569-N573 VanDerWaalsContact O-N 3.14Å; I570-N573 PolarHBondContact O-N 3.31Å
574	L	96.7	Very high	91.7	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.268	C	S	.	.			trans	-68.4	137.2	179.8	-54.7	-173.8	0	0	0	110.3	C418 F421 D422 F467 P569 F572 P587 I589	C418-L574 HydrophobicContact CB-CD1 4.16Å; C418-L574 HydrophobicContact CB-CD2 4.44Å; F421-L574 HydrophobicContact CD1-CB 4.07Å; F421-L574 HydrophobicContact CD1-CD1 4.17Å; F421-L574 HydrophobicContact CD1-CD2 4.07Å; F421-L574 HydrophobicContact CD1-CG 4.33Å; F421-L574 HydrophobicContact CE1-CB 4.12Å; F421-L574 HydrophobicContact CG-CD1 4.46Å; D422-L574 HydrophobicContact CB-CD2 3.8Å; F467-L574 HydrophobicContact CD1-CD1 4.36Å; F467-L574 HydrophobicContact CE1-CD1 3.83Å; P569-L574 HydrophobicContact CB-CB 4.35Å; P569-L574 PolarHBondContact O-N 2.99Å; F572-L574 HydrophobicContact CB-CD1 4.47Å; F572-L574 HydrophobicContact CB-CD2 3.63Å; F572-L574 HydrophobicContact CB-CG 3.76Å; F572-L574 PolarHBondContact O-N 3.07Å; L574-P587 HydrophobicContact CB-CG 4.04Å; L574-I589 HydrophobicContact CD1-CD1 4.35Å
575	S	96.2	Very high	91.6	Very high	44 Å²	44	53 Å²	53	31%	0.308	28%	0.283	S	S	.	.			trans	-145.9	158.4	179	57	0	0	0	0	112.8	F421 D583 K585	F421-S575 WeakPolarHBondContact CE1-O 3.43Å; S575-D583 WeakPolarHBondContact CB-O 3.49Å; S575-K585 CarbonylContact C-O 3.56Å; S575-K585 VanDerWaalsContact CA-O 3.22Å; S575-K585 WeakPolarHBondContact CA-O 3.49Å
576	F	95.8	Very high	91.7	Very high	13 Å²	13	58.8 Å²	58.8	6%	0.057	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-141.3	154.6	171.5	71.7	-88	0	0	0	110.4	R426 W428 L431 G578 K585 P587	R426-F576 HydrophobicContact CB-CB 3.84Å; R426-F576 CarbonylContact O-C 3.5Å; R426-F576 VanDerWaalsContact O-CA 3.3Å; R426-F576 WeakPolarHBondContact O-CA 3.46Å; R426-F576 WeakPolarHBondContact O-CB 3.23Å; W428-F576 HydrophobicContact CB-CD2 3.97Å; W428-F576 HydrophobicContact CB-CE2 3.84Å; L431-F576 HydrophobicContact CD1-CD1 3.73Å; L431-F576 HydrophobicContact CD1-CD2 3.8Å; L431-F576 HydrophobicContact CD1-CE1 3.72Å; L431-F576 HydrophobicContact CD1-CE2 3.8Å; L431-F576 HydrophobicContact CD1-CG 3.77Å; L431-F576 HydrophobicContact CD1-CZ 3.76Å; F576-G578 PolarHBondContact O-N 3.16Å; F576-K585 HydrophobicContact CD1-CB 4.19Å; F576-K585 VanDerWaalsContact CD1-O 3.26Å; F576-K585 WeakPolarHBondContact CD1-O 3.21Å; F576-K585 HydrophobicContact CD2-CB 4.45Å; F576-K585 HydrophobicContact CE1-CB 3.77Å; F576-K585 HydrophobicContact CE2-CB 4.04Å; F576-K585 HydrophobicContact CE2-CD 4.43Å; F576-K585 HydrophobicContact CZ-CB 3.68Å; F576-K585 HydrophobicContact CZ-CD 4.36Å; F576-K585 PolarHBondContact N-O 2.99Å; F576-P587 HydrophobicContact CD1-CB 4.35Å
577	V	95.6	Very high	92.1	Very high	54 Å²	54	57.8 Å²	57.8	33%	0.327	30%	0.3	S	S	.	.	B	Isolated β-bridge	trans	-77.6	114.8	176	-173.4	0	0	0	0	109.9	R426 W428 D582 D583	R426-V577 PolarHBondContact O-N 3.44Å; W428-V577 WeakPolarHBondContact CB-O 3.33Å; W428-V577 VanDerWaalsContact CD1-O 3.32Å; W428-V577 PolarHBondContact N-O 3.2Å; V577-D582 CarbonylContact C-O 3.54Å; V577-D582 WeakPolarHBondContact CA-O 3.41Å; V577-D583 HydrophobicContact CG2-CB 4Å
578	G	92.1	Very high	92.3	Very high	4 Å²	4	56.9 Å²	56.9	4%	0.041	30%	0.297	C	S	.	.			trans	-67.3	166.8	176.1	0	0	0	0	0	114	F576 D580 G581 D582	F576-G578 PolarHBondContact O-N 3.16Å; G578-D580 WeakPolarHBondContact CA-OD1 3.38Å; G578-D580 PolarHBondContact O-N 3.5Å; G578-G581 PolarHBondContact O-N 3Å; G578-D582 PolarHBondContact N-O 3.06Å
579	N	89.7	Confident	92.5	Very high	119 Å²	119	56.8 Å²	56.8	64%	0.636	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-22.2	176.6	-170.6	29.5	0	0	0	113.3	W428 G581	W428-N579 VanDerWaalsContact CD1-CA 3.48Å; W428-N579 VanDerWaalsContact CD1-N 3.3Å; W428-N579 HydrophobicContact CD2-CB 4Å; W428-N579 HydrophobicContact CG-CB 4.18Å; W428-N579 HydrophobicContact CZ2-CB 4.09Å; W428-N579 WeakPolarHBondContact CZ2-OD1 3.22Å; N579-G581 VanDerWaalsContact C-N 3.28Å
580	D	88.9	Confident	92.6	Very high	107 Å²	107	56.8 Å²	56.8	57%	0.572	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-1.9	171.1	50.4	-8.7	0	0	0	113.7	G578 D582 K585	G578-D580 WeakPolarHBondContact CA-OD1 3.38Å; G578-D580 PolarHBondContact O-N 3.5Å; D580-D582 VanDerWaalsContact C-N 3.3Å; D580-K585 WeakPolarHBondContact OD1-CE 3.49Å; D580-K585 IonicContact OD1-NZ 3.76Å; D580-K585 PolarHBondContact OD1-NZ 3.27Å; D580-K585 WeakPolarHBondContact OD2-CE 3.42Å; D580-K585 IonicContact OD2-NZ 3.71Å; D580-K585 PolarHBondContact OD2-NZ 3.07Å
581	G	86.2	Confident	92.7	Very high	52 Å²	52	52.9 Å²	52.9	54%	0.536	28%	0.276	S	S	.	.	S	Bend	trans	82.8	0.3	-178.1	0	0	0	0	0	114.7	G578 N579 D583	G578-G581 PolarHBondContact O-N 3Å; N579-G581 VanDerWaalsContact C-N 3.28Å; G581-D583 PolarHBondContact O-N 3.43Å
582	D	87.8	Confident	92.8	Very high	65 Å²	65	48.5 Å²	48.5	35%	0.348	26%	0.259	S	S	.	.			trans	-69.3	117.1	173.1	177.3	12.7	0	0	0	110.2	V577 G578 D580 H584 K585	V577-D582 CarbonylContact C-O 3.54Å; V577-D582 WeakPolarHBondContact CA-O 3.41Å; G578-D582 PolarHBondContact N-O 3.06Å; D580-D582 VanDerWaalsContact C-N 3.3Å; D582-H584 VanDerWaalsContact C-N 3.34Å; D582-H584 WeakPolarHBondContact OD1-CB 3.32Å; D582-H584 PolarHBondContact OD1-N 2.9Å; D582-K585 HydrophobicContact CB-CG 4.44Å
583	D	85.8	Confident	92.7	Very high	87 Å²	87	47.6 Å²	47.6	47%	0.465	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	2.9	-179.6	66.4	-14.9	0	0	0	113.7	S575 V577 G581	S575-D583 WeakPolarHBondContact CB-O 3.49Å; V577-D583 HydrophobicContact CG2-CB 4Å; G581-D583 PolarHBondContact O-N 3.43Å
584	H	86.7	Confident	92.6	Very high	135 Å²	135	42.5 Å²	42.5	63%	0.625	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100	8.7	178.8	-66	-48.8	0	0	0	114.3	D582	D582-H584 VanDerWaalsContact C-N 3.34Å; D582-H584 WeakPolarHBondContact OD1-CB 3.32Å; D582-H584 PolarHBondContact OD1-N 2.9Å
585	K	90.6	Very high	92.4	Very high	69 Å²	69	42.5 Å²	42.5	30%	0.3	23%	0.228	S	C	.	.	B	Isolated β-bridge	trans	-70	133.4	176	-67.7	-167.1	176.1	168.4	0	111.1	S575 F576 D580 D582	S575-K585 CarbonylContact C-O 3.56Å; S575-K585 VanDerWaalsContact CA-O 3.22Å; S575-K585 WeakPolarHBondContact CA-O 3.49Å; F576-K585 HydrophobicContact CD1-CB 4.19Å; F576-K585 VanDerWaalsContact CD1-O 3.26Å; F576-K585 WeakPolarHBondContact CD1-O 3.21Å; F576-K585 HydrophobicContact CD2-CB 4.45Å; F576-K585 HydrophobicContact CE1-CB 3.77Å; F576-K585 HydrophobicContact CE2-CB 4.04Å; F576-K585 HydrophobicContact CE2-CD 4.43Å; F576-K585 HydrophobicContact CZ-CB 3.68Å; F576-K585 HydrophobicContact CZ-CD 4.36Å; F576-K585 PolarHBondContact N-O 2.99Å; D580-K585 WeakPolarHBondContact OD1-CE 3.49Å; D580-K585 IonicContact OD1-NZ 3.76Å; D580-K585 PolarHBondContact OD1-NZ 3.27Å; D580-K585 WeakPolarHBondContact OD2-CE 3.42Å; D580-K585 IonicContact OD2-NZ 3.71Å; D580-K585 PolarHBondContact OD2-NZ 3.07Å; D582-K585 HydrophobicContact CB-CG 4.44Å
586	R	93.5	Very high	92.2	Very high	124 Å²	124	40.5 Å²	40.5	47%	0.468	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-98.7	134.9	-178.7	-63.5	-170.2	173.8	76.6	4.8	110.9
587	P	95.5	Very high	92.1	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.019	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-71.3	161.6	170.5	33.8	-35.6	0	0	0	110.2	F421 F467 C468 P569 L574 F576	F421-P587 HydrophobicContact CE1-CG 4.02Å; F421-P587 HydrophobicContact CE2-CG 4.35Å; F421-P587 HydrophobicContact CZ-CB 4.2Å; F421-P587 HydrophobicContact CZ-CG 3.78Å; F467-P587 HydrophobicContact CB-CB 4.27Å; F467-P587 HydrophobicContact CD1-CB 4.49Å; F467-P587 HydrophobicContact CD1-CG 4.31Å; C468-P587 CarbonylContact O-C 3.59Å; C468-P587 WeakPolarHBondContact O-CA 3.21Å; P569-P587 HydrophobicContact CB-CG 4.37Å; P569-P587 VanDerWaalsContact CB-O 3.25Å; P569-P587 WeakPolarHBondContact CB-O 3.36Å; P569-P587 WeakPolarHBondContact CG-O 3.25Å; L574-P587 HydrophobicContact CB-CG 4.04Å; F576-P587 HydrophobicContact CD1-CB 4.35Å
588	V	93.8	Very high	92.2	Very high	4 Å²	4	38 Å²	38	2%	0.024	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	141.2	162.7	179.5	0	0	0	0	107.7	F467 C468 I470 I473 L564 F566	F467-V588 WeakPolarHBondContact CA-O 3.48Å; C468-V588 PolarHBondContact N-O 3.05Å; C468-V588 PolarHBondContact O-N 3.2Å; I470-V588 HydrophobicContact CG1-CG2 3.7Å; I473-V588 HydrophobicContact CD1-CB 4.29Å; I473-V588 HydrophobicContact CD1-CG1 4.03Å; I473-V588 HydrophobicContact CD1-CG2 4.16Å; I473-V588 HydrophobicContact CG1-CB 4.49Å; I473-V588 HydrophobicContact CG1-CG1 4.37Å; L564-V588 HydrophobicContact CD2-CG1 4.46Å; F566-V588 HydrophobicContact CD1-CG1 4.01Å; F566-V588 HydrophobicContact CD1-CG2 3.78Å; F566-V588 HydrophobicContact CE1-CB 4.34Å; F566-V588 HydrophobicContact CE1-CG1 3.69Å; F566-V588 HydrophobicContact CE1-CG2 3.63Å; F566-V588 HydrophobicContact CZ-CG1 4.09Å
589	I	96.7	Very high	92.4	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	130.3	177.3	-56.1	174.1	0	0	0	108.8	H465 I466 F467 D565 L568 P569 L574	H465-I589 HydrophobicContact CB-CG2 4.13Å; I466-I589 CarbonylContact O-C 3.46Å; I466-I589 WeakPolarHBondContact O-CA 3.5Å; F467-I589 HydrophobicContact CD1-CD1 4.11Å; F467-I589 HydrophobicContact CD1-CG1 3.69Å; F467-I589 HydrophobicContact CE1-CD1 3.53Å; F467-I589 HydrophobicContact CE1-CG1 3.64Å; F467-I589 HydrophobicContact CZ-CD1 4.26Å; F467-I589 HydrophobicContact CZ-CG1 4.48Å; D565-I589 HydrophobicContact CB-CB 4.33Å; D565-I589 PolarHBondContact N-O 2.81Å; D565-I589 PolarHBondContact O-N 3.43Å; D565-I589 VanDerWaalsContact O-N 3.13Å; L568-I589 HydrophobicContact CB-CD1 3.89Å; P569-I589 HydrophobicContact CG-CD1 3.85Å; P569-I589 HydrophobicContact CG-CG1 3.77Å; L574-I589 HydrophobicContact CD1-CD1 4.35Å
590	I	96.3	Very high	92.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	110.3	166.3	-45.1	-174.9	0	0	0	107.3	H465 I466 E476 I477 I562 Q563 L564	H465-I590 WeakPolarHBondContact CA-O 3.45Å; I466-I590 HydrophobicContact CB-CB 4.11Å; I466-I590 HydrophobicContact CB-CG1 4.46Å; I466-I590 PolarHBondContact N-O 3.49Å; I466-I590 PolarHBondContact O-N 3.39Å; E476-I590 HydrophobicContact CB-CD1 3.51Å; E476-I590 HydrophobicContact CG-CD1 4.45Å; I477-I590 HydrophobicContact CD1-CD1 4.08Å; I477-I590 HydrophobicContact CD1-CG2 3.94Å; I477-I590 HydrophobicContact CG1-CD1 4.3Å; I562-I590 HydrophobicContact CG2-CG2 3.63Å; Q563-I590 CarbonylContact O-C 3.46Å; Q563-I590 WeakPolarHBondContact O-CA 3.38Å; L564-I590 HydrophobicContact CD2-CD1 4.21Å; L564-I590 HydrophobicContact CD2-CG1 3.8Å; L564-I590 HydrophobicContact CD2-CG2 4.46Å
591	H	95.3	Very high	92.9	Very high	9 Å²	9	31.3 Å²	31.3	4%	0.042	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	132.4	171.1	-55.8	-98.1	0	0	0	108.4	C414 H465 I562 Q563 D565	C414-H591 PolarHBondContact SG-ND1 2.78Å; H465-H591 AromaticContact CD2-CE1 3.55Å; H465-H591 AromaticContact CD2-CG 3.75Å; H465-H591 AromaticContact CD2-ND1 3.02Å; H465-H591 PolarHBondContact CD2-ND1 2.89Å; H465-H591 AromaticContact NE2-CE1 3.72Å; H465-H591 AromaticContact NE2-CG 3.92Å; H465-H591 AromaticContact NE2-ND1 2.96Å; H465-H591 PolarHBondContact NE2-ND1 2.85Å; I562-H591 CarbonylContact C-O 3.57Å; I562-H591 WeakPolarHBondContact CA-O 3.24Å; Q563-H591 HydrophobicContact CB-CB 4.21Å; Q563-H591 PolarHBondContact N-O 3.37Å; Q563-H591 PolarHBondContact O-N 3.29Å; D565-H591 VanDerWaalsContact CB-CD2 3.47Å; D565-H591 WeakPolarHBondContact CB-CD2 3.4Å; D565-H591 WeakPolarHBondContact CB-NE2 3.44Å; D565-H591 IonicContact OD2-CE1 3.77Å; D565-H591 IonicContact OD2-NE2 2.59Å; D565-H591 PolarHBondContact OD2-NE2 3.45Å
592	R	94.4	Very high	93.4	Very high	1 Å²	1	28.9 Å²	28.9	0%	0.004	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	153.5	175.2	66.9	78	152.6	-171.7	-2.8	113.7	Y365 F370 A464 T561 I562	Y365-R592 VanDerWaalsContact CE1-NH2 3.3Å; F370-R592 VanDerWaalsContact CE1-NH2 3.29Å; A464-R592 HydrophobicContact CB-CG 4.24Å; A464-R592 PolarHBondContact N-O 3.09Å; A464-R592 PolarHBondContact O-N 2.99Å; T561-R592 VanDerWaalsContact O-CA 3.25Å; T561-R592 WeakPolarHBondContact O-CA 3.4Å; I562-R592 HydrophobicContact CG1-CB 4.42Å
593	A	93.8	Very high	93.7	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.008	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	141.7	165.7	0	0	0	0	0	107.8	Q461 A560 T561	Q461-A593 HydrophobicContact CG-CB 3.79Å; A560-A593 WeakPolarHBondContact CA-O 3.36Å; A560-A593 WeakPolarHBondContact CB-O 3.3Å; T561-A593 PolarHBondContact N-O 2.82Å; T561-A593 VanDerWaalsContact N-O 3.12Å; T561-A593 PolarHBondContact O-N 2.86Å; T561-A593 VanDerWaalsContact O-N 3.16Å
594	I	93.4	Very high	94	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	9%	0.093	C	C	.	.	S	Bend	trans	-105.6	-47.5	-179.7	-57.7	-63.5	0	0	0	109.8	D462 F483 L484 V487 Y488 A560	D462-I594 PolarHBondContact OD1-N 2.88Å; D462-I594 WeakPolarHBondContact OD2-CA 3.19Å; D462-I594 VanDerWaalsContact OD2-CB 3.29Å; D462-I594 WeakPolarHBondContact OD2-CB 3.49Å; D462-I594 PolarHBondContact OD2-N 2.9Å; F483-I594 HydrophobicContact CD1-CD1 4.4Å; F483-I594 HydrophobicContact CD1-CG1 3.92Å; F483-I594 HydrophobicContact CE1-CG1 4.08Å; F483-I594 HydrophobicContact CG-CG1 4.3Å; L484-I594 HydrophobicContact CB-CD1 4.05Å; L484-I594 HydrophobicContact CD1-CD1 4.24Å; L484-I594 HydrophobicContact CD1-CG2 4.17Å; V487-I594 HydrophobicContact CB-CG2 3.72Å; V487-I594 HydrophobicContact CG1-CG2 3.84Å; V487-I594 HydrophobicContact CG2-CG2 3.87Å; Y488-I594 HydrophobicContact CE1-CG2 4.06Å; Y488-I594 VanDerWaalsContact CE1-O 3.23Å; Y488-I594 WeakPolarHBondContact CE1-O 3.49Å; Y488-I594 PolarHBondContact OH-O 3.04Å; A560-I594 WeakPolarHBondContact CB-O 3.15Å
595	L	92.4	Very high	94.4	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	6%	0.064	C	C	.	.	S	Bend	trans	-76.4	-34.6	170.2	-58.2	-174.2	0	0	0	111.4	L357 I361 D462 V487 F491 M601	L357-L595 HydrophobicContact CB-CD1 4.26Å; I361-L595 HydrophobicContact CD1-CD1 4.13Å; I361-L595 HydrophobicContact CD1-CD2 3.99Å; I361-L595 HydrophobicContact CD1-CG 3.81Å; I361-L595 HydrophobicContact CG1-CD1 3.51Å; I361-L595 HydrophobicContact CG1-CD2 4.31Å; I361-L595 HydrophobicContact CG1-CG 3.74Å; D462-L595 VanDerWaalsContact CG-N 3.3Å; D462-L595 PolarHBondContact OD1-N 2.68Å; D462-L595 VanDerWaalsContact OD1-N 3.09Å; D462-L595 PolarHBondContact OD2-N 3.35Å; V487-L595 HydrophobicContact CG1-CD2 3.84Å; F491-L595 HydrophobicContact CE2-CD2 3.67Å; F491-L595 HydrophobicContact CZ-CD2 4.1Å; L595-M601 HydrophobicContact CB-CB 4.33Å; L595-M601 HydrophobicContact CB-CE 4.19Å; L595-M601 HydrophobicContact CB-CG 4.36Å; L595-M601 HydrophobicContact CD2-CE 4Å; L595-M601 HydrophobicContact CD2-CG 4.13Å; L595-M601 WeakPolarHBondContact O-CE 3.09Å
596	G	92.1	Very high	94.6	Very high	3 Å²	3	11.9 Å²	11.9	3%	0.031	5%	0.049	C	C	.	.			trans	79.3	-144.9	-157.7	0	0	0	0	0	109	Q461 D462 C559	Q461-G596 WeakPolarHBondContact CA-O 3.45Å; Q461-G596 WeakPolarHBondContact CG-O 3.19Å; D462-G596 PolarHBondContact N-O 3.41Å; D462-G596 PolarHBondContact OD1-N 2.95Å; D462-G596 VanDerWaalsContact OD1-O 3.04Å; C559-G596 WeakPolarHBondContact O-CA 3.39Å
597	S	94.6	Very high	94.5	Very high	13 Å²	13	6.2 Å²	6.2	9%	0.091	3%	0.028	C	C	.	.	B	Isolated β-bridge	trans	-70.8	138.6	173.7	68	0	0	0	0	111.7	Q460 E599 R600 M601	Q460-S597 CarbonylContact O-C 3.55Å; Q460-S597 VanDerWaalsContact O-CA 3.25Å; Q460-S597 WeakPolarHBondContact O-CA 3.31Å; S597-E599 PolarHBondContact O-N 3.44Å; S597-R600 PolarHBondContact O-N 2.87Å; S597-R600 WeakPolarHBondContact OG-CB 3.42Å; S597-R600 PolarHBondContact OG-N 2.78Å; S597-M601 PolarHBondContact O-N 3.33Å
598	V	96.6	Very high	94.3	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-59.6	-39	176.6	-177.5	0	0	0	0	109.8	Y354 L357 I358 F438 Q460 M601 I602	Y354-V598 HydrophobicContact CD1-CG1 4.12Å; Y354-V598 HydrophobicContact CD2-CB 4.23Å; Y354-V598 HydrophobicContact CD2-CG1 3.47Å; Y354-V598 VanDerWaalsContact CD2-CG1 3.47Å; Y354-V598 HydrophobicContact CE1-CB 4.46Å; Y354-V598 HydrophobicContact CE1-CG1 4.17Å; Y354-V598 HydrophobicContact CE2-CB 3.72Å; Y354-V598 HydrophobicContact CE2-CG1 3.5Å; Y354-V598 VanDerWaalsContact CE2-CG1 3.5Å; Y354-V598 HydrophobicContact CG-CG1 3.78Å; L357-V598 HydrophobicContact CB-CG1 4.44Å; L357-V598 HydrophobicContact CD1-CG1 4.21Å; I358-V598 HydrophobicContact CD1-CG2 4.41Å; I358-V598 HydrophobicContact CG1-CG2 4.05Å; F438-V598 HydrophobicContact CE1-CG2 4.42Å; Q460-V598 PolarHBondContact O-N 3.21Å; V598-M601 PolarHBondContact O-N 2.87Å; V598-I602 HydrophobicContact CG1-CD1 4.1Å; V598-I602 HydrophobicContact CG1-CG1 4.47Å; V598-I602 VanDerWaalsContact O-CG1 3.3Å; V598-I602 WeakPolarHBondContact O-CG1 3.36Å; V598-I602 PolarHBondContact O-N 2.94Å
599	E	96.4	Very high	94.2	Very high	2 Å²	2	9.3 Å²	9.3	1%	0.009	4%	0.042	C	C	.	.	H	α-helix	trans	-55.6	-54.6	174.3	-67	77.5	-172.9	0	0	111.6	F346 Y354 L453 V456 R458 F459 Q460 S597 M601 I602 A603	F346-E599 HydrophobicContact CE2-CG 4.08Å; F346-E599 HydrophobicContact CZ-CG 4.04Å; Y354-E599 HydrophobicContact CE2-CG 4.42Å; Y354-E599 PolarHBondContact OH-OE1 3.05Å; L453-E599 WeakPolarHBondContact CB-O 3.45Å; L453-E599 HydrophobicContact CD2-CB 4Å; L453-E599 HydrophobicContact CD2-CG 4.2Å; L453-E599 CarbonylContact O-C 3.59Å; V456-E599 HydrophobicContact CG2-CB 4.32Å; V456-E599 HydrophobicContact CG2-CG 4.47Å; R458-E599 IonicContact CZ-OE1 3.52Å; R458-E599 IonicContact NH1-OE1 3.56Å; R458-E599 PolarHBondContact NH1-OE1 3.21Å; F459-E599 WeakPolarHBondContact CA-OE1 3.29Å; F459-E599 WeakPolarHBondContact CA-OE2 3.22Å; F459-E599 VanDerWaalsContact CB-OE2 3.31Å; F459-E599 WeakPolarHBondContact CB-OE2 3.29Å; Q460-E599 PolarHBondContact N-OE1 2.88Å; Q460-E599 PolarHBondContact N-OE2 2.83Å; S597-E599 PolarHBondContact O-N 3.44Å; E599-M601 VanDerWaalsContact C-N 3.3Å; E599-M601 PolarHBondContact O-N 3.44Å; E599-I602 PolarHBondContact O-N 2.87Å; E599-A603 PolarHBondContact O-N 3.45Å; E599-A603 VanDerWaalsContact O-N 3.11Å
600	R	94.2	Very high	94	Very high	89 Å²	89	10.4 Å²	10.4	34%	0.336	5%	0.053	S	C	.	.	H	α-helix	trans	-63.3	-39.7	-179.1	-179.7	178.5	-69.6	174.9	0.4	111	L453 T454 Q558 S597 A603 I604	L453-R600 WeakPolarHBondContact O-CA 3.5Å; L453-R600 PolarHBondContact O-N 2.79Å; T454-R600 PolarHBondContact O-NE 3.35Å; T454-R600 PolarHBondContact O-NH2 2.9Å; Q558-R600 PolarHBondContact O-NH1 3.32Å; S597-R600 PolarHBondContact O-N 2.87Å; S597-R600 WeakPolarHBondContact OG-CB 3.42Å; S597-R600 PolarHBondContact OG-N 2.78Å; R600-A603 VanDerWaalsContact O-CB 3.28Å; R600-A603 WeakPolarHBondContact O-CB 3.41Å; R600-A603 PolarHBondContact O-N 3.32Å; R600-I604 HydrophobicContact CG-CD1 3.87Å; R600-I604 HydrophobicContact CG-CG1 4.48Å; R600-I604 WeakPolarHBondContact O-CG1 3.11Å; R600-I604 PolarHBondContact O-N 3.2Å
601	M	95.1	Very high	93.8	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-63	-42.1	177.6	-176.9	54.6	68.5	0	0	112	L357 F493 I549 L595 S597 V598 E599 A603 I604 L605	L357-M601 HydrophobicContact CD1-CG 4.34Å; F493-M601 HydrophobicContact CE2-SD 3.97Å; I549-M601 HydrophobicContact CD1-CE 4.07Å; L595-M601 HydrophobicContact CB-CB 4.33Å; L595-M601 HydrophobicContact CB-CE 4.19Å; L595-M601 HydrophobicContact CB-CG 4.36Å; L595-M601 HydrophobicContact CD2-CE 4Å; L595-M601 HydrophobicContact CD2-CG 4.13Å; L595-M601 WeakPolarHBondContact O-CE 3.09Å; S597-M601 PolarHBondContact O-N 3.33Å; V598-M601 PolarHBondContact O-N 2.87Å; E599-M601 VanDerWaalsContact C-N 3.3Å; E599-M601 PolarHBondContact O-N 3.44Å; M601-A603 VanDerWaalsContact C-N 3.29Å; M601-A603 PolarHBondContact O-N 3.17Å; M601-I604 PolarHBondContact O-N 3.23Å; M601-L605 HydrophobicContact CG-CD1 3.7Å; M601-L605 HydrophobicContact CG-CG 4.21Å; M601-L605 WeakPolarHBondContact O-CB 3.06Å; M601-L605 VanDerWaalsContact O-CG 3.28Å; M601-L605 WeakPolarHBondContact O-CG 3.43Å; M601-L605 PolarHBondContact O-N 3.32Å; M601-L605 HydrophobicContact SD-CD1 3.89Å; M601-L605 HydrophobicContact SD-CD2 4.35Å; M601-L605 HydrophobicContact SD-CG 3.82Å
602	I	96.3	Very high	93.8	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-59.4	-42.1	173.8	-69	169.8	0	0	0	110.7	F346 I353 Y354 L357 L453 V598 E599 L605 T606 W613	F346-I602 HydrophobicContact CE1-CD1 3.66Å; F346-I602 HydrophobicContact CZ-CD1 4Å; I353-I602 HydrophobicContact CG2-CD1 4.26Å; I353-I602 HydrophobicContact CG2-CG1 3.89Å; Y354-I602 HydrophobicContact CD2-CD1 3.66Å; Y354-I602 HydrophobicContact CG-CD1 4.29Å; L357-I602 HydrophobicContact CD1-CD1 4.43Å; L357-I602 HydrophobicContact CD1-CG1 3.64Å; L453-I602 HydrophobicContact CD1-CB 4.11Å; L453-I602 HydrophobicContact CD1-CG2 3.74Å; V598-I602 HydrophobicContact CG1-CD1 4.1Å; V598-I602 HydrophobicContact CG1-CG1 4.47Å; V598-I602 VanDerWaalsContact O-CG1 3.3Å; V598-I602 WeakPolarHBondContact O-CG1 3.36Å; V598-I602 PolarHBondContact O-N 2.94Å; E599-I602 PolarHBondContact O-N 2.87Å; I602-L605 PolarHBondContact O-N 3.43Å; I602-T606 WeakPolarHBondContact O-CB 3.23Å; I602-T606 PolarHBondContact O-N 3.15Å; I602-T606 PolarHBondContact O-OG1 3.05Å; I602-W613 HydrophobicContact CG2-CH2 4.44Å
603	A	94.4	Very high	93.8	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-57.5	-51.3	176.6	0	0	0	0	0	111.7	H324 L453 T454 E599 R600 M601 T606 E607	H324-A603 HydrophobicContact CB-CB 4.26Å; L453-A603 HydrophobicContact CB-CB 3.73Å; T454-A603 HydrophobicContact CG2-CB 3.67Å; E599-A603 PolarHBondContact O-N 3.45Å; E599-A603 VanDerWaalsContact O-N 3.11Å; R600-A603 VanDerWaalsContact O-CB 3.28Å; R600-A603 WeakPolarHBondContact O-CB 3.41Å; R600-A603 PolarHBondContact O-N 3.32Å; M601-A603 VanDerWaalsContact C-N 3.29Å; M601-A603 PolarHBondContact O-N 3.17Å; A603-T606 PolarHBondContact O-N 3.28Å; A603-E607 PolarHBondContact O-N 3.48Å; A603-E607 VanDerWaalsContact O-N 3.08Å
604	I	92.8	Very high	94	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-64.6	-44	-178	-65.7	167.6	0	0	0	110.7	F493 D551 H557 C559 R600 M601 E607 N608	F493-I604 HydrophobicContact CE1-CG2 4.16Å; F493-I604 HydrophobicContact CZ-CG2 3.74Å; D551-I604 HydrophobicContact CB-CG2 4.45Å; H557-I604 HydrophobicContact CB-CD1 3.69Å; C559-I604 WeakPolarHBondContact SG-CD1 3.43Å; R600-I604 HydrophobicContact CG-CD1 3.87Å; R600-I604 HydrophobicContact CG-CG1 4.48Å; R600-I604 WeakPolarHBondContact O-CG1 3.11Å; R600-I604 PolarHBondContact O-N 3.2Å; M601-I604 PolarHBondContact O-N 3.23Å; I604-E607 PolarHBondContact O-N 3.29Å; I604-N608 WeakPolarHBondContact O-CB 3.15Å; I604-N608 PolarHBondContact O-N 2.82Å
605	L	94.3	Very high	94.2	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-65.9	-39.5	178.2	-69	168	0	0	0	111.9	L357 F491 F493 M601 I602 E607 N608 Y609 W613 L617	L357-L605 HydrophobicContact CD1-CD1 4.16Å; L357-L605 HydrophobicContact CD2-CD1 3.88Å; F491-L605 HydrophobicContact CB-CD2 4.18Å; F491-L605 HydrophobicContact CD1-CD1 4.28Å; F491-L605 HydrophobicContact CD1-CD2 3.57Å; F491-L605 HydrophobicContact CE1-CD1 3.91Å; F491-L605 HydrophobicContact CE1-CD2 4.07Å; F491-L605 HydrophobicContact CG-CD2 3.9Å; F491-L605 HydrophobicContact CZ-CD1 4.32Å; F493-L605 HydrophobicContact CE2-CD2 3.68Å; F493-L605 HydrophobicContact CE2-CG 4.46Å; F493-L605 HydrophobicContact CZ-CD2 3.47Å; F493-L605 VanDerWaalsContact CZ-CD2 3.47Å; F493-L605 HydrophobicContact CZ-CG 4.22Å; M601-L605 HydrophobicContact CG-CD1 3.7Å; M601-L605 HydrophobicContact CG-CG 4.21Å; M601-L605 WeakPolarHBondContact O-CB 3.06Å; M601-L605 VanDerWaalsContact O-CG 3.28Å; M601-L605 WeakPolarHBondContact O-CG 3.43Å; M601-L605 PolarHBondContact O-N 3.32Å; M601-L605 HydrophobicContact SD-CD1 3.89Å; M601-L605 HydrophobicContact SD-CD2 4.35Å; M601-L605 HydrophobicContact SD-CG 3.82Å; I602-L605 PolarHBondContact O-N 3.43Å; L605-E607 VanDerWaalsContact C-N 3.32Å; L605-E607 PolarHBondContact O-N 3.41Å; L605-N608 PolarHBondContact O-N 3.45Å; L605-Y609 HydrophobicContact CB-CD2 4.3Å; L605-Y609 HydrophobicContact CB-CE2 4.27Å; L605-Y609 HydrophobicContact CD2-CD2 4.48Å; L605-Y609 HydrophobicContact CD2-CE2 3.71Å; L605-Y609 WeakPolarHBondContact O-CB 3.48Å; L605-Y609 WeakPolarHBondContact O-CD2 3.38Å; L605-Y609 PolarHBondContact O-N 2.7Å; L605-W613 HydrophobicContact CB-CH2 4.18Å; L605-W613 HydrophobicContact CB-CZ3 3.67Å; L605-L617 HydrophobicContact CD1-CD2 3.95Å
606	T	94.7	Very high	94.4	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-58	-47.5	175.4	-54.4	0	0	0	0	110.3	H324 L327 I602 A603 G610 G611 W613	H324-T606 HydrophobicContact CB-CG2 4.04Å; L327-T606 HydrophobicContact CB-CG2 3.68Å; L327-T606 HydrophobicContact CD1-CG2 3.92Å; L327-T606 HydrophobicContact CG-CG2 4.48Å; I602-T606 WeakPolarHBondContact O-CB 3.23Å; I602-T606 PolarHBondContact O-N 3.15Å; I602-T606 PolarHBondContact O-OG1 3.05Å; A603-T606 PolarHBondContact O-N 3.28Å; T606-G610 WeakPolarHBondContact O-CA 3.27Å; T606-G610 PolarHBondContact O-N 2.96Å; T606-G611 PolarHBondContact O-N 3.38Å; T606-W613 HydrophobicContact CG2-CZ2 4.1Å; T606-W613 WeakPolarHBondContact OG1-CH2 3.5Å; T606-W613 WeakPolarHBondContact OG1-CZ2 3.24Å
607	E	92.3	Very high	94.6	Very high	5 Å²	5	15 Å²	15	2%	0.023	7%	0.072	C	C	.	.	H	α-helix	trans	-68.9	-41.3	179.6	-78.8	166.3	176.5	0	0	112.5	R322 H324 R555 A603 I604 L605 G610	R322-E607 PolarHBondContact NH1-O 2.92Å; R322-E607 WeakPolarHBondContact O-CA 3.21Å; R322-E607 WeakPolarHBondContact O-CG 3.19Å; H324-E607 HydrophobicContact CB-CG 4.06Å; H324-E607 IonicContact CE1-OE1 3.26Å; H324-E607 IonicContact CG-OE1 3.66Å; H324-E607 PolarHBondContact N-OE1 3.19Å; H324-E607 IonicContact ND1-OE1 2.58Å; H324-E607 PolarHBondContact ND1-OE1 3.41Å; R555-E607 IonicContact CZ-OE2 3.02Å; R555-E607 VanDerWaalsContact NH2-CD 3.35Å; R555-E607 IonicContact NH2-OE1 2.82Å; R555-E607 IonicContact NH2-OE2 3.68Å; R555-E607 PolarHBondContact NH2-OE2 3.48Å; A603-E607 PolarHBondContact O-N 3.48Å; A603-E607 VanDerWaalsContact O-N 3.08Å; I604-E607 PolarHBondContact O-N 3.29Å; L605-E607 VanDerWaalsContact C-N 3.32Å; L605-E607 PolarHBondContact O-N 3.41Å; E607-G610 PolarHBondContact O-N 3.16Å
608	N	90.9	Very high	94.7	Very high	31 Å²	31	14.5 Å²	14.5	17%	0.166	7%	0.069	C	C	.	.	H	α-helix	trans	-62.7	-49.6	-179.7	-172.4	67.1	0	0	0	111.6	R322 F493 A552 I604 L605 G610	R322-N608 PolarHBondContact NH1-O 2.75Å; F493-N608 HydrophobicContact CE1-CB 3.85Å; F493-N608 VanDerWaalsContact CE1-CG 3.46Å; F493-N608 HydrophobicContact CZ-CB 4.36Å; A552-N608 HydrophobicContact CB-CB 4.49Å; A552-N608 WeakPolarHBondContact CB-O 3.35Å; A552-N608 WeakPolarHBondContact CB-OD1 3.46Å; A552-N608 PolarHBondContact N-OD1 3.48Å; I604-N608 WeakPolarHBondContact O-CB 3.15Å; I604-N608 PolarHBondContact O-N 2.82Å; L605-N608 PolarHBondContact O-N 3.45Å; N608-G610 VanDerWaalsContact C-N 3.29Å; N608-G610 PolarHBondContact O-N 3.28Å
609	Y	91.9	Very high	94.7	Very high	40 Å²	40	14.8 Å²	14.8	16%	0.157	7%	0.07	C	C	.	.	H	α-helix	trans	-81.3	-7.2	178.4	-62.4	-49.4	0	0	0	113.4	F491 L605 G611 K612 W613 P614	F491-Y609 PolarHBondContact O-OH 3.38Å; L605-Y609 HydrophobicContact CB-CD2 4.3Å; L605-Y609 HydrophobicContact CB-CE2 4.27Å; L605-Y609 HydrophobicContact CD2-CD2 4.48Å; L605-Y609 HydrophobicContact CD2-CE2 3.71Å; L605-Y609 WeakPolarHBondContact O-CB 3.48Å; L605-Y609 WeakPolarHBondContact O-CD2 3.38Å; L605-Y609 PolarHBondContact O-N 2.7Å; Y609-G611 PolarHBondContact O-N 2.78Å; Y609-K612 WeakPolarHBondContact O-CB 3.32Å; Y609-K612 PolarHBondContact O-N 3.37Å; Y609-W613 HydrophobicContact CD2-CE3 4.11Å; Y609-W613 HydrophobicContact CD2-CZ3 4.45Å; Y609-P614 HydrophobicContact CE2-CG 4.01Å
610	G	91.8	Very high	94.6	Very high	24 Å²	24	15 Å²	15	25%	0.247	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	35.3	-173.8	0	0	0	0	0	112.3	L327 T606 E607 N608 K612	L327-G610 VanDerWaalsContact CD1-C 3.48Å; T606-G610 WeakPolarHBondContact O-CA 3.27Å; T606-G610 PolarHBondContact O-N 2.96Å; E607-G610 PolarHBondContact O-N 3.16Å; N608-G610 VanDerWaalsContact C-N 3.29Å; N608-G610 PolarHBondContact O-N 3.28Å; G610-K612 VanDerWaalsContact C-N 3.25Å; G610-K612 PolarHBondContact O-N 2.98Å
611	G	92.3	Very high	94.8	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	1.7	-175.3	0	0	0	0	0	115.2	Q331 T606 Y609 W613	Q331-G611 VanDerWaalsContact NE2-CA 3.29Å; Q331-G611 PolarHBondContact NE2-O 3.08Å; T606-G611 PolarHBondContact O-N 3.38Å; Y609-G611 PolarHBondContact O-N 2.78Å; G611-W613 VanDerWaalsContact O-CD1 3.28Å; G611-W613 PolarHBondContact O-N 2.86Å
612	K	94.2	Very high	94.9	Very high	97 Å²	97	10.8 Å²	10.8	42%	0.422	6%	0.057	S	C	.	.			trans	-90.9	72.3	175.4	-60.6	-163.7	169.7	-169.1	0	111.7	Y609 G610 D693	Y609-K612 WeakPolarHBondContact O-CB 3.32Å; Y609-K612 PolarHBondContact O-N 3.37Å; G610-K612 VanDerWaalsContact C-N 3.25Å; G610-K612 PolarHBondContact O-N 2.98Å; K612-D693 IonicContact NZ-OD1 2.71Å
613	W	96.1	Very high	95	Very high	3 Å²	3	11.6 Å²	11.6	1%	0.011	6%	0.061	C	C	.	.			trans	-61.4	139.6	-174.5	-57.9	97.3	0	0	0	113.6	L333 I353 I602 L605 T606 Y609 G611 L617 S618 N672 R692	L333-W613 HydrophobicContact CD1-CZ2 3.77Å; I353-W613 HydrophobicContact CD1-CD2 4.16Å; I353-W613 HydrophobicContact CD1-CE3 4.42Å; I353-W613 HydrophobicContact CD1-CH2 3.93Å; I353-W613 HydrophobicContact CD1-CZ2 3.64Å; I353-W613 HydrophobicContact CD1-CZ3 4.3Å; I353-W613 HydrophobicContact CG2-CH2 4.33Å; I353-W613 HydrophobicContact CG2-CZ3 4.17Å; I602-W613 HydrophobicContact CG2-CH2 4.44Å; L605-W613 HydrophobicContact CB-CH2 4.18Å; L605-W613 HydrophobicContact CB-CZ3 3.67Å; T606-W613 HydrophobicContact CG2-CZ2 4.1Å; T606-W613 WeakPolarHBondContact OG1-CH2 3.5Å; T606-W613 WeakPolarHBondContact OG1-CZ2 3.24Å; Y609-W613 HydrophobicContact CD2-CE3 4.11Å; Y609-W613 HydrophobicContact CD2-CZ3 4.45Å; G611-W613 VanDerWaalsContact O-CD1 3.28Å; G611-W613 PolarHBondContact O-N 2.86Å; W613-L617 HydrophobicContact CE3-CD2 3.69Å; W613-L617 HydrophobicContact CE3-CG 3.99Å; W613-L617 HydrophobicContact CZ3-CD2 3.79Å; W613-L617 HydrophobicContact CZ3-CG 4.35Å; W613-S618 VanDerWaalsContact CB-CA 3.47Å; W613-N672 PolarHBondContact O-ND2 3.33Å; W613-R692 PolarHBondContact O-NH2 3.46Å
614	P	96.6	Very high	95.2	Very high	3 Å²	3	11.6 Å²	11.6	2%	0.019	6%	0.061	C	C	.	.			trans	-63.8	151.4	171.4	28.7	-35	0	0	0	110.3	Y609 W616 L617 S618	Y609-P614 HydrophobicContact CE2-CG 4.01Å; P614-W616 PolarHBondContact O-N 2.96Å; P614-L617 HydrophobicContact CG-CB 4.1Å; P614-L617 PolarHBondContact O-N 3.08Å; P614-S618 WeakPolarHBondContact O-CB 3.47Å; P614-S618 PolarHBondContact O-N 2.84Å
615	L	97.4	Very high	95.5	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.3	-44.4	-171.2	176.3	65.7	0	0	0	113	L617 S618 Q621 N672 F673 L709 L712 K713 A720	L615-L617 PolarHBondContact O-N 2.85Å; L615-S618 PolarHBondContact O-N 2.93Å; L615-Q621 HydrophobicContact CD1-CB 3.9Å; L615-Q621 HydrophobicContact CD1-CG 4.15Å; L615-Q621 PolarHBondContact O-NE2 3.39Å; L615-N672 VanDerWaalsContact CA-ND2 3.34Å; L615-N672 WeakPolarHBondContact CA-ND2 3.47Å; L615-N672 HydrophobicContact CD1-CB 3.94Å; L615-N672 PolarHBondContact N-ND2 2.78Å; L615-F673 HydrophobicContact CD1-CD2 4.04Å; L615-F673 HydrophobicContact CD1-CE2 3.95Å; L615-F673 HydrophobicContact CD2-CE2 4.08Å; L615-F673 HydrophobicContact CG-CE2 4.49Å; L615-L709 HydrophobicContact CD2-CB 4.34Å; L615-L709 HydrophobicContact CD2-CD2 4.17Å; L615-L712 HydrophobicContact CD2-CB 3.85Å; L615-K713 HydrophobicContact CD2-CB 4.42Å; L615-A720 HydrophobicContact CB-CB 3.67Å; L615-A720 HydrophobicContact CD2-CB 3.99Å; L615-A720 HydrophobicContact CG-CB 4.47Å
616	W	96.9	Very high	95.6	Very high	9 Å²	9	11.8 Å²	11.8	3%	0.034	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-23.9	-175.3	73.4	-88.2	0	0	0	114.3	T356 L357 F360 V490 F491 P614 K713 R716	T356-W616 HydrophobicContact CG2-CE3 3.65Å; T356-W616 HydrophobicContact CG2-CZ3 3.74Å; T356-W616 WeakPolarHBondContact CG2-O 3.02Å; L357-W616 HydrophobicContact CD2-CH2 4.34Å; F360-W616 HydrophobicContact CB-CZ3 4.18Å; F360-W616 AromaticContact CD1-CH2 3.79Å; F360-W616 HydrophobicContact CD1-CH2 3.79Å; F360-W616 HydrophobicContact CD1-CZ3 4.29Å; F360-W616 HydrophobicContact CE1-CH2 4.32Å; F360-W616 HydrophobicContact CG-CH2 4.32Å; F360-W616 HydrophobicContact CG-CZ3 4.39Å; V490-W616 HydrophobicContact CG1-CZ2 3.78Å; F491-W616 HydrophobicContact CD1-CZ2 4.06Å; F491-W616 AromaticContact CE1-CH2 3.64Å; F491-W616 HydrophobicContact CE1-CH2 3.64Å; F491-W616 AromaticContact CE1-CZ2 3.58Å; F491-W616 HydrophobicContact CE1-CZ2 3.58Å; F491-W616 HydrophobicContact CZ-CH2 4.22Å; P614-W616 PolarHBondContact O-N 2.96Å; W616-K713 HydrophobicContact CB-CG 3.99Å; W616-R716 HydrophobicContact CD2-CB 4.35Å; W616-R716 HydrophobicContact CD2-CG 4.28Å; W616-R716 HydrophobicContact CG-CB 4.13Å; W616-R716 HydrophobicContact CG-CG 4.27Å
617	L	97.1	Very high	95.6	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-16.1	-178.3	-167.7	60.8	0	0	0	112.8	I353 T356 L357 L605 W613 P614 L615	I353-L617 HydrophobicContact CB-CD1 4.41Å; I353-L617 WeakPolarHBondContact CG1-O 3.38Å; I353-L617 HydrophobicContact CG2-CD1 3.78Å; I353-L617 HydrophobicContact CG2-CD2 4.39Å; I353-L617 HydrophobicContact CG2-CG 4.03Å; T356-L617 HydrophobicContact CG2-CD1 3.81Å; L357-L617 HydrophobicContact CD2-CD1 3.99Å; L357-L617 HydrophobicContact CD2-CD2 4.27Å; L357-L617 HydrophobicContact CG-CD1 3.97Å; L605-L617 HydrophobicContact CD1-CD2 3.95Å; W613-L617 HydrophobicContact CE3-CD2 3.69Å; W613-L617 HydrophobicContact CE3-CG 3.99Å; W613-L617 HydrophobicContact CZ3-CD2 3.79Å; W613-L617 HydrophobicContact CZ3-CG 4.35Å; P614-L617 HydrophobicContact CG-CB 4.1Å; P614-L617 PolarHBondContact O-N 3.08Å; L615-L617 PolarHBondContact O-N 2.85Å
618	S	97.3	Very high	95.5	Very high	2 Å²	2	16.5 Å²	16.5	1%	0.014	10%	0.096	C	C	.	.			trans	-65.7	130.2	-172.6	-177.1	0	0	0	0	112.6	F352 W613 P614 L615 G620 Q621 N672	F352-S618 WeakPolarHBondContact CE1-O 3.36Å; W613-S618 VanDerWaalsContact CB-CA 3.47Å; P614-S618 WeakPolarHBondContact O-CB 3.47Å; P614-S618 PolarHBondContact O-N 2.84Å; L615-S618 PolarHBondContact O-N 2.93Å; S618-G620 PolarHBondContact O-N 3.21Å; S618-G620 PolarHBondContact OG-N 3.42Å; S618-G620 PolarHBondContact OG-O 3.18Å; S618-Q621 WeakPolarHBondContact O-CG 3.37Å; S618-N672 WeakPolarHBondContact CB-OD1 3.32Å; S618-N672 PolarHBondContact OG-OD1 2.85Å
619	P	95.3	Very high	95.5	Very high	6 Å²	6	19.9 Å²	19.9	4%	0.039	12%	0.12	C	C	.	.	S	Bend	trans	-77.5	-7.9	173.1	33.4	-35.9	0	0	0	113.2	L333 K349 F352 I353 M648	L333-P619 HydrophobicContact CD2-CG 4.02Å; K349-P619 HydrophobicContact CB-CB 3.61Å; K349-P619 HydrophobicContact CB-CG 4.17Å; K349-P619 HydrophobicContact CG-CB 3.95Å; F352-P619 HydrophobicContact CD1-CB 4.31Å; I353-P619 HydrophobicContact CD1-CG 4.06Å; I353-P619 HydrophobicContact CG1-CG 4.38Å; P619-M648 WeakPolarHBondContact O-CB 3.18Å
620	G	95.4	Very high	95.6	Very high	7 Å²	7	22.2 Å²	22.2	7%	0.072	14%	0.138	C	C	.	.			trans	-122.3	78.9	172.7	0	0	0	0	0	109.4	S618 Y671 N672	S618-G620 PolarHBondContact O-N 3.21Å; S618-G620 PolarHBondContact OG-N 3.42Å; S618-G620 PolarHBondContact OG-O 3.18Å; G620-Y671 CarbonylContact O-C 3.59Å; G620-Y671 WeakPolarHBondContact O-CA 3.34Å; G620-N672 PolarHBondContact O-N 3.43Å; G620-N672 PolarHBondContact O-OD1 2.92Å; G620-N672 VanDerWaalsContact O-OD1 3.09Å
621	Q	97.6	Very high	95.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.127	C	C	.	.			trans	-80.3	-45.9	-176.2	-58.6	-179.4	-72.2	0	0	110.7	L615 S618 F647 M648 N672 F673	L615-Q621 HydrophobicContact CD1-CB 3.9Å; L615-Q621 HydrophobicContact CD1-CG 4.15Å; L615-Q621 PolarHBondContact O-NE2 3.39Å; S618-Q621 WeakPolarHBondContact O-CG 3.37Å; Q621-F647 HydrophobicContact CB-CD1 4.31Å; Q621-F647 VanDerWaalsContact OE1-CA 3.28Å; Q621-M648 HydrophobicContact CB-CB 4.46Å; Q621-M648 WeakPolarHBondContact CB-O 3.2Å; Q621-M648 HydrophobicContact CG-CB 4.15Å; Q621-M648 PolarHBondContact N-O 2.87Å; Q621-N672 WeakPolarHBondContact O-CB 3.46Å; Q621-F673 PolarHBondContact O-N 3.08Å
622	V	98.2	Very high	95.9	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	129.7	-174	177.8	0	0	0	0	110.6	V624 F642 M648 A649 D650 F673 L675 L709	V622-V624 HydrophobicContact CG1-CG2 4.22Å; V622-F642 HydrophobicContact CG1-CD1 4.47Å; V622-F642 HydrophobicContact CG1-CD2 4.42Å; V622-F642 HydrophobicContact CG1-CG 4.35Å; V622-F642 HydrophobicContact CG2-CD1 3.85Å; V622-F642 HydrophobicContact CG2-CE1 4.03Å; V622-F642 HydrophobicContact CG2-CG 4.44Å; V622-M648 PolarHBondContact N-O 3.21Å; V622-A649 HydrophobicContact CB-CB 4.1Å; V622-A649 HydrophobicContact CG1-CB 4.42Å; V622-A649 VanDerWaalsContact O-CA 3.31Å; V622-A649 WeakPolarHBondContact O-CA 3.44Å; V622-D650 PolarHBondContact O-N 3.21Å; V622-F673 CarbonylContact C-O 3.52Å; V622-F673 WeakPolarHBondContact CA-O 3.13Å; V622-L675 HydrophobicContact CG1-CD1 3.44Å; V622-L675 VanDerWaalsContact CG1-CD1 3.44Å; V622-L675 HydrophobicContact CG1-CG 3.81Å; V622-L709 HydrophobicContact CG2-CD1 3.87Å
623	M	98.2	Very high	96	Very high	16 Å²	16	27.2 Å²	27.2	8%	0.079	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	122.6	167.6	172.3	60.5	67.5	0	0	109.4	V625 D650 D652 A666 Y671 F673 I674 L675	M623-V625 HydrophobicContact CG-CG2 3.78Å; M623-D650 CarbonylContact C-O 3.6Å; M623-D650 WeakPolarHBondContact CA-O 3.41Å; M623-D650 HydrophobicContact CE-CB 3.78Å; M623-D650 HydrophobicContact SD-CB 4.33Å; M623-D652 HydrophobicContact SD-CB 3.89Å; M623-A666 HydrophobicContact CB-CB 4.04Å; M623-A666 HydrophobicContact CG-CB 3.67Å; M623-Y671 HydrophobicContact CB-CD1 3.66Å; M623-Y671 HydrophobicContact CB-CD2 4.18Å; M623-Y671 HydrophobicContact CB-CE1 4.09Å; M623-Y671 HydrophobicContact CB-CG 3.7Å; M623-Y671 HydrophobicContact CE-CD2 4.18Å; M623-Y671 HydrophobicContact CE-CE1 3.91Å; M623-Y671 HydrophobicContact CE-CE2 3.52Å; M623-Y671 WeakPolarHBondContact CE-OH 3.42Å; M623-F673 PolarHBondContact N-O 3.27Å; M623-I674 CarbonylContact O-C 3.59Å; M623-I674 WeakPolarHBondContact O-CA 3.32Å; M623-L675 PolarHBondContact O-N 3.47Å
624	V	98.4	Very high	96.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	129.1	174.6	-168.5	0	0	0	0	109.8	V622 A635 V638 K639 D650 V651 D652 L675 V677	V622-V624 HydrophobicContact CG1-CG2 4.22Å; V624-A635 HydrophobicContact CG1-CB 3.74Å; V624-V638 HydrophobicContact CG1-CB 4.42Å; V624-V638 HydrophobicContact CG1-CG1 4.36Å; V624-V638 HydrophobicContact CG2-CG1 3.98Å; V624-K639 HydrophobicContact CG2-CB 4.13Å; V624-D650 PolarHBondContact N-O 3.49Å; V624-V651 HydrophobicContact CB-CB 4.36Å; V624-V651 HydrophobicContact CB-CG2 4.21Å; V624-V651 WeakPolarHBondContact O-CA 3.29Å; V624-V651 WeakPolarHBondContact O-CG2 3.48Å; V624-D652 PolarHBondContact O-N 3.45Å; V624-L675 CarbonylContact C-O 3.57Å; V624-L675 WeakPolarHBondContact CA-O 3.06Å; V624-V677 HydrophobicContact CG1-CG1 4.28Å; V624-V677 HydrophobicContact CG1-CG2 4.05Å
625	V	97.8	Very high	96.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	108.6	-177.4	-172.8	0	0	0	0	110	M623 L659 K662 I674 L675 V676 V677	M623-V625 HydrophobicContact CG-CG2 3.78Å; V625-L659 HydrophobicContact CB-CD1 4.5Å; V625-L659 HydrophobicContact CG1-CD1 3.56Å; V625-K662 HydrophobicContact CG1-CB 3.61Å; V625-K662 HydrophobicContact CG1-CD 3.78Å; V625-K662 HydrophobicContact CG1-CG 4.35Å; V625-I674 HydrophobicContact CG2-CG2 3.89Å; V625-L675 PolarHBondContact N-O 2.97Å; V625-V676 WeakPolarHBondContact O-CA 3.35Å; V625-V677 PolarHBondContact O-N 3.13Å
626	P	97.4	Very high	96.2	Very high	4 Å²	4	31 Å²	31	3%	0.026	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	143.3	174.2	28.5	-31.9	0	0	0	111.7	G628 C631 E632 A635 D652 L653 V677	P626-G628 VanDerWaalsContact C-N 3.27Å; P626-G628 PolarHBondContact O-N 2.58Å; P626-C631 HydrophobicContact CB-CB 3.97Å; P626-E632 HydrophobicContact CG-CG 4.21Å; P626-A635 HydrophobicContact CB-CB 4.09Å; P626-A635 HydrophobicContact CG-CB 4.16Å; P626-D652 WeakPolarHBondContact CD-O 3.46Å; P626-L653 HydrophobicContact CG-CD2 3.82Å; P626-V677 CarbonylContact C-O 3.58Å; P626-V677 WeakPolarHBondContact CA-O 3.39Å; P626-V677 HydrophobicContact CB-CG2 4.21Å
627	V	94.8	Very high	96.3	Very high	82 Å²	82	35.3 Å²	35.3	50%	0.497	19%	0.193	S	C	.	.	S	Bend	trans	-68.5	-28.3	175.6	175.6	0	0	0	0	111.7	L659 V676 V677	V627-L659 HydrophobicContact CG1-CD2 4.42Å; V627-L659 HydrophobicContact CG2-CD2 4.13Å; V627-V676 HydrophobicContact CG2-CG1 3.75Å; V627-V677 PolarHBondContact N-O 3.07Å
628	G	90.3	Very high	96.3	Very high	23 Å²	23	35.3 Å²	35.3	24%	0.237	19%	0.193	C	C	.	.	S	Bend	trans	-167.1	177.9	176.4	0	0	0	0	0	113.3	P626 T630 C631	P626-G628 VanDerWaalsContact C-N 3.27Å; P626-G628 PolarHBondContact O-N 2.58Å; G628-T630 PolarHBondContact O-N 3.49Å; G628-T630 VanDerWaalsContact O-N 3.15Å; G628-C631 PolarHBondContact O-N 3.01Å
629	P	90.9	Very high	96.4	Very high	102 Å²	102	37.6 Å²	37.6	66%	0.662	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-59.2	-29.9	-171.4	-27.4	36.2	0	0	0	114.9	C631 E632	P629-C631 PolarHBondContact O-N 3.37Å; P629-E632 WeakPolarHBondContact O-CG 3.45Å; P629-E632 PolarHBondContact O-N 3.12Å
630	T	93.6	Very high	96.5	Very high	89 Å²	89	41.1 Å²	41.1	55%	0.546	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-68	-14.5	179.7	54.7	0	0	0	0	113.8	G628 E679 K682	G628-T630 PolarHBondContact O-N 3.49Å; G628-T630 VanDerWaalsContact O-N 3.15Å; T630-E679 WeakPolarHBondContact CB-OE1 3.4Å; T630-E679 PolarHBondContact OG1-OE1 2.83Å; T630-K682 PolarHBondContact O-NZ 2.74Å
631	C	94.9	Very high	96.6	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.014	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-105	0.3	-178.4	-61.3	0	0	0	0	113.4	P626 G628 P629 Y634 A635	P626-C631 HydrophobicContact CB-CB 3.97Å; G628-C631 PolarHBondContact O-N 3.01Å; P629-C631 PolarHBondContact O-N 3.37Å; C631-Y634 PolarHBondContact O-N 2.72Å; C631-A635 PolarHBondContact O-N 2.73Å
632	E	95.7	Very high	96.7	Very high	61 Å²	61	43.2 Å²	43.2	29%	0.285	23%	0.226	S	C	.	.	H	α-helix	trans	-64.6	-43.5	-174.3	-65.5	-178.2	173.5	0	0	112.7	P626 P629 Y634 A635 E636 L653	P626-E632 HydrophobicContact CG-CG 4.21Å; P629-E632 WeakPolarHBondContact O-CG 3.45Å; P629-E632 PolarHBondContact O-N 3.12Å; E632-Y634 PolarHBondContact O-N 2.96Å; E632-A635 WeakPolarHBondContact O-CB 3.49Å; E632-A635 PolarHBondContact O-N 3.33Å; E632-A635 VanDerWaalsContact O-N 3.12Å; E632-E636 PolarHBondContact O-N 3.23Å; E632-L653 HydrophobicContact CB-CD2 3.92Å; E632-L653 HydrophobicContact CG-CD2 3.81Å
633	E	97.2	Very high	96.6	Very high	163 Å²	163	48 Å²	48	76%	0.762	25%	0.249	S	C	*	.	H	α-helix	trans	-59.7	-37.1	175.3	-67.6	-179.1	171.7	0	0	112.1	K637	E633-K637 WeakPolarHBondContact O-CB 3.11Å; E633-K637 PolarHBondContact O-N 3.47Å
634	Y	98	Very high	96.6	Very high	12 Å²	12	53 Å²	53	5%	0.047	28%	0.276	C	S	.	.	H	α-helix	trans	-71.2	-39.6	176.4	-177.6	-114.2	0	0	0	111.5	C631 E632 E636 K637 V638 V677 E681 K682 N685 T686 V702	C631-Y634 PolarHBondContact O-N 2.72Å; E632-Y634 PolarHBondContact O-N 2.96Å; Y634-E636 PolarHBondContact O-N 2.67Å; Y634-K637 HydrophobicContact CD2-CD 4.36Å; Y634-K637 WeakPolarHBondContact O-CB 3.12Å; Y634-K637 PolarHBondContact O-N 3.4Å; Y634-V638 HydrophobicContact CD1-CG2 4.31Å; Y634-V638 HydrophobicContact CD2-CG2 4.42Å; Y634-V638 HydrophobicContact CE1-CG2 3.81Å; Y634-V638 HydrophobicContact CE2-CG2 3.93Å; Y634-V638 WeakPolarHBondContact O-CG2 3.27Å; Y634-V638 PolarHBondContact O-N 3.49Å; Y634-V677 HydrophobicContact CD1-CB 3.85Å; Y634-V677 HydrophobicContact CD1-CG1 4.1Å; Y634-V677 HydrophobicContact CD1-CG2 4.2Å; Y634-V677 HydrophobicContact CE1-CB 3.96Å; Y634-V677 HydrophobicContact CE1-CG1 3.78Å; Y634-E681 HydrophobicContact CE1-CB 4.33Å; Y634-K682 HydrophobicContact CD1-CB 3.87Å; Y634-K682 HydrophobicContact CD1-CG 4.38Å; Y634-K682 HydrophobicContact CD2-CG 4.29Å; Y634-K682 HydrophobicContact CE1-CB 4.42Å; Y634-K682 HydrophobicContact CG-CB 3.94Å; Y634-K682 HydrophobicContact CG-CG 3.93Å; Y634-N685 WeakPolarHBondContact OH-CA 3.47Å; Y634-T686 PolarHBondContact OH-N 3.12Å; Y634-T686 PolarHBondContact OH-O 2.67Å; Y634-V702 WeakPolarHBondContact OH-CG2 3.45Å
635	A	97.9	Very high	96.5	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-61.4	-43.9	175.7	0	0	0	0	0	112.2	V624 P626 C631 E632 V638 K639 V651 V677	V624-A635 HydrophobicContact CG1-CB 3.74Å; P626-A635 HydrophobicContact CB-CB 4.09Å; P626-A635 HydrophobicContact CG-CB 4.16Å; C631-A635 PolarHBondContact O-N 2.73Å; E632-A635 WeakPolarHBondContact O-CB 3.49Å; E632-A635 PolarHBondContact O-N 3.33Å; E632-A635 VanDerWaalsContact O-N 3.12Å; A635-V638 PolarHBondContact O-N 2.89Å; A635-K639 WeakPolarHBondContact O-CB 3.31Å; A635-K639 PolarHBondContact O-N 2.74Å; A635-V651 HydrophobicContact CB-CG2 3.7Å; A635-V677 HydrophobicContact CB-CG2 3.78Å
636	E	98.1	Very high	96.4	Very high	74 Å²	74	57.7 Å²	57.7	35%	0.346	32%	0.315	S	S	.	.	H	α-helix	trans	-63.4	-41.3	173.9	-79.4	-73.2	-171.1	0	0	112.1	E632 Y634 V638 K639 Q640 V651 L653	E632-E636 PolarHBondContact O-N 3.23Å; Y634-E636 PolarHBondContact O-N 2.67Å; E636-V638 PolarHBondContact O-N 3.25Å; E636-K639 PolarHBondContact O-N 2.98Å; E636-K639 IonicContact OE2-NZ 3.64Å; E636-Q640 WeakPolarHBondContact O-CB 3.38Å; E636-Q640 PolarHBondContact O-N 3.26Å; E636-V651 HydrophobicContact CG-CG1 4.35Å; E636-V651 WeakPolarHBondContact OE1-CG1 3.42Å; E636-L653 HydrophobicContact CG-CD1 4.19Å
637	K	98	Very high	96.3	Very high	99 Å²	99	57.7 Å²	57.7	43%	0.43	32%	0.315	S	S	.	.	H	α-helix	trans	-57.8	-49.9	173.8	-175	-166.7	176.7	-141.6	0	111.2	E633 Y634 K639 Q640 E641 N685	E633-K637 WeakPolarHBondContact O-CB 3.11Å; E633-K637 PolarHBondContact O-N 3.47Å; Y634-K637 HydrophobicContact CD2-CD 4.36Å; Y634-K637 WeakPolarHBondContact O-CB 3.12Å; Y634-K637 PolarHBondContact O-N 3.4Å; K637-K639 PolarHBondContact O-N 2.75Å; K637-Q640 PolarHBondContact O-N 2.92Å; K637-E641 WeakPolarHBondContact CE-OE1 3.32Å; K637-E641 IonicContact NZ-OE1 2.64Å; K637-E641 PolarHBondContact NZ-OE1 2.91Å; K637-E641 WeakPolarHBondContact O-CG 3.32Å; K637-E641 PolarHBondContact O-N 3.06Å; K637-N685 PolarHBondContact NZ-OD1 3.15Å
638	V	98.3	Very high	96.4	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-59.5	-47.2	177.9	171.8	0	0	0	0	110.5	V624 Y634 A635 E636 Q640 E641 F642 L675 V687 V702	V624-V638 HydrophobicContact CG1-CB 4.42Å; V624-V638 HydrophobicContact CG1-CG1 4.36Å; V624-V638 HydrophobicContact CG2-CG1 3.98Å; Y634-V638 HydrophobicContact CD1-CG2 4.31Å; Y634-V638 HydrophobicContact CD2-CG2 4.42Å; Y634-V638 HydrophobicContact CE1-CG2 3.81Å; Y634-V638 HydrophobicContact CE2-CG2 3.93Å; Y634-V638 WeakPolarHBondContact O-CG2 3.27Å; Y634-V638 PolarHBondContact O-N 3.49Å; A635-V638 PolarHBondContact O-N 2.89Å; E636-V638 PolarHBondContact O-N 3.25Å; V638-Q640 VanDerWaalsContact C-N 3.29Å; V638-Q640 PolarHBondContact O-N 2.92Å; V638-E641 PolarHBondContact O-N 3.17Å; V638-E641 VanDerWaalsContact O-N 3.13Å; V638-F642 HydrophobicContact CG1-CD2 3.86Å; V638-F642 HydrophobicContact CG1-CE2 3.85Å; V638-F642 WeakPolarHBondContact O-CD2 3.37Å; V638-F642 PolarHBondContact O-N 2.92Å; V638-L675 HydrophobicContact CG1-CD1 4.33Å; V638-V687 HydrophobicContact CG1-CG1 3.92Å; V638-V687 HydrophobicContact CG2-CG1 4.32Å; V638-V702 HydrophobicContact CG1-CG1 4.43Å; V638-V702 HydrophobicContact CG2-CG2 3.99Å
639	K	98.1	Very high	96.8	Very high	49 Å²	49	55.3 Å²	55.3	21%	0.213	29%	0.294	C	S	.	.	H	α-helix	trans	-57.4	-41.4	176.4	172.6	-101	-178.6	166.5	0	111.9	V624 A635 E636 K637 F642 H643 A649 V651	V624-K639 HydrophobicContact CG2-CB 4.13Å; A635-K639 WeakPolarHBondContact O-CB 3.31Å; A635-K639 PolarHBondContact O-N 2.74Å; E636-K639 PolarHBondContact O-N 2.98Å; E636-K639 IonicContact OE2-NZ 3.64Å; K637-K639 PolarHBondContact O-N 2.75Å; K639-F642 PolarHBondContact O-N 3.35Å; K639-H643 WeakPolarHBondContact O-CB 3.28Å; K639-H643 PolarHBondContact O-N 3.09Å; K639-A649 WeakPolarHBondContact CE-O 3.27Å; K639-A649 HydrophobicContact CG-CB 4.06Å; K639-A649 WeakPolarHBondContact CG-O 3.47Å; K639-V651 HydrophobicContact CB-CB 4.42Å
640	Q	98.1	Very high	97.1	Very high	80 Å²	80	53.2 Å²	53.2	37%	0.374	28%	0.277	S	S	.	.	H	α-helix	trans	-66.9	-38.1	176.7	-168.1	62.8	46.6	0	0	112.5	E636 K637 V638 H643 N644	E636-Q640 WeakPolarHBondContact O-CB 3.38Å; E636-Q640 PolarHBondContact O-N 3.26Å; K637-Q640 PolarHBondContact O-N 2.92Å; V638-Q640 VanDerWaalsContact C-N 3.29Å; V638-Q640 PolarHBondContact O-N 2.92Å; Q640-H643 PolarHBondContact O-N 3.13Å; Q640-N644 PolarHBondContact NE2-OD1 2.93Å; Q640-N644 WeakPolarHBondContact O-CB 3.46Å; Q640-N644 PolarHBondContact O-N 2.61Å; Q640-N644 PolarHBondContact O-ND2 2.93Å; Q640-N644 PolarHBondContact O-OD1 2.93Å
641	E	98.1	Very high	97.3	Very high	51 Å²	51	50.4 Å²	50.4	24%	0.238	26%	0.26	C	S	.	.	H	α-helix	trans	-62.4	-43.4	175.2	-72.1	177.7	-165.8	0	0	111.7	K637 V638 S645 V702 I706	K637-E641 WeakPolarHBondContact CE-OE1 3.32Å; K637-E641 IonicContact NZ-OE1 2.64Å; K637-E641 PolarHBondContact NZ-OE1 2.91Å; K637-E641 WeakPolarHBondContact O-CG 3.32Å; K637-E641 PolarHBondContact O-N 3.06Å; V638-E641 PolarHBondContact O-N 3.17Å; V638-E641 VanDerWaalsContact O-N 3.13Å; E641-S645 WeakPolarHBondContact O-CB 3.27Å; E641-S645 PolarHBondContact O-N 2.87Å; E641-S645 PolarHBondContact O-OG 2.57Å; E641-V702 HydrophobicContact CB-CG1 4.44Å; E641-V702 WeakPolarHBondContact OE2-CG1 2.98Å; E641-I706 HydrophobicContact CB-CD1 4.09Å
642	F	98.1	Very high	97.4	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-65	-42.8	173	-85.4	-84.5	0	0	0	112.4	V622 V638 K639 S645 G646 F647 A649 L675 V702 C705 I706 L709	V622-F642 HydrophobicContact CG1-CD1 4.47Å; V622-F642 HydrophobicContact CG1-CD2 4.42Å; V622-F642 HydrophobicContact CG1-CG 4.35Å; V622-F642 HydrophobicContact CG2-CD1 3.85Å; V622-F642 HydrophobicContact CG2-CE1 4.03Å; V622-F642 HydrophobicContact CG2-CG 4.44Å; V638-F642 HydrophobicContact CG1-CD2 3.86Å; V638-F642 HydrophobicContact CG1-CE2 3.85Å; V638-F642 WeakPolarHBondContact O-CD2 3.37Å; V638-F642 PolarHBondContact O-N 2.92Å; K639-F642 PolarHBondContact O-N 3.35Å; F642-S645 CarbonylContact O-C 3.54Å; F642-S645 WeakPolarHBondContact O-CB 3.07Å; F642-S645 PolarHBondContact O-N 3.24Å; F642-S645 VanDerWaalsContact O-N 3.12Å; F642-G646 PolarHBondContact O-N 3.14Å; F642-F647 HydrophobicContact CB-CB 4.29Å; F642-F647 HydrophobicContact CD1-CB 4.33Å; F642-F647 AromaticContact CD1-CD2 3.97Å; F642-F647 HydrophobicContact CD1-CD2 3.97Å; F642-F647 HydrophobicContact CD1-CG 4.16Å; F642-F647 WeakPolarHBondContact O-CB 3.36Å; F642-F647 PolarHBondContact O-N 2.65Å; F642-F647 VanDerWaalsContact O-N 3.08Å; F642-A649 HydrophobicContact CB-CB 3.67Å; F642-L675 HydrophobicContact CD2-CD1 4.1Å; F642-L675 HydrophobicContact CE1-CD1 4.47Å; F642-L675 HydrophobicContact CE2-CD1 3.33Å; F642-L675 HydrophobicContact CZ-CD1 3.56Å; F642-V702 HydrophobicContact CE2-CG1 4.1Å; F642-C705 HydrophobicContact CZ-CB 4.17Å; F642-I706 HydrophobicContact CD1-CG1 3.79Å; F642-I706 HydrophobicContact CD2-CD1 4.4Å; F642-I706 HydrophobicContact CD2-CG1 4.19Å; F642-I706 HydrophobicContact CE1-CB 4.43Å; F642-I706 HydrophobicContact CE1-CG1 3.52Å; F642-I706 HydrophobicContact CE2-CD1 4.43Å; F642-I706 HydrophobicContact CE2-CG1 3.96Å; F642-I706 HydrophobicContact CG-CD1 4.48Å; F642-I706 HydrophobicContact CG-CG1 4.11Å; F642-I706 HydrophobicContact CZ-CG1 3.62Å; F642-L709 HydrophobicContact CE1-CD1 3.87Å
643	H	96.6	Very high	97.3	Very high	101 Å²	101	51.1 Å²	51.1	47%	0.468	27%	0.265	S	S	.	.	H	α-helix	trans	-61.7	-46.4	178.2	-174.8	67.2	0	0	0	112.2	K639 Q640 S645 G646	K639-H643 WeakPolarHBondContact O-CB 3.28Å; K639-H643 PolarHBondContact O-N 3.09Å; Q640-H643 PolarHBondContact O-N 3.13Å; H643-S645 PolarHBondContact O-N 2.97Å; H643-G646 PolarHBondContact O-N 2.59Å
644	N	97.5	Very high	97.1	Very high	120 Å²	120	46.4 Å²	46.4	64%	0.642	25%	0.245	S	C	*	.	H	α-helix	trans	-61.9	-24.7	176.1	-69.4	-12.3	0	0	0	112.5	Q640 G646	Q640-N644 PolarHBondContact NE2-OD1 2.93Å; Q640-N644 WeakPolarHBondContact O-CB 3.46Å; Q640-N644 PolarHBondContact O-N 2.61Å; Q640-N644 PolarHBondContact O-ND2 2.93Å; Q640-N644 PolarHBondContact O-OD1 2.93Å; N644-G646 VanDerWaalsContact C-N 3.28Å
645	S	97	Very high	96.7	Very high	58 Å²	58	51.8 Å²	51.8	41%	0.406	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	4.7	175.4	-54.7	0	0	0	0	113.3	E641 F642 H643 I706	E641-S645 WeakPolarHBondContact O-CB 3.27Å; E641-S645 PolarHBondContact O-N 2.87Å; E641-S645 PolarHBondContact O-OG 2.57Å; F642-S645 CarbonylContact O-C 3.54Å; F642-S645 WeakPolarHBondContact O-CB 3.07Å; F642-S645 PolarHBondContact O-N 3.24Å; F642-S645 VanDerWaalsContact O-N 3.12Å; H643-S645 PolarHBondContact O-N 2.97Å; S645-I706 WeakPolarHBondContact OG-CG2 3.38Å
646	G	95.1	Very high	96.3	Very high	42 Å²	42	56.1 Å²	56.1	43%	0.433	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.6	24.6	176.1	0	0	0	0	0	114.8	F642 H643 N644 K713	F642-G646 PolarHBondContact O-N 3.14Å; H643-G646 PolarHBondContact O-N 2.59Å; N644-G646 VanDerWaalsContact C-N 3.28Å; G646-K713 PolarHBondContact O-NZ 3.44Å
647	F	97	Very high	95.9	Very high	4 Å²	4	53.3 Å²	53.3	2%	0.018	30%	0.3	C	S	.	.			trans	-100.3	149.3	172.6	-67.1	-87.3	0	0	0	112.8	Q621 F642 A649 I706 L709 K713	Q621-F647 HydrophobicContact CB-CD1 4.31Å; Q621-F647 VanDerWaalsContact OE1-CA 3.28Å; F642-F647 HydrophobicContact CB-CB 4.29Å; F642-F647 HydrophobicContact CD1-CB 4.33Å; F642-F647 AromaticContact CD1-CD2 3.97Å; F642-F647 HydrophobicContact CD1-CD2 3.97Å; F642-F647 HydrophobicContact CD1-CG 4.16Å; F642-F647 WeakPolarHBondContact O-CB 3.36Å; F642-F647 PolarHBondContact O-N 2.65Å; F642-F647 VanDerWaalsContact O-N 3.08Å; F647-A649 PolarHBondContact O-N 2.98Å; F647-I706 HydrophobicContact CE2-CG2 4.4Å; F647-L709 HydrophobicContact CE1-CB 3.74Å; F647-L709 HydrophobicContact CZ-CB 3.63Å; F647-K713 HydrophobicContact CE1-CB 4.48Å; F647-K713 HydrophobicContact CE1-CD 4.02Å; F647-K713 HydrophobicContact CZ-CD 4.49Å
648	M	96.9	Very high	95.7	Very high	48 Å²	48	53.2 Å²	53.2	24%	0.236	31%	0.308	C	S	.	.			trans	-76.8	102.5	162.6	-65.1	-63.4	-66.5	0	0	108.5	F352 P619 Q621 V622	F352-M648 HydrophobicContact CD1-CG 4.15Å; F352-M648 HydrophobicContact CD2-CG 3.69Å; F352-M648 HydrophobicContact CD2-SD 3.75Å; F352-M648 HydrophobicContact CE1-CG 4.1Å; F352-M648 HydrophobicContact CE2-CG 3.62Å; F352-M648 HydrophobicContact CE2-SD 4.15Å; F352-M648 HydrophobicContact CG-CG 3.95Å; F352-M648 HydrophobicContact CG-SD 4.16Å; F352-M648 HydrophobicContact CZ-CG 3.84Å; P619-M648 WeakPolarHBondContact O-CB 3.18Å; Q621-M648 HydrophobicContact CB-CB 4.46Å; Q621-M648 WeakPolarHBondContact CB-O 3.2Å; Q621-M648 HydrophobicContact CG-CB 4.15Å; Q621-M648 PolarHBondContact N-O 2.87Å; V622-M648 PolarHBondContact N-O 3.21Å
649	A	97.3	Very high	95.5	Very high	7 Å²	7	55.6 Å²	55.6	6%	0.058	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	127.9	-177.6	0	0	0	0	0	111	V622 K639 F642 F647	V622-A649 HydrophobicContact CB-CB 4.1Å; V622-A649 HydrophobicContact CG1-CB 4.42Å; V622-A649 VanDerWaalsContact O-CA 3.31Å; V622-A649 WeakPolarHBondContact O-CA 3.44Å; K639-A649 WeakPolarHBondContact CE-O 3.27Å; K639-A649 HydrophobicContact CG-CB 4.06Å; K639-A649 WeakPolarHBondContact CG-O 3.47Å; F642-A649 HydrophobicContact CB-CB 3.67Å; F647-A649 PolarHBondContact O-N 2.98Å
650	D	97.5	Very high	95.3	Very high	57 Å²	57	59.1 Å²	59.1	31%	0.305	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	164.2	176.9	-70.6	-52.4	0	0	0	110.5	V622 M623 V624 Y671	V622-D650 PolarHBondContact O-N 3.21Å; M623-D650 CarbonylContact C-O 3.6Å; M623-D650 WeakPolarHBondContact CA-O 3.41Å; M623-D650 HydrophobicContact CE-CB 3.78Å; M623-D650 HydrophobicContact SD-CB 4.33Å; V624-D650 PolarHBondContact N-O 3.49Å; D650-Y671 HydrophobicContact CB-CE1 4.06Å; D650-Y671 PolarHBondContact OD2-OH 3.15Å
651	V	97.8	Very high	95.1	Very high	31 Å²	31	60 Å²	60	19%	0.188	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	135	177.7	62.2	0	0	0	0	110.3	V624 A635 E636 K639 L653	V624-V651 HydrophobicContact CB-CB 4.36Å; V624-V651 HydrophobicContact CB-CG2 4.21Å; V624-V651 WeakPolarHBondContact O-CA 3.29Å; V624-V651 WeakPolarHBondContact O-CG2 3.48Å; A635-V651 HydrophobicContact CB-CG2 3.7Å; E636-V651 HydrophobicContact CG-CG1 4.35Å; E636-V651 WeakPolarHBondContact OE1-CG1 3.42Å; K639-V651 HydrophobicContact CB-CB 4.42Å; V651-L653 HydrophobicContact CG1-CD1 4.41Å; V651-L653 HydrophobicContact CG1-CG 4.19Å; V651-L653 HydrophobicContact CG2-CD2 3.55Å; V651-L653 HydrophobicContact CG2-CG 3.96Å
652	D	96.8	Very high	95	Very high	26 Å²	26	58.2 Å²	58.2	14%	0.139	34%	0.336	C	S	.	.			trans	-100.5	96.3	177.6	-173.2	-23.1	0	0	0	110.9	M623 V624 P626 D654 K662	M623-D652 HydrophobicContact SD-CB 3.89Å; V624-D652 PolarHBondContact O-N 3.45Å; P626-D652 WeakPolarHBondContact CD-O 3.46Å; D652-D654 WeakPolarHBondContact OD1-CB 3.41Å; D652-D654 PolarHBondContact OD1-N 2.74Å; D652-K662 HydrophobicContact CB-CB 4.5Å; D652-K662 HydrophobicContact CB-CD 4.16Å; D652-K662 PolarHBondContact O-NZ 2.93Å; D652-K662 WeakPolarHBondContact OD1-CD 3.24Å; D652-K662 VanDerWaalsContact OD1-CE 3.27Å; D652-K662 WeakPolarHBondContact OD1-CE 3.34Å; D652-K662 IonicContact OD1-NZ 3.49Å; D652-K662 WeakPolarHBondContact OD2-CB 3.21Å; D652-K662 WeakPolarHBondContact OD2-CG 3.47Å
653	L	94.8	Very high	94.9	Very high	52 Å²	52	58.4 Å²	58.4	27%	0.272	34%	0.337	S	S	.	.			trans	-96.2	11	177.7	-54.8	-176.7	0	0	0	113.3	P626 E632 E636 V651 P655	P626-L653 HydrophobicContact CG-CD2 3.82Å; E632-L653 HydrophobicContact CB-CD2 3.92Å; E632-L653 HydrophobicContact CG-CD2 3.81Å; E636-L653 HydrophobicContact CG-CD1 4.19Å; V651-L653 HydrophobicContact CG1-CD1 4.41Å; V651-L653 HydrophobicContact CG1-CG 4.19Å; V651-L653 HydrophobicContact CG2-CD2 3.55Å; V651-L653 HydrophobicContact CG2-CG 3.96Å; L653-P655 WeakPolarHBondContact O-CD 3.41Å; L653-P655 VanDerWaalsContact O-N 3.1Å
654	D	92.8	Very high	94.8	Very high	64 Å²	64	61.5 Å²	61.5	34%	0.342	35%	0.345	S	S	.	.			trans	-65.2	112.8	-174.9	179.3	2	0	0	0	111.3	D652 S656 C657 K662	D652-D654 WeakPolarHBondContact OD1-CB 3.41Å; D652-D654 PolarHBondContact OD1-N 2.74Å; D654-S656 PolarHBondContact O-N 2.88Å; D654-S656 VanDerWaalsContact OD1-CB 3.27Å; D654-S656 WeakPolarHBondContact OD1-CB 3.48Å; D654-S656 PolarHBondContact OD1-N 2.91Å; D654-S656 PolarHBondContact OD1-OG 2.82Å; D654-S656 PolarHBondContact OD2-OG 2.76Å; D654-C657 HydrophobicContact CB-CB 4.48Å; D654-C657 PolarHBondContact O-N 3.47Å; D654-C657 PolarHBondContact OD2-SG 2.91Å; D654-K662 WeakPolarHBondContact O-CE 3.4Å; D654-K662 PolarHBondContact O-NZ 2.86Å
655	P	88.3	Confident	94.7	Very high	124 Å²	124	58.8 Å²	58.8	81%	0.805	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-14.3	-177.6	31	-35.7	0	0	0	112.6	L653 C657	L653-P655 WeakPolarHBondContact O-CD 3.41Å; L653-P655 VanDerWaalsContact O-N 3.1Å; P655-C657 VanDerWaalsContact C-N 3.31Å
656	S	89.9	Confident	94.7	Very high	92 Å²	92	56.2 Å²	56.2	64%	0.643	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-9.1	179.3	80.1	0	0	0	0	113.6	D654	D654-S656 PolarHBondContact O-N 2.88Å; D654-S656 VanDerWaalsContact OD1-CB 3.27Å; D654-S656 WeakPolarHBondContact OD1-CB 3.48Å; D654-S656 PolarHBondContact OD1-N 2.91Å; D654-S656 PolarHBondContact OD1-OG 2.82Å; D654-S656 PolarHBondContact OD2-OG 2.76Å
657	C	90.4	Very high	94.6	Very high	14 Å²	14	56.3 Å²	56.3	10%	0.095	30%	0.301	C	S	.	.	S	Bend	trans	-108.9	131.8	-177.1	-74	0	0	0	0	112.1	D654 P655 K661 K662	D654-C657 HydrophobicContact CB-CB 4.48Å; D654-C657 PolarHBondContact O-N 3.47Å; D654-C657 PolarHBondContact OD2-SG 2.91Å; P655-C657 VanDerWaalsContact C-N 3.31Å; C657-K661 HydrophobicContact CB-CB 4.42Å; C657-K661 HydrophobicContact CB-CD 4.12Å; C657-K661 HydrophobicContact CB-CG 4.4Å; C657-K661 VanDerWaalsContact SG-CE 3.57Å; C657-K661 PolarHBondContact SG-NZ 3.18Å; C657-K662 HydrophobicContact CB-CG 3.73Å
658	T	93.6	Very high	94.4	Very high	97 Å²	97	61.6 Å²	61.6	60%	0.595	33%	0.329	S	S	*	.			trans	-66.9	155	170.4	64.3	0	0	0	0	110.6	N660 K661 K662	T658-N660 VanDerWaalsContact C-N 3.28Å; T658-N660 PolarHBondContact O-N 3.12Å; T658-K661 WeakPolarHBondContact O-CA 3.42Å; T658-K661 WeakPolarHBondContact O-CB 3.15Å; T658-K661 PolarHBondContact O-N 3.43Å; T658-K661 WeakPolarHBondContact OG1-CB 3.41Å; T658-K661 PolarHBondContact OG1-N 2.81Å; T658-K662 PolarHBondContact O-N 3.39Å
659	L	93.4	Very high	94.3	Very high	51 Å²	51	62 Å²	62	27%	0.267	34%	0.34	S	S	.	.	H	α-helix	trans	-48.7	-47.8	177.8	176.6	62	0	0	0	112.6	V625 V627 K661 K662 I663 V676	V625-L659 HydrophobicContact CB-CD1 4.5Å; V625-L659 HydrophobicContact CG1-CD1 3.56Å; V627-L659 HydrophobicContact CG1-CD2 4.42Å; V627-L659 HydrophobicContact CG2-CD2 4.13Å; L659-K661 VanDerWaalsContact C-N 3.29Å; L659-K661 PolarHBondContact O-N 2.96Å; L659-K662 PolarHBondContact O-N 2.67Å; L659-I663 HydrophobicContact CD1-CD1 3.99Å; L659-I663 HydrophobicContact CD1-CG1 4.37Å; L659-I663 HydrophobicContact CG-CD1 3.93Å; L659-I663 WeakPolarHBondContact O-CG1 3.36Å; L659-I663 PolarHBondContact O-N 3.48Å; L659-V676 HydrophobicContact CD1-CG1 4.14Å
660	N	93.8	Very high	94.2	Very high	122 Å²	122	63.5 Å²	63.5	65%	0.652	35%	0.346	S	S	*	.	H	α-helix	trans	-64	-33.9	178.6	-69.9	-25.7	0	0	0	112.7	T658 R664	T658-N660 VanDerWaalsContact C-N 3.28Å; T658-N660 PolarHBondContact O-N 3.12Å; N660-R664 VanDerWaalsContact O-CB 3.32Å; N660-R664 WeakPolarHBondContact O-CB 3.34Å; N660-R664 PolarHBondContact O-N 2.95Å
661	K	95.1	Very high	94.1	Very high	99 Å²	99	61.7 Å²	61.7	43%	0.43	34%	0.335	S	S	.	.	H	α-helix	trans	-69.8	-42.5	175.8	-173.1	179.9	173.8	-157.9	0	110.9	C657 T658 L659 R664 N665	C657-K661 HydrophobicContact CB-CB 4.42Å; C657-K661 HydrophobicContact CB-CD 4.12Å; C657-K661 HydrophobicContact CB-CG 4.4Å; C657-K661 VanDerWaalsContact SG-CE 3.57Å; C657-K661 PolarHBondContact SG-NZ 3.18Å; T658-K661 WeakPolarHBondContact O-CA 3.42Å; T658-K661 WeakPolarHBondContact O-CB 3.15Å; T658-K661 PolarHBondContact O-N 3.43Å; T658-K661 WeakPolarHBondContact OG1-CB 3.41Å; T658-K661 PolarHBondContact OG1-N 2.81Å; L659-K661 VanDerWaalsContact C-N 3.29Å; L659-K661 PolarHBondContact O-N 2.96Å; K661-R664 PolarHBondContact O-N 2.82Å; K661-N665 WeakPolarHBondContact O-CB 3.41Å; K661-N665 PolarHBondContact O-N 2.83Å; K661-N665 PolarHBondContact O-OD1 3.33Å
662	K	95.8	Very high	94.1	Very high	13 Å²	13	60.2 Å²	60.2	6%	0.057	33%	0.326	C	S	.	.	H	α-helix	trans	-59.2	-48.5	174.6	-64.4	-172.1	172	-170.1	0	111.8	V625 D652 D654 C657 T658 L659 R664 N665 A666	V625-K662 HydrophobicContact CG1-CB 3.61Å; V625-K662 HydrophobicContact CG1-CD 3.78Å; V625-K662 HydrophobicContact CG1-CG 4.35Å; D652-K662 HydrophobicContact CB-CB 4.5Å; D652-K662 HydrophobicContact CB-CD 4.16Å; D652-K662 PolarHBondContact O-NZ 2.93Å; D652-K662 WeakPolarHBondContact OD1-CD 3.24Å; D652-K662 VanDerWaalsContact OD1-CE 3.27Å; D652-K662 WeakPolarHBondContact OD1-CE 3.34Å; D652-K662 IonicContact OD1-NZ 3.49Å; D652-K662 WeakPolarHBondContact OD2-CB 3.21Å; D652-K662 WeakPolarHBondContact OD2-CG 3.47Å; D654-K662 WeakPolarHBondContact O-CE 3.4Å; D654-K662 PolarHBondContact O-NZ 2.86Å; C657-K662 HydrophobicContact CB-CG 3.73Å; T658-K662 PolarHBondContact O-N 3.39Å; L659-K662 PolarHBondContact O-N 2.67Å; K662-R664 PolarHBondContact O-N 2.66Å; K662-N665 WeakPolarHBondContact O-CB 3.49Å; K662-N665 PolarHBondContact O-N 2.87Å; K662-A666 PolarHBondContact O-N 3.41Å
663	I	95.5	Very high	94.2	Very high	5 Å²	5	59 Å²	59	3%	0.026	32%	0.319	C	S	.	.	H	α-helix	trans	-57.7	-49.4	175.4	-66.5	164.6	0	0	0	110.2	L659 N665 A666 Q667 I674 V676	L659-I663 HydrophobicContact CD1-CD1 3.99Å; L659-I663 HydrophobicContact CD1-CG1 4.37Å; L659-I663 HydrophobicContact CG-CD1 3.93Å; L659-I663 WeakPolarHBondContact O-CG1 3.36Å; L659-I663 PolarHBondContact O-N 3.48Å; I663-N665 VanDerWaalsContact C-N 3.32Å; I663-N665 PolarHBondContact O-N 2.99Å; I663-A666 WeakPolarHBondContact O-CB 3.44Å; I663-A666 PolarHBondContact O-N 2.95Å; I663-Q667 WeakPolarHBondContact O-CG 3.45Å; I663-Q667 PolarHBondContact O-N 3.32Å; I663-I674 HydrophobicContact CG1-CG2 4.42Å; I663-I674 HydrophobicContact CG2-CD1 4.36Å; I663-V676 HydrophobicContact CD1-CG2 3.98Å; I663-V676 HydrophobicContact CG1-CG2 4.27Å
664	R	95.3	Very high	94.4	Very high	166 Å²	166	56.5 Å²	56.5	63%	0.626	31%	0.306	S	S	*	.	H	α-helix	trans	-60	-41	178.1	-178.1	176.7	178.2	170.2	0.1	112.5	N660 K661 K662 A666 Q667 L668	N660-R664 VanDerWaalsContact O-CB 3.32Å; N660-R664 WeakPolarHBondContact O-CB 3.34Å; N660-R664 PolarHBondContact O-N 2.95Å; K661-R664 PolarHBondContact O-N 2.82Å; K662-R664 PolarHBondContact O-N 2.66Å; R664-A666 VanDerWaalsContact C-N 3.34Å; R664-Q667 PolarHBondContact O-N 3.14Å; R664-L668 HydrophobicContact CG-CD1 4.18Å; R664-L668 HydrophobicContact CG-CG 4.46Å; R664-L668 WeakPolarHBondContact O-CG 3.43Å; R664-L668 PolarHBondContact O-N 2.85Å
665	N	94.9	Very high	94.6	Very high	63 Å²	63	53.5 Å²	53.5	34%	0.337	29%	0.29	S	S	.	.	H	α-helix	trans	-62.1	-43.6	177.1	-70.9	-11	0	0	0	110.8	K661 K662 I663 Q667 L668 A669	K661-N665 WeakPolarHBondContact O-CB 3.41Å; K661-N665 PolarHBondContact O-N 2.83Å; K661-N665 PolarHBondContact O-OD1 3.33Å; K662-N665 WeakPolarHBondContact O-CB 3.49Å; K662-N665 PolarHBondContact O-N 2.87Å; I663-N665 VanDerWaalsContact C-N 3.32Å; I663-N665 PolarHBondContact O-N 2.99Å; N665-Q667 VanDerWaalsContact C-N 3.35Å; N665-Q667 PolarHBondContact O-N 3.34Å; N665-L668 PolarHBondContact O-N 3.43Å; N665-A669 VanDerWaalsContact O-CB 3.31Å; N665-A669 WeakPolarHBondContact O-CB 3.45Å; N665-A669 PolarHBondContact O-N 3.37Å
666	A	96	Very high	95.1	Very high	3 Å²	3	48 Å²	48	3%	0.025	25%	0.254	C	S	.	.	H	α-helix	trans	-62.7	-39.7	175.9	0	0	0	0	0	112.4	M623 K662 I663 R664 A669 Q670 Y671 I674	M623-A666 HydrophobicContact CB-CB 4.04Å; M623-A666 HydrophobicContact CG-CB 3.67Å; K662-A666 PolarHBondContact O-N 3.41Å; I663-A666 WeakPolarHBondContact O-CB 3.44Å; I663-A666 PolarHBondContact O-N 2.95Å; R664-A666 VanDerWaalsContact C-N 3.34Å; A666-A669 CarbonylContact O-C 3.59Å; A666-A669 PolarHBondContact O-N 3.05Å; A666-Q670 PolarHBondContact O-N 2.7Å; A666-Q670 VanDerWaalsContact O-N 3.15Å; A666-Y671 HydrophobicContact CB-CD2 4.25Å; A666-Y671 WeakPolarHBondContact O-CD2 3.25Å; A666-Y671 PolarHBondContact O-N 2.89Å; A666-Y671 VanDerWaalsContact O-N 3.13Å; A666-I674 HydrophobicContact CB-CD1 3.73Å; A666-I674 HydrophobicContact CB-CG1 3.87Å; A666-I674 HydrophobicContact CB-CG2 4.48Å
667	Q	94.7	Very high	95.4	Very high	45 Å²	45	43.6 Å²	43.6	21%	0.21	22%	0.223	C	C	.	.	H	α-helix	trans	-64.1	-44.1	174	-65.8	-177.6	-83.8	0	0	112.1	I663 R664 N665 A669 Q670 I674 R692	I663-Q667 WeakPolarHBondContact O-CG 3.45Å; I663-Q667 PolarHBondContact O-N 3.32Å; R664-Q667 PolarHBondContact O-N 3.14Å; N665-Q667 VanDerWaalsContact C-N 3.35Å; N665-Q667 PolarHBondContact O-N 3.34Å; Q667-A669 VanDerWaalsContact C-N 3.32Å; Q667-A669 PolarHBondContact O-N 3Å; Q667-Q670 WeakPolarHBondContact O-CA 3.4Å; Q667-Q670 PolarHBondContact O-N 3.48Å; Q667-Q670 PolarHBondContact O-NE2 3.39Å; Q667-I674 HydrophobicContact CB-CD1 4.48Å; Q667-I674 HydrophobicContact CG-CD1 3.52Å; Q667-R692 WeakPolarHBondContact CG-O 3.28Å; Q667-R692 PolarHBondContact NE2-O 2.95Å
668	L	92.8	Very high	95.7	Very high	114 Å²	114	43.1 Å²	43.1	60%	0.597	22%	0.221	S	C	*	.	H	α-helix	trans	-64.6	-38.7	177.4	-71.7	173.5	0	0	0	111.5	R664 N665 Q670	R664-L668 HydrophobicContact CG-CD1 4.18Å; R664-L668 HydrophobicContact CG-CG 4.46Å; R664-L668 WeakPolarHBondContact O-CG 3.43Å; R664-L668 PolarHBondContact O-N 2.85Å; N665-L668 PolarHBondContact O-N 3.43Å; L668-Q670 PolarHBondContact O-N 2.91Å; L668-Q670 PolarHBondContact O-NE2 2.89Å
669	A	93.3	Very high	95.8	Very high	56 Å²	56	43 Å²	43	46%	0.463	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	1.8	172.7	0	0	0	0	0	113.9	N665 A666 Q667 Y671	N665-A669 VanDerWaalsContact O-CB 3.31Å; N665-A669 WeakPolarHBondContact O-CB 3.45Å; N665-A669 PolarHBondContact O-N 3.37Å; A666-A669 CarbonylContact O-C 3.59Å; A666-A669 PolarHBondContact O-N 3.05Å; Q667-A669 VanDerWaalsContact C-N 3.32Å; Q667-A669 PolarHBondContact O-N 3Å; A669-Y671 HydrophobicContact CB-CD2 3.88Å; A669-Y671 HydrophobicContact CB-CE2 3.77Å; A669-Y671 PolarHBondContact O-N 3.46Å
670	Q	94.9	Very high	95.9	Very high	40 Å²	40	46.8 Å²	46.8	19%	0.187	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	32.1	173.6	-56.2	-53.9	-47	0	0	115.4	A666 Q667 L668 N672 R692	A666-Q670 PolarHBondContact O-N 2.7Å; A666-Q670 VanDerWaalsContact O-N 3.15Å; Q667-Q670 WeakPolarHBondContact O-CA 3.4Å; Q667-Q670 PolarHBondContact O-N 3.48Å; Q667-Q670 PolarHBondContact O-NE2 3.39Å; L668-Q670 PolarHBondContact O-N 2.91Å; L668-Q670 PolarHBondContact O-NE2 2.89Å; Q670-N672 PolarHBondContact O-N 2.86Å; Q670-R692 PolarHBondContact O-NH1 2.88Å; Q670-R692 VanDerWaalsContact O-NH1 3.07Å
671	Y	97.3	Very high	96	Very high	19 Å²	19	42.1 Å²	42.1	8%	0.075	20%	0.203	C	C	.	.			trans	-64.2	129.4	172.2	-77.3	-96.5	0	0	0	111.2	G620 M623 D650 A666 A669 F673 R692	G620-Y671 CarbonylContact O-C 3.59Å; G620-Y671 WeakPolarHBondContact O-CA 3.34Å; M623-Y671 HydrophobicContact CB-CD1 3.66Å; M623-Y671 HydrophobicContact CB-CD2 4.18Å; M623-Y671 HydrophobicContact CB-CE1 4.09Å; M623-Y671 HydrophobicContact CB-CG 3.7Å; M623-Y671 HydrophobicContact CE-CD2 4.18Å; M623-Y671 HydrophobicContact CE-CE1 3.91Å; M623-Y671 HydrophobicContact CE-CE2 3.52Å; M623-Y671 WeakPolarHBondContact CE-OH 3.42Å; D650-Y671 HydrophobicContact CB-CE1 4.06Å; D650-Y671 PolarHBondContact OD2-OH 3.15Å; A666-Y671 HydrophobicContact CB-CD2 4.25Å; A666-Y671 WeakPolarHBondContact O-CD2 3.25Å; A666-Y671 PolarHBondContact O-N 2.89Å; A666-Y671 VanDerWaalsContact O-N 3.13Å; A669-Y671 HydrophobicContact CB-CD2 3.88Å; A669-Y671 HydrophobicContact CB-CE2 3.77Å; A669-Y671 PolarHBondContact O-N 3.46Å; Y671-F673 PolarHBondContact O-N 2.84Å; Y671-R692 WeakPolarHBondContact O-CB 3.39Å
672	N	97.6	Very high	96.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	-57.5	-50.7	-179	-63.4	82.9	0	0	0	111.5	W613 L615 S618 G620 Q621 Q670 R692 E721	W613-N672 PolarHBondContact O-ND2 3.33Å; L615-N672 VanDerWaalsContact CA-ND2 3.34Å; L615-N672 WeakPolarHBondContact CA-ND2 3.47Å; L615-N672 HydrophobicContact CD1-CB 3.94Å; L615-N672 PolarHBondContact N-ND2 2.78Å; S618-N672 WeakPolarHBondContact CB-OD1 3.32Å; S618-N672 PolarHBondContact OG-OD1 2.85Å; G620-N672 PolarHBondContact O-N 3.43Å; G620-N672 PolarHBondContact O-OD1 2.92Å; G620-N672 VanDerWaalsContact O-OD1 3.09Å; Q621-N672 WeakPolarHBondContact O-CB 3.46Å; Q670-N672 PolarHBondContact O-N 2.86Å; N672-R692 PolarHBondContact ND2-NH2 3.15Å; N672-R692 PolarHBondContact O-N 2.89Å; N672-R692 VanDerWaalsContact O-N 3.07Å; N672-E721 HydrophobicContact CB-CG 4.5Å; N672-E721 PolarHBondContact ND2-OE1 3.26Å
673	F	98.1	Very high	96.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	136	-178.4	-63.4	-85	0	0	0	111.4	L615 Q621 V622 M623 Y671 V689 R690 T691 L709 E721 F724	L615-F673 HydrophobicContact CD1-CD2 4.04Å; L615-F673 HydrophobicContact CD1-CE2 3.95Å; L615-F673 HydrophobicContact CD2-CE2 4.08Å; L615-F673 HydrophobicContact CG-CE2 4.49Å; Q621-F673 PolarHBondContact O-N 3.08Å; V622-F673 CarbonylContact C-O 3.52Å; V622-F673 WeakPolarHBondContact CA-O 3.13Å; M623-F673 PolarHBondContact N-O 3.27Å; Y671-F673 PolarHBondContact O-N 2.84Å; F673-V689 HydrophobicContact CD1-CG1 3.84Å; F673-R690 CarbonylContact C-O 3.57Å; F673-R690 WeakPolarHBondContact CA-O 3.26Å; F673-T691 HydrophobicContact CE1-CG2 4.32Å; F673-L709 HydrophobicContact CD1-CD2 4.32Å; F673-L709 HydrophobicContact CD2-CD1 3.91Å; F673-L709 HydrophobicContact CD2-CD2 3.66Å; F673-L709 HydrophobicContact CD2-CG 4.48Å; F673-L709 HydrophobicContact CE1-CD2 4.04Å; F673-L709 HydrophobicContact CE2-CD1 4.41Å; F673-L709 HydrophobicContact CE2-CD2 3.35Å; F673-L709 HydrophobicContact CG-CD1 4.26Å; F673-L709 HydrophobicContact CG-CD2 4.15Å; F673-L709 HydrophobicContact CZ-CD2 3.55Å; F673-E721 HydrophobicContact CE2-CG 4.46Å; F673-E721 HydrophobicContact CZ-CG 4.21Å; F673-F724 HydrophobicContact CD1-CD2 4.39Å; F673-F724 HydrophobicContact CE1-CB 3.77Å; F673-F724 HydrophobicContact CE1-CD1 4.47Å; F673-F724 AromaticContact CE1-CD2 3.61Å; F673-F724 HydrophobicContact CE1-CD2 3.61Å; F673-F724 HydrophobicContact CE1-CE2 4.34Å; F673-F724 AromaticContact CE1-CG 3.7Å; F673-F724 HydrophobicContact CE1-CG 3.7Å; F673-F724 HydrophobicContact CZ-CB 4.05Å; F673-F724 AromaticContact CZ-CD2 3.93Å; F673-F724 HydrophobicContact CZ-CD2 3.93Å; F673-F724 HydrophobicContact CZ-CG 4.24Å
674	I	98.2	Very high	96.1	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	116.4	177.1	-56.2	165.2	0	0	0	107.1	M623 V625 I663 A666 Q667 R690	M623-I674 CarbonylContact O-C 3.59Å; M623-I674 WeakPolarHBondContact O-CA 3.32Å; V625-I674 HydrophobicContact CG2-CG2 3.89Å; I663-I674 HydrophobicContact CG1-CG2 4.42Å; I663-I674 HydrophobicContact CG2-CD1 4.36Å; A666-I674 HydrophobicContact CB-CD1 3.73Å; A666-I674 HydrophobicContact CB-CG1 3.87Å; A666-I674 HydrophobicContact CB-CG2 4.48Å; Q667-I674 HydrophobicContact CB-CD1 4.48Å; Q667-I674 HydrophobicContact CG-CD1 3.52Å; I674-R690 HydrophobicContact CB-CB 4.41Å; I674-R690 PolarHBondContact N-O 3.17Å; I674-R690 PolarHBondContact O-N 2.9Å
675	L	98.1	Very high	96.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	110.3	-176	-54.1	-175	0	0	0	109.1	V622 M623 V624 V625 V638 F642 V687 N688 V689	V622-L675 HydrophobicContact CG1-CD1 3.44Å; V622-L675 VanDerWaalsContact CG1-CD1 3.44Å; V622-L675 HydrophobicContact CG1-CG 3.81Å; M623-L675 PolarHBondContact O-N 3.47Å; V624-L675 CarbonylContact C-O 3.57Å; V624-L675 WeakPolarHBondContact CA-O 3.06Å; V625-L675 PolarHBondContact N-O 2.97Å; V638-L675 HydrophobicContact CG1-CD1 4.33Å; F642-L675 HydrophobicContact CD2-CD1 4.1Å; F642-L675 HydrophobicContact CE1-CD1 4.47Å; F642-L675 HydrophobicContact CE2-CD1 3.33Å; F642-L675 HydrophobicContact CZ-CD1 3.56Å; L675-V687 HydrophobicContact CB-CB 4.24Å; L675-V687 HydrophobicContact CB-CG1 4.25Å; L675-V687 HydrophobicContact CD1-CG1 4.26Å; L675-V687 HydrophobicContact CD1-CG2 4.45Å; L675-V687 HydrophobicContact CD2-CB 4.44Å; L675-V687 HydrophobicContact CD2-CG2 4.26Å; L675-N688 WeakPolarHBondContact CA-O 3.44Å; L675-V689 HydrophobicContact CD2-CB 4.2Å; L675-V689 HydrophobicContact CD2-CG1 4.02Å; L675-V689 HydrophobicContact CD2-CG2 3.84Å
676	V	97.4	Very high	96.3	Very high	8 Å²	8	41.8 Å²	41.8	5%	0.048	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	131.2	177.2	-178.7	0	0	0	0	109.3	V625 V627 L659 I663 N688	V625-V676 WeakPolarHBondContact O-CA 3.35Å; V627-V676 HydrophobicContact CG2-CG1 3.75Å; L659-V676 HydrophobicContact CD1-CG1 4.14Å; I663-V676 HydrophobicContact CD1-CG2 3.98Å; I663-V676 HydrophobicContact CG1-CG2 4.27Å; V676-N688 HydrophobicContact CB-CB 4.26Å; V676-N688 PolarHBondContact N-O 2.89Å; V676-N688 WeakPolarHBondContact O-CB 3.46Å; V676-N688 PolarHBondContact O-N 3.37Å
677	V	97.6	Very high	96.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	121.8	-179.5	-63.1	0	0	0	0	111.8	V624 V625 P626 V627 Y634 A635 E681 V687	V624-V677 HydrophobicContact CG1-CG1 4.28Å; V624-V677 HydrophobicContact CG1-CG2 4.05Å; V625-V677 PolarHBondContact O-N 3.13Å; P626-V677 CarbonylContact C-O 3.58Å; P626-V677 WeakPolarHBondContact CA-O 3.39Å; P626-V677 HydrophobicContact CB-CG2 4.21Å; V627-V677 PolarHBondContact N-O 3.07Å; Y634-V677 HydrophobicContact CD1-CB 3.85Å; Y634-V677 HydrophobicContact CD1-CG1 4.1Å; Y634-V677 HydrophobicContact CD1-CG2 4.2Å; Y634-V677 HydrophobicContact CE1-CB 3.96Å; Y634-V677 HydrophobicContact CE1-CG1 3.78Å; A635-V677 HydrophobicContact CB-CG2 3.78Å; V677-E681 HydrophobicContact CB-CB 4.35Å; V677-V687 HydrophobicContact CG1-CG1 3.79Å
678	G	96.3	Very high	96.5	Very high	5 Å²	5	41 Å²	41	5%	0.052	22%	0.222	C	C	.	.			trans	-117.8	-166.9	172	0	0	0	0	0	112.3	K680 E681 K682	G678-K680 VanDerWaalsContact C-N 3.29Å; G678-K680 PolarHBondContact O-N 3.37Å; G678-E681 WeakPolarHBondContact CA-OE2 3.36Å; G678-E681 PolarHBondContact N-OE2 3.48Å; G678-E681 PolarHBondContact O-N 3.47Å; G678-K682 WeakPolarHBondContact O-CB 3.41Å; G678-K682 PolarHBondContact O-N 3.47Å
679	E	95.9	Very high	96.7	Very high	93 Å²	93	35.6 Å²	35.6	44%	0.435	19%	0.194	S	C	.	.	H	α-helix	trans	-63.2	-35.1	-179.9	-68.5	-62	161.4	0	0	112.8	T630 T683	T630-E679 WeakPolarHBondContact CB-OE1 3.4Å; T630-E679 PolarHBondContact OG1-OE1 2.83Å; E679-T683 WeakPolarHBondContact O-CB 3.39Å; E679-T683 PolarHBondContact O-N 3.2Å; E679-T683 PolarHBondContact O-OG1 2.76Å
680	K	95.3	Very high	96.8	Very high	131 Å²	131	35.5 Å²	35.5	57%	0.57	18%	0.181	S	C	*	.	H	α-helix	trans	-64.2	-47.4	176.9	-172.2	-165.7	177.8	-159.3	0	110.5	G678 T683 S684 E699	G678-K680 VanDerWaalsContact C-N 3.29Å; G678-K680 PolarHBondContact O-N 3.37Å; K680-T683 PolarHBondContact O-N 2.83Å; K680-S684 WeakPolarHBondContact O-CB 3.3Å; K680-S684 PolarHBondContact O-N 3.14Å; K680-S684 VanDerWaalsContact O-N 3.09Å; K680-S684 PolarHBondContact O-OG 3.15Å; K680-E699 VanDerWaalsContact CE-OE2 3.31Å; K680-E699 WeakPolarHBondContact CE-OE2 3.29Å; K680-E699 IonicContact NZ-OE2 3.95Å; K680-E699 PolarHBondContact NZ-OE2 3.29Å
681	E	96.8	Very high	96.9	Very high	25 Å²	25	33.8 Å²	33.8	12%	0.117	17%	0.174	C	C	.	.	H	α-helix	trans	-64.2	-44.3	178.8	-73.9	73.4	-151.3	0	0	111.7	Y634 V677 G678 T683 S684 N685 T686	Y634-E681 HydrophobicContact CE1-CB 4.33Å; V677-E681 HydrophobicContact CB-CB 4.35Å; G678-E681 WeakPolarHBondContact CA-OE2 3.36Å; G678-E681 PolarHBondContact N-OE2 3.48Å; G678-E681 PolarHBondContact O-N 3.47Å; E681-T683 VanDerWaalsContact C-N 3.34Å; E681-T683 PolarHBondContact O-N 2.88Å; E681-S684 PolarHBondContact O-N 2.9Å; E681-N685 WeakPolarHBondContact O-CA 3.34Å; E681-N685 PolarHBondContact O-N 3.12Å; E681-T686 WeakPolarHBondContact CA-OG1 3.43Å; E681-T686 VanDerWaalsContact CB-O 3.29Å; E681-T686 WeakPolarHBondContact CB-O 3.44Å; E681-T686 PolarHBondContact O-N 3.43Å
682	K	96.2	Very high	96.7	Very high	78 Å²	78	33.5 Å²	33.5	34%	0.339	17%	0.172	S	C	.	.	H	α-helix	trans	-57.6	-44.8	175	179.7	179	-177.1	-177.9	0	112.3	T630 Y634 G678 S684	T630-K682 PolarHBondContact O-NZ 2.74Å; Y634-K682 HydrophobicContact CD1-CB 3.87Å; Y634-K682 HydrophobicContact CD1-CG 4.38Å; Y634-K682 HydrophobicContact CD2-CG 4.29Å; Y634-K682 HydrophobicContact CE1-CB 4.42Å; Y634-K682 HydrophobicContact CG-CB 3.94Å; Y634-K682 HydrophobicContact CG-CG 3.93Å; G678-K682 WeakPolarHBondContact O-CB 3.41Å; G678-K682 PolarHBondContact O-N 3.47Å; K682-S684 VanDerWaalsContact C-N 3.33Å
683	T	95.4	Very high	96.4	Very high	119 Å²	119	38.6 Å²	38.6	73%	0.73	20%	0.2	S	C	*	.	H	α-helix	trans	-69.1	-33.4	-179.1	-54.5	0	0	0	0	111.9	E679 K680 E681	E679-T683 WeakPolarHBondContact O-CB 3.39Å; E679-T683 PolarHBondContact O-N 3.2Å; E679-T683 PolarHBondContact O-OG1 2.76Å; K680-T683 PolarHBondContact O-N 2.83Å; E681-T683 VanDerWaalsContact C-N 3.34Å; E681-T683 PolarHBondContact O-N 2.88Å
684	S	95.4	Very high	96	Very high	66 Å²	66	42.4 Å²	42.4	46%	0.462	22%	0.22	S	C	.	.	H	α-helix	trans	-97.5	-3	-174.5	-47.6	0	0	0	0	113.7	K680 E681 K682 T686	K680-S684 WeakPolarHBondContact O-CB 3.3Å; K680-S684 PolarHBondContact O-N 3.14Å; K680-S684 VanDerWaalsContact O-N 3.09Å; K680-S684 PolarHBondContact O-OG 3.15Å; E681-S684 PolarHBondContact O-N 2.9Å; K682-S684 VanDerWaalsContact C-N 3.33Å; S684-T686 VanDerWaalsContact C-N 3.32Å; S684-T686 PolarHBondContact O-N 3.18Å
685	N	96.2	Very high	95.8	Very high	61 Å²	61	47.7 Å²	47.7	33%	0.326	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	46.1	-170.7	-161.9	60.5	0	0	0	112.9	Y634 K637 E681 V702	Y634-N685 WeakPolarHBondContact OH-CA 3.47Å; K637-N685 PolarHBondContact NZ-OD1 3.15Å; E681-N685 WeakPolarHBondContact O-CA 3.34Å; E681-N685 PolarHBondContact O-N 3.12Å; N685-V702 PolarHBondContact O-N 2.96Å
686	T	97.9	Very high	95.5	Very high	15 Å²	15	51.5 Å²	51.5	9%	0.092	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	171.3	-177	54.4	0	0	0	0	111.9	Y634 E681 S684 E699 C700	Y634-T686 PolarHBondContact OH-N 3.12Å; Y634-T686 PolarHBondContact OH-O 2.67Å; E681-T686 WeakPolarHBondContact CA-OG1 3.43Å; E681-T686 VanDerWaalsContact CB-O 3.29Å; E681-T686 WeakPolarHBondContact CB-O 3.44Å; E681-T686 PolarHBondContact O-N 3.43Å; S684-T686 VanDerWaalsContact C-N 3.32Å; S684-T686 PolarHBondContact O-N 3.18Å; T686-E699 WeakPolarHBondContact CB-OE1 3.38Å; T686-E699 HydrophobicContact CG2-CG 4.13Å; T686-E699 PolarHBondContact OG1-OE1 3.48Å; T686-C700 CarbonylContact C-O 3.49Å; T686-C700 WeakPolarHBondContact CA-O 3.4Å; T686-C700 WeakPolarHBondContact CB-O 3.47Å
687	V	97.5	Very high	95.2	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	145.2	173.8	-73.5	0	0	0	0	110.1	V638 L675 V677 V689 E699 C700 V702 C705	V638-V687 HydrophobicContact CG1-CG1 3.92Å; V638-V687 HydrophobicContact CG2-CG1 4.32Å; L675-V687 HydrophobicContact CB-CB 4.24Å; L675-V687 HydrophobicContact CB-CG1 4.25Å; L675-V687 HydrophobicContact CD1-CG1 4.26Å; L675-V687 HydrophobicContact CD1-CG2 4.45Å; L675-V687 HydrophobicContact CD2-CB 4.44Å; L675-V687 HydrophobicContact CD2-CG2 4.26Å; V677-V687 HydrophobicContact CG1-CG1 3.79Å; V687-V689 HydrophobicContact CG2-CG2 4.01Å; V687-E699 WeakPolarHBondContact O-CA 3.42Å; V687-C700 PolarHBondContact N-O 3.28Å; V687-C700 PolarHBondContact O-N 2.91Å; V687-V702 HydrophobicContact CG1-CG2 3.93Å; V687-C705 HydrophobicContact CG2-CB 4.12Å
688	N	97.4	Very high	95	Very high	31 Å²	31	55 Å²	55	17%	0.166	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	111.6	168.6	-172.4	-93.8	0	0	0	110	L675 V676 R690 G698	L675-N688 WeakPolarHBondContact CA-O 3.44Å; V676-N688 HydrophobicContact CB-CB 4.26Å; V676-N688 PolarHBondContact N-O 2.89Å; V676-N688 WeakPolarHBondContact O-CB 3.46Å; V676-N688 PolarHBondContact O-N 3.37Å; N688-R690 PolarHBondContact OD1-NE 3.4Å; N688-G698 CarbonylContact C-O 3.57Å; N688-G698 WeakPolarHBondContact CA-O 3.45Å
689	V	97.4	Very high	94.9	Very high	1 Å²	1	58 Å²	58	1%	0.006	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	130.8	-171.3	-171.9	0	0	0	0	111.5	F673 L675 V687 H697 G698 C700 F724	F673-V689 HydrophobicContact CD1-CG1 3.84Å; L675-V689 HydrophobicContact CD2-CB 4.2Å; L675-V689 HydrophobicContact CD2-CG1 4.02Å; L675-V689 HydrophobicContact CD2-CG2 3.84Å; V687-V689 HydrophobicContact CG2-CG2 4.01Å; V689-H697 HydrophobicContact CB-CB 4.42Å; V689-H697 PolarHBondContact O-N 3.16Å; V689-G698 PolarHBondContact N-O 3.47Å; V689-C700 VanDerWaalsContact CG2-SG 3.57Å; V689-F724 HydrophobicContact CB-CE1 4.06Å; V689-F724 HydrophobicContact CB-CZ 4.24Å; V689-F724 HydrophobicContact CG1-CD1 4.32Å; V689-F724 HydrophobicContact CG1-CE1 3.74Å; V689-F724 HydrophobicContact CG1-CE2 4.43Å; V689-F724 HydrophobicContact CG1-CZ 3.8Å; V689-F724 HydrophobicContact CG2-CE1 4.21Å; V689-F724 HydrophobicContact CG2-CZ 3.99Å
690	R	96.6	Very high	94.9	Very high	53 Å²	53	54.7 Å²	54.7	20%	0.2	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	147.3	173	-52.2	-176.2	-178.4	-163.3	3.3	110.4	F673 I674 N688 K695 V696	F673-R690 CarbonylContact C-O 3.57Å; F673-R690 WeakPolarHBondContact CA-O 3.26Å; I674-R690 HydrophobicContact CB-CB 4.41Å; I674-R690 PolarHBondContact N-O 3.17Å; I674-R690 PolarHBondContact O-N 2.9Å; N688-R690 PolarHBondContact OD1-NE 3.4Å; R690-K695 CarbonylContact C-O 3.6Å; R690-K695 VanDerWaalsContact CA-O 3.31Å; R690-K695 WeakPolarHBondContact CA-O 3.45Å; R690-V696 HydrophobicContact CG-CG2 4.22Å
691	T	95.6	Very high	95.1	Very high	5 Å²	5	50.5 Å²	50.5	3%	0.031	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	166.8	173.1	70.1	0	0	0	0	111.5	F673 D693 N694 K695 H697 E721	F673-T691 HydrophobicContact CE1-CG2 4.32Å; T691-D693 PolarHBondContact O-N 2.98Å; T691-D693 VanDerWaalsContact O-N 3.14Å; T691-D693 PolarHBondContact OG1-N 3.39Å; T691-N694 WeakPolarHBondContact O-CA 3.19Å; T691-N694 PolarHBondContact O-N 3.35Å; T691-K695 HydrophobicContact CG2-CB 4.27Å; T691-K695 PolarHBondContact N-O 3.13Å; T691-K695 WeakPolarHBondContact OG1-CB 3.3Å; T691-K695 PolarHBondContact OG1-N 3.32Å; T691-H697 WeakPolarHBondContact CG2-NE2 3.25Å; T691-E721 HydrophobicContact CG2-CB 3.82Å; T691-E721 HydrophobicContact CG2-CG 4.34Å; T691-E721 WeakPolarHBondContact CG2-O 3.47Å
692	R	93.2	Very high	95.1	Very high	13 Å²	13	49.3 Å²	49.3	5%	0.049	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-30.7	173.5	79.8	174.9	78.1	-156.2	17.8	114.1	W613 Q667 Q670 Y671 N672 N694 E721	W613-R692 PolarHBondContact O-NH2 3.46Å; Q667-R692 WeakPolarHBondContact CG-O 3.28Å; Q667-R692 PolarHBondContact NE2-O 2.95Å; Q670-R692 PolarHBondContact O-NH1 2.88Å; Q670-R692 VanDerWaalsContact O-NH1 3.07Å; Y671-R692 WeakPolarHBondContact O-CB 3.39Å; N672-R692 PolarHBondContact ND2-NH2 3.15Å; N672-R692 PolarHBondContact O-N 2.89Å; N672-R692 VanDerWaalsContact O-N 3.07Å; R692-N694 VanDerWaalsContact C-N 3.26Å; R692-N694 PolarHBondContact O-N 2.94Å; R692-E721 IonicContact CZ-OE1 3.9Å; R692-E721 IonicContact NE-OE1 3.87Å; R692-E721 PolarHBondContact NE-OE1 3.45Å; R692-E721 IonicContact NH2-OE1 2.93Å; R692-E721 PolarHBondContact NH2-OE1 3.25Å
693	D	91.9	Very high	95.1	Very high	107 Å²	107	53.1 Å²	53.1	57%	0.572	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	15	178.8	-60.1	-52.1	0	0	0	112.6	K612 T691 K695	K612-D693 IonicContact NZ-OD1 2.71Å; T691-D693 PolarHBondContact O-N 2.98Å; T691-D693 VanDerWaalsContact O-N 3.14Å; T691-D693 PolarHBondContact OG1-N 3.39Å; D693-K695 VanDerWaalsContact C-N 3.3Å; D693-K695 PolarHBondContact O-N 2.94Å
694	N	89.5	Confident	95.2	Very high	80 Å²	80	53.1 Å²	53.1	43%	0.428	28%	0.28	S	S	.	.			trans	64.8	23.5	178.7	-156.2	34.9	0	0	0	115	T691 R692 V696	T691-N694 WeakPolarHBondContact O-CA 3.19Å; T691-N694 PolarHBondContact O-N 3.35Å; R692-N694 VanDerWaalsContact C-N 3.26Å; R692-N694 PolarHBondContact O-N 2.94Å; N694-V696 PolarHBondContact O-N 2.93Å
695	K	93.4	Very high	95.3	Very high	110 Å²	110	50 Å²	50	48%	0.478	26%	0.258	S	S	.	.			trans	-74.2	123.9	169	-171.8	-179.1	171	-166.9	0	108.4	R690 T691 D693	R690-K695 CarbonylContact C-O 3.6Å; R690-K695 VanDerWaalsContact CA-O 3.31Å; R690-K695 WeakPolarHBondContact CA-O 3.45Å; T691-K695 HydrophobicContact CG2-CB 4.27Å; T691-K695 PolarHBondContact N-O 3.13Å; T691-K695 WeakPolarHBondContact OG1-CB 3.3Å; T691-K695 PolarHBondContact OG1-N 3.32Å; D693-K695 VanDerWaalsContact C-N 3.3Å; D693-K695 PolarHBondContact O-N 2.94Å
696	V	93.2	Very high	95.4	Very high	80 Å²	80	48.1 Å²	48.1	49%	0.485	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	118.9	-179.2	-176.8	0	0	0	0	108.7	R690 N694	R690-V696 HydrophobicContact CG-CG2 4.22Å; N694-V696 PolarHBondContact O-N 2.93Å
697	H	91.6	Very high	95.4	Very high	58 Å²	58	53.9 Å²	53.9	27%	0.269	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	-12.8	177.6	-70	-104.9	0	0	0	112.5	V689 T691 F724	V689-H697 HydrophobicContact CB-CB 4.42Å; V689-H697 PolarHBondContact O-N 3.16Å; T691-H697 WeakPolarHBondContact CG2-NE2 3.25Å; H697-F724 HydrophobicContact CB-CD1 3.86Å; H697-F724 HydrophobicContact CB-CE1 3.9Å; H697-F724 PolarHBondContact CE1-OXT 2.77Å; H697-F724 AromaticContact CG-CD1 3.62Å; H697-F724 AromaticContact ND1-CD1 3.54Å; H697-F724 PolarHBondContact ND1-OXT 3Å
698	G	92	Very high	95.4	Very high	24 Å²	24	57.7 Å²	57.7	25%	0.247	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	98.3	-161.2	176.4	0	0	0	0	0	112.6	N688 V689	N688-G698 CarbonylContact C-O 3.57Å; N688-G698 WeakPolarHBondContact CA-O 3.45Å; V689-G698 PolarHBondContact N-O 3.47Å
699	E	95.3	Very high	95.4	Very high	69 Å²	69	56.2 Å²	56.2	32%	0.322	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	131.5	-176.5	-175	-178.3	171.7	0	0	110.6	K680 T686 V687	K680-E699 VanDerWaalsContact CE-OE2 3.31Å; K680-E699 WeakPolarHBondContact CE-OE2 3.29Å; K680-E699 IonicContact NZ-OE2 3.95Å; K680-E699 PolarHBondContact NZ-OE2 3.29Å; T686-E699 WeakPolarHBondContact CB-OE1 3.38Å; T686-E699 HydrophobicContact CG2-CG 4.13Å; T686-E699 PolarHBondContact OG1-OE1 3.48Å; V687-E699 WeakPolarHBondContact O-CA 3.42Å
700	C	96.1	Very high	95.4	Very high	23 Å²	23	59.2 Å²	59.2	16%	0.155	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	163.6	169.5	64.8	0	0	0	0	110.7	T686 V687 V689	T686-C700 CarbonylContact C-O 3.49Å; T686-C700 WeakPolarHBondContact CA-O 3.4Å; T686-C700 WeakPolarHBondContact CB-O 3.47Å; V687-C700 PolarHBondContact N-O 3.28Å; V687-C700 PolarHBondContact O-N 2.91Å; V689-C700 VanDerWaalsContact CG2-SG 3.57Å
701	S	97.8	Very high	95.4	Very high	43 Å²	43	61 Å²	61	30%	0.301	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	149.6	176.2	71.5	0	0	0	0	111	E703 E704 C705	S701-E703 PolarHBondContact O-N 3.16Å; S701-E704 PolarHBondContact O-N 3.18Å; S701-E704 WeakPolarHBondContact OG-CB 3.38Å; S701-E704 PolarHBondContact OG-N 3.17Å; S701-E704 VanDerWaalsContact OG-N 3.15Å; S701-C705 WeakPolarHBondContact O-CB 3.42Å; S701-C705 PolarHBondContact O-N 2.76Å
702	V	97.3	Very high	95.4	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-58.3	-41.3	178.5	-178.8	0	0	0	0	111	Y634 V638 E641 F642 N685 V687 C705 I706	Y634-V702 WeakPolarHBondContact OH-CG2 3.45Å; V638-V702 HydrophobicContact CG1-CG1 4.43Å; V638-V702 HydrophobicContact CG2-CG2 3.99Å; E641-V702 HydrophobicContact CB-CG1 4.44Å; E641-V702 WeakPolarHBondContact OE2-CG1 2.98Å; F642-V702 HydrophobicContact CE2-CG1 4.1Å; N685-V702 PolarHBondContact O-N 2.96Å; V687-V702 HydrophobicContact CG1-CG2 3.93Å; V702-C705 PolarHBondContact O-N 2.78Å; V702-I706 HydrophobicContact CG1-CD1 3.84Å; V702-I706 HydrophobicContact CG1-CG1 4.41Å; V702-I706 WeakPolarHBondContact O-CG1 3.36Å; V702-I706 PolarHBondContact O-N 3.11Å
703	E	97.5	Very high	95.5	Very high	158 Å²	158	62.9 Å²	62.9	74%	0.738	32%	0.316	S	S	*	.	H	α-helix	trans	-62	-47.1	178.4	-175.4	179.6	179.9	0	0	112.5	S701 C705 I706 K707	S701-E703 PolarHBondContact O-N 3.16Å; E703-C705 VanDerWaalsContact C-N 3.33Å; E703-C705 PolarHBondContact O-N 3.28Å; E703-I706 PolarHBondContact O-N 3.41Å; E703-K707 WeakPolarHBondContact O-CB 3.49Å; E703-K707 PolarHBondContact O-N 2.78Å
704	E	97.1	Very high	95.6	Very high	118 Å²	118	61.4 Å²	61.4	55%	0.551	32%	0.318	S	S	*	.	H	α-helix	trans	-62.9	-40.5	177.3	-177.2	177.2	-167.2	0	0	111.7	S701 K707 R708	S701-E704 PolarHBondContact O-N 3.18Å; S701-E704 WeakPolarHBondContact OG-CB 3.38Å; S701-E704 PolarHBondContact OG-N 3.17Å; S701-E704 VanDerWaalsContact OG-N 3.15Å; E704-K707 PolarHBondContact O-N 3.15Å; E704-R708 WeakPolarHBondContact O-CB 3.49Å; E704-R708 PolarHBondContact O-N 3.49Å
705	C	97.4	Very high	95.8	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-62.2	-48.9	176.5	-166.5	0	0	0	0	111.5	F642 V687 S701 V702 E703 K707 R708 L709	F642-C705 HydrophobicContact CZ-CB 4.17Å; V687-C705 HydrophobicContact CG2-CB 4.12Å; S701-C705 WeakPolarHBondContact O-CB 3.42Å; S701-C705 PolarHBondContact O-N 2.76Å; V702-C705 PolarHBondContact O-N 2.78Å; E703-C705 VanDerWaalsContact C-N 3.33Å; E703-C705 PolarHBondContact O-N 3.28Å; C705-K707 VanDerWaalsContact C-N 3.32Å; C705-K707 PolarHBondContact O-N 3.13Å; C705-R708 PolarHBondContact O-N 3.5Å; C705-L709 WeakPolarHBondContact O-CG 3.46Å; C705-L709 PolarHBondContact O-N 3.31Å
706	I	98.1	Very high	95.9	Very high	22 Å²	22	58.7 Å²	58.7	11%	0.113	31%	0.31	C	S	.	.	H	α-helix	trans	-57.7	-46.5	176.5	-72.2	169.4	0	0	0	110.5	E641 F642 S645 F647 V702 E703 L709 T710	E641-I706 HydrophobicContact CB-CD1 4.09Å; F642-I706 HydrophobicContact CD1-CG1 3.79Å; F642-I706 HydrophobicContact CD2-CD1 4.4Å; F642-I706 HydrophobicContact CD2-CG1 4.19Å; F642-I706 HydrophobicContact CE1-CB 4.43Å; F642-I706 HydrophobicContact CE1-CG1 3.52Å; F642-I706 HydrophobicContact CE2-CD1 4.43Å; F642-I706 HydrophobicContact CE2-CG1 3.96Å; F642-I706 HydrophobicContact CG-CD1 4.48Å; F642-I706 HydrophobicContact CG-CG1 4.11Å; F642-I706 HydrophobicContact CZ-CG1 3.62Å; S645-I706 WeakPolarHBondContact OG-CG2 3.38Å; F647-I706 HydrophobicContact CE2-CG2 4.4Å; V702-I706 HydrophobicContact CG1-CD1 3.84Å; V702-I706 HydrophobicContact CG1-CG1 4.41Å; V702-I706 WeakPolarHBondContact O-CG1 3.36Å; V702-I706 PolarHBondContact O-N 3.11Å; E703-I706 PolarHBondContact O-N 3.41Å; I706-L709 PolarHBondContact O-N 2.99Å; I706-T710 WeakPolarHBondContact O-CB 3.2Å; I706-T710 PolarHBondContact O-N 3.36Å; I706-T710 PolarHBondContact O-OG1 3.42Å
707	K	97.7	Very high	95.8	Very high	137 Å²	137	55.4 Å²	55.4	60%	0.596	29%	0.291	S	S	*	.	H	α-helix	trans	-59.4	-49.1	178.3	-175.9	-177.2	174.6	-172.5	0	111.3	E703 E704 C705 L709 T710 E711	E703-K707 WeakPolarHBondContact O-CB 3.49Å; E703-K707 PolarHBondContact O-N 2.78Å; E704-K707 PolarHBondContact O-N 3.15Å; C705-K707 VanDerWaalsContact C-N 3.32Å; C705-K707 PolarHBondContact O-N 3.13Å; K707-L709 PolarHBondContact O-N 3.32Å; K707-T710 WeakPolarHBondContact O-CB 3.34Å; K707-T710 PolarHBondContact O-N 3.34Å; K707-T710 VanDerWaalsContact O-N 3.15Å; K707-E711 WeakPolarHBondContact CE-OE1 3.33Å; K707-E711 WeakPolarHBondContact O-CG 3.44Å; K707-E711 PolarHBondContact O-N 3.37Å
708	R	97.1	Very high	95.7	Very high	79 Å²	79	59 Å²	59	30%	0.298	30%	0.302	S	S	.	.	H	α-helix	trans	-61	-46.7	179.8	-176.6	64.6	-174.7	135.1	2	112	E704 C705 T710 E711 L712 E723 F724	E704-R708 WeakPolarHBondContact O-CB 3.49Å; E704-R708 PolarHBondContact O-N 3.49Å; C705-R708 PolarHBondContact O-N 3.5Å; R708-T710 PolarHBondContact O-N 2.88Å; R708-E711 IonicContact NH1-OE2 3.3Å; R708-E711 PolarHBondContact NH1-OE2 3.34Å; R708-E711 PolarHBondContact O-N 3.2Å; R708-L712 HydrophobicContact CG-CD1 4.3Å; R708-L712 WeakPolarHBondContact O-CG 3.46Å; R708-L712 PolarHBondContact O-N 3.03Å; R708-L712 VanDerWaalsContact O-N 3.08Å; R708-E723 PolarHBondContact NH2-O 2.88Å; R708-F724 HydrophobicContact CB-CE2 4.12Å; R708-F724 HydrophobicContact CG-CD2 3.77Å; R708-F724 HydrophobicContact CG-CE2 3.74Å; R708-F724 HydrophobicContact CG-CZ 4.5Å
709	L	97.3	Very high	95.6	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-65.2	-30.5	177.3	-65.5	-163.6	0	0	0	112.3	L615 V622 F642 F647 F673 C705 I706 K707 L712 K713 F724	L615-L709 HydrophobicContact CD2-CB 4.34Å; L615-L709 HydrophobicContact CD2-CD2 4.17Å; V622-L709 HydrophobicContact CG2-CD1 3.87Å; F642-L709 HydrophobicContact CE1-CD1 3.87Å; F647-L709 HydrophobicContact CE1-CB 3.74Å; F647-L709 HydrophobicContact CZ-CB 3.63Å; F673-L709 HydrophobicContact CD1-CD2 4.32Å; F673-L709 HydrophobicContact CD2-CD1 3.91Å; F673-L709 HydrophobicContact CD2-CD2 3.66Å; F673-L709 HydrophobicContact CD2-CG 4.48Å; F673-L709 HydrophobicContact CE1-CD2 4.04Å; F673-L709 HydrophobicContact CE2-CD1 4.41Å; F673-L709 HydrophobicContact CE2-CD2 3.35Å; F673-L709 HydrophobicContact CG-CD1 4.26Å; F673-L709 HydrophobicContact CG-CD2 4.15Å; F673-L709 HydrophobicContact CZ-CD2 3.55Å; C705-L709 WeakPolarHBondContact O-CG 3.46Å; C705-L709 PolarHBondContact O-N 3.31Å; I706-L709 PolarHBondContact O-N 2.99Å; K707-L709 PolarHBondContact O-N 3.32Å; L709-L712 HydrophobicContact CD2-CD1 4.16Å; L709-L712 PolarHBondContact O-N 3.47Å; L709-K713 VanDerWaalsContact O-CB 3.24Å; L709-K713 WeakPolarHBondContact O-CB 3.4Å; L709-K713 PolarHBondContact O-N 2.79Å; L709-F724 HydrophobicContact CD2-CD2 3.6Å; L709-F724 HydrophobicContact CD2-CE2 3.66Å; L709-F724 HydrophobicContact CG-CE2 4.3Å
710	T	97.3	Very high	95.5	Very high	64 Å²	64	58.5 Å²	58.5	39%	0.393	30%	0.296	S	S	.	.	H	α-helix	trans	-67.9	-42.3	176.8	-59.2	0	0	0	0	110.8	I706 K707 R708 K713 A714	I706-T710 WeakPolarHBondContact O-CB 3.2Å; I706-T710 PolarHBondContact O-N 3.36Å; I706-T710 PolarHBondContact O-OG1 3.42Å; K707-T710 WeakPolarHBondContact O-CB 3.34Å; K707-T710 PolarHBondContact O-N 3.34Å; K707-T710 VanDerWaalsContact O-N 3.15Å; R708-T710 PolarHBondContact O-N 2.88Å; T710-K713 PolarHBondContact O-N 3.08Å; T710-A714 VanDerWaalsContact O-CB 3.25Å; T710-A714 WeakPolarHBondContact O-CB 3.5Å; T710-A714 PolarHBondContact O-N 2.81Å
711	E	96.9	Very high	95.3	Very high	91 Å²	91	58.2 Å²	58.2	43%	0.425	29%	0.292	S	S	.	.	H	α-helix	trans	-62.2	-43.8	174.2	-67.7	168.8	-177.5	0	0	111.9	K707 R708 A714 S715	K707-E711 WeakPolarHBondContact CE-OE1 3.33Å; K707-E711 WeakPolarHBondContact O-CG 3.44Å; K707-E711 PolarHBondContact O-N 3.37Å; R708-E711 IonicContact NH1-OE2 3.3Å; R708-E711 PolarHBondContact NH1-OE2 3.34Å; R708-E711 PolarHBondContact O-N 3.2Å; E711-A714 PolarHBondContact O-N 3.41Å; E711-S715 WeakPolarHBondContact O-CB 3.5Å; E711-S715 PolarHBondContact O-N 3.13Å; E711-S715 PolarHBondContact O-OG 3.3Å
712	L	96.1	Very high	95	Very high	2 Å²	2	62.7 Å²	62.7	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-65.7	-40.3	176.9	-69.2	171.3	0	0	0	112.2	L615 R708 L709 S715 R716 S717 A720 E723 F724	L615-L712 HydrophobicContact CD2-CB 3.85Å; R708-L712 HydrophobicContact CG-CD1 4.3Å; R708-L712 WeakPolarHBondContact O-CG 3.46Å; R708-L712 PolarHBondContact O-N 3.03Å; R708-L712 VanDerWaalsContact O-N 3.08Å; L709-L712 HydrophobicContact CD2-CD1 4.16Å; L709-L712 PolarHBondContact O-N 3.47Å; L712-S715 WeakPolarHBondContact CA-OG 3.18Å; L712-S715 PolarHBondContact O-OG 3.09Å; L712-R716 PolarHBondContact O-N 3.41Å; L712-S717 PolarHBondContact O-N 3.26Å; L712-A720 HydrophobicContact CB-CB 4.09Å; L712-A720 HydrophobicContact CD1-CB 4.2Å; L712-A720 HydrophobicContact CD2-CB 4.49Å; L712-E723 HydrophobicContact CD2-CB 3.81Å; L712-E723 WeakPolarHBondContact CD2-OE2 3.36Å; L712-F724 HydrophobicContact CD1-CB 4.28Å; L712-F724 HydrophobicContact CD1-CD2 4.09Å
713	K	95.1	Very high	94.7	Very high	56 Å²	56	67.1 Å²	67.1	24%	0.243	33%	0.329	C	S	.	.	H	α-helix	trans	-64.7	-42.9	174.1	178.3	171.1	-177.2	-174.9	0	111.3	L615 W616 G646 F647 L709 T710 R716	L615-K713 HydrophobicContact CD2-CB 4.42Å; W616-K713 HydrophobicContact CB-CG 3.99Å; G646-K713 PolarHBondContact O-NZ 3.44Å; F647-K713 HydrophobicContact CE1-CB 4.48Å; F647-K713 HydrophobicContact CE1-CD 4.02Å; F647-K713 HydrophobicContact CZ-CD 4.49Å; L709-K713 VanDerWaalsContact O-CB 3.24Å; L709-K713 WeakPolarHBondContact O-CB 3.4Å; L709-K713 PolarHBondContact O-N 2.79Å; T710-K713 PolarHBondContact O-N 3.08Å; K713-R716 PolarHBondContact O-N 2.95Å; K713-R716 VanDerWaalsContact O-N 3.16Å
714	A	93.9	Very high	94.3	Very high	75 Å²	75	62.1 Å²	62.1	62%	0.62	31%	0.305	S	S	*	.	H	α-helix	trans	-68.9	-37.1	-178.9	0	0	0	0	0	113.1	T710 E711 R716	T710-A714 VanDerWaalsContact O-CB 3.25Å; T710-A714 WeakPolarHBondContact O-CB 3.5Å; T710-A714 PolarHBondContact O-N 2.81Å; E711-A714 PolarHBondContact O-N 3.41Å; A714-R716 PolarHBondContact O-N 2.85Å
715	S	93.9	Very high	94.2	Very high	75 Å²	75	59.4 Å²	59.4	52%	0.524	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-8.8	173	58.1	0	0	0	0	113.4	E711 L712 S717	E711-S715 WeakPolarHBondContact O-CB 3.5Å; E711-S715 PolarHBondContact O-N 3.13Å; E711-S715 PolarHBondContact O-OG 3.3Å; L712-S715 WeakPolarHBondContact CA-OG 3.18Å; L712-S715 PolarHBondContact O-OG 3.09Å; S715-S717 PolarHBondContact O-N 2.87Å
716	R	94.6	Very high	94	Very high	58 Å²	58	62.5 Å²	62.5	22%	0.219	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.7	36.3	-176.6	-55.4	174.7	-175.8	142.5	-5.7	111.6	F360 S363 E364 V490 W616 L712 K713 A714 R718	F360-R716 VanDerWaalsContact CE2-CZ 3.43Å; S363-R716 PolarHBondContact OG-NH2 2.86Å; S363-R716 VanDerWaalsContact OG-NH2 3.14Å; E364-R716 IonicContact OE1-NH1 3Å; E364-R716 PolarHBondContact OE1-NH1 2.88Å; E364-R716 IonicContact OE1-NH2 3.37Å; V490-R716 HydrophobicContact CG1-CB 3.91Å; W616-R716 HydrophobicContact CD2-CB 4.35Å; W616-R716 HydrophobicContact CD2-CG 4.28Å; W616-R716 HydrophobicContact CG-CB 4.13Å; W616-R716 HydrophobicContact CG-CG 4.27Å; L712-R716 PolarHBondContact O-N 3.41Å; K713-R716 PolarHBondContact O-N 2.95Å; K713-R716 VanDerWaalsContact O-N 3.16Å; A714-R716 PolarHBondContact O-N 2.85Å; R716-R718 PolarHBondContact O-N 3.16Å
717	S	91.7	Very high	93.8	Very high	11 Å²	11	64.7 Å²	64.7	8%	0.077	32%	0.319	C	S	.	.			trans	-57	137.8	-179.3	174.2	0	0	0	0	110.9	L712 S715 N719 A720 E723	L712-S717 PolarHBondContact O-N 3.26Å; S715-S717 PolarHBondContact O-N 2.87Å; S717-N719 VanDerWaalsContact C-N 3.35Å; S717-N719 PolarHBondContact OG-N 2.98Å; S717-N719 VanDerWaalsContact OG-N 3.11Å; S717-A720 PolarHBondContact OG-N 3.26Å; S717-E723 WeakPolarHBondContact CB-OE2 3.5Å; S717-E723 PolarHBondContact OG-OE1 3.28Å; S717-E723 PolarHBondContact OG-OE2 3.35Å
718	R	89.6	Confident	93.5	Very high	135 Å²	135	60.5 Å²	60.5	51%	0.509	30%	0.303	S	S	.	.	S	Bend	trans	-77.8	-24	174.6	-69.3	178.9	-70.9	168.4	-5.2	112	R716	R716-R718 PolarHBondContact O-N 3.16Å
719	N	90.6	Very high	93.3	Very high	82 Å²	82	59.3 Å²	59.3	44%	0.439	30%	0.303	S	S	.	.			trans	-127	43.8	-172	-58	-23.5	0	0	0	111	S717 E721 E722 E723	S717-N719 VanDerWaalsContact C-N 3.35Å; S717-N719 PolarHBondContact OG-N 2.98Å; S717-N719 VanDerWaalsContact OG-N 3.11Å; N719-E721 PolarHBondContact O-N 3.21Å; N719-E721 VanDerWaalsContact O-N 3.1Å; N719-E722 HydrophobicContact CB-CB 4.22Å; N719-E722 HydrophobicContact CB-CG 4.32Å; N719-E722 PolarHBondContact O-N 3.35Å; N719-E723 PolarHBondContact O-N 3.47Å; N719-E723 VanDerWaalsContact O-N 3.1Å
720	A	93.1	Very high	93.1	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-54.3	-33.7	-175.5	0	0	0	0	0	112.9	L615 L712 S717 E722 E723 F724	L615-A720 HydrophobicContact CB-CB 3.67Å; L615-A720 HydrophobicContact CD2-CB 3.99Å; L615-A720 HydrophobicContact CG-CB 4.47Å; L712-A720 HydrophobicContact CB-CB 4.09Å; L712-A720 HydrophobicContact CD1-CB 4.2Å; L712-A720 HydrophobicContact CD2-CB 4.49Å; S717-A720 PolarHBondContact OG-N 3.26Å; A720-E722 VanDerWaalsContact C-N 3.35Å; A720-E723 PolarHBondContact O-N 2.98Å; A720-F724 WeakPolarHBondContact O-CB 3.47Å; A720-F724 PolarHBondContact O-N 3.15Å
721	E	92	Very high	92.8	Very high	17 Å²	17	63.2 Å²	63.2	8%	0.079	32%	0.318	C	S	.	.	H	α-helix	trans	-67.5	-31.2	176.7	-63.7	91.6	149.3	0	0	113.5	N672 F673 T691 R692 N719	N672-E721 HydrophobicContact CB-CG 4.5Å; N672-E721 PolarHBondContact ND2-OE1 3.26Å; F673-E721 HydrophobicContact CE2-CG 4.46Å; F673-E721 HydrophobicContact CZ-CG 4.21Å; T691-E721 HydrophobicContact CG2-CB 3.82Å; T691-E721 HydrophobicContact CG2-CG 4.34Å; T691-E721 WeakPolarHBondContact CG2-O 3.47Å; R692-E721 IonicContact CZ-OE1 3.9Å; R692-E721 IonicContact NE-OE1 3.87Å; R692-E721 PolarHBondContact NE-OE1 3.45Å; R692-E721 IonicContact NH2-OE1 2.93Å; R692-E721 PolarHBondContact NH2-OE1 3.25Å; N719-E721 PolarHBondContact O-N 3.21Å; N719-E721 VanDerWaalsContact O-N 3.1Å
722	E	91.3	Very high	92.4	Very high	136 Å²	136	61.1 Å²	61.1	64%	0.636	31%	0.31	S	S	*	.	H	α-helix	trans	-80.2	-36.1	176.3	-62.9	-177.8	167.1	0	0	111.3	N719 A720	N719-E722 HydrophobicContact CB-CB 4.22Å; N719-E722 HydrophobicContact CB-CG 4.32Å; N719-E722 PolarHBondContact O-N 3.35Å; A720-E722 VanDerWaalsContact C-N 3.35Å
723	E	91.4	Very high	92.1	Very high	93 Å²	93	66 Å²	66	44%	0.435	34%	0.335	S	S	.	.	H	α-helix	trans	-78.9	-20.7	-178.5	-69.7	175.7	-154	0	0	114.2	R708 L712 S717 N719 A720	R708-E723 PolarHBondContact NH2-O 2.88Å; L712-E723 HydrophobicContact CD2-CB 3.81Å; L712-E723 WeakPolarHBondContact CD2-OE2 3.36Å; S717-E723 WeakPolarHBondContact CB-OE2 3.5Å; S717-E723 PolarHBondContact OG-OE1 3.28Å; S717-E723 PolarHBondContact OG-OE2 3.35Å; N719-E723 PolarHBondContact O-N 3.47Å; N719-E723 VanDerWaalsContact O-N 3.1Å; A720-E723 PolarHBondContact O-N 2.98Å
724	F	88.4	Confident	91.9	Very high	54 Å²	54	66.9 Å²	66.9	24%	0.237	34%	0.343	C	S	.	.			trans	-56	0	178.6	-171.9	-85.6	0	0	0	111.7	F673 V689 H697 R708 L709 L712 A720	F673-F724 HydrophobicContact CD1-CD2 4.39Å; F673-F724 HydrophobicContact CE1-CB 3.77Å; F673-F724 HydrophobicContact CE1-CD1 4.47Å; F673-F724 AromaticContact CE1-CD2 3.61Å; F673-F724 HydrophobicContact CE1-CD2 3.61Å; F673-F724 HydrophobicContact CE1-CE2 4.34Å; F673-F724 AromaticContact CE1-CG 3.7Å; F673-F724 HydrophobicContact CE1-CG 3.7Å; F673-F724 HydrophobicContact CZ-CB 4.05Å; F673-F724 AromaticContact CZ-CD2 3.93Å; F673-F724 HydrophobicContact CZ-CD2 3.93Å; F673-F724 HydrophobicContact CZ-CG 4.24Å; V689-F724 HydrophobicContact CB-CE1 4.06Å; V689-F724 HydrophobicContact CB-CZ 4.24Å; V689-F724 HydrophobicContact CG1-CD1 4.32Å; V689-F724 HydrophobicContact CG1-CE1 3.74Å; V689-F724 HydrophobicContact CG1-CE2 4.43Å; V689-F724 HydrophobicContact CG1-CZ 3.8Å; V689-F724 HydrophobicContact CG2-CE1 4.21Å; V689-F724 HydrophobicContact CG2-CZ 3.99Å; H697-F724 HydrophobicContact CB-CD1 3.86Å; H697-F724 HydrophobicContact CB-CE1 3.9Å; H697-F724 PolarHBondContact CE1-OXT 2.77Å; H697-F724 AromaticContact CG-CD1 3.62Å; H697-F724 AromaticContact ND1-CD1 3.54Å; H697-F724 PolarHBondContact ND1-OXT 3Å; R708-F724 HydrophobicContact CB-CE2 4.12Å; R708-F724 HydrophobicContact CG-CD2 3.77Å; R708-F724 HydrophobicContact CG-CE2 3.74Å; R708-F724 HydrophobicContact CG-CZ 4.5Å; L709-F724 HydrophobicContact CD2-CD2 3.6Å; L709-F724 HydrophobicContact CD2-CE2 3.66Å; L709-F724 HydrophobicContact CG-CE2 4.3Å; L712-F724 HydrophobicContact CD1-CB 4.28Å; L712-F724 HydrophobicContact CD1-CD2 4.09Å; A720-F724 WeakPolarHBondContact O-CB 3.47Å; A720-F724 PolarHBondContact O-N 3.15Å

Retrieved 724 of 724 residues in 391.1 ms (Link to these results)

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