A0A061IDJ6_CRIGR Loading...

Hedgehog-interacting protein

AlphaFold DB , UniProt , Accession A0A061IDJ6, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Hhip, Length 700 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.6	Very low	33.9	Very low	231 Å²	231	175.3 Å²	175.3	100%	1.138	88%	0.877	S	S	*	*				0	72.1	0	-71.2	-173.2	-83.9	0	0	107.7
2	L	28.2	Very low	33.5	Very low	162 Å²	162	174.6 Å²	174.6	85%	0.848	88%	0.876	S	S	*	*				67.8	104.5	87.2	-93.4	89.5	0	0	0	113.5
3	K	36.2	Very low	33.3	Very low	192 Å²	192	169 Å²	169	84%	0.835	87%	0.874	S	S	*	*				31.2	131.4	123.3	-70.3	178.9	174.5	176.8	0	116.9
4	M	33.6	Very low	33.3	Very low	174 Å²	174	167.3 Å²	167.3	86%	0.857	87%	0.874	S	S	*	*			trans	136.2	40.7	142.1	-72.6	-165.8	76.5	0	0	116.2
5	L	33.9	Very low	32.9	Very low	176 Å²	176	161.9 Å²	161.9	92%	0.921	86%	0.864	S	S	*	*	S	Bend	trans	-141.6	25.5	-178.7	-108.7	125	0	0	0	119.8
6	S	36.9	Very low	32.6	Very low	108 Å²	108	163.4 Å²	163.4	76%	0.755	87%	0.87	S	S	*	*	S	Bend	trans	-132.3	9.4	168.1	-164.9	0	0	0	0	116
7	F	33.8	Very low	32.1	Very low	209 Å²	209	157.4 Å²	157.4	92%	0.917	86%	0.857	S	S	*	*	S	Bend	trans	-101.4	10	177.1	-120.7	-91.6	0	0	0	114.1
8	K	33.7	Very low	31.8	Very low	189 Å²	189	159.2 Å²	159.2	82%	0.822	86%	0.855	S	S	*	*	S	Bend	trans	-114.1	13.1	-178.1	-86.9	-169.3	175.8	-175.1	0	115.1
9	L	34.1	Very low	31.5	Very low	163 Å²	163	160.1 Å²	160.1	85%	0.853	85%	0.851	S	S	*	*	S	Bend	trans	-97.3	1	175.5	-114.3	105.2	0	0	0	114.7
10	L	32.7	Very low	31.2	Very low	168 Å²	168	161.8 Å²	161.8	88%	0.88	85%	0.854	S	S	*	*	S	Bend	trans	-109.9	10.7	-175.3	-143.1	84.3	0	0	0	114.9
11	L	31.6	Very low	30.8	Very low	156 Å²	156	157.9 Å²	157.9	82%	0.817	85%	0.852	S	S	*	*	S	Bend	trans	-137.2	17.4	-168.9	-102.8	155.7	0	0	0	115.7
12	L	29.1	Very low	30.2	Very low	167 Å²	167	154.6 Å²	154.6	87%	0.874	84%	0.839	S	S	*	*	S	Bend	trans	-140.1	37.4	-172.6	-112	145.5	0	0	0	115.1
13	A	31.2	Very low	30.1	Very low	102 Å²	102	151 Å²	151	84%	0.843	83%	0.833	S	S	*	*	S	Bend	trans	-138.3	27.7	167	0	0	0	0	0	112.6
14	V	32.9	Very low	29.5	Very low	145 Å²	145	152.1 Å²	152.1	88%	0.879	84%	0.838	S	S	*	*	S	Bend	trans	-134.4	70.7	173.2	-173.9	0	0	0	0	108.2
15	A	27.4	Very low	29.1	Very low	87 Å²	87	154 Å²	154	72%	0.719	84%	0.842	S	S	*	*			trans	-179.3	130.6	155.6	0	0	0	0	0	109.7
16	L	27.7	Very low	28.6	Very low	185 Å²	185	148.6 Å²	148.6	97%	0.969	83%	0.829	S	S	*	*			trans	77.6	122.7	173.3	-45.8	172.4	0	0	0	114.1
17	G	24.6	Very low	28	Very low	62 Å²	62	153 Å²	153	64%	0.639	84%	0.838	S	S	*	*			cis	176	129.9	2.6	0	0	0	0	0	105.9
18	F	27.1	Very low	27.8	Very low	189 Å²	189	154.7 Å²	154.7	83%	0.829	84%	0.838	S	S	*	*				83.4	113.3	105.5	-90.9	-97.2	0	0	0	116
19	F	26	Very low	27.4	Very low	176 Å²	176	151.4 Å²	151.4	77%	0.772	84%	0.839	S	S	*	*			trans	58.5	118.4	136.4	-82.1	-105.2	0	0	0	121.3
20	E	24.5	Very low	27.2	Very low	195 Å²	195	152.7 Å²	152.7	91%	0.911	84%	0.841	S	S	*	*				169.4	146.4	99.8	-110.2	173.3	179.5	0	0	110.7
21	G	24	Very low	26.9	Very low	79 Å²	79	148.1 Å²	148.1	81%	0.814	83%	0.833	S	S	*	*			trans	154.7	93.7	170.5	0	0	0	0	0	114.7
22	D	24.8	Very low	26.8	Very low	162 Å²	162	148.8 Å²	148.8	87%	0.866	84%	0.838	S	S	*	*			trans	-55.9	151.6	-167.4	-82	-49.7	0	0	0	120.8
23	A	26.4	Very low	26.8	Very low	88 Å²	88	144.7 Å²	144.7	73%	0.727	84%	0.837	S	S	*	*			trans	-4.8	130.6	145.8	0	0	0	0	0	119.1
24	K	24.3	Very low	27	Very low	214 Å²	214	143.8 Å²	143.8	93%	0.93	83%	0.829	S	S	*	*			trans	-136.4	126.8	133.8	-103	-177.5	-177.3	179.3	0	111.5
25	F	24	Very low	28	Very low	213 Å²	213	146.6 Å²	146.6	93%	0.934	82%	0.824	S	S	*	*			trans	-67.5	144.5	174	-123	-102.3	0	0	0	111.2
26	G	24.3	Very low	29.5	Very low	64 Å²	64	152 Å²	152	66%	0.66	83%	0.826	S	S	*	*			trans	92	97.1	147	0	0	0	0	0	117
27	E	24.9	Very low	31.8	Very low	200 Å²	200	150 Å²	150	94%	0.935	81%	0.805	S	S	*	*				-160.5	126.9	126.7	-111.2	171.1	-172.2	0	0	110.4
28	R	27.6	Very low	34.4	Very low	244 Å²	244	152 Å²	152	92%	0.921	79%	0.793	S	S	*	*			trans	-68.5	126.5	174.8	-78.8	172.9	169	168.7	-5.5	108.8
29	S	25.8	Very low	37	Very low	120 Å²	120	143.4 Å²	143.4	84%	0.839	76%	0.756	S	S	*	*			trans	-131	101.7	155.4	174.5	0	0	0	0	107.7
30	E	31.2	Very low	39.5	Very low	191 Å²	191	138.9 Å²	138.9	89%	0.893	74%	0.74	S	S	*	*			trans	-63.4	126.8	170.8	-69.5	174	145.1	0	0	110
31	G	24.9	Very low	41.8	Very low	71 Å²	71	135.1 Å²	135.1	73%	0.732	73%	0.726	S	S	*	*			trans	173	96.9	176	0	0	0	0	0	113.1
32	N	29.4	Very low	44	Very low	170 Å²	170	132.3 Å²	132.3	91%	0.909	70%	0.697	S	S	*	*			trans	58.8	72.9	167	-90.6	-13.6	0	0	0	118.1	A34	N32-A34 PolarHBondContact O-N 3.28Å
33	G	28.8	Very low	46.5	Very low	82 Å²	82	128.9 Å²	128.9	85%	0.845	68%	0.679	S	S	*	*			trans	-70.8	87.9	162.5	0	0	0	0	0	112	R35	G33-R35 PolarHBondContact O-N 3.28Å; G33-R35 VanDerWaalsContact O-N 3.16Å
34	A	37.5	Very low	48.8	Very low	83 Å²	83	129.3 Å²	129.3	69%	0.686	67%	0.674	S	S	*	*			trans	-50.4	121.6	169.7	0	0	0	0	0	110.6	N32 R36	N32-A34 PolarHBondContact O-N 3.28Å; A34-R36 PolarHBondContact O-N 3.33Å
35	R	53.2	Low	51.5	Low	204 Å²	204	120.3 Å²	120.3	77%	0.77	64%	0.637	S	S	*	*			trans	-46.5	92.5	179.8	-65.7	173.5	175.6	177.5	-5.3	112.1	G33 G176	G33-R35 PolarHBondContact O-N 3.28Å; G33-R35 VanDerWaalsContact O-N 3.16Å; R35-G176 PolarHBondContact NH2-O 3.48Å; R35-G176 VanDerWaalsContact NH2-O 3.07Å
36	R	58.6	Low	54.1	Low	200 Å²	200	116.2 Å²	116.2	76%	0.755	62%	0.619	S	S	*	*			trans	-79.1	122.9	176.4	-70.1	-172.8	-176.1	-175.2	3	109.9	A34 R38	A34-R36 PolarHBondContact O-N 3.33Å; R36-R38 PolarHBondContact O-N 3.29Å
37	R	75.8	Confident	56.4	Low	144 Å²	144	123.1 Å²	123.1	54%	0.543	63%	0.626	S	S	.	*			trans	-62.9	121	170	-68.2	177.2	-178	168.1	4.4	109.5	P45 P117 H118	R37-P45 HydrophobicContact CB-CG 3.9Å; R37-P45 WeakPolarHBondContact O-CD 3.49Å; R37-P117 CarbonylContact C-O 3.54Å; R37-P117 WeakPolarHBondContact CA-O 3.44Å; R37-P117 HydrophobicContact CB-CB 4.47Å; R37-P117 WeakPolarHBondContact CB-O 3.3Å; R37-P117 HydrophobicContact CG-CB 4.44Å; R37-H118 VanDerWaalsContact CG-CE1 3.47Å; R37-H118 WeakPolarHBondContact CG-CE1 3.33Å
38	R	80.1	Confident	58.5	Low	103 Å²	103	115 Å²	115	39%	0.389	59%	0.588	S	S	.	*			trans	-142	139.5	179.7	-70.9	-171.6	-176	-109.2	14.4	110.4	R36 G42 P117 Q120	R36-R38 PolarHBondContact O-N 3.29Å; R38-G42 PolarHBondContact NH1-O 3.17Å; R38-P117 PolarHBondContact N-O 3.2Å; R38-Q120 HydrophobicContact CB-CB 4.09Å; R38-Q120 WeakPolarHBondContact O-CB 3.36Å; R38-Q120 PolarHBondContact O-N 3.31Å; R38-Q120 VanDerWaalsContact O-N 3.17Å
39	C	81	Confident	60.1	Low	8 Å²	8	110.9 Å²	110.9	5%	0.054	58%	0.577	C	S	.	*			trans	-75.8	162.3	172.5	-56.3	0	0	0	0	110.9	N41 G42 N43 C78 S119 Q120	C39-N41 VanDerWaalsContact CB-OD1 3.27Å; C39-N41 WeakPolarHBondContact CB-OD1 2.97Å; C39-N41 PolarHBondContact O-N 2.92Å; C39-G42 WeakPolarHBondContact O-CA 3.19Å; C39-G42 PolarHBondContact O-N 2.93Å; C39-N43 PolarHBondContact N-O 2.02Å; C39-C78 WeakPolarHBondContact CA-SG 3.35Å; C39-C78 HydrophobicContact CB-CB 3.69Å; C39-C78 WeakPolarHBondContact CB-SG 3.4Å; C39-C78 WeakPolarHBondContact SG-CA 2.98Å; C39-C78 WeakPolarHBondContact SG-CB 3.48Å; C39-C78 CovalentContact SG-SG 2.02Å; C39-C78 PolarHBondContact SG-SG 3.31Å; C39-S119 WeakPolarHBondContact CA-OG 3.32Å; C39-Q120 WeakPolarHBondContact O-CB 3.27Å
40	L	78.4	Confident	61.4	Low	82 Å²	82	114.8 Å²	114.8	43%	0.429	57%	0.573	S	S	.	*	T	Hydrogen-bonded Turn	trans	-45.3	-38.6	175.3	-89.4	136.8	0	0	0	114	G42 P114 S119 F123	L40-G42 PolarHBondContact O-N 3.29Å; L40-P114 HydrophobicContact CD1-CB 3.71Å; L40-P114 HydrophobicContact CD1-CG 4.47Å; L40-S119 PolarHBondContact N-OG 2.79Å; L40-F123 HydrophobicContact CD1-CD2 3.88Å; L40-F123 HydrophobicContact CD1-CE2 4.14Å; L40-F123 HydrophobicContact CD2-CB 3.75Å; L40-F123 HydrophobicContact CD2-CD2 3.99Å; L40-F123 HydrophobicContact CD2-CG 4Å; L40-F123 HydrophobicContact CG-CD2 4.11Å
41	N	73.9	Confident	62.3	Low	115 Å²	115	116.5 Å²	116.5	62%	0.615	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	9.2	177.7	62.9	2.8	0	0	0	114.6	C39 N43	C39-N41 VanDerWaalsContact CB-OD1 3.27Å; C39-N41 WeakPolarHBondContact CB-OD1 2.97Å; C39-N41 PolarHBondContact O-N 2.92Å; N41-N43 VanDerWaalsContact C-N 3.25Å; N41-N43 PolarHBondContact ND2-ND2 3.08Å; N41-N43 PolarHBondContact O-N 3.06Å; N41-N43 WeakPolarHBondContact OD1-CB 3.22Å; N41-N43 PolarHBondContact OD1-N 2.99Å
42	G	68.5	Low	63.5	Low	20 Å²	20	115.3 Å²	115.3	21%	0.206	55%	0.549	C	S	.	.	S	Bend	trans	79.8	-7	179.1	0	0	0	0	0	115.7	R38 C39 L40	R38-G42 PolarHBondContact NH1-O 3.17Å; C39-G42 WeakPolarHBondContact O-CA 3.19Å; C39-G42 PolarHBondContact O-N 2.93Å; L40-G42 PolarHBondContact O-N 3.29Å
43	N	76.9	Confident	64.5	Low	91 Å²	91	112.1 Å²	112.1	49%	0.487	52%	0.524	S	S	.	.	P	Polyproline II helix	trans	-76.4	153.8	-179.3	-71.2	-44.7	0	0	0	112.6	C39 N41	C39-N43 PolarHBondContact N-O 2.02Å; N41-N43 VanDerWaalsContact C-N 3.25Å; N41-N43 PolarHBondContact ND2-ND2 3.08Å; N41-N43 PolarHBondContact O-N 3.06Å; N41-N43 WeakPolarHBondContact OD1-CB 3.22Å; N41-N43 PolarHBondContact OD1-N 2.99Å
44	P	76.4	Confident	65.2	Low	96 Å²	96	117.1 Å²	117.1	62%	0.623	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-69	143	171.6	29.3	-33.8	0	0	0	110.8
45	P	80.8	Confident	65.5	Low	25 Å²	25	118.8 Å²	118.8	16%	0.162	51%	0.512	C	S	.	.	P	Polyproline II helix	trans	-69	147.9	-179.5	31.4	-37.9	0	0	0	111.5	R37 V76 P117	R37-P45 HydrophobicContact CB-CG 3.9Å; R37-P45 WeakPolarHBondContact O-CD 3.49Å; P45-V76 HydrophobicContact CB-CG1 3.53Å; P45-V76 HydrophobicContact CG-CG1 3.56Å; P45-P117 HydrophobicContact CB-CB 4.21Å; P45-P117 HydrophobicContact CG-CB 4.11Å
46	K	77.2	Confident	65.2	Low	128 Å²	128	112 Å²	112	56%	0.557	49%	0.49	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.7	142.8	-173.3	-68	179.8	-179.9	175.7	0	111.2	V76 S77 L80	K46-V76 WeakPolarHBondContact O-CA 3.49Å; K46-S77 PolarHBondContact N-O 3.33Å; K46-S77 PolarHBondContact O-N 3.05Å; K46-S77 VanDerWaalsContact O-N 3.1Å; K46-L80 HydrophobicContact CD-CD1 3.46Å; K46-L80 VanDerWaalsContact CD-CD1 3.46Å; K46-L80 HydrophobicContact CD-CD2 4.23Å; K46-L80 HydrophobicContact CD-CG 3.97Å; K46-L80 VanDerWaalsContact NZ-CD1 3.29Å
47	R	74.1	Confident	64.3	Low	209 Å²	209	106.4 Å²	106.4	79%	0.789	48%	0.481	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	122.5	176.6	-167.8	177.6	-175.7	-178.8	1.5	110.2
48	L	67.8	Low	62.6	Low	28 Å²	28	106.6 Å²	106.6	15%	0.147	49%	0.488	C	S	.	.	P	Polyproline II helix	trans	-76.1	133.3	-177.3	-61.1	173.3	0	0	0	111.5	R53 R75 L80	L48-R53 PolarHBondContact O-NH2 3.36Å; L48-R75 PolarHBondContact N-O 3.33Å; L48-R75 VanDerWaalsContact N-O 3.09Å; L48-L80 HydrophobicContact CD2-CD2 4.3Å
49	K	62.9	Low	60.6	Low	158 Å²	158	106.1 Å²	106.1	69%	0.687	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-80.1	159.2	-176.9	-69.2	-178.6	179.4	175.6	0	111.1	R51 D52 R53	K49-R51 PolarHBondContact O-N 3.33Å; K49-D52 WeakPolarHBondContact CB-OD2 3.34Å; K49-D52 PolarHBondContact N-OD2 3.35Å; K49-D52 VanDerWaalsContact N-OD2 3.1Å; K49-D52 WeakPolarHBondContact O-CB 3.42Å; K49-D52 PolarHBondContact O-N 2.92Å; K49-D52 VanDerWaalsContact O-N 3.09Å; K49-R53 PolarHBondContact O-N 3Å
50	R	51.5	Low	58.6	Low	202 Å²	202	113.8 Å²	113.8	76%	0.762	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-23	-172.2	-147.9	179.8	-173.1	-176	2.2	114
51	R	50.7	Low	56.7	Low	228 Å²	228	117.2 Å²	117.2	86%	0.86	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-41.7	173.3	-117.6	-179.2	-179.5	179.5	-0.5	111.1	K49 R53 R54	K49-R51 PolarHBondContact O-N 3.33Å; R51-R53 VanDerWaalsContact C-N 3.28Å; R51-R53 PolarHBondContact O-N 3.35Å; R51-R54 PolarHBondContact O-N 3.12Å
52	D	50.3	Low	54.9	Low	46 Å²	46	119 Å²	119	25%	0.246	56%	0.555	C	S	.	*	H	α-helix	trans	-67.9	-28.7	-179.9	-41.9	-27.2	0	0	0	111.9	K49	K49-D52 WeakPolarHBondContact CB-OD2 3.34Å; K49-D52 PolarHBondContact N-OD2 3.35Å; K49-D52 VanDerWaalsContact N-OD2 3.1Å; K49-D52 WeakPolarHBondContact O-CB 3.42Å; K49-D52 PolarHBondContact O-N 2.92Å; K49-D52 VanDerWaalsContact O-N 3.09Å
53	R	50.7	Low	53.2	Low	103 Å²	103	122.5 Å²	122.5	39%	0.389	58%	0.576	S	S	.	*	H	α-helix	trans	-72.5	-26.5	175.7	-63.5	-178.1	-169.1	-177.1	0.9	114.3	L48 K49 R51	L48-R53 PolarHBondContact O-NH2 3.36Å; K49-R53 PolarHBondContact O-N 3Å; R51-R53 VanDerWaalsContact C-N 3.28Å; R51-R53 PolarHBondContact O-N 3.35Å
54	R	43.4	Very low	51.3	Low	186 Å²	186	122.2 Å²	122.2	70%	0.702	60%	0.595	S	S	*	*	H	α-helix	trans	-84.1	-27.3	-177.8	-81.8	-175.1	178.5	178.4	-1.7	112.8	R51 M56	R51-R54 PolarHBondContact O-N 3.12Å; R54-M56 VanDerWaalsContact C-N 3.25Å; R54-M56 PolarHBondContact O-N 3.23Å
55	M	43.3	Very low	49.6	Very low	118 Å²	118	120.9 Å²	120.9	58%	0.581	60%	0.598	S	S	*	*	H	α-helix	trans	-72.5	-21.2	178.1	-130.4	-179.6	162.2	0	0	112.5	L59	M55-L59 WeakPolarHBondContact O-CD1 3.37Å
56	M	47.3	Very low	47.8	Very low	63 Å²	63	127.4 Å²	127.4	31%	0.31	63%	0.626	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.9	-20.3	-179.9	-69.7	-163.2	68.8	0	0	114.8	R54 Q58 L68 G70	R54-M56 VanDerWaalsContact C-N 3.25Å; R54-M56 PolarHBondContact O-N 3.23Å; M56-Q58 VanDerWaalsContact C-N 3.35Å; M56-L68 HydrophobicContact CE-CB 3.77Å; M56-L68 HydrophobicContact CE-CD1 4.45Å; M56-G70 VanDerWaalsContact CE-C 3.46Å
57	S	40	Very low	46.6	Very low	81 Å²	81	124.2 Å²	124.2	57%	0.566	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	-11.6	176.2	80.4	0	0	0	0	113.5
58	Q	38.5	Very low	46	Very low	148 Å²	148	118.6 Å²	118.6	69%	0.692	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	-19.1	178.5	-80.1	-176.2	-30.5	0	0	113.2	M56	M56-Q58 VanDerWaalsContact C-N 3.35Å
59	L	39.6	Very low	45.9	Very low	94 Å²	94	118.7 Å²	118.7	49%	0.492	60%	0.603	S	S	.	*	G	3₁₀ helix	trans	-84.8	-13.8	178.3	-99.4	99.3	0	0	0	114.5	M55 L61 L62 L68	M55-L59 WeakPolarHBondContact O-CD1 3.37Å; L59-L61 PolarHBondContact O-N 2.98Å; L59-L61 VanDerWaalsContact O-N 3.14Å; L59-L62 PolarHBondContact O-N 2.95Å; L59-L68 HydrophobicContact CB-CD1 4.45Å; L59-L68 HydrophobicContact CD2-CD1 4.39Å
60	E	38.9	Very low	45.8	Very low	169 Å²	169	112.1 Å²	112.1	79%	0.79	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-64.8	-14.1	176.8	-75.7	-176.1	163.1	0	0	113.6
61	L	37.3	Very low	46.4	Very low	154 Å²	154	105 Å²	105	81%	0.806	57%	0.57	S	S	*	*	G	3₁₀ helix	trans	-98.2	-3.2	-179.8	-91	111.5	0	0	0	115.3	L59	L59-L61 PolarHBondContact O-N 2.98Å; L59-L61 VanDerWaalsContact O-N 3.14Å
62	L	36.8	Very low	47.2	Very low	153 Å²	153	96.7 Å²	96.7	80%	0.801	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.8	2	-166.4	-80.3	167.7	0	0	0	118	L59	L59-L62 PolarHBondContact O-N 2.95Å
63	S	32.9	Very low	48.3	Very low	93 Å²	93	95.2 Å²	95.2	65%	0.65	53%	0.53	S	S	*	.			trans	-148.2	111	171	-157.1	0	0	0	0	112.4	G65	S63-G65 PolarHBondContact O-N 3.41Å
64	G	37	Very low	49	Very low	85 Å²	85	93.7 Å²	93.7	88%	0.876	53%	0.534	S	S	*	.	S	Bend	trans	-68.2	118.4	159.7	0	0	0	0	0	108.3
65	G	40.8	Very low	50.2	Low	67 Å²	67	93.5 Å²	93.5	69%	0.691	53%	0.534	S	S	*	.	S	Bend	trans	146.4	-21.9	161.2	0	0	0	0	0	118.2	S63	S63-G65 PolarHBondContact O-N 3.41Å
66	E	43.7	Very low	51.8	Low	162 Å²	162	89.5 Å²	89.5	76%	0.757	52%	0.516	S	S	*	.			trans	-129.5	119.4	-174.8	-74.6	-176.3	158.2	0	0	112.4	L68	E66-L68 PolarHBondContact O-N 3.37Å; E66-L68 VanDerWaalsContact O-N 3.11Å
67	I	51.7	Low	53.3	Low	61 Å²	61	86.8 Å²	86.8	31%	0.313	50%	0.503	S	S	.	.			trans	-72.6	103.4	169.9	-59.8	-178.1	0	0	0	107.7	C69 F72 E108 E109	I67-C69 PolarHBondContact O-N 2.87Å; I67-C69 VanDerWaalsContact O-N 3.08Å; I67-F72 HydrophobicContact CG2-CD2 4.28Å; I67-F72 HydrophobicContact CG2-CE2 3.33Å; I67-F72 HydrophobicContact CG2-CZ 3.64Å; I67-E108 HydrophobicContact CB-CB 4.46Å; I67-E108 HydrophobicContact CD1-CB 3.65Å; I67-E108 HydrophobicContact CG1-CB 4.11Å; I67-E109 HydrophobicContact CD1-CG 4.3Å
68	L	60.8	Low	55.2	Low	92 Å²	92	84.6 Å²	84.6	48%	0.482	49%	0.487	S	S	.	.			trans	-67.6	108	169.7	-74.4	161.9	0	0	0	108.6	M56 L59 E66 G70 G71	M56-L68 HydrophobicContact CE-CB 3.77Å; M56-L68 HydrophobicContact CE-CD1 4.45Å; L59-L68 HydrophobicContact CB-CD1 4.45Å; L59-L68 HydrophobicContact CD2-CD1 4.39Å; E66-L68 PolarHBondContact O-N 3.37Å; E66-L68 VanDerWaalsContact O-N 3.11Å; L68-G70 PolarHBondContact O-N 3.44Å; L68-G71 PolarHBondContact O-N 3.08Å
69	C	65.8	Low	57.1	Low	30 Å²	30	79.2 Å²	79.2	20%	0.203	47%	0.466	C	S	.	.	G	3₁₀ helix	trans	-52.5	-17.8	179.8	-57.3	0	0	0	0	114.8	I67 G71 F72 Y73 C112 C115	I67-C69 PolarHBondContact O-N 2.87Å; I67-C69 VanDerWaalsContact O-N 3.08Å; C69-G71 PolarHBondContact O-N 3.17Å; C69-F72 PolarHBondContact O-N 3.34Å; C69-Y73 PolarHBondContact O-N 3.12Å; C69-C112 WeakPolarHBondContact CA-SG 3.41Å; C69-C112 HydrophobicContact CB-CB 3.63Å; C69-C112 WeakPolarHBondContact CB-SG 3.47Å; C69-C112 WeakPolarHBondContact SG-CA 3.33Å; C69-C112 WeakPolarHBondContact SG-CB 3.45Å; C69-C112 CovalentContact SG-SG 2.04Å; C69-C112 PolarHBondContact SG-SG 3.28Å; C69-C115 HydrophobicContact CB-CB 4.25Å
70	G	61.9	Low	58	Low	19 Å²	19	78.5 Å²	78.5	20%	0.196	46%	0.462	C	S	.	.	G	3₁₀ helix	trans	-64.9	-18.5	172.2	0	0	0	0	0	114.6	M56 L68 F72 Y73 P74	M56-G70 VanDerWaalsContact CE-C 3.46Å; L68-G70 PolarHBondContact O-N 3.44Å; G70-F72 VanDerWaalsContact C-N 3.35Å; G70-Y73 CarbonylContact O-C 3.43Å; G70-P74 WeakPolarHBondContact O-CA 3.42Å
71	G	63.6	Low	58.7	Low	54 Å²	54	75.9 Å²	75.9	56%	0.557	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-65.9	-35.5	170.1	0	0	0	0	0	112.7	L68 C69	L68-G71 PolarHBondContact O-N 3.08Å; C69-G71 PolarHBondContact O-N 3.17Å
72	F	67	Low	59.2	Low	52 Å²	52	74.6 Å²	74.6	23%	0.228	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-29.9	177.3	-57.5	-51.8	0	0	0	112.8	I67 C69 G70 P74 E109 C112 F183	I67-F72 HydrophobicContact CG2-CD2 4.28Å; I67-F72 HydrophobicContact CG2-CE2 3.33Å; I67-F72 HydrophobicContact CG2-CZ 3.64Å; C69-F72 PolarHBondContact O-N 3.34Å; G70-F72 VanDerWaalsContact C-N 3.35Å; F72-P74 VanDerWaalsContact C-CD 3.49Å; F72-P74 WeakPolarHBondContact O-CD 3.45Å; F72-E109 HydrophobicContact CE2-CG 4.11Å; F72-E109 HydrophobicContact CZ-CG 3.79Å; F72-C112 HydrophobicContact CD2-CB 3.97Å; F72-C112 HydrophobicContact CE2-CB 4.33Å; F72-F183 HydrophobicContact CB-CD1 4.12Å; F72-F183 HydrophobicContact CB-CD2 4.44Å; F72-F183 HydrophobicContact CB-CE1 4.4Å; F72-F183 HydrophobicContact CB-CG 4.14Å; F72-F183 AromaticContact CD1-CD2 3.7Å; F72-F183 HydrophobicContact CD1-CD2 3.7Å; F72-F183 HydrophobicContact CD1-CE1 4.29Å; F72-F183 AromaticContact CD1-CE2 3.44Å; F72-F183 HydrophobicContact CD1-CE2 3.44Å; F72-F183 VanDerWaalsContact CD1-CE2 3.44Å; F72-F183 HydrophobicContact CD1-CG 4.23Å; F72-F183 AromaticContact CD1-CZ 3.77Å; F72-F183 HydrophobicContact CD1-CZ 3.77Å; F72-F183 HydrophobicContact CD2-CE1 4.42Å; F72-F183 HydrophobicContact CD2-CZ 4.35Å; F72-F183 HydrophobicContact CE1-CD2 4.3Å; F72-F183 AromaticContact CE1-CE2 3.61Å; F72-F183 HydrophobicContact CE1-CE2 3.61Å; F72-F183 AromaticContact CE1-CZ 3.87Å; F72-F183 HydrophobicContact CE1-CZ 3.87Å; F72-F183 HydrophobicContact CE2-CZ 4.4Å; F72-F183 HydrophobicContact CG-CD1 4.32Å; F72-F183 HydrophobicContact CG-CD2 4.28Å; F72-F183 HydrophobicContact CG-CE1 4.14Å; F72-F183 HydrophobicContact CG-CE2 4.11Å; F72-F183 HydrophobicContact CG-CG 4.38Å; F72-F183 HydrophobicContact CG-CZ 4.03Å; F72-F183 HydrophobicContact CZ-CE2 4.37Å; F72-F183 HydrophobicContact CZ-CZ 4.2Å
73	Y	73.9	Confident	59.4	Low	15 Å²	15	72.6 Å²	72.6	6%	0.059	44%	0.443	C	S	.	.			trans	-127.4	65.6	-176.2	-49.6	-69.3	0	0	0	113.9	C69 G70 R75 C115 P117 D182 F183	C69-Y73 PolarHBondContact O-N 3.12Å; G70-Y73 CarbonylContact O-C 3.43Å; Y73-R75 VanDerWaalsContact C-N 3.32Å; Y73-R75 PolarHBondContact O-N 3.17Å; Y73-C115 HydrophobicContact CD2-CB 4.22Å; Y73-C115 HydrophobicContact CE2-CB 4.33Å; Y73-P117 HydrophobicContact CD1-CG 4.38Å; Y73-D182 PolarHBondContact OH-OD1 3.34Å; Y73-F183 HydrophobicContact CE1-CB 4.37Å; Y73-F183 HydrophobicContact CE1-CD1 4.35Å
74	P	64.6	Low	60.2	Low	72 Å²	72	74.1 Å²	74.1	47%	0.468	45%	0.454	S	S	.	.	S	Bend	trans	-75.8	-13.1	-168.3	28.8	-37	0	0	0	115.3	G70 F72	G70-P74 WeakPolarHBondContact O-CA 3.42Å; F72-P74 VanDerWaalsContact C-CD 3.49Å; F72-P74 WeakPolarHBondContact O-CD 3.45Å
75	R	68.8	Low	60.3	Low	182 Å²	182	75.2 Å²	75.2	69%	0.687	45%	0.446	S	S	*	.	S	Bend	trans	-108.6	-42.7	-174.4	-67.7	-176.6	178.6	-176.6	0.9	113	L48 Y73	L48-R75 PolarHBondContact N-O 3.33Å; L48-R75 VanDerWaalsContact N-O 3.09Å; Y73-R75 VanDerWaalsContact C-N 3.32Å; Y73-R75 PolarHBondContact O-N 3.17Å
76	V	76.2	Confident	60.1	Low	34 Å²	34	75.4 Å²	75.4	21%	0.206	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	126.2	-172.2	177.8	0	0	0	0	106.7	P45 K46 P117	P45-V76 HydrophobicContact CB-CG1 3.53Å; P45-V76 HydrophobicContact CG-CG1 3.56Å; K46-V76 WeakPolarHBondContact O-CA 3.49Å; V76-P117 HydrophobicContact CG1-CB 4.45Å; V76-P117 HydrophobicContact CG1-CG 4.31Å; V76-P117 WeakPolarHBondContact O-CG 3.49Å
77	S	79.8	Confident	59.7	Low	6 Å²	6	73.1 Å²	73.1	4%	0.042	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	152.8	-176.8	178.3	0	0	0	0	110.5	K46 C79 C115	K46-S77 PolarHBondContact N-O 3.33Å; K46-S77 PolarHBondContact O-N 3.05Å; K46-S77 VanDerWaalsContact O-N 3.1Å; S77-C79 PolarHBondContact OG-N 3.14Å; S77-C79 PolarHBondContact OG-O 3.01Å; S77-C115 PolarHBondContact OG-O 3.1Å
78	C	80.9	Confident	59	Low	34 Å²	34	73.5 Å²	73.5	23%	0.23	46%	0.459	C	S	.	.	S	Bend	trans	-83.5	-17.4	169.9	-73.1	0	0	0	0	113.1	C39 C115 S116	C39-C78 WeakPolarHBondContact CA-SG 3.35Å; C39-C78 HydrophobicContact CB-CB 3.69Å; C39-C78 WeakPolarHBondContact CB-SG 3.4Å; C39-C78 WeakPolarHBondContact SG-CA 2.98Å; C39-C78 WeakPolarHBondContact SG-CB 3.48Å; C39-C78 CovalentContact SG-SG 2.02Å; C39-C78 PolarHBondContact SG-SG 3.31Å; C78-C115 PolarHBondContact N-O 3.03Å; C78-S116 PolarHBondContact SG-O 3.04Å
79	C	76.5	Confident	57.9	Low	36 Å²	36	81 Å²	81	24%	0.243	48%	0.481	C	S	.	.			trans	-98.5	136.6	174.8	-59.9	0	0	0	0	110.5	S77 C115	S77-C79 PolarHBondContact OG-N 3.14Å; S77-C79 PolarHBondContact OG-O 3.01Å; C79-C115 HydrophobicContact CB-CB 3.78Å; C79-C115 WeakPolarHBondContact CB-SG 3.29Å; C79-C115 WeakPolarHBondContact SG-CA 3.49Å; C79-C115 WeakPolarHBondContact SG-CB 3.46Å; C79-C115 CovalentContact SG-SG 2.04Å; C79-C115 PolarHBondContact SG-SG 3.26Å
80	L	60	Low	56.6	Low	78 Å²	78	86.8 Å²	86.8	41%	0.408	51%	0.509	S	S	.	.			trans	-105.2	154.7	169.6	-78.9	169.9	0	0	0	109.6	K46 L48 S82 D83	K46-L80 HydrophobicContact CD-CD1 3.46Å; K46-L80 VanDerWaalsContact CD-CD1 3.46Å; K46-L80 HydrophobicContact CD-CD2 4.23Å; K46-L80 HydrophobicContact CD-CG 3.97Å; K46-L80 VanDerWaalsContact NZ-CD1 3.29Å; L48-L80 HydrophobicContact CD2-CD2 4.3Å; L80-S82 PolarHBondContact O-N 3.1Å; L80-D83 PolarHBondContact O-N 3.46Å
81	Q	53.3	Low	55.9	Low	115 Å²	115	88.5 Å²	88.5	54%	0.537	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-34.4	126.3	177.3	-97.2	175.5	-31	0	0	112.9	D83	Q81-D83 PolarHBondContact O-N 3.01Å
82	S	47.3	Very low	54.9	Low	127 Å²	127	93.1 Å²	93.1	89%	0.888	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	-4.1	172.7	57.3	0	0	0	0	119.1	L80 S84	L80-S82 PolarHBondContact O-N 3.1Å; S82-S84 PolarHBondContact O-N 3.02Å
83	D	40.6	Very low	53.9	Low	110 Å²	110	100 Å²	100	59%	0.588	55%	0.554	S	S	*	*			trans	-89.1	100.9	164.8	-73	-29.1	0	0	0	107.9	L80 Q81 P85	L80-D83 PolarHBondContact O-N 3.46Å; Q81-D83 PolarHBondContact O-N 3.01Å; D83-P85 VanDerWaalsContact C-CD 3.47Å; D83-P85 HydrophobicContact CB-CG 4.05Å; D83-P85 WeakPolarHBondContact O-CD 3.39Å
84	S	50.4	Low	52.9	Low	125 Å²	125	101.8 Å²	101.8	87%	0.874	56%	0.564	S	S	*	*			trans	-81.9	93.4	144	-62.7	0	0	0	0	106.1	S82	S82-S84 PolarHBondContact O-N 3.02Å
85	P	38.2	Very low	52.3	Low	108 Å²	108	99.8 Å²	99.8	70%	0.701	55%	0.548	S	S	*	.			trans	-103.3	105.3	179.9	30.2	-10.1	0	0	0	108.3	D83	D83-P85 VanDerWaalsContact C-CD 3.47Å; D83-P85 HydrophobicContact CB-CG 4.05Å; D83-P85 WeakPolarHBondContact O-CD 3.39Å
86	G	37.7	Very low	51.4	Low	71 Å²	71	95.7 Å²	95.7	73%	0.732	55%	0.547	S	S	*	.	S	Bend	trans	88.8	63.3	145.4	0	0	0	0	0	117
87	L	35.8	Very low	50.2	Low	114 Å²	114	98.2 Å²	98.2	60%	0.597	57%	0.566	S	S	*	*				-124.5	64.2	127.7	-152.2	78.4	0	0	0	108.9	R89 E91	L87-R89 PolarHBondContact O-N 3.36Å; L87-E91 HydrophobicContact CD2-CG 3.84Å; L87-E91 WeakPolarHBondContact CD2-OE2 3.25Å
88	G	37.1	Very low	49.1	Very low	69 Å²	69	99.3 Å²	99.3	71%	0.711	57%	0.573	S	S	*	*			trans	-63.2	124.7	167.2	0	0	0	0	0	109.6
89	R	37.5	Very low	48	Very low	250 Å²	250	105.9 Å²	105.9	94%	0.943	61%	0.605	S	S	*	*	S	Bend	trans	95.1	5.5	153.5	-70.7	-174.4	168.3	-158.6	-2.5	121.7	L87	L87-R89 PolarHBondContact O-N 3.36Å
90	L	38.5	Very low	47.6	Very low	151 Å²	151	106.4 Å²	106.4	79%	0.791	61%	0.606	S	S	*	*	S	Bend	trans	-124.3	-5.6	173.8	-140.5	73.2	0	0	0	117.7
91	E	45.9	Very low	48.1	Very low	55 Å²	55	107.9 Å²	107.9	26%	0.257	62%	0.618	S	S	.	*	S	Bend	trans	-114.9	-8.9	-170.9	-81.3	-174.4	160.4	0	0	116.6	L87 K93 I94 F95	L87-E91 HydrophobicContact CD2-CG 3.84Å; L87-E91 WeakPolarHBondContact CD2-OE2 3.25Å; E91-K93 PolarHBondContact O-N 3.04Å; E91-K93 VanDerWaalsContact O-N 3.08Å; E91-I94 PolarHBondContact O-N 2.04Å; E91-F95 HydrophobicContact CB-CD2 4.08Å; E91-F95 HydrophobicContact CB-CE2 4.32Å; E91-F95 HydrophobicContact CG-CD2 4.3Å; E91-F95 HydrophobicContact CG-CE2 4.03Å
92	N	43.6	Very low	49.1	Very low	152 Å²	152	108.3 Å²	108.3	81%	0.813	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	-2.7	-177.8	-78.5	1.5	0	0	0	114.8
93	K	46.3	Very low	50.6	Low	196 Å²	196	102.3 Å²	102.3	85%	0.852	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.4	-23.6	174.6	-89.6	-175.4	175.2	-179	0	114.4	E91	E91-K93 PolarHBondContact O-N 3.04Å; E91-K93 VanDerWaalsContact O-N 3.08Å
94	I	51.9	Low	52.2	Low	52 Å²	52	98 Å²	98	27%	0.267	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.7	-30.4	-173.8	-60	175.9	0	0	0	111.3	E91 L135 I156	E91-I94 PolarHBondContact O-N 2.04Å; I94-L135 HydrophobicContact CD1-CD1 4.12Å; I94-L135 HydrophobicContact CD1-CG 4.24Å; I94-L135 HydrophobicContact CG2-CD1 4.33Å; I94-L135 HydrophobicContact CG2-CD2 4.03Å; I94-L135 HydrophobicContact CG2-CG 4.27Å; I94-I156 HydrophobicContact CG2-CG2 4Å
95	F	52.2	Low	53.4	Low	30 Å²	30	98.1 Å²	98.1	13%	0.132	55%	0.545	C	S	.	.	S	Bend	trans	-110.3	13.2	-171.5	-58.6	-61	0	0	0	115.3	E91 L107 L135	E91-F95 HydrophobicContact CB-CD2 4.08Å; E91-F95 HydrophobicContact CB-CE2 4.32Å; E91-F95 HydrophobicContact CG-CD2 4.3Å; E91-F95 HydrophobicContact CG-CE2 4.03Å; F95-L107 HydrophobicContact CD1-CD1 3.91Å; F95-L107 HydrophobicContact CD1-CD2 3.25Å; F95-L107 HydrophobicContact CD1-CG 4.09Å; F95-L107 HydrophobicContact CE1-CD2 3.26Å; F95-L107 HydrophobicContact CG-CD2 4.44Å; F95-L107 HydrophobicContact CZ-CD2 4.46Å; F95-L135 HydrophobicContact CE1-CD2 4.01Å; F95-L135 HydrophobicContact CZ-CD2 3.72Å
96	S	49.3	Very low	55.2	Low	96 Å²	96	93.4 Å²	93.4	67%	0.671	51%	0.514	S	S	*	.	S	Bend	trans	-110.6	-1.4	-176.5	123	0	0	0	0	114.9
97	S	52.2	Low	57.1	Low	87 Å²	87	90.2 Å²	90.2	61%	0.608	48%	0.48	S	S	*	.			trans	-133.5	56	-171.5	68.6	0	0	0	0	113.4
98	T	56	Low	58.9	Low	29 Å²	29	87.5 Å²	87.5	18%	0.178	46%	0.464	C	S	.	.			trans	-119.1	114.1	170	68	0	0	0	0	110.2	N100 L107 H155	T98-N100 PolarHBondContact O-N 3.06Å; T98-L107 HydrophobicContact CG2-CD1 4.27Å; T98-H155 HydrophobicContact CG2-CB 3.7Å
99	N	58.6	Low	60.9	Low	172 Å²	172	85.5 Å²	85.5	92%	0.92	44%	0.436	S	S	*	.			trans	-71.7	-3.5	172.2	-72.1	-6.4	0	0	0	112.8
100	N	67.8	Low	62.8	Low	48 Å²	48	74.2 Å²	74.2	26%	0.257	39%	0.394	S	S	.	.			trans	-87.8	117.9	179.1	-173.9	-23.2	0	0	0	110.6	T98 E102 C103 G104 H155	T98-N100 PolarHBondContact O-N 3.06Å; N100-E102 VanDerWaalsContact C-N 3.3Å; N100-E102 PolarHBondContact O-N 2.68Å; N100-E102 PolarHBondContact OD1-N 3.14Å; N100-C103 HydrophobicContact CB-CB 4.27Å; N100-C103 PolarHBondContact OD1-N 3.32Å; N100-G104 PolarHBondContact O-N 3.22Å; N100-H155 VanDerWaalsContact CB-NE2 3.33Å; N100-H155 WeakPolarHBondContact CB-NE2 3.49Å; N100-H155 PolarHBondContact ND2-NE2 3.1Å
101	T	70.3	Confident	64.7	Low	108 Å²	108	71.6 Å²	71.6	66%	0.663	38%	0.377	S	S	*	.	H	α-helix	trans	-70.1	-23.5	-177.6	54.9	0	0	0	0	113.3	K105	T101-K105 WeakPolarHBondContact O-CD 3.43Å; T101-K105 VanDerWaalsContact O-CG 3.25Å; T101-K105 WeakPolarHBondContact O-CG 3.29Å; T101-K105 PolarHBondContact O-N 3.2Å
102	E	73.5	Confident	66.3	Low	125 Å²	125	69 Å²	69	58%	0.584	37%	0.365	S	S	*	.	H	α-helix	trans	-82.5	-47.3	177.8	-63.9	-163.7	156.4	0	0	111.7	N100 G104 K105 L106 T151	N100-E102 VanDerWaalsContact C-N 3.3Å; N100-E102 PolarHBondContact O-N 2.68Å; N100-E102 PolarHBondContact OD1-N 3.14Å; E102-G104 VanDerWaalsContact C-N 3.3Å; E102-G104 PolarHBondContact O-N 3.36Å; E102-K105 PolarHBondContact O-N 3.1Å; E102-L106 PolarHBondContact O-N 3.34Å; E102-T151 HydrophobicContact CB-CG2 3.94Å
103	C	79.3	Confident	68	Low	0 Å²	0	61.8 Å²	61.8	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-61.9	-40.2	174.4	179.7	0	0	0	0	111.3	N100 K105 L106 L107 T151 C152	N100-C103 HydrophobicContact CB-CB 4.27Å; N100-C103 PolarHBondContact OD1-N 3.32Å; C103-K105 VanDerWaalsContact C-N 3.3Å; C103-K105 PolarHBondContact O-N 3.09Å; C103-L106 PolarHBondContact O-N 3.37Å; C103-L107 WeakPolarHBondContact O-CG 3.04Å; C103-L107 PolarHBondContact O-N 3.16Å; C103-T151 HydrophobicContact CB-CG2 4.21Å; C103-C152 WeakPolarHBondContact CA-SG 3.4Å; C103-C152 HydrophobicContact CB-CB 4.19Å; C103-C152 WeakPolarHBondContact CB-SG 3.43Å; C103-C152 WeakPolarHBondContact SG-CA 3.46Å; C103-C152 WeakPolarHBondContact SG-CB 3.24Å; C103-C152 CovalentContact SG-SG 2.05Å; C103-C152 PolarHBondContact SG-SG 3.13Å
104	G	73.8	Confident	69.6	Low	21 Å²	21	54.9 Å²	54.9	22%	0.216	30%	0.301	C	S	.	.	H	α-helix	trans	-56.5	-41.1	174.7	0	0	0	0	0	113	N100 E102 L107 E108	N100-G104 PolarHBondContact O-N 3.22Å; E102-G104 VanDerWaalsContact C-N 3.3Å; E102-G104 PolarHBondContact O-N 3.36Å; G104-L107 PolarHBondContact O-N 2.77Å; G104-E108 WeakPolarHBondContact O-CG 3.42Å; G104-E108 PolarHBondContact O-N 3.09Å
105	K	75.2	Confident	70.9	Confident	127 Å²	127	53 Å²	53	55%	0.552	29%	0.292	S	S	*	.	H	α-helix	trans	-64.4	-44	175.9	-74	168.7	-175	176.5	0	112.6	T101 E102 C103 L107 E108 E109	T101-K105 WeakPolarHBondContact O-CD 3.43Å; T101-K105 VanDerWaalsContact O-CG 3.25Å; T101-K105 WeakPolarHBondContact O-CG 3.29Å; T101-K105 PolarHBondContact O-N 3.2Å; E102-K105 PolarHBondContact O-N 3.1Å; C103-K105 VanDerWaalsContact C-N 3.3Å; C103-K105 PolarHBondContact O-N 3.09Å; K105-L107 VanDerWaalsContact C-N 3.29Å; K105-L107 PolarHBondContact O-N 3.08Å; K105-E108 PolarHBondContact O-N 3.32Å; K105-E109 WeakPolarHBondContact O-CG 3.46Å; K105-E109 PolarHBondContact O-N 3.27Å
106	L	77.7	Confident	72.3	Confident	9 Å²	9	51.5 Å²	51.5	5%	0.047	29%	0.286	C	S	.	.	H	α-helix	trans	-62.7	-39.4	177.7	-61	-175.7	0	0	0	111.6	E102 C103 E109 I110 Y144 F148 T151	E102-L106 PolarHBondContact O-N 3.34Å; C103-L106 PolarHBondContact O-N 3.37Å; L106-E109 PolarHBondContact O-N 3Å; L106-I110 WeakPolarHBondContact O-CG1 3.47Å; L106-I110 PolarHBondContact O-N 2.67Å; L106-Y144 HydrophobicContact CD2-CE2 4.24Å; L106-Y144 PolarHBondContact O-OH 2.93Å; L106-F148 HydrophobicContact CB-CD2 4.03Å; L106-F148 HydrophobicContact CB-CE2 4.4Å; L106-F148 HydrophobicContact CD1-CD2 4.28Å; L106-T151 HydrophobicContact CD1-CG2 3.97Å
107	L	76.9	Confident	73.8	Confident	4 Å²	4	47.5 Å²	47.5	2%	0.021	26%	0.258	C	S	.	.	H	α-helix	trans	-64.8	-44.2	176.2	-72.8	175.8	0	0	0	112.5	F95 T98 C103 G104 K105 E109 I110 K111 F148 I156	F95-L107 HydrophobicContact CD1-CD1 3.91Å; F95-L107 HydrophobicContact CD1-CD2 3.25Å; F95-L107 HydrophobicContact CD1-CG 4.09Å; F95-L107 HydrophobicContact CE1-CD2 3.26Å; F95-L107 HydrophobicContact CG-CD2 4.44Å; F95-L107 HydrophobicContact CZ-CD2 4.46Å; T98-L107 HydrophobicContact CG2-CD1 4.27Å; C103-L107 WeakPolarHBondContact O-CG 3.04Å; C103-L107 PolarHBondContact O-N 3.16Å; G104-L107 PolarHBondContact O-N 2.77Å; K105-L107 VanDerWaalsContact C-N 3.29Å; K105-L107 PolarHBondContact O-N 3.08Å; L107-E109 VanDerWaalsContact C-N 3.26Å; L107-E109 PolarHBondContact O-N 2.82Å; L107-I110 PolarHBondContact O-N 3.27Å; L107-K111 WeakPolarHBondContact O-CG 3.2Å; L107-K111 PolarHBondContact O-N 2.88Å; L107-K111 VanDerWaalsContact O-N 3.1Å; L107-F148 HydrophobicContact CD2-CE2 3.77Å; L107-F148 HydrophobicContact CD2-CZ 3.88Å; L107-F148 HydrophobicContact CG-CE2 4.41Å; L107-I156 HydrophobicContact CD2-CD1 4.08Å
108	E	74.3	Confident	75.3	Confident	57 Å²	57	45.5 Å²	45.5	27%	0.266	24%	0.239	S	C	.	.	H	α-helix	trans	-61.7	-33.9	174.4	-72.2	-56.7	139.3	0	0	112.3	I67 G104 K105 K111	I67-E108 HydrophobicContact CB-CB 4.46Å; I67-E108 HydrophobicContact CD1-CB 3.65Å; I67-E108 HydrophobicContact CG1-CB 4.11Å; G104-E108 WeakPolarHBondContact O-CG 3.42Å; G104-E108 PolarHBondContact O-N 3.09Å; K105-E108 PolarHBondContact O-N 3.32Å; E108-K111 IonicContact OE1-NZ 2.68Å; E108-K111 PolarHBondContact OE1-NZ 3.12Å; E108-K111 IonicContact OE2-NZ 3.83Å
109	E	77.2	Confident	76.5	Confident	26 Å²	26	44.1 Å²	44.1	12%	0.121	23%	0.23	C	C	.	.	H	α-helix	trans	-68.6	-43.2	173.6	-74.1	-176.2	-145.5	0	0	112.9	I67 F72 K105 L106 L107 K111 C112 F180 R185	I67-E109 HydrophobicContact CD1-CG 4.3Å; F72-E109 HydrophobicContact CE2-CG 4.11Å; F72-E109 HydrophobicContact CZ-CG 3.79Å; K105-E109 WeakPolarHBondContact O-CG 3.46Å; K105-E109 PolarHBondContact O-N 3.27Å; L106-E109 PolarHBondContact O-N 3Å; L107-E109 VanDerWaalsContact C-N 3.26Å; L107-E109 PolarHBondContact O-N 2.82Å; E109-K111 PolarHBondContact O-N 2.86Å; E109-C112 WeakPolarHBondContact O-CA 3.31Å; E109-C112 VanDerWaalsContact O-CB 3.3Å; E109-C112 WeakPolarHBondContact O-CB 3.04Å; E109-C112 PolarHBondContact O-N 2.82Å; E109-F180 VanDerWaalsContact O-CZ 3.27Å; E109-F180 WeakPolarHBondContact O-CZ 3.36Å; E109-R185 IonicContact OE1-CZ 3.73Å; E109-R185 IonicContact OE1-NE 2.82Å; E109-R185 IonicContact OE1-NH2 3.14Å; E109-R185 PolarHBondContact OE1-NH2 2.82Å; E109-R185 IonicContact OE2-CZ 3.68Å; E109-R185 IonicContact OE2-NE 3.76Å; E109-R185 PolarHBondContact OE2-NE 3.46Å; E109-R185 IonicContact OE2-NH2 2.8Å; E109-R185 PolarHBondContact OE2-NH2 2.8Å
110	I	79.3	Confident	77.6	Confident	13 Å²	13	39.2 Å²	39.2	7%	0.067	20%	0.202	C	C	.	.	H	α-helix	trans	-61.2	-35.3	177.9	-70.6	172.6	0	0	0	111	L106 L107 C112 A113 L137 P138 Y144 F148 F180	L106-I110 WeakPolarHBondContact O-CG1 3.47Å; L106-I110 PolarHBondContact O-N 2.67Å; L107-I110 PolarHBondContact O-N 3.27Å; I110-C112 PolarHBondContact O-N 2.52Å; I110-C112 VanDerWaalsContact O-N 3.09Å; I110-A113 WeakPolarHBondContact O-CB 3.47Å; I110-A113 PolarHBondContact O-N 2.94Å; I110-L137 HydrophobicContact CD1-CD2 4.16Å; I110-L137 HydrophobicContact CG2-CD2 3.95Å; I110-P138 HydrophobicContact CG2-CG 4.12Å; I110-Y144 HydrophobicContact CD1-CE1 4.23Å; I110-Y144 HydrophobicContact CG1-CE1 4.22Å; I110-Y144 WeakPolarHBondContact CG1-OH 3.44Å; I110-F148 HydrophobicContact CD1-CD2 3.57Å; I110-F148 HydrophobicContact CD1-CE1 4.47Å; I110-F148 HydrophobicContact CD1-CE2 3.31Å; I110-F148 HydrophobicContact CD1-CG 4.27Å; I110-F148 HydrophobicContact CD1-CZ 3.8Å; I110-F180 HydrophobicContact CG1-CD1 4.43Å; I110-F180 HydrophobicContact CG1-CE1 3.89Å
111	K	77.8	Confident	78.1	Confident	97 Å²	97	38.6 Å²	38.6	42%	0.422	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-21.2	173	-70.8	176.4	-174	173.9	0	113.3	L107 E108 E109 P114	L107-K111 WeakPolarHBondContact O-CG 3.2Å; L107-K111 PolarHBondContact O-N 2.88Å; L107-K111 VanDerWaalsContact O-N 3.1Å; E108-K111 IonicContact OE1-NZ 2.68Å; E108-K111 PolarHBondContact OE1-NZ 3.12Å; E108-K111 IonicContact OE2-NZ 3.83Å; E109-K111 PolarHBondContact O-N 2.86Å; K111-P114 VanDerWaalsContact O-CD 3.29Å; K111-P114 WeakPolarHBondContact O-CD 3.44Å
112	C	78.9	Confident	78.6	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-8.9	175.4	-65.2	0	0	0	0	114.6	C69 F72 E109 I110 P114 C115	C69-C112 WeakPolarHBondContact CA-SG 3.41Å; C69-C112 HydrophobicContact CB-CB 3.63Å; C69-C112 WeakPolarHBondContact CB-SG 3.47Å; C69-C112 WeakPolarHBondContact SG-CA 3.33Å; C69-C112 WeakPolarHBondContact SG-CB 3.45Å; C69-C112 CovalentContact SG-SG 2.04Å; C69-C112 PolarHBondContact SG-SG 3.28Å; F72-C112 HydrophobicContact CD2-CB 3.97Å; F72-C112 HydrophobicContact CE2-CB 4.33Å; E109-C112 WeakPolarHBondContact O-CA 3.31Å; E109-C112 VanDerWaalsContact O-CB 3.3Å; E109-C112 WeakPolarHBondContact O-CB 3.04Å; E109-C112 PolarHBondContact O-N 2.82Å; I110-C112 PolarHBondContact O-N 2.52Å; I110-C112 VanDerWaalsContact O-N 3.09Å; C112-P114 VanDerWaalsContact C-CD 3.42Å; C112-P114 VanDerWaalsContact C-N 3.35Å; C112-C115 WeakPolarHBondContact O-CB 3.16Å; C112-C115 PolarHBondContact O-N 3.32Å
113	A	80	Confident	78.8	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-57.1	-36.4	178.3	0	0	0	0	0	114.2	I110 C115 S116 S119 F123 P138 F180	I110-A113 WeakPolarHBondContact O-CB 3.47Å; I110-A113 PolarHBondContact O-N 2.94Å; A113-C115 PolarHBondContact O-N 3.09Å; A113-S116 WeakPolarHBondContact O-CB 3.19Å; A113-S116 PolarHBondContact O-N 3.25Å; A113-S116 VanDerWaalsContact O-N 3.12Å; A113-S119 WeakPolarHBondContact O-CB 3.38Å; A113-F123 HydrophobicContact CB-CE2 3.91Å; A113-F123 HydrophobicContact CB-CZ 3.79Å; A113-P138 HydrophobicContact CB-CB 3.98Å; A113-P138 HydrophobicContact CB-CG 3.73Å; A113-F180 HydrophobicContact CB-CD2 3.71Å; A113-F180 HydrophobicContact CB-CE2 3.71Å; A113-F180 HydrophobicContact CB-CG 4.27Å; A113-F180 HydrophobicContact CB-CZ 4.28Å
114	P	79.3	Confident	78.4	Confident	51 Å²	51	32.7 Å²	32.7	33%	0.331	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-61.8	-28.9	174.2	-25.6	36.7	0	0	0	114	L40 K111 C112 S116 S119 F123	L40-P114 HydrophobicContact CD1-CB 3.71Å; L40-P114 HydrophobicContact CD1-CG 4.47Å; K111-P114 VanDerWaalsContact O-CD 3.29Å; K111-P114 WeakPolarHBondContact O-CD 3.44Å; C112-P114 VanDerWaalsContact C-CD 3.42Å; C112-P114 VanDerWaalsContact C-N 3.35Å; P114-S116 VanDerWaalsContact C-N 3.27Å; P114-S116 PolarHBondContact O-N 2.93Å; P114-S119 VanDerWaalsContact O-CB 3.25Å; P114-S119 WeakPolarHBondContact O-CB 3.03Å; P114-S119 PolarHBondContact O-OG 3.33Å; P114-S119 VanDerWaalsContact O-OG 3.1Å; P114-F123 HydrophobicContact CG-CE2 4.11Å; P114-F123 HydrophobicContact CG-CZ 4.01Å
115	C	79.3	Confident	77.9	Confident	12 Å²	12	33.3 Å²	33.3	8%	0.081	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-77.8	-11.6	178.3	-59.8	0	0	0	0	113.5	C69 Y73 S77 C78 C79 C112 A113	C69-C115 HydrophobicContact CB-CB 4.25Å; Y73-C115 HydrophobicContact CD2-CB 4.22Å; Y73-C115 HydrophobicContact CE2-CB 4.33Å; S77-C115 PolarHBondContact OG-O 3.1Å; C78-C115 PolarHBondContact N-O 3.03Å; C79-C115 HydrophobicContact CB-CB 3.78Å; C79-C115 WeakPolarHBondContact CB-SG 3.29Å; C79-C115 WeakPolarHBondContact SG-CA 3.49Å; C79-C115 WeakPolarHBondContact SG-CB 3.46Å; C79-C115 CovalentContact SG-SG 2.04Å; C79-C115 PolarHBondContact SG-SG 3.26Å; C112-C115 WeakPolarHBondContact O-CB 3.16Å; C112-C115 PolarHBondContact O-N 3.32Å; A113-C115 PolarHBondContact O-N 3.09Å
116	S	81.8	Confident	76.9	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.191	C	C	.	.	S	Bend	trans	-55.3	137	175	164.2	0	0	0	0	111.3	C78 A113 P114 H118 S119 D182	C78-S116 PolarHBondContact SG-O 3.04Å; A113-S116 WeakPolarHBondContact O-CB 3.19Å; A113-S116 PolarHBondContact O-N 3.25Å; A113-S116 VanDerWaalsContact O-N 3.12Å; P114-S116 VanDerWaalsContact C-N 3.27Å; P114-S116 PolarHBondContact O-N 2.93Å; S116-H118 PolarHBondContact O-N 3.38Å; S116-H118 WeakPolarHBondContact OG-CA 3.46Å; S116-H118 WeakPolarHBondContact OG-CB 3.42Å; S116-H118 PolarHBondContact OG-N 2.98Å; S116-S119 WeakPolarHBondContact O-CB 3.27Å; S116-S119 PolarHBondContact O-N 3.09Å; S116-S119 PolarHBondContact O-OG 2.04Å; S116-D182 WeakPolarHBondContact CB-OD2 3.49Å; S116-D182 PolarHBondContact OG-OD2 3.09Å
117	P	81.3	Confident	75.8	Confident	12 Å²	12	39.6 Å²	39.6	8%	0.078	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-13.6	167.8	-24.7	35.3	0	0	0	114.8	R37 R38 P45 Y73 V76	R37-P117 CarbonylContact C-O 3.54Å; R37-P117 WeakPolarHBondContact CA-O 3.44Å; R37-P117 HydrophobicContact CB-CB 4.47Å; R37-P117 WeakPolarHBondContact CB-O 3.3Å; R37-P117 HydrophobicContact CG-CB 4.44Å; R38-P117 PolarHBondContact N-O 3.2Å; P45-P117 HydrophobicContact CB-CB 4.21Å; P45-P117 HydrophobicContact CG-CB 4.11Å; Y73-P117 HydrophobicContact CD1-CG 4.38Å; V76-P117 HydrophobicContact CG1-CB 4.45Å; V76-P117 HydrophobicContact CG1-CG 4.31Å; V76-P117 WeakPolarHBondContact O-CG 3.49Å
118	H	83.1	Confident	74.9	Confident	45 Å²	45	43.5 Å²	43.5	21%	0.208	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	12.9	-179.2	-64.8	-79.4	0	0	0	112.5	R37 S116 Q120 S121 L122 D182	R37-H118 VanDerWaalsContact CG-CE1 3.47Å; R37-H118 WeakPolarHBondContact CG-CE1 3.33Å; S116-H118 PolarHBondContact O-N 3.38Å; S116-H118 WeakPolarHBondContact OG-CA 3.46Å; S116-H118 WeakPolarHBondContact OG-CB 3.42Å; S116-H118 PolarHBondContact OG-N 2.98Å; H118-Q120 PolarHBondContact O-N 2.87Å; H118-Q120 VanDerWaalsContact O-N 3.08Å; H118-S121 PolarHBondContact O-N 2.84Å; H118-S121 PolarHBondContact O-OG 3.11Å; H118-L122 PolarHBondContact O-N 3.35Å; H118-D182 IonicContact CD2-OD2 3.64Å
119	S	82.4	Confident	73.7	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-56.6	-32	-171.7	60.3	0	0	0	0	114.2	C39 L40 A113 P114 S116 S121 L122 F123	C39-S119 WeakPolarHBondContact CA-OG 3.32Å; L40-S119 PolarHBondContact N-OG 2.79Å; A113-S119 WeakPolarHBondContact O-CB 3.38Å; P114-S119 VanDerWaalsContact O-CB 3.25Å; P114-S119 WeakPolarHBondContact O-CB 3.03Å; P114-S119 PolarHBondContact O-OG 3.33Å; P114-S119 VanDerWaalsContact O-OG 3.1Å; S116-S119 WeakPolarHBondContact O-CB 3.27Å; S116-S119 PolarHBondContact O-N 3.09Å; S116-S119 PolarHBondContact O-OG 2.04Å; S119-S121 VanDerWaalsContact C-N 3.3Å; S119-S121 PolarHBondContact O-N 3.08Å; S119-L122 PolarHBondContact O-N 3.25Å; S119-F123 WeakPolarHBondContact O-CD2 3.33Å; S119-F123 PolarHBondContact O-N 3.44Å; S119-F123 VanDerWaalsContact O-N 3.12Å
120	Q	80.5	Confident	72.3	Confident	68 Å²	68	54.7 Å²	54.7	32%	0.318	29%	0.293	S	S	.	.	H	α-helix	trans	-57.7	-44.3	173.1	-164.6	178.1	18.6	0	0	112.1	R38 C39 H118 L122 C124	R38-Q120 HydrophobicContact CB-CB 4.09Å; R38-Q120 WeakPolarHBondContact O-CB 3.36Å; R38-Q120 PolarHBondContact O-N 3.31Å; R38-Q120 VanDerWaalsContact O-N 3.17Å; C39-Q120 WeakPolarHBondContact O-CB 3.27Å; H118-Q120 PolarHBondContact O-N 2.87Å; H118-Q120 VanDerWaalsContact O-N 3.08Å; Q120-L122 VanDerWaalsContact C-N 3.29Å; Q120-L122 PolarHBondContact O-N 3.18Å; Q120-C124 WeakPolarHBondContact O-CA 3.38Å; Q120-C124 WeakPolarHBondContact O-CB 3.48Å; Q120-C124 PolarHBondContact O-N 3.34Å
121	S	78.1	Confident	70.6	Confident	35 Å²	35	60.7 Å²	60.7	25%	0.245	32%	0.324	C	S	.	.	H	α-helix	trans	-75.1	-18	-179.1	70.3	0	0	0	0	114.2	H118 S119 R173 S178	H118-S121 PolarHBondContact O-N 2.84Å; H118-S121 PolarHBondContact O-OG 3.11Å; S119-S121 VanDerWaalsContact C-N 3.3Å; S119-S121 PolarHBondContact O-N 3.08Å; S121-R173 PolarHBondContact O-NH1 2.95Å; S121-R173 VanDerWaalsContact O-NH1 3.08Å; S121-S178 PolarHBondContact OG-OG 3.04Å
122	L	80.1	Confident	68.8	Low	0 Å²	0	64.4 Å²	64.4	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-84.6	-33.7	178.7	-66.1	177.7	0	0	0	111.7	H118 S119 Q120 P138 L139 C179 F180	H118-L122 PolarHBondContact O-N 3.35Å; S119-L122 PolarHBondContact O-N 3.25Å; Q120-L122 VanDerWaalsContact C-N 3.29Å; Q120-L122 PolarHBondContact O-N 3.18Å; L122-P138 HydrophobicContact CB-CB 4.17Å; L122-L139 WeakPolarHBondContact O-CG 3.24Å; L122-L139 PolarHBondContact O-N 3.39Å; L122-C179 WeakPolarHBondContact CD2-O 3.01Å; L122-F180 HydrophobicContact CD1-CB 4.38Å; L122-F180 HydrophobicContact CD1-CD2 4.26Å; L122-F180 HydrophobicContact CD2-CB 4.13Å
123	F	79.4	Confident	67.4	Low	33 Å²	33	67.9 Å²	67.9	15%	0.145	39%	0.385	C	S	.	.	H	α-helix	trans	-106	-30.6	-176	-70.1	-82.1	0	0	0	113.9	L40 A113 P114 S119 V136 P138	L40-F123 HydrophobicContact CD1-CD2 3.88Å; L40-F123 HydrophobicContact CD1-CE2 4.14Å; L40-F123 HydrophobicContact CD2-CB 3.75Å; L40-F123 HydrophobicContact CD2-CD2 3.99Å; L40-F123 HydrophobicContact CD2-CG 4Å; L40-F123 HydrophobicContact CG-CD2 4.11Å; A113-F123 HydrophobicContact CB-CE2 3.91Å; A113-F123 HydrophobicContact CB-CZ 3.79Å; P114-F123 HydrophobicContact CG-CE2 4.11Å; P114-F123 HydrophobicContact CG-CZ 4.01Å; S119-F123 WeakPolarHBondContact O-CD2 3.33Å; S119-F123 PolarHBondContact O-N 3.44Å; S119-F123 VanDerWaalsContact O-N 3.12Å; F123-V136 HydrophobicContact CD1-CG1 4.28Å; F123-P138 HydrophobicContact CD1-CB 4.36Å; F123-P138 HydrophobicContact CE1-CB 3.86Å; F123-P138 HydrophobicContact CE1-CG 4.37Å; F123-P138 HydrophobicContact CE2-CB 4.12Å; F123-P138 HydrophobicContact CZ-CB 3.73Å; F123-P138 HydrophobicContact CZ-CG 4.18Å
124	C	69.4	Low	66.2	Low	76 Å²	76	73.1 Å²	73.1	51%	0.514	41%	0.413	S	S	.	.			trans	-100.4	104.1	179.8	-57.8	0	0	0	0	110.1	Q120	Q120-C124 WeakPolarHBondContact O-CA 3.38Å; Q120-C124 WeakPolarHBondContact O-CB 3.48Å; Q120-C124 PolarHBondContact O-N 3.34Å
125	S	63.8	Low	65.1	Low	35 Å²	35	72.3 Å²	72.3	25%	0.245	41%	0.405	C	S	.	.			trans	-113.1	134.8	166.4	-173.8	0	0	0	0	109.1	E127 R128	S125-E127 PolarHBondContact O-N 3.14Å; S125-E127 VanDerWaalsContact O-N 3.12Å; S125-R128 PolarHBondContact O-N 2.94Å
126	P	55.1	Low	64.5	Low	140 Å²	140	75.6 Å²	75.6	91%	0.909	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-14	176.5	25.5	-32.8	0	0	0	113.6
127	E	53.8	Low	64.1	Low	128 Å²	128	75.7 Å²	75.7	60%	0.598	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	4	-176.6	-60.2	-179.1	161.2	0	0	114.3	S125 E129	S125-E127 PolarHBondContact O-N 3.14Å; S125-E127 VanDerWaalsContact O-N 3.12Å; E127-E129 PolarHBondContact O-N 3.33Å
128	R	58.4	Low	64.2	Low	86 Å²	86	75.2 Å²	75.2	33%	0.325	42%	0.422	S	S	.	.			trans	-91	94.9	-175	-149.9	175.5	-174	169.9	2.7	110.4	S125 V130 L137	S125-R128 PolarHBondContact O-N 2.94Å; R128-V130 PolarHBondContact O-N 2.97Å; R128-L137 PolarHBondContact NH1-O 2.98Å; R128-L137 PolarHBondContact NH2-O 2.66Å
129	E	49	Very low	64.2	Low	186 Å²	186	73.8 Å²	73.8	87%	0.869	42%	0.416	S	S	*	.			trans	-67.9	112.5	160.8	-72.2	-176.2	170.3	0	0	107.9	E127 L131	E127-E129 PolarHBondContact O-N 3.33Å; E129-L131 PolarHBondContact O-N 2.55Å
130	V	47.1	Very low	64.3	Low	131 Å²	131	73.8 Å²	73.8	79%	0.794	42%	0.416	S	S	*	.			trans	-76.1	105.4	179.9	-179.8	0	0	0	0	108	R128	R128-V130 PolarHBondContact O-N 2.97Å
131	L	44.1	Very low	64.5	Low	140 Å²	140	70.9 Å²	70.9	73%	0.733	40%	0.404	S	S	*	.			trans	-74.8	127.8	162.2	-79.8	159.2	0	0	0	108.4	E129 G133	E129-L131 PolarHBondContact O-N 2.55Å; L131-G133 PolarHBondContact O-N 2.92Å
132	D	39.4	Very low	64.6	Low	174 Å²	174	74.5 Å²	74.5	93%	0.93	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	108.9	-174	-158.7	14.8	0	0	0	110.2
133	G	50.6	Low	64.5	Low	74 Å²	74	77 Å²	77	76%	0.763	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	123.2	-2.4	171.2	0	0	0	0	0	118.8	L131	L131-G133 PolarHBondContact O-N 2.92Å
134	D	53.4	Low	64.7	Low	110 Å²	110	75.5 Å²	75.5	59%	0.588	42%	0.422	S	S	*	.			trans	-97.4	155.2	-173.3	-83.2	-23.7	0	0	0	116	V136	D134-V136 PolarHBondContact O-N 2.97Å
135	L	57.7	Low	65.4	Low	33 Å²	33	71.9 Å²	71.9	17%	0.173	40%	0.397	C	S	.	.			trans	-49.1	127.3	179.9	-85.8	88.2	0	0	0	113.1	I94 F95 L137 I156	I94-L135 HydrophobicContact CD1-CD1 4.12Å; I94-L135 HydrophobicContact CD1-CG 4.24Å; I94-L135 HydrophobicContact CG2-CD1 4.33Å; I94-L135 HydrophobicContact CG2-CD2 4.03Å; I94-L135 HydrophobicContact CG2-CG 4.27Å; F95-L135 HydrophobicContact CE1-CD2 4.01Å; F95-L135 HydrophobicContact CZ-CD2 3.72Å; L135-L137 VanDerWaalsContact C-N 3.31Å; L135-L137 HydrophobicContact CB-CG 4.29Å; L135-L137 PolarHBondContact O-N 3.46Å; L135-I156 HydrophobicContact CD1-CG2 4.27Å; L135-I156 HydrophobicContact CD2-CG2 3.91Å
136	V	66.8	Low	66.3	Low	82 Å²	82	74.5 Å²	74.5	50%	0.497	40%	0.404	S	S	.	.			trans	-82.7	73.3	176.9	-170.8	0	0	0	0	110.9	F123 D134	F123-V136 HydrophobicContact CD1-CG1 4.28Å; D134-V136 PolarHBondContact O-N 2.97Å
137	L	73.3	Confident	67.7	Low	2 Å²	2	70.6 Å²	70.6	1%	0.01	37%	0.374	C	S	.	.			trans	-83.5	145.2	173.6	-66.1	174.3	0	0	0	112.1	I110 R128 L135 F148 F167 Y171	I110-L137 HydrophobicContact CD1-CD2 4.16Å; I110-L137 HydrophobicContact CG2-CD2 3.95Å; R128-L137 PolarHBondContact NH1-O 2.98Å; R128-L137 PolarHBondContact NH2-O 2.66Å; L135-L137 VanDerWaalsContact C-N 3.31Å; L135-L137 HydrophobicContact CB-CG 4.29Å; L135-L137 PolarHBondContact O-N 3.46Å; L137-F148 HydrophobicContact CD1-CE1 4.07Å; L137-F167 HydrophobicContact CD1-CE2 4.11Å; L137-F167 HydrophobicContact CD1-CZ 3.75Å; L137-Y171 HydrophobicContact CB-CD1 3.77Å; L137-Y171 HydrophobicContact CB-CE1 4.02Å; L137-Y171 HydrophobicContact CD1-CD1 4.05Å; L137-Y171 HydrophobicContact CD1-CE1 4.17Å; L137-Y171 HydrophobicContact CD1-CG 4.47Å; L137-Y171 HydrophobicContact CG-CD1 4.43Å; L137-Y171 HydrophobicContact CG-CE1 4.41Å
138	P	81.7	Confident	69.2	Low	1 Å²	1	64.6 Å²	64.6	1%	0.006	35%	0.346	C	S	.	.			trans	-66.1	159	167	29.2	-33.8	0	0	0	110.7	I110 A113 L122 F123 L140 F180	I110-P138 HydrophobicContact CG2-CG 4.12Å; A113-P138 HydrophobicContact CB-CB 3.98Å; A113-P138 HydrophobicContact CB-CG 3.73Å; L122-P138 HydrophobicContact CB-CB 4.17Å; F123-P138 HydrophobicContact CD1-CB 4.36Å; F123-P138 HydrophobicContact CE1-CB 3.86Å; F123-P138 HydrophobicContact CE1-CG 4.37Å; F123-P138 HydrophobicContact CE2-CB 4.12Å; F123-P138 HydrophobicContact CZ-CB 3.73Å; F123-P138 HydrophobicContact CZ-CG 4.18Å; P138-L140 HydrophobicContact CG-CD2 3.99Å; P138-L140 WeakPolarHBondContact O-CG 2.95Å; P138-L140 PolarHBondContact O-N 3.2Å; P138-L140 VanDerWaalsContact O-N 3.09Å; P138-F180 HydrophobicContact CB-CB 4.23Å; P138-F180 HydrophobicContact CG-CB 4.23Å; P138-F180 HydrophobicContact CG-CD1 4.27Å; P138-F180 HydrophobicContact CG-CG 4.21Å
139	L	83.7	Confident	70.5	Confident	16 Å²	16	60.9 Å²	60.9	8%	0.084	33%	0.332	C	S	.	.			trans	-62.6	110.8	171.8	-74.6	171.5	0	0	0	110.2	L122 R173 C179 F180	L122-L139 WeakPolarHBondContact O-CG 3.24Å; L122-L139 PolarHBondContact O-N 3.39Å; L139-R173 HydrophobicContact CB-CB 4.42Å; L139-R173 HydrophobicContact CD1-CG 4.36Å; L139-C179 CarbonylContact O-C 3.56Å; L139-C179 WeakPolarHBondContact O-CA 3.23Å; L139-F180 PolarHBondContact O-N 2.04Å
140	L	84.9	Confident	72.1	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-85.9	149.1	-175.6	-58.2	-176.2	0	0	0	111.7	P138 Y144 C145 F148 Y171 S172 R173 F180	P138-L140 HydrophobicContact CG-CD2 3.99Å; P138-L140 WeakPolarHBondContact O-CG 2.95Å; P138-L140 PolarHBondContact O-N 3.2Å; P138-L140 VanDerWaalsContact O-N 3.09Å; L140-Y144 HydrophobicContact CB-CD1 4.29Å; L140-Y144 HydrophobicContact CD1-CD1 4.14Å; L140-Y144 HydrophobicContact CD1-CE1 4.31Å; L140-Y144 HydrophobicContact CD2-CD1 3.8Å; L140-Y144 HydrophobicContact CD2-CE1 3.77Å; L140-Y144 HydrophobicContact CG-CD1 4.29Å; L140-C145 HydrophobicContact CB-CB 3.84Å; L140-C145 HydrophobicContact CD1-CB 4.23Å; L140-F148 HydrophobicContact CD1-CB 4.5Å; L140-F148 HydrophobicContact CD1-CD1 4.4Å; L140-Y171 PolarHBondContact N-O 3.34Å; L140-S172 VanDerWaalsContact O-CA 3.24Å; L140-S172 WeakPolarHBondContact O-CA 3.33Å; L140-S172 WeakPolarHBondContact O-CB 3.03Å; L140-R173 PolarHBondContact O-N 2.91Å; L140-F180 CarbonylContact C-O 3.57Å; L140-F180 WeakPolarHBondContact CA-O 3.38Å; L140-F180 HydrophobicContact CD2-CB 4.16Å; L140-F180 HydrophobicContact CD2-CD1 3.81Å; L140-F180 HydrophobicContact CD2-CG 4.45Å
141	C	84.2	Confident	73.8	Confident	7 Å²	7	53.8 Å²	53.8	5%	0.047	29%	0.287	C	S	.	.			trans	-69.2	144.4	167	-58.7	0	0	0	0	108.8	D143 Y144 C145 C179 F180 N194	C141-D143 VanDerWaalsContact C-N 3.28Å; C141-D143 PolarHBondContact O-N 3.46Å; C141-Y144 PolarHBondContact O-N 3.32Å; C141-Y144 VanDerWaalsContact O-N 3.14Å; C141-C145 WeakPolarHBondContact O-CB 3.42Å; C141-C145 PolarHBondContact O-N 3.35Å; C141-C179 WeakPolarHBondContact CA-SG 3.24Å; C141-C179 HydrophobicContact CB-CB 3.98Å; C141-C179 WeakPolarHBondContact CB-SG 3.3Å; C141-C179 VanDerWaalsContact SG-C 3.57Å; C141-C179 WeakPolarHBondContact SG-CB 3.33Å; C141-C179 CovalentContact SG-SG 2.04Å; C141-C179 PolarHBondContact SG-SG 3.3Å; C141-F180 PolarHBondContact N-O 3.45Å; C141-F180 PolarHBondContact SG-O 2.82Å; C141-N194 PolarHBondContact SG-ND2 3.29Å
142	K	80.6	Confident	75.6	Confident	111 Å²	111	47.1 Å²	47.1	48%	0.483	25%	0.253	S	S	.	.	H	α-helix	trans	-54.9	-42.2	-171.6	-72.6	-175.6	177.9	179.7	0	113.2	C145 K146 A192	K142-C145 PolarHBondContact O-N 3.15Å; K142-K146 PolarHBondContact O-N 2.83Å; K142-A192 HydrophobicContact CB-CB 4.02Å
143	D	77.6	Confident	77.4	Confident	52 Å²	52	45.1 Å²	45.1	28%	0.278	23%	0.232	S	C	.	.	H	α-helix	trans	-67.8	-46	-179.2	-58.6	-33.6	0	0	0	111.4	C141 C145 K146 E147 V188 G190	C141-D143 VanDerWaalsContact C-N 3.28Å; C141-D143 PolarHBondContact O-N 3.46Å; D143-C145 VanDerWaalsContact C-N 3.32Å; D143-C145 PolarHBondContact O-N 2.91Å; D143-K146 PolarHBondContact O-N 3.07Å; D143-E147 PolarHBondContact O-N 3.42Å; D143-E147 VanDerWaalsContact O-N 3.09Å; D143-V188 HydrophobicContact CB-CG1 3.68Å; D143-G190 WeakPolarHBondContact OD2-CA 3.36Å
144	Y	84.1	Confident	78.4	Confident	2 Å²	2	44 Å²	44	1%	0.008	22%	0.22	C	C	.	.	H	α-helix	trans	-65.7	-35.2	176.1	-177.4	-93.6	0	0	0	112.4	L106 I110 L140 C141 K146 E147 F148 F180 P181 R185	L106-Y144 HydrophobicContact CD2-CE2 4.24Å; L106-Y144 PolarHBondContact O-OH 2.93Å; I110-Y144 HydrophobicContact CD1-CE1 4.23Å; I110-Y144 HydrophobicContact CG1-CE1 4.22Å; I110-Y144 WeakPolarHBondContact CG1-OH 3.44Å; L140-Y144 HydrophobicContact CB-CD1 4.29Å; L140-Y144 HydrophobicContact CD1-CD1 4.14Å; L140-Y144 HydrophobicContact CD1-CE1 4.31Å; L140-Y144 HydrophobicContact CD2-CD1 3.8Å; L140-Y144 HydrophobicContact CD2-CE1 3.77Å; L140-Y144 HydrophobicContact CG-CD1 4.29Å; C141-Y144 PolarHBondContact O-N 3.32Å; C141-Y144 VanDerWaalsContact O-N 3.14Å; Y144-K146 VanDerWaalsContact C-N 3.35Å; Y144-K146 PolarHBondContact O-N 3.24Å; Y144-E147 PolarHBondContact O-N 3.2Å; Y144-F148 HydrophobicContact CE1-CB 4.41Å; Y144-F148 VanDerWaalsContact O-CB 3.28Å; Y144-F148 WeakPolarHBondContact O-CB 3.4Å; Y144-F148 PolarHBondContact O-N 2.85Å; Y144-F180 HydrophobicContact CE1-CD1 4Å; Y144-F180 HydrophobicContact CE1-CE1 4.08Å; Y144-F180 AromaticContact CZ-CE1 3.98Å; Y144-P181 HydrophobicContact CD1-CG 4.4Å; Y144-P181 HydrophobicContact CD2-CG 3.47Å; Y144-P181 VanDerWaalsContact CD2-CG 3.47Å; Y144-P181 HydrophobicContact CE2-CG 3.59Å; Y144-P181 HydrophobicContact CG-CG 3.89Å; Y144-R185 VanDerWaalsContact CE2-CZ 3.41Å
145	C	83.6	Confident	79.3	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.3	-44.4	176.8	179	0	0	0	0	111.5	L140 C141 K142 D143 F148 F149 F167 C168	L140-C145 HydrophobicContact CB-CB 3.84Å; L140-C145 HydrophobicContact CD1-CB 4.23Å; C141-C145 WeakPolarHBondContact O-CB 3.42Å; C141-C145 PolarHBondContact O-N 3.35Å; K142-C145 PolarHBondContact O-N 3.15Å; D143-C145 VanDerWaalsContact C-N 3.32Å; D143-C145 PolarHBondContact O-N 2.91Å; C145-F148 PolarHBondContact O-N 3.19Å; C145-F149 WeakPolarHBondContact O-CB 3.34Å; C145-F149 PolarHBondContact O-N 3.49Å; C145-F167 VanDerWaalsContact SG-CD1 3.59Å; C145-C168 HydrophobicContact CB-CB 4.06Å; C145-C168 WeakPolarHBondContact CB-SG 3.5Å; C145-C168 WeakPolarHBondContact SG-CA 3.08Å; C145-C168 WeakPolarHBondContact SG-CB 3.27Å; C145-C168 CovalentContact SG-SG 2.05Å; C145-C168 PolarHBondContact SG-SG 3.37Å
146	K	83.9	Confident	79.8	Confident	89 Å²	89	40.6 Å²	40.6	39%	0.387	20%	0.2	S	C	.	.	H	α-helix	trans	-65	-44.7	175.8	-70.6	-174.7	175.7	-164	0	111.4	K142 D143 Y144 F148 F149 Y150 D165	K142-K146 PolarHBondContact O-N 2.83Å; D143-K146 PolarHBondContact O-N 3.07Å; Y144-K146 VanDerWaalsContact C-N 3.35Å; Y144-K146 PolarHBondContact O-N 3.24Å; K146-F148 PolarHBondContact O-N 2.85Å; K146-F149 PolarHBondContact O-N 2.05Å; K146-Y150 HydrophobicContact CB-CD2 4.44Å; K146-Y150 HydrophobicContact CB-CE2 4.3Å; K146-Y150 WeakPolarHBondContact O-CD2 3.03Å; K146-Y150 PolarHBondContact O-N 2.88Å; K146-D165 IonicContact NZ-OD1 3.74Å
147	E	84.5	Confident	79.6	Confident	59 Å²	59	41.4 Å²	41.4	28%	0.276	21%	0.207	S	C	.	.	H	α-helix	trans	-58.2	-46.9	176	-172.7	-169.6	152.6	0	0	111.6	D143 Y144 T151 R185 V188	D143-E147 PolarHBondContact O-N 3.42Å; D143-E147 VanDerWaalsContact O-N 3.09Å; Y144-E147 PolarHBondContact O-N 3.2Å; E147-T151 VanDerWaalsContact O-CB 3.23Å; E147-T151 WeakPolarHBondContact O-CB 3.29Å; E147-T151 PolarHBondContact O-N 2.73Å; E147-T151 VanDerWaalsContact O-N 3.08Å; E147-T151 PolarHBondContact O-OG1 3.5Å; E147-R185 IonicContact OE1-NH1 2.71Å; E147-R185 PolarHBondContact OE1-NH1 3.08Å; E147-R185 IonicContact OE2-NH1 2.96Å; E147-R185 PolarHBondContact OE2-NH1 3.21Å; E147-V188 WeakPolarHBondContact OE2-CG2 3.25Å
148	F	85.1	Confident	79.1	Confident	1 Å²	1	43.8 Å²	43.8	0%	0.004	23%	0.232	C	C	.	.	H	α-helix	trans	-60.6	-48.3	176.5	-177.9	-101.2	0	0	0	111.5	L106 L107 I110 L137 L140 Y144 C145 K146 T151 C152 I156 L159 F167	L106-F148 HydrophobicContact CB-CD2 4.03Å; L106-F148 HydrophobicContact CB-CE2 4.4Å; L106-F148 HydrophobicContact CD1-CD2 4.28Å; L107-F148 HydrophobicContact CD2-CE2 3.77Å; L107-F148 HydrophobicContact CD2-CZ 3.88Å; L107-F148 HydrophobicContact CG-CE2 4.41Å; I110-F148 HydrophobicContact CD1-CD2 3.57Å; I110-F148 HydrophobicContact CD1-CE1 4.47Å; I110-F148 HydrophobicContact CD1-CE2 3.31Å; I110-F148 HydrophobicContact CD1-CG 4.27Å; I110-F148 HydrophobicContact CD1-CZ 3.8Å; L137-F148 HydrophobicContact CD1-CE1 4.07Å; L140-F148 HydrophobicContact CD1-CB 4.5Å; L140-F148 HydrophobicContact CD1-CD1 4.4Å; Y144-F148 HydrophobicContact CE1-CB 4.41Å; Y144-F148 VanDerWaalsContact O-CB 3.28Å; Y144-F148 WeakPolarHBondContact O-CB 3.4Å; Y144-F148 PolarHBondContact O-N 2.85Å; C145-F148 PolarHBondContact O-N 3.19Å; K146-F148 PolarHBondContact O-N 2.85Å; F148-T151 PolarHBondContact O-N 2.78Å; F148-C152 HydrophobicContact CE2-CB 4.26Å; F148-C152 HydrophobicContact CZ-CB 4.29Å; F148-C152 VanDerWaalsContact O-CB 3.27Å; F148-C152 WeakPolarHBondContact O-CB 3.35Å; F148-C152 PolarHBondContact O-N 2.05Å; F148-I156 HydrophobicContact CE1-CD1 4.14Å; F148-I156 HydrophobicContact CE2-CD1 4.46Å; F148-I156 HydrophobicContact CZ-CD1 3.6Å; F148-L159 HydrophobicContact CE1-CD1 4.42Å; F148-F167 HydrophobicContact CD1-CE1 4.05Å; F148-F167 AromaticContact CD1-CZ 3.96Å; F148-F167 HydrophobicContact CD1-CZ 3.96Å; F148-F167 HydrophobicContact CE1-CZ 4.12Å
149	F	84.8	Confident	78.5	Confident	8 Å²	8	44.3 Å²	44.3	4%	0.035	23%	0.234	C	C	.	.	H	α-helix	trans	-59.4	-53.7	179.7	-177.5	-90	0	0	0	111.6	C145 K146 T151 C152 R153 L159 T162 A164 F167	C145-F149 WeakPolarHBondContact O-CB 3.34Å; C145-F149 PolarHBondContact O-N 3.49Å; K146-F149 PolarHBondContact O-N 2.05Å; F149-T151 VanDerWaalsContact C-N 3.31Å; F149-T151 PolarHBondContact O-N 2.66Å; F149-C152 PolarHBondContact O-N 3.47Å; F149-R153 HydrophobicContact CE1-CB 4.35Å; F149-R153 HydrophobicContact CZ-CB 4.36Å; F149-R153 WeakPolarHBondContact O-CA 3.41Å; F149-R153 WeakPolarHBondContact O-CB 3.26Å; F149-R153 WeakPolarHBondContact O-CG 3.43Å; F149-R153 PolarHBondContact O-N 3.25Å; F149-L159 HydrophobicContact CD2-CD2 3.93Å; F149-L159 HydrophobicContact CE2-CB 4.31Å; F149-L159 HydrophobicContact CE2-CD2 4.07Å; F149-T162 VanDerWaalsContact CZ-O 3.27Å; F149-T162 WeakPolarHBondContact CZ-O 3.47Å; F149-A164 HydrophobicContact CD1-CB 3.4Å; F149-A164 VanDerWaalsContact CD1-CB 3.4Å; F149-A164 HydrophobicContact CE1-CB 3.69Å; F149-A164 HydrophobicContact CG-CB 4Å; F149-A164 HydrophobicContact CZ-CB 4.48Å; F149-F167 HydrophobicContact CB-CD1 3.94Å; F149-F167 HydrophobicContact CB-CE1 4.3Å; F149-F167 HydrophobicContact CD2-CB 3.6Å; F149-F167 AromaticContact CD2-CD1 3.63Å; F149-F167 HydrophobicContact CD2-CD1 3.63Å; F149-F167 HydrophobicContact CD2-CD2 4.31Å; F149-F167 HydrophobicContact CD2-CE1 4.4Å; F149-F167 AromaticContact CD2-CG 3.57Å; F149-F167 HydrophobicContact CD2-CG 3.57Å; F149-F167 HydrophobicContact CE2-CB 3.83Å; F149-F167 HydrophobicContact CE2-CG 4.18Å; F149-F167 HydrophobicContact CG-CD1 4.19Å
150	Y	83.3	Confident	77.4	Confident	134 Å²	134	49.7 Å²	49.7	53%	0.525	26%	0.263	S	S	.	.	H	α-helix	trans	-65	-35.5	-176.8	-72.2	-61.1	0	0	0	113.1	K146 A164	K146-Y150 HydrophobicContact CB-CD2 4.44Å; K146-Y150 HydrophobicContact CB-CE2 4.3Å; K146-Y150 WeakPolarHBondContact O-CD2 3.03Å; K146-Y150 PolarHBondContact O-N 2.88Å; Y150-A164 HydrophobicContact CE1-CB 4.34Å; Y150-A164 HydrophobicContact CE2-CB 4.31Å
151	T	82.9	Confident	76.5	Confident	34 Å²	34	58.5 Å²	58.5	21%	0.209	30%	0.304	C	S	.	.	H	α-helix	trans	-77.3	-36.8	-178.3	-50.4	0	0	0	0	112.3	E102 C103 L106 E147 F148 F149	E102-T151 HydrophobicContact CB-CG2 3.94Å; C103-T151 HydrophobicContact CB-CG2 4.21Å; L106-T151 HydrophobicContact CD1-CG2 3.97Å; E147-T151 VanDerWaalsContact O-CB 3.23Å; E147-T151 WeakPolarHBondContact O-CB 3.29Å; E147-T151 PolarHBondContact O-N 2.73Å; E147-T151 VanDerWaalsContact O-N 3.08Å; E147-T151 PolarHBondContact O-OG1 3.5Å; F148-T151 PolarHBondContact O-N 2.78Å; F149-T151 VanDerWaalsContact C-N 3.31Å; F149-T151 PolarHBondContact O-N 2.66Å
152	C	80.7	Confident	75.9	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-104.9	-8.6	-173.9	-70.2	0	0	0	0	115.2	C103 F148 F149 G154 H155 I156 L159	C103-C152 WeakPolarHBondContact CA-SG 3.4Å; C103-C152 HydrophobicContact CB-CB 4.19Å; C103-C152 WeakPolarHBondContact CB-SG 3.43Å; C103-C152 WeakPolarHBondContact SG-CA 3.46Å; C103-C152 WeakPolarHBondContact SG-CB 3.24Å; C103-C152 CovalentContact SG-SG 2.05Å; C103-C152 PolarHBondContact SG-SG 3.13Å; F148-C152 HydrophobicContact CE2-CB 4.26Å; F148-C152 HydrophobicContact CZ-CB 4.29Å; F148-C152 VanDerWaalsContact O-CB 3.27Å; F148-C152 WeakPolarHBondContact O-CB 3.35Å; F148-C152 PolarHBondContact O-N 2.05Å; F149-C152 PolarHBondContact O-N 3.47Å; C152-G154 PolarHBondContact O-N 3.1Å; C152-G154 VanDerWaalsContact O-N 3.1Å; C152-H155 PolarHBondContact O-N 2.92Å; C152-I156 HydrophobicContact CB-CD1 3.71Å; C152-I156 HydrophobicContact CB-CG1 4.18Å; C152-I156 PolarHBondContact O-N 3.39Å; C152-I156 VanDerWaalsContact O-N 3.13Å; C152-L159 HydrophobicContact CB-CD1 4.38Å
153	R	79.1	Confident	75.9	Confident	132 Å²	132	58.9 Å²	58.9	50%	0.498	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-36.8	-177.6	61.7	-179.1	-173.1	162.4	4.6	114.4	F149 H155 L159 L160	F149-R153 HydrophobicContact CE1-CB 4.35Å; F149-R153 HydrophobicContact CZ-CB 4.36Å; F149-R153 WeakPolarHBondContact O-CA 3.41Å; F149-R153 WeakPolarHBondContact O-CB 3.26Å; F149-R153 WeakPolarHBondContact O-CG 3.43Å; F149-R153 PolarHBondContact O-N 3.25Å; R153-H155 VanDerWaalsContact C-N 3.26Å; R153-H155 PolarHBondContact O-N 2.92Å; R153-L159 HydrophobicContact CB-CB 4.23Å; R153-L160 WeakPolarHBondContact O-CG 3.1Å
154	G	69.7	Low	75.9	Confident	50 Å²	50	56.8 Å²	56.8	52%	0.515	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-3.3	-178.6	0	0	0	0	0	114.3	C152	C152-G154 PolarHBondContact O-N 3.1Å; C152-G154 VanDerWaalsContact O-N 3.1Å
155	H	72.4	Confident	75.7	Confident	71 Å²	71	61.7 Å²	61.7	33%	0.329	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.7	-17.9	-167.8	-61.5	-56.7	0	0	0	113.9	T98 N100 C152 R153	T98-H155 HydrophobicContact CG2-CB 3.7Å; N100-H155 VanDerWaalsContact CB-NE2 3.33Å; N100-H155 WeakPolarHBondContact CB-NE2 3.49Å; N100-H155 PolarHBondContact ND2-NE2 3.1Å; C152-H155 PolarHBondContact O-N 2.92Å; R153-H155 VanDerWaalsContact C-N 3.26Å; R153-H155 PolarHBondContact O-N 2.92Å
156	I	69.9	Low	75.5	Confident	1 Å²	1	66.7 Å²	66.7	1%	0.005	36%	0.355	C	S	.	.	S	Bend	trans	-108.8	116.9	178.3	-58.8	177.7	0	0	0	108.7	I94 L107 L135 F148 C152 G158 L159	I94-I156 HydrophobicContact CG2-CG2 4Å; L107-I156 HydrophobicContact CD2-CD1 4.08Å; L135-I156 HydrophobicContact CD1-CG2 4.27Å; L135-I156 HydrophobicContact CD2-CG2 3.91Å; F148-I156 HydrophobicContact CE1-CD1 4.14Å; F148-I156 HydrophobicContact CE2-CD1 4.46Å; F148-I156 HydrophobicContact CZ-CD1 3.6Å; C152-I156 HydrophobicContact CB-CD1 3.71Å; C152-I156 HydrophobicContact CB-CG1 4.18Å; C152-I156 PolarHBondContact O-N 3.39Å; C152-I156 VanDerWaalsContact O-N 3.13Å; I156-G158 PolarHBondContact O-N 3.3Å; I156-L159 HydrophobicContact CB-CD1 3.79Å; I156-L159 HydrophobicContact CB-CG 4.2Å; I156-L159 HydrophobicContact CD1-CD1 3.98Å; I156-L159 HydrophobicContact CG1-CD1 4.3Å; I156-L159 HydrophobicContact CG2-CD1 4.26Å; I156-L159 HydrophobicContact CG2-CG 4.31Å; I156-L159 PolarHBondContact O-N 3.38Å
157	P	61.7	Low	75.4	Confident	100 Å²	100	62.9 Å²	62.9	65%	0.649	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	125.9	173.4	-21.7	32.2	0	0	0	110.3
158	G	63.2	Low	75.4	Confident	51 Å²	51	60.5 Å²	60.5	53%	0.526	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	113.6	-35.6	-178.1	0	0	0	0	0	114.5	I156 L160	I156-G158 PolarHBondContact O-N 3.3Å; G158-L160 VanDerWaalsContact C-N 3.31Å; G158-L160 PolarHBondContact O-N 2.97Å
159	L	67.9	Low	75.1	Confident	12 Å²	12	66 Å²	66	6%	0.063	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-72	-22.5	-180	-69.4	179.3	0	0	0	113.8	F148 F149 C152 R153 I156 Q161 T162 F167	F148-L159 HydrophobicContact CE1-CD1 4.42Å; F149-L159 HydrophobicContact CD2-CD2 3.93Å; F149-L159 HydrophobicContact CE2-CB 4.31Å; F149-L159 HydrophobicContact CE2-CD2 4.07Å; C152-L159 HydrophobicContact CB-CD1 4.38Å; R153-L159 HydrophobicContact CB-CB 4.23Å; I156-L159 HydrophobicContact CB-CD1 3.79Å; I156-L159 HydrophobicContact CB-CG 4.2Å; I156-L159 HydrophobicContact CD1-CD1 3.98Å; I156-L159 HydrophobicContact CG1-CD1 4.3Å; I156-L159 HydrophobicContact CG2-CD1 4.26Å; I156-L159 HydrophobicContact CG2-CG 4.31Å; I156-L159 PolarHBondContact O-N 3.38Å; L159-Q161 VanDerWaalsContact C-N 3.27Å; L159-Q161 PolarHBondContact O-N 3.44Å; L159-T162 PolarHBondContact O-N 3.19Å; L159-T162 PolarHBondContact O-OG1 3.2Å; L159-F167 HydrophobicContact CD2-CD2 3.32Å; L159-F167 HydrophobicContact CD2-CE2 3.31Å; L159-F167 HydrophobicContact CD2-CG 4.02Å; L159-F167 HydrophobicContact CD2-CZ 3.97Å
160	L	62	Low	74.6	Confident	130 Å²	130	73.5 Å²	73.5	68%	0.681	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-65.6	-26.7	-178.9	-78.2	156.9	0	0	0	113.7	R153 G158	R153-L160 WeakPolarHBondContact O-CG 3.1Å; G158-L160 VanDerWaalsContact C-N 3.31Å; G158-L160 PolarHBondContact O-N 2.97Å
161	Q	65	Low	74.3	Confident	184 Å²	184	68.9 Å²	68.9	86%	0.86	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-94.5	-2	-174.7	-70.5	-179.6	-9.9	0	0	113.5	L159	L159-Q161 VanDerWaalsContact C-N 3.27Å; L159-Q161 PolarHBondContact O-N 3.44Å
162	T	72.4	Confident	74	Confident	55 Å²	55	67.7 Å²	67.7	34%	0.337	36%	0.357	S	S	.	.	S	Bend	trans	-118.2	157.1	-176	56.3	0	0	0	0	111.2	F149 L159	F149-T162 VanDerWaalsContact CZ-O 3.27Å; F149-T162 WeakPolarHBondContact CZ-O 3.47Å; L159-T162 PolarHBondContact O-N 3.19Å; L159-T162 PolarHBondContact O-OG1 3.2Å
163	T	79.3	Confident	73.7	Confident	72 Å²	72	71 Å²	71	44%	0.442	37%	0.369	S	S	.	.			trans	-86.2	158.8	168.8	61.9	0	0	0	0	111.7	D165 E166 F167	T163-D165 PolarHBondContact O-N 3.04Å; T163-E166 PolarHBondContact N-OE2 3.42Å; T163-E166 PolarHBondContact O-N 3.33Å; T163-E166 WeakPolarHBondContact OG1-CB 3.36Å; T163-E166 VanDerWaalsContact OG1-CD 3.28Å; T163-E166 VanDerWaalsContact OG1-CG 3.24Å; T163-E166 WeakPolarHBondContact OG1-CG 3.28Å; T163-E166 PolarHBondContact OG1-N 3.05Å; T163-E166 PolarHBondContact OG1-OE2 3.42Å; T163-F167 WeakPolarHBondContact O-CB 3.48Å; T163-F167 PolarHBondContact O-N 3.22Å
164	A	79.3	Confident	73.1	Confident	8 Å²	8	69.8 Å²	69.8	7%	0.066	37%	0.367	C	S	.	.	H	α-helix	trans	-58.1	-35.8	176.9	0	0	0	0	0	112.1	F149 Y150 C168	F149-A164 HydrophobicContact CD1-CB 3.4Å; F149-A164 VanDerWaalsContact CD1-CB 3.4Å; F149-A164 HydrophobicContact CE1-CB 3.69Å; F149-A164 HydrophobicContact CG-CB 4Å; F149-A164 HydrophobicContact CZ-CB 4.48Å; Y150-A164 HydrophobicContact CE1-CB 4.34Å; Y150-A164 HydrophobicContact CE2-CB 4.31Å; A164-C168 VanDerWaalsContact O-CB 3.28Å; A164-C168 WeakPolarHBondContact O-CB 3.02Å; A164-C168 PolarHBondContact O-N 3.27Å; A164-C168 PolarHBondContact O-SG 3.41Å
165	D	78.8	Confident	72.6	Confident	104 Å²	104	72.5 Å²	72.5	56%	0.556	37%	0.37	S	S	*	.	H	α-helix	trans	-74.5	-38.6	-179.7	-65	-43.5	0	0	0	111.9	K146 T163 F169	K146-D165 IonicContact NZ-OD1 3.74Å; T163-D165 PolarHBondContact O-N 3.04Å; D165-F169 VanDerWaalsContact O-CB 3.24Å; D165-F169 WeakPolarHBondContact O-CB 3.28Å; D165-F169 PolarHBondContact O-N 3.3Å
166	E	80.1	Confident	72	Confident	105 Å²	105	72.8 Å²	72.8	49%	0.491	39%	0.393	S	S	.	.	H	α-helix	trans	-65.3	-46.5	171.9	-74.7	165.8	156.4	0	0	111.7	T163 C168 F169 Y170	T163-E166 PolarHBondContact N-OE2 3.42Å; T163-E166 PolarHBondContact O-N 3.33Å; T163-E166 WeakPolarHBondContact OG1-CB 3.36Å; T163-E166 VanDerWaalsContact OG1-CD 3.28Å; T163-E166 VanDerWaalsContact OG1-CG 3.24Å; T163-E166 WeakPolarHBondContact OG1-CG 3.28Å; T163-E166 PolarHBondContact OG1-N 3.05Å; T163-E166 PolarHBondContact OG1-OE2 3.42Å; E166-C168 PolarHBondContact O-N 3.26Å; E166-F169 WeakPolarHBondContact O-CB 3.02Å; E166-F169 PolarHBondContact O-N 3.19Å; E166-F169 VanDerWaalsContact O-N 3.15Å; E166-Y170 WeakPolarHBondContact O-CD2 3.27Å; E166-Y170 PolarHBondContact O-N 3.18Å
167	F	82.4	Confident	71.8	Confident	10 Å²	10	74 Å²	74	4%	0.044	41%	0.405	C	S	.	.	H	α-helix	trans	-58.5	-49.9	176.6	175.5	-100.6	0	0	0	110.9	L137 C145 F148 F149 L159 T163 F169 Y170 Y171	L137-F167 HydrophobicContact CD1-CE2 4.11Å; L137-F167 HydrophobicContact CD1-CZ 3.75Å; C145-F167 VanDerWaalsContact SG-CD1 3.59Å; F148-F167 HydrophobicContact CD1-CE1 4.05Å; F148-F167 AromaticContact CD1-CZ 3.96Å; F148-F167 HydrophobicContact CD1-CZ 3.96Å; F148-F167 HydrophobicContact CE1-CZ 4.12Å; F149-F167 HydrophobicContact CB-CD1 3.94Å; F149-F167 HydrophobicContact CB-CE1 4.3Å; F149-F167 HydrophobicContact CD2-CB 3.6Å; F149-F167 AromaticContact CD2-CD1 3.63Å; F149-F167 HydrophobicContact CD2-CD1 3.63Å; F149-F167 HydrophobicContact CD2-CD2 4.31Å; F149-F167 HydrophobicContact CD2-CE1 4.4Å; F149-F167 AromaticContact CD2-CG 3.57Å; F149-F167 HydrophobicContact CD2-CG 3.57Å; F149-F167 HydrophobicContact CE2-CB 3.83Å; F149-F167 HydrophobicContact CE2-CG 4.18Å; F149-F167 HydrophobicContact CG-CD1 4.19Å; L159-F167 HydrophobicContact CD2-CD2 3.32Å; L159-F167 HydrophobicContact CD2-CE2 3.31Å; L159-F167 HydrophobicContact CD2-CG 4.02Å; L159-F167 HydrophobicContact CD2-CZ 3.97Å; T163-F167 WeakPolarHBondContact O-CB 3.48Å; T163-F167 PolarHBondContact O-N 3.22Å; F167-F169 VanDerWaalsContact C-N 3.27Å; F167-F169 PolarHBondContact O-N 3.43Å; F167-Y170 PolarHBondContact O-N 2.79Å; F167-Y171 AromaticContact CD2-CD2 3.47Å; F167-Y171 HydrophobicContact CD2-CD2 3.47Å; F167-Y171 VanDerWaalsContact CD2-CD2 3.47Å; F167-Y171 AromaticContact CD2-CE2 3.8Å; F167-Y171 HydrophobicContact CD2-CE2 3.8Å; F167-Y171 HydrophobicContact CD2-CG 4.41Å; F167-Y171 AromaticContact CE2-CD2 3.31Å; F167-Y171 HydrophobicContact CE2-CD2 3.31Å; F167-Y171 AromaticContact CE2-CE2 3.64Å; F167-Y171 HydrophobicContact CE2-CE2 3.64Å; F167-Y171 AromaticContact CE2-CG 3.91Å; F167-Y171 HydrophobicContact CE2-CG 3.91Å; F167-Y171 HydrophobicContact CG-CD2 4.19Å; F167-Y171 AromaticContact CZ-CD2 3.94Å; F167-Y171 HydrophobicContact CZ-CD2 3.94Å; F167-Y171 HydrophobicContact CZ-CG 4.11Å; F167-Y171 WeakPolarHBondContact O-CD2 3.35Å; F167-Y171 PolarHBondContact O-N 3.14Å
168	C	82.9	Confident	72.4	Confident	9 Å²	9	70.5 Å²	70.5	6%	0.061	38%	0.383	C	S	.	.	H	α-helix	trans	-71.2	-21	178.5	-65.7	0	0	0	0	113.2	C145 A164 E166 Y170 S172	C145-C168 HydrophobicContact CB-CB 4.06Å; C145-C168 WeakPolarHBondContact CB-SG 3.5Å; C145-C168 WeakPolarHBondContact SG-CA 3.08Å; C145-C168 WeakPolarHBondContact SG-CB 3.27Å; C145-C168 CovalentContact SG-SG 2.05Å; C145-C168 PolarHBondContact SG-SG 3.37Å; A164-C168 VanDerWaalsContact O-CB 3.28Å; A164-C168 WeakPolarHBondContact O-CB 3.02Å; A164-C168 PolarHBondContact O-N 3.27Å; A164-C168 PolarHBondContact O-SG 3.41Å; E166-C168 PolarHBondContact O-N 3.26Å; C168-Y170 VanDerWaalsContact C-N 3.3Å; C168-Y170 PolarHBondContact O-N 3.27Å; C168-S172 WeakPolarHBondContact O-CA 3.48Å; C168-S172 WeakPolarHBondContact O-CB 3.44Å; C168-S172 PolarHBondContact O-N 3.49Å; C168-S172 PolarHBondContact O-OG 3.47Å
169	F	79.3	Confident	73.3	Confident	115 Å²	115	68.6 Å²	68.6	50%	0.504	36%	0.361	S	S	.	.	H	α-helix	trans	-64.3	-35.1	171.1	-178.2	-97.2	0	0	0	112.6	D165 E166 F167 K174	D165-F169 VanDerWaalsContact O-CB 3.24Å; D165-F169 WeakPolarHBondContact O-CB 3.28Å; D165-F169 PolarHBondContact O-N 3.3Å; E166-F169 WeakPolarHBondContact O-CB 3.02Å; E166-F169 PolarHBondContact O-N 3.19Å; E166-F169 VanDerWaalsContact O-N 3.15Å; F167-F169 VanDerWaalsContact C-N 3.27Å; F167-F169 PolarHBondContact O-N 3.43Å; F169-K174 WeakPolarHBondContact O-CE 3.44Å; F169-K174 PolarHBondContact O-NZ 3.35Å
170	Y	74.5	Confident	74	Confident	167 Å²	167	68 Å²	68	66%	0.655	36%	0.358	S	S	*	.	H	α-helix	trans	-89.1	-36.9	178.8	-70.4	-71.7	0	0	0	113.6	E166 F167 C168	E166-Y170 WeakPolarHBondContact O-CD2 3.27Å; E166-Y170 PolarHBondContact O-N 3.18Å; F167-Y170 PolarHBondContact O-N 2.79Å; C168-Y170 VanDerWaalsContact C-N 3.3Å; C168-Y170 PolarHBondContact O-N 3.27Å
171	Y	77.6	Confident	74.9	Confident	36 Å²	36	62.3 Å²	62.3	14%	0.141	33%	0.329	C	S	.	.	H	α-helix	trans	-103.1	-10.8	-171.9	-67.8	-81.4	0	0	0	114.5	L137 L140 F167	L137-Y171 HydrophobicContact CB-CD1 3.77Å; L137-Y171 HydrophobicContact CB-CE1 4.02Å; L137-Y171 HydrophobicContact CD1-CD1 4.05Å; L137-Y171 HydrophobicContact CD1-CE1 4.17Å; L137-Y171 HydrophobicContact CD1-CG 4.47Å; L137-Y171 HydrophobicContact CG-CD1 4.43Å; L137-Y171 HydrophobicContact CG-CE1 4.41Å; L140-Y171 PolarHBondContact N-O 3.34Å; F167-Y171 AromaticContact CD2-CD2 3.47Å; F167-Y171 HydrophobicContact CD2-CD2 3.47Å; F167-Y171 VanDerWaalsContact CD2-CD2 3.47Å; F167-Y171 AromaticContact CD2-CE2 3.8Å; F167-Y171 HydrophobicContact CD2-CE2 3.8Å; F167-Y171 HydrophobicContact CD2-CG 4.41Å; F167-Y171 AromaticContact CE2-CD2 3.31Å; F167-Y171 HydrophobicContact CE2-CD2 3.31Å; F167-Y171 AromaticContact CE2-CE2 3.64Å; F167-Y171 HydrophobicContact CE2-CE2 3.64Å; F167-Y171 AromaticContact CE2-CG 3.91Å; F167-Y171 HydrophobicContact CE2-CG 3.91Å; F167-Y171 HydrophobicContact CG-CD2 4.19Å; F167-Y171 AromaticContact CZ-CD2 3.94Å; F167-Y171 HydrophobicContact CZ-CD2 3.94Å; F167-Y171 HydrophobicContact CZ-CG 4.11Å; F167-Y171 WeakPolarHBondContact O-CD2 3.35Å; F167-Y171 PolarHBondContact O-N 3.14Å
172	S	76.5	Confident	75.3	Confident	10 Å²	10	54.6 Å²	54.6	7%	0.07	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-92.8	151	172	84.5	0	0	0	0	112.3	L140 C168	L140-S172 VanDerWaalsContact O-CA 3.24Å; L140-S172 WeakPolarHBondContact O-CA 3.33Å; L140-S172 WeakPolarHBondContact O-CB 3.03Å; C168-S172 WeakPolarHBondContact O-CA 3.48Å; C168-S172 WeakPolarHBondContact O-CB 3.44Å; C168-S172 PolarHBondContact O-N 3.49Å; C168-S172 PolarHBondContact O-OG 3.47Å
173	R	72.8	Confident	75.2	Confident	68 Å²	68	52.7 Å²	52.7	26%	0.257	28%	0.281	S	S	.	.			trans	-73.4	134.6	178.3	-164.6	171.7	-178.9	121.8	13.5	111.5	S121 L139 L140 D175 G177 S178 C179	S121-R173 PolarHBondContact O-NH1 2.95Å; S121-R173 VanDerWaalsContact O-NH1 3.08Å; L139-R173 HydrophobicContact CB-CB 4.42Å; L139-R173 HydrophobicContact CD1-CG 4.36Å; L140-R173 PolarHBondContact O-N 2.91Å; R173-D175 WeakPolarHBondContact CD-O 3.08Å; R173-D175 WeakPolarHBondContact CG-O 3.1Å; R173-D175 PolarHBondContact NE-O 2.84Å; R173-G177 WeakPolarHBondContact CD-O 3.05Å; R173-S178 VanDerWaalsContact CD-O 3.29Å; R173-S178 WeakPolarHBondContact CD-O 3.33Å; R173-S178 PolarHBondContact NH1-O 3.47Å; R173-C179 HydrophobicContact CB-CB 4.17Å
174	K	66.9	Low	74.3	Confident	107 Å²	107	52.6 Å²	52.6	47%	0.465	28%	0.281	S	S	.	.			trans	-91.1	-34.4	-179.3	-64.7	-179.5	-178	172.9	0	113.6	F169	F169-K174 WeakPolarHBondContact O-CE 3.44Å; F169-K174 PolarHBondContact O-NZ 3.35Å
175	D	60.4	Low	73.3	Confident	108 Å²	108	54.6 Å²	54.6	58%	0.578	29%	0.287	S	S	*	.	S	Bend	trans	-113.7	143.8	-178	-58.1	-32	0	0	0	112.8	R173 G177	R173-D175 WeakPolarHBondContact CD-O 3.08Å; R173-D175 WeakPolarHBondContact CG-O 3.1Å; R173-D175 PolarHBondContact NE-O 2.84Å; D175-G177 PolarHBondContact O-N 3.31Å
176	G	58.9	Low	71.9	Confident	77 Å²	77	60 Å²	60	79%	0.794	31%	0.306	S	S	*	.	S	Bend	trans	-58	44.1	-169.3	0	0	0	0	0	119.6	R35	R35-G176 PolarHBondContact NH2-O 3.48Å; R35-G176 VanDerWaalsContact NH2-O 3.07Å
177	G	67	Low	70.3	Confident	25 Å²	25	63.2 Å²	63.2	26%	0.258	32%	0.321	S	S	.	.	S	Bend	trans	-99.9	-172	165.9	0	0	0	0	0	112.3	R173 D175	R173-G177 WeakPolarHBondContact CD-O 3.05Å; D175-G177 PolarHBondContact O-N 3.31Å
178	S	73.6	Confident	68.8	Low	28 Å²	28	64.3 Å²	64.3	20%	0.196	33%	0.328	C	S	.	.			trans	-70.7	131.2	-176.4	33.7	0	0	0	0	112.8	S121 R173 N194	S121-S178 PolarHBondContact OG-OG 3.04Å; R173-S178 VanDerWaalsContact CD-O 3.29Å; R173-S178 WeakPolarHBondContact CD-O 3.33Å; R173-S178 PolarHBondContact NH1-O 3.47Å; S178-N194 WeakPolarHBondContact CA-OD1 3.37Å
179	C	81.5	Confident	67.3	Low	10 Å²	10	75 Å²	75	7%	0.068	37%	0.367	C	S	.	.			trans	-113.1	175.5	170.2	56.4	0	0	0	0	110.8	L122 L139 C141 R173 N194	L122-C179 WeakPolarHBondContact CD2-O 3.01Å; L139-C179 CarbonylContact O-C 3.56Å; L139-C179 WeakPolarHBondContact O-CA 3.23Å; C141-C179 WeakPolarHBondContact CA-SG 3.24Å; C141-C179 HydrophobicContact CB-CB 3.98Å; C141-C179 WeakPolarHBondContact CB-SG 3.3Å; C141-C179 VanDerWaalsContact SG-C 3.57Å; C141-C179 WeakPolarHBondContact SG-CB 3.33Å; C141-C179 CovalentContact SG-SG 2.04Å; C141-C179 PolarHBondContact SG-SG 3.3Å; R173-C179 HydrophobicContact CB-CB 4.17Å; C179-N194 PolarHBondContact N-OD1 3.08Å; C179-N194 PolarHBondContact O-ND2 3.18Å; C179-N194 VanDerWaalsContact SG-CG 3.51Å; C179-N194 PolarHBondContact SG-ND2 3.45Å; C179-N194 PolarHBondContact SG-OD1 2.67Å
180	F	83.1	Confident	66.2	Low	0 Å²	0	70.4 Å²	70.4	0%	0	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-107.5	136.8	175.6	-178.4	-92.6	0	0	0	109.7	E109 I110 A113 L122 P138 L139 L140 C141 Y144 F183	E109-F180 VanDerWaalsContact O-CZ 3.27Å; E109-F180 WeakPolarHBondContact O-CZ 3.36Å; I110-F180 HydrophobicContact CG1-CD1 4.43Å; I110-F180 HydrophobicContact CG1-CE1 3.89Å; A113-F180 HydrophobicContact CB-CD2 3.71Å; A113-F180 HydrophobicContact CB-CE2 3.71Å; A113-F180 HydrophobicContact CB-CG 4.27Å; A113-F180 HydrophobicContact CB-CZ 4.28Å; L122-F180 HydrophobicContact CD1-CB 4.38Å; L122-F180 HydrophobicContact CD1-CD2 4.26Å; L122-F180 HydrophobicContact CD2-CB 4.13Å; P138-F180 HydrophobicContact CB-CB 4.23Å; P138-F180 HydrophobicContact CG-CB 4.23Å; P138-F180 HydrophobicContact CG-CD1 4.27Å; P138-F180 HydrophobicContact CG-CG 4.21Å; L139-F180 PolarHBondContact O-N 2.04Å; L140-F180 CarbonylContact C-O 3.57Å; L140-F180 WeakPolarHBondContact CA-O 3.38Å; L140-F180 HydrophobicContact CD2-CB 4.16Å; L140-F180 HydrophobicContact CD2-CD1 3.81Å; L140-F180 HydrophobicContact CD2-CG 4.45Å; C141-F180 PolarHBondContact N-O 3.45Å; C141-F180 PolarHBondContact SG-O 2.82Å; Y144-F180 HydrophobicContact CE1-CD1 4Å; Y144-F180 HydrophobicContact CE1-CE1 4.08Å; Y144-F180 AromaticContact CZ-CE1 3.98Å; F180-F183 HydrophobicContact CE2-CD1 4.42Å; F180-F183 AromaticContact CE2-CE1 3.79Å; F180-F183 HydrophobicContact CE2-CE1 3.79Å; F180-F183 AromaticContact CZ-CE1 3.86Å; F180-F183 HydrophobicContact CZ-CE1 3.86Å
181	P	80.3	Confident	64.9	Low	11 Å²	11	69.3 Å²	69.3	7%	0.071	37%	0.366	C	S	.	.			cis	-74.6	134.9	2.7	-19.7	35.1	0	0	0	113.4	Y144 F183 N194	Y144-P181 HydrophobicContact CD1-CG 4.4Å; Y144-P181 HydrophobicContact CD2-CG 3.47Å; Y144-P181 VanDerWaalsContact CD2-CG 3.47Å; Y144-P181 HydrophobicContact CE2-CG 3.59Å; Y144-P181 HydrophobicContact CG-CG 3.89Å; P181-F183 HydrophobicContact CB-CD1 4.08Å; P181-F183 HydrophobicContact CB-CE1 3.77Å; P181-F183 HydrophobicContact CB-CE2 4.39Å; P181-F183 HydrophobicContact CB-CZ 3.94Å; P181-N194 PolarHBondContact O-ND2 2.92Å
182	D	73	Confident	63.7	Low	22 Å²	22	69.3 Å²	69.3	12%	0.118	37%	0.373	C	S	.	.			trans	-99.2	10.9	175.9	65.3	-45.4	0	0	0	113	Y73 S116 H118	Y73-D182 PolarHBondContact OH-OD1 3.34Å; S116-D182 WeakPolarHBondContact CB-OD2 3.49Å; S116-D182 PolarHBondContact OG-OD2 3.09Å; H118-D182 IonicContact CD2-OD2 3.64Å
183	F	71.7	Confident	62.8	Low	15 Å²	15	70.6 Å²	70.6	7%	0.066	38%	0.382	C	S	.	.	S	Bend	trans	-114.5	157.4	171.7	61.7	-93.1	0	0	0	110.4	F72 Y73 F180 P181 R185	F72-F183 HydrophobicContact CB-CD1 4.12Å; F72-F183 HydrophobicContact CB-CD2 4.44Å; F72-F183 HydrophobicContact CB-CE1 4.4Å; F72-F183 HydrophobicContact CB-CG 4.14Å; F72-F183 AromaticContact CD1-CD2 3.7Å; F72-F183 HydrophobicContact CD1-CD2 3.7Å; F72-F183 HydrophobicContact CD1-CE1 4.29Å; F72-F183 AromaticContact CD1-CE2 3.44Å; F72-F183 HydrophobicContact CD1-CE2 3.44Å; F72-F183 VanDerWaalsContact CD1-CE2 3.44Å; F72-F183 HydrophobicContact CD1-CG 4.23Å; F72-F183 AromaticContact CD1-CZ 3.77Å; F72-F183 HydrophobicContact CD1-CZ 3.77Å; F72-F183 HydrophobicContact CD2-CE1 4.42Å; F72-F183 HydrophobicContact CD2-CZ 4.35Å; F72-F183 HydrophobicContact CE1-CD2 4.3Å; F72-F183 AromaticContact CE1-CE2 3.61Å; F72-F183 HydrophobicContact CE1-CE2 3.61Å; F72-F183 AromaticContact CE1-CZ 3.87Å; F72-F183 HydrophobicContact CE1-CZ 3.87Å; F72-F183 HydrophobicContact CE2-CZ 4.4Å; F72-F183 HydrophobicContact CG-CD1 4.32Å; F72-F183 HydrophobicContact CG-CD2 4.28Å; F72-F183 HydrophobicContact CG-CE1 4.14Å; F72-F183 HydrophobicContact CG-CE2 4.11Å; F72-F183 HydrophobicContact CG-CG 4.38Å; F72-F183 HydrophobicContact CG-CZ 4.03Å; F72-F183 HydrophobicContact CZ-CE2 4.37Å; F72-F183 HydrophobicContact CZ-CZ 4.2Å; Y73-F183 HydrophobicContact CE1-CB 4.37Å; Y73-F183 HydrophobicContact CE1-CD1 4.35Å; F180-F183 HydrophobicContact CE2-CD1 4.42Å; F180-F183 AromaticContact CE2-CE1 3.79Å; F180-F183 HydrophobicContact CE2-CE1 3.79Å; F180-F183 AromaticContact CZ-CE1 3.86Å; F180-F183 HydrophobicContact CZ-CE1 3.86Å; P181-F183 HydrophobicContact CB-CD1 4.08Å; P181-F183 HydrophobicContact CB-CE1 3.77Å; P181-F183 HydrophobicContact CB-CE2 4.39Å; P181-F183 HydrophobicContact CB-CZ 3.94Å; F183-R185 HydrophobicContact CE2-CG 3.98Å; F183-R185 PolarHBondContact O-N 2.89Å
184	P	59.8	Low	61.8	Low	69 Å²	69	70 Å²	70	45%	0.448	38%	0.384	S	S	.	.			trans	-72.9	115.3	-176	17	-11.9	0	0	0	110.9	Y195 E200	P184-Y195 HydrophobicContact CB-CE2 4.43Å; P184-Y195 VanDerWaalsContact CD-OH 3.3Å; P184-Y195 WeakPolarHBondContact CD-OH 3.41Å; P184-E200 WeakPolarHBondContact CG-OE1 3.45Å
185	R	57.6	Low	61.1	Low	50 Å²	50	69.5 Å²	69.5	19%	0.189	38%	0.38	C	S	.	.			trans	-92.9	134.7	168.1	-97.3	-175.2	163.5	-146.6	-12.6	109.7	E109 Y144 E147 F183 Q187	E109-R185 IonicContact OE1-CZ 3.73Å; E109-R185 IonicContact OE1-NE 2.82Å; E109-R185 IonicContact OE1-NH2 3.14Å; E109-R185 PolarHBondContact OE1-NH2 2.82Å; E109-R185 IonicContact OE2-CZ 3.68Å; E109-R185 IonicContact OE2-NE 3.76Å; E109-R185 PolarHBondContact OE2-NE 3.46Å; E109-R185 IonicContact OE2-NH2 2.8Å; E109-R185 PolarHBondContact OE2-NH2 2.8Å; Y144-R185 VanDerWaalsContact CE2-CZ 3.41Å; E147-R185 IonicContact OE1-NH1 2.71Å; E147-R185 PolarHBondContact OE1-NH1 3.08Å; E147-R185 IonicContact OE2-NH1 2.96Å; E147-R185 PolarHBondContact OE2-NH1 3.21Å; F183-R185 HydrophobicContact CE2-CG 3.98Å; F183-R185 PolarHBondContact O-N 2.89Å; R185-Q187 PolarHBondContact O-N 2.68Å
186	K	49.5	Very low	60.3	Low	218 Å²	218	72 Å²	72	95%	0.948	39%	0.393	S	S	*	.	S	Bend	trans	-63.4	-18.4	176.1	-73.8	-177	179.2	176.6	0	114.2
187	Q	47.7	Very low	59.3	Low	173 Å²	173	74.9 Å²	74.9	81%	0.808	39%	0.39	S	S	*	.	S	Bend	trans	-107.9	-16.9	-166.9	-98.5	172.4	-21.3	0	0	116.4	R185	R185-Q187 PolarHBondContact O-N 2.68Å
188	V	50.2	Low	58	Low	33 Å²	33	80.2 Å²	80.2	20%	0.2	41%	0.408	C	S	.	.			trans	-112.7	85.5	-174.6	-169.9	0	0	0	0	110.2	D143 E147	D143-V188 HydrophobicContact CB-CG1 3.68Å; E147-V188 WeakPolarHBondContact OE2-CG2 3.25Å
189	R	51.8	Low	56.5	Low	233 Å²	233	84.6 Å²	84.6	88%	0.879	43%	0.427	S	S	*	.			trans	-99.8	92.9	165	-75.8	-174.9	-179.9	-179.8	-2.1	108.1
190	G	55	Low	54.4	Low	19 Å²	19	89.8 Å²	89.8	20%	0.196	45%	0.45	C	S	.	.			trans	-134.9	156.6	172.5	0	0	0	0	0	110.6	D143 A192 S193	D143-G190 WeakPolarHBondContact OD2-CA 3.36Å; G190-A192 PolarHBondContact O-N 2.71Å; G190-S193 WeakPolarHBondContact O-CB 3.5Å; G190-S193 PolarHBondContact O-N 2.96Å
191	P	48.8	Very low	52.2	Low	143 Å²	143	97.8 Å²	97.8	93%	0.929	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-3.6	-174.7	26	-33.8	0	0	0	114.4
192	A	51.8	Low	50.3	Low	37 Å²	37	103.1 Å²	103.1	31%	0.306	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	14.2	178.7	0	0	0	0	0	113.9	K142 G190	K142-A192 HydrophobicContact CB-CB 4.02Å; G190-A192 PolarHBondContact O-N 2.71Å
193	S	56.5	Low	48.6	Very low	37 Å²	37	106.7 Å²	106.7	26%	0.259	52%	0.523	S	S	.	.	S	Bend	trans	-72.7	151.2	172.2	-177.6	0	0	0	0	111.7	G190 Y195	G190-S193 WeakPolarHBondContact O-CB 3.5Å; G190-S193 PolarHBondContact O-N 2.96Å; S193-Y195 PolarHBondContact O-N 2.99Å; S193-Y195 PolarHBondContact OG-N 3.3Å
194	N	52.6	Low	47	Very low	54 Å²	54	113.8 Å²	113.8	29%	0.289	55%	0.554	S	S	.	*	S	Bend	trans	-58.5	-15.5	168.6	-70.3	-57.4	0	0	0	113.4	C141 S178 C179 P181	C141-N194 PolarHBondContact SG-ND2 3.29Å; S178-N194 WeakPolarHBondContact CA-OD1 3.37Å; C179-N194 PolarHBondContact N-OD1 3.08Å; C179-N194 PolarHBondContact O-ND2 3.18Å; C179-N194 VanDerWaalsContact SG-CG 3.51Å; C179-N194 PolarHBondContact SG-ND2 3.45Å; C179-N194 PolarHBondContact SG-OD1 2.67Å; P181-N194 PolarHBondContact O-ND2 2.92Å
195	Y	51.4	Low	46.1	Very low	97 Å²	97	114.7 Å²	114.7	38%	0.38	56%	0.558	S	S	.	*	S	Bend	trans	-94.8	105.7	177.8	-72	-89.7	0	0	0	109.2	P184 S193 D197	P184-Y195 HydrophobicContact CB-CE2 4.43Å; P184-Y195 VanDerWaalsContact CD-OH 3.3Å; P184-Y195 WeakPolarHBondContact CD-OH 3.41Å; S193-Y195 PolarHBondContact O-N 2.99Å; S193-Y195 PolarHBondContact OG-N 3.3Å; Y195-D197 PolarHBondContact O-N 2.96Å
196	L	44.1	Very low	45.2	Very low	162 Å²	162	114.2 Å²	114.2	85%	0.848	56%	0.558	S	S	*	*			trans	-55.2	122.8	153.8	-90	147	0	0	0	107.6	Q198	L196-Q198 PolarHBondContact O-N 3.18Å
197	D	37.8	Very low	44.5	Very low	136 Å²	136	110.4 Å²	110.4	73%	0.727	54%	0.543	S	S	*	.	S	Bend	trans	-43.3	138.9	168.4	-95.3	-38.4	0	0	0	110.6	Y195	Y195-D197 PolarHBondContact O-N 2.96Å
198	Q	39.3	Very low	44.2	Very low	138 Å²	138	108.2 Å²	108.2	65%	0.645	54%	0.536	S	S	*	.	S	Bend	trans	90	40.1	174.8	-53.6	-175.8	-0.7	0	0	119.8	L196 Y202	L196-Q198 PolarHBondContact O-N 3.18Å; Q198-Y202 HydrophobicContact CB-CD2 3.96Å; Q198-Y202 HydrophobicContact CB-CE2 3.93Å; Q198-Y202 WeakPolarHBondContact O-CD2 3.14Å
199	M	42.9	Very low	43.8	Very low	120 Å²	120	108.1 Å²	108.1	59%	0.591	54%	0.537	S	S	*	.	S	Bend	trans	-115.9	-25.2	167	-80.7	-160.2	101.8	0	0	117.5	Y202 E203	M199-Y202 CarbonylContact O-C 3.45Å; M199-Y202 PolarHBondContact O-N 3.49Å; M199-E203 PolarHBondContact O-N 2.69Å
200	E	37.9	Very low	43.2	Very low	118 Å²	118	102.1 Å²	102.1	55%	0.551	52%	0.515	S	S	*	.	H	α-helix	trans	-87.3	-30.3	-175.4	-74.4	-171.4	160.7	0	0	114.4	P184 Y202 E203	P184-E200 WeakPolarHBondContact CG-OE1 3.45Å; E200-Y202 VanDerWaalsContact C-N 3.28Å; E200-E203 PolarHBondContact O-N 3.09Å
201	E	37.6	Very low	42.6	Very low	169 Å²	169	109.5 Å²	109.5	79%	0.79	54%	0.541	S	S	*	.	H	α-helix	trans	-71.5	-31.9	166.1	-133.7	167.1	-160	0	0	110.3	V205	E201-V205 VanDerWaalsContact O-CB 3.29Å; E201-V205 WeakPolarHBondContact O-CB 3.35Å; E201-V205 WeakPolarHBondContact O-CG2 3.48Å; E201-V205 PolarHBondContact O-N 3.24Å; E201-V205 VanDerWaalsContact O-N 3.12Å
202	Y	40.4	Very low	42.4	Very low	122 Å²	122	108 Å²	108	48%	0.478	52%	0.522	S	S	.	.	H	α-helix	trans	-68.2	-33.8	171.2	-94.5	-93.9	0	0	0	113.2	Q198 M199 E200 V205 E206	Q198-Y202 HydrophobicContact CB-CD2 3.96Å; Q198-Y202 HydrophobicContact CB-CE2 3.93Å; Q198-Y202 WeakPolarHBondContact O-CD2 3.14Å; M199-Y202 CarbonylContact O-C 3.45Å; M199-Y202 PolarHBondContact O-N 3.49Å; E200-Y202 VanDerWaalsContact C-N 3.28Å; Y202-V205 CarbonylContact O-C 3.57Å; Y202-E206 VanDerWaalsContact O-CA 3.28Å; Y202-E206 WeakPolarHBondContact O-CA 3.49Å; Y202-E206 WeakPolarHBondContact O-CB 3.27Å; Y202-E206 WeakPolarHBondContact O-CG 2.92Å; Y202-E206 PolarHBondContact O-N 3.17Å
203	E	37	Very low	42.1	Very low	98 Å²	98	109.8 Å²	109.8	46%	0.458	52%	0.523	S	S	.	.	H	α-helix	trans	-75.9	-33.5	-178.7	-85.8	-163.4	155.4	0	0	113.7	M199 E200 E206 E207	M199-E203 PolarHBondContact O-N 2.69Å; E200-E203 PolarHBondContact O-N 3.09Å; E203-E206 CarbonylContact O-C 3.59Å; E203-E206 PolarHBondContact O-N 2.69Å; E203-E207 PolarHBondContact O-N 3.17Å
204	K	36.8	Very low	41.9	Very low	163 Å²	163	114.5 Å²	114.5	71%	0.709	54%	0.54	S	S	*	.	H	α-helix	trans	-74	-39.4	171.9	-77.8	-179	179.6	174.5	0	111.5	E206 L208	K204-E206 VanDerWaalsContact C-N 3.3Å; K204-L208 PolarHBondContact O-N 3.24Å
205	V	41.9	Very low	42.7	Very low	88 Å²	88	116 Å²	116	53%	0.533	55%	0.549	S	S	.	.	H	α-helix	trans	-65	-35.3	169.2	174.9	0	0	0	0	110.1	E201 Y202 L208 S209	E201-V205 VanDerWaalsContact O-CB 3.29Å; E201-V205 WeakPolarHBondContact O-CB 3.35Å; E201-V205 WeakPolarHBondContact O-CG2 3.48Å; E201-V205 PolarHBondContact O-N 3.24Å; E201-V205 VanDerWaalsContact O-N 3.12Å; Y202-V205 CarbonylContact O-C 3.57Å; V205-L208 CarbonylContact O-C 3.51Å; V205-S209 WeakPolarHBondContact O-CA 2.91Å; V205-S209 WeakPolarHBondContact O-CB 3.26Å; V205-S209 PolarHBondContact O-N 2.92Å
206	E	37.7	Very low	44.1	Very low	40 Å²	40	111.9 Å²	111.9	19%	0.187	53%	0.534	C	S	.	.	H	α-helix	trans	-80.9	-19.4	177.1	-80.2	-156.3	143.8	0	0	114.4	Y202 E203 K204 S209 R210 K213	Y202-E206 VanDerWaalsContact O-CA 3.28Å; Y202-E206 WeakPolarHBondContact O-CA 3.49Å; Y202-E206 WeakPolarHBondContact O-CB 3.27Å; Y202-E206 WeakPolarHBondContact O-CG 2.92Å; Y202-E206 PolarHBondContact O-N 3.17Å; E203-E206 CarbonylContact O-C 3.59Å; E203-E206 PolarHBondContact O-N 2.69Å; K204-E206 VanDerWaalsContact C-N 3.3Å; E206-S209 CarbonylContact O-C 3.5Å; E206-R210 HydrophobicContact CB-CG 4.26Å; E206-R210 VanDerWaalsContact O-CA 3.26Å; E206-R210 WeakPolarHBondContact O-CA 2.96Å; E206-R210 WeakPolarHBondContact O-CB 3.28Å; E206-R210 VanDerWaalsContact O-CD 3.27Å; E206-R210 WeakPolarHBondContact O-CD 3.13Å; E206-R210 WeakPolarHBondContact O-CG 2.91Å; E206-R210 PolarHBondContact O-N 3.27Å; E206-R210 IonicContact OE2-CZ 3.98Å; E206-R210 VanDerWaalsContact OE2-CZ 3.27Å; E206-R210 IonicContact OE2-NE 2.79Å; E206-R210 PolarHBondContact OE2-NE 2.85Å; E206-R210 VanDerWaalsContact OE2-NE 3.17Å; E206-R210 IonicContact OE2-NH2 3.29Å; E206-R210 PolarHBondContact OE2-NH2 3.48Å; E206-K213 IonicContact OE1-NZ 2.8Å; E206-K213 PolarHBondContact OE1-NZ 3.5Å
207	E	34.7	Very low	46.2	Very low	138 Å²	138	104.6 Å²	104.6	65%	0.645	50%	0.495	S	S	*	.	H	α-helix	trans	-78.4	-35.7	168.3	-86	-171.8	152	0	0	110.7	E203	E203-E207 PolarHBondContact O-N 3.17Å
208	L	41.4	Very low	48.5	Very low	127 Å²	127	98.7 Å²	98.7	67%	0.665	46%	0.464	S	S	*	.	H	α-helix	trans	-69.9	-37.1	167.8	-83.9	147.8	0	0	0	112	K204 V205 H212	K204-L208 PolarHBondContact O-N 3.24Å; V205-L208 CarbonylContact O-C 3.51Å; L208-H212 WeakPolarHBondContact O-CB 3.38Å; L208-H212 PolarHBondContact O-N 3.19Å; L208-H212 PolarHBondContact O-ND1 3.16Å
209	S	42.4	Very low	50.8	Low	31 Å²	31	92.4 Å²	92.4	22%	0.217	44%	0.435	C	S	.	.	H	α-helix	trans	-90.2	-15.7	-179.2	-175.3	0	0	0	0	112.8	V205 E206 K213	V205-S209 WeakPolarHBondContact O-CA 2.91Å; V205-S209 WeakPolarHBondContact O-CB 3.26Å; V205-S209 PolarHBondContact O-N 2.92Å; E206-S209 CarbonylContact O-C 3.5Å; S209-K213 WeakPolarHBondContact O-CA 3.05Å; S209-K213 WeakPolarHBondContact O-CB 3.23Å; S209-K213 WeakPolarHBondContact O-CD 3Å; S209-K213 WeakPolarHBondContact O-CG 3.07Å; S209-K213 PolarHBondContact O-N 3.11Å; S209-K213 WeakPolarHBondContact OG-CD 3.24Å; S209-K213 VanDerWaalsContact OG-CE 3.23Å; S209-K213 WeakPolarHBondContact OG-CE 3.32Å; S209-K213 VanDerWaalsContact OG-CG 3.32Å; S209-K213 WeakPolarHBondContact OG-CG 3.43Å
210	R	40.2	Very low	52.9	Low	108 Å²	108	91.2 Å²	91.2	41%	0.408	43%	0.428	S	S	.	.	H	α-helix	trans	-78.8	-37.3	169.9	-77.9	163.3	-169	169.7	3.9	109.3	E206 H212 H214	E206-R210 HydrophobicContact CB-CG 4.26Å; E206-R210 VanDerWaalsContact O-CA 3.26Å; E206-R210 WeakPolarHBondContact O-CA 2.96Å; E206-R210 WeakPolarHBondContact O-CB 3.28Å; E206-R210 VanDerWaalsContact O-CD 3.27Å; E206-R210 WeakPolarHBondContact O-CD 3.13Å; E206-R210 WeakPolarHBondContact O-CG 2.91Å; E206-R210 PolarHBondContact O-N 3.27Å; E206-R210 IonicContact OE2-CZ 3.98Å; E206-R210 VanDerWaalsContact OE2-CZ 3.27Å; E206-R210 IonicContact OE2-NE 2.79Å; E206-R210 PolarHBondContact OE2-NE 2.85Å; E206-R210 VanDerWaalsContact OE2-NE 3.17Å; E206-R210 IonicContact OE2-NH2 3.29Å; E206-R210 PolarHBondContact OE2-NH2 3.48Å; R210-H212 VanDerWaalsContact C-N 3.35Å; R210-H214 PolarHBondContact O-CD2 2.59Å; R210-H214 PolarHBondContact O-N 3.36Å
211	K	40.8	Very low	55.4	Low	173 Å²	173	89.4 Å²	89.4	75%	0.752	42%	0.42	S	S	*	.	H	α-helix	trans	-66.1	-33.3	168.5	-77.8	-176.1	176.3	179.3	0	112.9
212	H	44.5	Very low	58	Low	112 Å²	112	84 Å²	84	52%	0.519	40%	0.398	S	S	.	.	H	α-helix	trans	-87.5	-35.5	175.1	-81.2	83.4	0	0	0	115	L208 R210 H214 N215 C216 C536	L208-H212 WeakPolarHBondContact O-CB 3.38Å; L208-H212 PolarHBondContact O-N 3.19Å; L208-H212 PolarHBondContact O-ND1 3.16Å; R210-H212 VanDerWaalsContact C-N 3.35Å; H212-H214 VanDerWaalsContact C-N 3.29Å; H212-H214 PolarHBondContact O-N 3.41Å; H212-N215 PolarHBondContact O-N 2.76Å; H212-C216 PolarHBondContact O-N 3.4Å; H212-C216 PolarHBondContact O-SG 2.75Å; H212-C216 VanDerWaalsContact O-SG 3.32Å; H212-C536 PolarHBondContact O-SG 3.23Å
213	K	45.5	Very low	60.4	Low	75 Å²	75	79 Å²	79	33%	0.326	38%	0.38	S	S	.	.	H	α-helix	trans	-62.4	-34.5	178.9	-85.1	167.3	178.5	-173.5	0	111.3	E206 S209 N215 C216	E206-K213 IonicContact OE1-NZ 2.8Å; E206-K213 PolarHBondContact OE1-NZ 3.5Å; S209-K213 WeakPolarHBondContact O-CA 3.05Å; S209-K213 WeakPolarHBondContact O-CB 3.23Å; S209-K213 WeakPolarHBondContact O-CD 3Å; S209-K213 WeakPolarHBondContact O-CG 3.07Å; S209-K213 PolarHBondContact O-N 3.11Å; S209-K213 WeakPolarHBondContact OG-CD 3.24Å; S209-K213 VanDerWaalsContact OG-CE 3.23Å; S209-K213 WeakPolarHBondContact OG-CE 3.32Å; S209-K213 VanDerWaalsContact OG-CG 3.32Å; S209-K213 WeakPolarHBondContact OG-CG 3.43Å; K213-N215 PolarHBondContact O-N 2.92Å; K213-C216 PolarHBondContact O-N 3.48Å
214	H	52.4	Low	63	Low	136 Å²	136	77.2 Å²	77.2	63%	0.63	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-13	174.9	-71.5	-44.5	0	0	0	113.5	R210 H212 K586	R210-H214 PolarHBondContact O-CD2 2.59Å; R210-H214 PolarHBondContact O-N 3.36Å; H212-H214 VanDerWaalsContact C-N 3.29Å; H212-H214 PolarHBondContact O-N 3.41Å; H214-K586 WeakPolarHBondContact O-CE 3.47Å; H214-K586 PolarHBondContact O-NZ 3.47Å
215	N	70.8	Confident	65.5	Low	86 Å²	86	71.1 Å²	71.1	46%	0.46	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.8	13.4	178.9	-69.4	-14.3	0	0	0	113.4	H212 K213 R504 K586	H212-N215 PolarHBondContact O-N 2.76Å; K213-N215 PolarHBondContact O-N 2.92Å; N215-R504 PolarHBondContact O-NH1 2.83Å; N215-R504 PolarHBondContact O-NH2 3.36Å; N215-K586 WeakPolarHBondContact OD1-CE 3.4Å; N215-K586 PolarHBondContact OD1-NZ 3.08Å
216	C	81.3	Confident	67.9	Low	10 Å²	10	67 Å²	67	7%	0.068	34%	0.337	C	S	.	.			trans	-79.4	153.2	176.8	-59.3	0	0	0	0	112.4	H212 K213 R504 C536 P585	H212-C216 PolarHBondContact O-N 3.4Å; H212-C216 PolarHBondContact O-SG 2.75Å; H212-C216 VanDerWaalsContact O-SG 3.32Å; K213-C216 PolarHBondContact O-N 3.48Å; C216-R504 PolarHBondContact O-NH2 2.65Å; C216-C536 CarbonylContact C-O 3.58Å; C216-C536 VanDerWaalsContact CA-O 3.27Å; C216-C536 WeakPolarHBondContact CA-O 3.33Å; C216-C536 WeakPolarHBondContact CA-SG 3.31Å; C216-C536 HydrophobicContact CB-CB 4.02Å; C216-C536 VanDerWaalsContact CB-O 3.31Å; C216-C536 WeakPolarHBondContact CB-O 3.36Å; C216-C536 WeakPolarHBondContact CB-SG 3.34Å; C216-C536 WeakPolarHBondContact SG-CB 3.31Å; C216-C536 CovalentContact SG-SG 2.04Å; C216-C536 PolarHBondContact SG-SG 2.74Å; C216-P585 WeakPolarHBondContact O-CD 3.37Å; C216-P585 WeakPolarHBondContact O-CG 3.18Å
217	F	87	Confident	70.4	Confident	8 Å²	8	69.4 Å²	69.4	4%	0.035	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-90.7	166.2	168.3	-63.6	-92.5	0	0	0	110.2	S502 R504 L505 L535 C536 L537 G538 I582 D584	F217-S502 WeakPolarHBondContact CE1-OG 3.48Å; F217-R504 VanDerWaalsContact CD1-NH2 3.31Å; F217-R504 HydrophobicContact CE1-CG 4.48Å; F217-R504 VanDerWaalsContact CE1-NH2 3.26Å; F217-R504 VanDerWaalsContact CE2-CZ 3.42Å; F217-R504 HydrophobicContact CZ-CG 4.12Å; F217-L505 HydrophobicContact CD1-CD2 4.47Å; F217-L505 HydrophobicContact CE1-CB 3.98Å; F217-L505 HydrophobicContact CE1-CD2 3.85Å; F217-L505 HydrophobicContact CE1-CG 4.32Å; F217-L505 HydrophobicContact CE2-CD1 4.03Å; F217-L505 HydrophobicContact CZ-CB 3.73Å; F217-L505 HydrophobicContact CZ-CD1 3.7Å; F217-L505 HydrophobicContact CZ-CD2 3.87Å; F217-L505 HydrophobicContact CZ-CG 3.96Å; F217-L535 HydrophobicContact CD2-CD1 3.82Å; F217-L535 HydrophobicContact CD2-CD2 3.72Å; F217-L535 HydrophobicContact CD2-CG 3.71Å; F217-L535 HydrophobicContact CE2-CD1 3.58Å; F217-L535 HydrophobicContact CE2-CD2 4.33Å; F217-L535 HydrophobicContact CE2-CG 3.84Å; F217-L535 HydrophobicContact CZ-CD1 4.48Å; F217-C536 PolarHBondContact N-O 2.02Å; F217-L537 HydrophobicContact CB-CD2 3.77Å; F217-L537 CarbonylContact O-C 3.53Å; F217-L537 VanDerWaalsContact O-CA 3.31Å; F217-L537 WeakPolarHBondContact O-CA 3.35Å; F217-G538 PolarHBondContact O-N 3.45Å; F217-I582 HydrophobicContact CB-CG2 3.99Å; F217-I582 HydrophobicContact CD1-CG2 4.27Å; F217-I582 HydrophobicContact CG-CG2 4.34Å; F217-D584 HydrophobicContact CD1-CB 4.03Å; F217-D584 HydrophobicContact CE1-CB 3.97Å
218	C	85.3	Confident	73	Confident	13 Å²	13	64 Å²	64	9%	0.088	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	161.4	178	-61.7	0	0	0	0	110	C543 I582 I583	C218-C543 HydrophobicContact CB-CB 3.52Å; C218-C543 WeakPolarHBondContact SG-CB 3.35Å; C218-I582 CarbonylContact O-C 3.56Å; C218-I582 WeakPolarHBondContact O-CA 3.05Å; C218-I583 PolarHBondContact N-O 2.85Å; C218-I583 PolarHBondContact O-N 3.28Å
219	V	87.6	Confident	75.5	Confident	5 Å²	5	58 Å²	58	3%	0.03	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	132	175.6	-69.3	0	0	0	0	109.1	L537 G545 F547 I564 Y580 K581	V219-L537 HydrophobicContact CG1-CD1 4.01Å; V219-L537 HydrophobicContact CG1-CD2 4.45Å; V219-G545 WeakPolarHBondContact O-CA 3.27Å; V219-F547 HydrophobicContact CG2-CB 4.09Å; V219-F547 HydrophobicContact CG2-CD1 4.37Å; V219-I564 HydrophobicContact CG1-CD1 3.87Å; V219-Y580 HydrophobicContact CB-CD1 4.42Å; V219-K581 CarbonylContact C-O 3.57Å; V219-K581 WeakPolarHBondContact CA-O 3.45Å
220	Q	87.6	Confident	77.9	Confident	95 Å²	95	58.1 Å²	58.1	44%	0.444	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	125.6	176.3	176.7	175.9	-9.7	0	0	109.3	V222 Y580 K581 I583	Q220-V222 PolarHBondContact O-N 3.23Å; Q220-Y580 CarbonylContact O-C 3.41Å; Q220-Y580 WeakPolarHBondContact O-CA 3.23Å; Q220-K581 PolarHBondContact N-O 3.2Å; Q220-K581 PolarHBondContact O-N 3.37Å; Q220-I583 HydrophobicContact CB-CD1 3.46Å; Q220-I583 VanDerWaalsContact CB-CD1 3.46Å; Q220-I583 HydrophobicContact CG-CD1 4.34Å
221	E	90.2	Very high	80.6	Confident	81 Å²	81	53.5 Å²	53.5	38%	0.379	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	127.5	172.6	-172.8	173.9	147.6	0	0	109.5	S224 K578 Y580	E221-S224 WeakPolarHBondContact OE1-CB 3Å; E221-S224 PolarHBondContact OE1-OG 3.37Å; E221-K578 IonicContact OE1-NZ 3.15Å; E221-K578 IonicContact OE2-NZ 3.81Å; E221-K578 PolarHBondContact OE2-NZ 2.98Å; E221-Y580 HydrophobicContact CB-CD1 3.93Å; E221-Y580 HydrophobicContact CB-CE1 3.77Å; E221-Y580 HydrophobicContact CG-CE1 4.22Å
222	V	91.8	Very high	83.3	Confident	55 Å²	55	45.3 Å²	45.3	33%	0.333	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	-51.8	179.2	-175.3	0	0	0	0	109.6	Q220 L254 Y563 L579 K581	Q220-V222 PolarHBondContact O-N 3.23Å; V222-L254 HydrophobicContact CG1-CD2 3.85Å; V222-Y563 HydrophobicContact CG2-CD1 4.25Å; V222-Y563 HydrophobicContact CG2-CE1 4.05Å; V222-L579 HydrophobicContact CB-CD2 4.34Å; V222-L579 HydrophobicContact CG1-CD2 4.47Å; V222-L579 PolarHBondContact N-O 2.97Å; V222-K581 HydrophobicContact CG2-CB 3.81Å
223	V	92.7	Very high	85.8	Confident	16 Å²	16	41.8 Å²	41.8	10%	0.097	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	155	178.4	-69	0	0	0	0	111.1	L226 I244 L254 I260 K578 L579	V223-L226 HydrophobicContact CG2-CD1 4.33Å; V223-I244 HydrophobicContact CG2-CD1 4.22Å; V223-L254 HydrophobicContact CG1-CD1 3.7Å; V223-L254 HydrophobicContact CG1-CD2 4.44Å; V223-L254 HydrophobicContact CG2-CD2 4.4Å; V223-I260 HydrophobicContact CB-CD1 3.94Å; V223-I260 HydrophobicContact CG1-CD1 3.97Å; V223-I260 HydrophobicContact CG1-CG1 4.12Å; V223-I260 HydrophobicContact CG2-CD1 4.05Å; V223-K578 WeakPolarHBondContact O-CA 3.02Å; V223-L579 HydrophobicContact CG2-CB 3.6Å; V223-L579 HydrophobicContact CG2-CD2 4Å; V223-L579 HydrophobicContact CG2-CG 4.45Å; V223-L579 PolarHBondContact O-N 3.06Å
224	S	91.2	Very high	88.3	Confident	61 Å²	61	40.8 Å²	40.8	43%	0.427	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	174.5	175.3	53.5	0	0	0	0	111.3	E221 G577	E221-S224 WeakPolarHBondContact OE1-CB 3Å; E221-S224 PolarHBondContact OE1-OG 3.37Å; S224-G577 CarbonylContact C-O 3.58Å; S224-G577 WeakPolarHBondContact CA-O 3.32Å
225	G	89.3	Confident	90.4	Very high	36 Å²	36	34.6 Å²	34.6	37%	0.371	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	82.3	15.8	-178.9	0	0	0	0	0	114.7	G577	G225-G577 PolarHBondContact N-O 2.03Å
226	L	91.8	Very high	91.6	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	149.2	176	-57.9	173.1	0	0	0	111.2	V223 P229 I244 I260 G577 L579	V223-L226 HydrophobicContact CG2-CD1 4.33Å; L226-P229 HydrophobicContact CB-CB 4.16Å; L226-P229 HydrophobicContact CB-CG 3.99Å; L226-P229 HydrophobicContact CD1-CB 4.1Å; L226-P229 HydrophobicContact CD1-CG 4.22Å; L226-I244 HydrophobicContact CD1-CD1 4.31Å; L226-I244 HydrophobicContact CD1-CG2 4Å; L226-I244 HydrophobicContact CD2-CD1 4.14Å; L226-I244 HydrophobicContact CD2-CG2 4.2Å; L226-I260 HydrophobicContact CD2-CD1 4Å; L226-G577 WeakPolarHBondContact CB-O 3.37Å; L226-G577 PolarHBondContact N-O 2.85Å; L226-G577 WeakPolarHBondContact O-CA 2.86Å; L226-G577 PolarHBondContact O-N 3.06Å; L226-L579 HydrophobicContact CD1-CB 4.18Å
227	R	90.4	Very high	92.3	Very high	90 Å²	90	32.7 Å²	32.7	34%	0.34	19%	0.192	S	C	.	.	S	Bend	trans	-99.6	103.5	179.2	-48.2	-168.8	167.4	165.8	-0.9	109.5	E246 H575	R227-E246 HydrophobicContact CB-CG 4.43Å; R227-E246 PolarHBondContact N-OE1 2.9Å; R227-E246 WeakPolarHBondContact O-CB 3.43Å; R227-E246 VanDerWaalsContact O-CG 3.28Å; R227-E246 WeakPolarHBondContact O-CG 3.47Å; R227-H575 VanDerWaalsContact CD-CE1 3.42Å; R227-H575 WeakPolarHBondContact CD-CE1 3.25Å; R227-H575 WeakPolarHBondContact CD-ND1 3.44Å; R227-H575 VanDerWaalsContact CG-ND1 3.28Å; R227-H575 WeakPolarHBondContact CG-ND1 3.4Å; R227-H575 PolarHBondContact NE-CE1 3.16Å; R227-H575 VanDerWaalsContact NE-CE1 3.29Å
228	Q	88.8	Confident	92.7	Very high	25 Å²	25	33 Å²	33	12%	0.117	20%	0.198	C	C	.	.	S	Bend	trans	46.2	58.6	176.3	-49.5	-163.3	31.7	0	0	113.2	V230 K247 E248 M571	Q228-V230 PolarHBondContact O-N 2.95Å; Q228-K247 HydrophobicContact CB-CB 3.83Å; Q228-K247 WeakPolarHBondContact O-CB 3.22Å; Q228-K247 PolarHBondContact O-N 3.44Å; Q228-E248 PolarHBondContact NE2-OE1 2.83Å; Q228-M571 HydrophobicContact CB-CE 3.67Å; Q228-M571 HydrophobicContact CB-SD 3.88Å; Q228-M571 WeakPolarHBondContact CG-O 3.39Å; Q228-M571 HydrophobicContact CG-SD 4.46Å; Q228-M571 PolarHBondContact NE2-O 2.75Å; Q228-M571 PolarHBondContact OE1-O 3.1Å; Q228-M571 VanDerWaalsContact OE1-O 3.08Å
229	P	93.7	Very high	93.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	133.5	-174.9	30	-35.8	0	0	0	111.4	L226 I244 L245 L552 L565	L226-P229 HydrophobicContact CB-CB 4.16Å; L226-P229 HydrophobicContact CB-CG 3.99Å; L226-P229 HydrophobicContact CD1-CB 4.1Å; L226-P229 HydrophobicContact CD1-CG 4.22Å; P229-I244 HydrophobicContact CB-CG2 4.39Å; P229-L245 CarbonylContact C-O 3.5Å; P229-L245 VanDerWaalsContact CA-O 3.3Å; P229-L245 WeakPolarHBondContact CA-O 3.41Å; P229-L552 HydrophobicContact CG-CD1 4.13Å; P229-L552 VanDerWaalsContact O-CB 3.32Å; P229-L552 WeakPolarHBondContact O-CB 3.36Å; P229-L565 HydrophobicContact CB-CB 4.21Å; P229-L565 HydrophobicContact CB-CD2 3.58Å; P229-L565 HydrophobicContact CB-CG 4.49Å; P229-L565 HydrophobicContact CG-CB 4.2Å; P229-L565 HydrophobicContact CG-CD2 4.4Å
230	V	93.9	Very high	93.5	Very high	35 Å²	35	33.7 Å²	33.7	21%	0.212	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	-24.5	-177.5	-61.4	0	0	0	0	113.4	Q228 L245 K247	Q228-V230 PolarHBondContact O-N 2.95Å; V230-L245 HydrophobicContact CG2-CB 3.48Å; V230-L245 VanDerWaalsContact CG2-CB 3.48Å; V230-L245 HydrophobicContact CG2-CD2 4.19Å; V230-L245 PolarHBondContact N-O 3.31Å; V230-K247 HydrophobicContact CG1-CB 3.72Å; V230-K247 HydrophobicContact CG1-CD 4.37Å; V230-K247 HydrophobicContact CG1-CG 4.16Å
231	G	95.9	Very high	94	Very high	11 Å²	11	29.6 Å²	29.6	11%	0.113	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175	167.3	-177.3	0	0	0	0	0	112	L245	G231-L245 PolarHBondContact O-N 3.02Å
232	A	97.6	Very high	94.3	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	138.8	168.9	0	0	0	0	0	111.3	L242 F243 I244 F554 G555 E556 L565	A232-L242 HydrophobicContact CB-CD1 3.98Å; A232-L242 HydrophobicContact CB-CD2 3.95Å; A232-L242 HydrophobicContact CB-CG 3.91Å; A232-F243 CarbonylContact C-O 3.58Å; A232-F243 WeakPolarHBondContact CA-O 3.33Å; A232-I244 HydrophobicContact CB-CG1 4.19Å; A232-F554 PolarHBondContact N-O 2.82Å; A232-G555 CarbonylContact O-C 3.59Å; A232-G555 WeakPolarHBondContact O-CA 3.29Å; A232-E556 PolarHBondContact O-N 3.07Å; A232-E556 VanDerWaalsContact O-N 3.14Å; A232-L565 HydrophobicContact CB-CD1 4.5Å; A232-L565 HydrophobicContact CB-CD2 4.31Å
233	V	97.7	Very high	94.7	Very high	39 Å²	39	23.4 Å²	23.4	24%	0.236	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	153.9	-176.3	-65.9	0	0	0	0	110.9	F243 L245 L287 F289	V233-F243 HydrophobicContact CG2-CB 4.47Å; V233-F243 PolarHBondContact N-O 3.23Å; V233-F243 WeakPolarHBondContact O-CB 3.32Å; V233-F243 WeakPolarHBondContact O-CD2 3.44Å; V233-F243 PolarHBondContact O-N 2.98Å; V233-L245 HydrophobicContact CG2-CD1 4.22Å; V233-L287 HydrophobicContact CG2-CB 4.42Å; V233-L287 HydrophobicContact CG2-CD2 3.88Å; V233-L287 HydrophobicContact CG2-CG 4.21Å; V233-F289 HydrophobicContact CG2-CD2 4.32Å; V233-F289 HydrophobicContact CG2-CE2 4.07Å
234	H	97.4	Very high	94.9	Very high	53 Å²	53	22.7 Å²	22.7	25%	0.245	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	164.2	172.3	70.5	93	0	0	0	112	G236 F289 E556 D557 E558	H234-G236 PolarHBondContact ND1-N 3.45Å; H234-F289 VanDerWaalsContact O-CD2 3.23Å; H234-F289 WeakPolarHBondContact O-CD2 3.49Å; H234-E556 PolarHBondContact N-O 3.17Å; H234-D557 VanDerWaalsContact CD2-C 3.46Å; H234-D557 PolarHBondContact CD2-O 2.84Å; H234-D557 VanDerWaalsContact CD2-O 3.27Å; H234-E558 HydrophobicContact CB-CB 3.94Å
235	S	97	Very high	95.3	Very high	6 Å²	6	20 Å²	20	4%	0.042	12%	0.124	C	C	.	.			trans	-94.8	-14.6	-179.3	44.5	0	0	0	0	115.7	D237 F243	S235-D237 VanDerWaalsContact C-N 3.3Å; S235-D237 PolarHBondContact O-N 3.33Å; S235-D237 VanDerWaalsContact OG-CG 3.24Å; S235-D237 PolarHBondContact OG-OD1 2.04Å; S235-D237 PolarHBondContact OG-OD2 3.32Å; S235-F243 WeakPolarHBondContact OG-CE2 3.44Å
236	G	95.3	Very high	95.6	Very high	42 Å²	42	18.3 Å²	18.3	43%	0.433	11%	0.106	S	C	.	.	S	Bend	trans	70.1	24.8	179.7	0	0	0	0	0	113.8	H234 E558	H234-G236 PolarHBondContact ND1-N 3.45Å; G236-E558 WeakPolarHBondContact CA-OE1 3.06Å
237	D	95.5	Very high	95.6	Very high	14 Å²	14	19 Å²	19	8%	0.075	11%	0.109	C	C	.	.	S	Bend	trans	-98.7	-2.3	-179	61.6	-12.4	0	0	0	113.9	S235 S239 R241 Y293 K294 E558	S235-D237 VanDerWaalsContact C-N 3.3Å; S235-D237 PolarHBondContact O-N 3.33Å; S235-D237 VanDerWaalsContact OG-CG 3.24Å; S235-D237 PolarHBondContact OG-OD1 2.04Å; S235-D237 PolarHBondContact OG-OD2 3.32Å; D237-S239 VanDerWaalsContact CG-OG 3.28Å; D237-S239 WeakPolarHBondContact OD1-CB 3.17Å; D237-S239 PolarHBondContact OD1-N 3.12Å; D237-S239 PolarHBondContact OD1-OG 2.81Å; D237-S239 PolarHBondContact OD2-OG 3.18Å; D237-R241 IonicContact OD2-CZ 2.82Å; D237-R241 IonicContact OD2-NH2 2.74Å; D237-R241 PolarHBondContact OD2-NH2 2.6Å; D237-Y293 HydrophobicContact CB-CD1 4.31Å; D237-K294 HydrophobicContact CB-CB 3.99Å; D237-K294 HydrophobicContact CB-CG 4.2Å; D237-K294 WeakPolarHBondContact O-CD 3.33Å; D237-K294 WeakPolarHBondContact O-CE 3.42Å; D237-K294 PolarHBondContact O-NZ 2.74Å; D237-E558 PolarHBondContact N-OE1 3.37Å; D237-E558 VanDerWaalsContact N-OE1 3.12Å
238	G	95.3	Very high	95.8	Very high	16 Å²	16	17 Å²	17	17%	0.165	10%	0.104	C	C	.	.	S	Bend	trans	85.2	5.2	-174.6	0	0	0	0	0	113.8	H240 E558 Q599	G238-H240 PolarHBondContact O-CD2 2.64Å; G238-H240 VanDerWaalsContact O-CD2 3.3Å; G238-E558 VanDerWaalsContact CA-OE1 3.29Å; G238-E558 WeakPolarHBondContact CA-OE1 2.76Å; G238-E558 WeakPolarHBondContact CA-OE2 3.22Å; G238-E558 PolarHBondContact N-OE1 2.61Å; G238-E558 PolarHBondContact N-OE2 2.84Å; G238-Q599 PolarHBondContact O-N 3.41Å
239	S	95.6	Very high	96.1	Very high	4 Å²	4	15.8 Å²	15.8	3%	0.028	10%	0.098	C	C	.	.	S	Bend	trans	-84.9	-10.8	-176.4	71.6	0	0	0	0	114.3	D237 R241 E558 V598 Q599	D237-S239 VanDerWaalsContact CG-OG 3.28Å; D237-S239 WeakPolarHBondContact OD1-CB 3.17Å; D237-S239 PolarHBondContact OD1-N 3.12Å; D237-S239 PolarHBondContact OD1-OG 2.81Å; D237-S239 PolarHBondContact OD2-OG 3.18Å; S239-R241 PolarHBondContact O-N 3.28Å; S239-R241 WeakPolarHBondContact OG-CG 3.42Å; S239-R241 PolarHBondContact OG-NE 2.76Å; S239-E558 PolarHBondContact N-OE2 2.68Å; S239-V598 WeakPolarHBondContact O-CG1 3.36Å; S239-Q599 WeakPolarHBondContact CA-O 3.16Å; S239-Q599 WeakPolarHBondContact CB-O 3.11Å
240	H	95.3	Very high	96.3	Very high	27 Å²	27	17.7 Å²	17.7	13%	0.125	11%	0.106	C	C	.	.			trans	54.1	20.8	-175.9	-62.1	-91.3	0	0	0	113.9	G238 P256 E558	G238-H240 PolarHBondContact O-CD2 2.64Å; G238-H240 VanDerWaalsContact O-CD2 3.3Å; H240-P256 HydrophobicContact CB-CB 4.13Å; H240-P256 HydrophobicContact CB-CG 4.33Å; H240-E558 WeakPolarHBondContact CA-OE2 3.29Å; H240-E558 IonicContact CD2-OE2 2.65Å; H240-E558 IonicContact CG-OE2 2.75Å; H240-E558 PolarHBondContact N-OE2 3.48Å
241	R	96.9	Very high	96.5	Very high	9 Å²	9	16 Å²	16	3%	0.034	10%	0.096	C	C	.	.			trans	-72.2	136	172.7	-68.6	-178.2	-63.4	162	-5.5	109.7	D237 S239 F243 I253 P331 H332 A601	D237-R241 IonicContact OD2-CZ 2.82Å; D237-R241 IonicContact OD2-NH2 2.74Å; D237-R241 PolarHBondContact OD2-NH2 2.6Å; S239-R241 PolarHBondContact O-N 3.28Å; S239-R241 WeakPolarHBondContact OG-CG 3.42Å; S239-R241 PolarHBondContact OG-NE 2.76Å; R241-F243 HydrophobicContact CB-CE2 3.88Å; R241-F243 HydrophobicContact CB-CZ 4.23Å; R241-I253 HydrophobicContact CB-CG2 4.19Å; R241-I253 HydrophobicContact CG-CG2 4.1Å; R241-P331 PolarHBondContact NH1-O 3.29Å; R241-H332 PolarHBondContact NH1-ND1 2.91Å; R241-H332 VanDerWaalsContact NH1-ND1 3.15Å; R241-A601 VanDerWaalsContact CZ-CB 3.42Å; R241-A601 VanDerWaalsContact NH2-CB 3.26Å
242	L	98.2	Very high	96.6	Very high	7 Å²	7	17.4 Å²	17.4	4%	0.037	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	125.5	172.8	-171.7	71.2	0	0	0	109.5	A232 L254 E556 D557 Y563 L579	A232-L242 HydrophobicContact CB-CD1 3.98Å; A232-L242 HydrophobicContact CB-CD2 3.95Å; A232-L242 HydrophobicContact CB-CG 3.91Å; L242-L254 HydrophobicContact CB-CB 4.24Å; L242-L254 HydrophobicContact CD2-CD2 4.14Å; L242-L254 PolarHBondContact N-O 3.26Å; L242-L254 PolarHBondContact O-N 3.34Å; L242-E556 WeakPolarHBondContact CD1-O 3.48Å; L242-D557 HydrophobicContact CD1-CB 4.34Å; L242-Y563 HydrophobicContact CD2-CD2 4.45Å; L242-L579 HydrophobicContact CD2-CD2 3.7Å
243	F	98.5	Very high	96.6	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	110.2	-179.4	-63.1	-97.5	0	0	0	108.9	A232 V233 S235 R241 V251 K252 I253 Y265 L287 F289	A232-F243 CarbonylContact C-O 3.58Å; A232-F243 WeakPolarHBondContact CA-O 3.33Å; V233-F243 HydrophobicContact CG2-CB 4.47Å; V233-F243 PolarHBondContact N-O 3.23Å; V233-F243 WeakPolarHBondContact O-CB 3.32Å; V233-F243 WeakPolarHBondContact O-CD2 3.44Å; V233-F243 PolarHBondContact O-N 2.98Å; S235-F243 WeakPolarHBondContact OG-CE2 3.44Å; R241-F243 HydrophobicContact CB-CE2 3.88Å; R241-F243 HydrophobicContact CB-CZ 4.23Å; F243-V251 HydrophobicContact CB-CG1 3.83Å; F243-V251 HydrophobicContact CD1-CG1 4.08Å; F243-V251 HydrophobicContact CG-CG1 4.46Å; F243-K252 CarbonylContact C-O 3.58Å; F243-K252 WeakPolarHBondContact CA-O 3.25Å; F243-I253 HydrophobicContact CD1-CG1 3.98Å; F243-I253 HydrophobicContact CE1-CD1 4.06Å; F243-I253 HydrophobicContact CE1-CG1 3.81Å; F243-Y265 AromaticContact CD1-CD1 3.65Å; F243-Y265 HydrophobicContact CD1-CD1 3.65Å; F243-Y265 HydrophobicContact CD1-CD2 4.4Å; F243-Y265 HydrophobicContact CD1-CE1 4.03Å; F243-Y265 AromaticContact CD1-CG 3.86Å; F243-Y265 HydrophobicContact CD1-CG 3.86Å; F243-Y265 AromaticContact CE1-CD1 3.72Å; F243-Y265 HydrophobicContact CE1-CD1 3.72Å; F243-Y265 AromaticContact CE1-CD2 3.75Å; F243-Y265 HydrophobicContact CE1-CD2 3.75Å; F243-Y265 AromaticContact CE1-CE1 3.84Å; F243-Y265 HydrophobicContact CE1-CE1 3.84Å; F243-Y265 AromaticContact CE1-CE2 3.88Å; F243-Y265 HydrophobicContact CE1-CE2 3.88Å; F243-Y265 AromaticContact CE1-CG 3.67Å; F243-Y265 HydrophobicContact CE1-CG 3.67Å; F243-Y265 AromaticContact CE1-CZ 3.94Å; F243-L287 HydrophobicContact CB-CD2 4.22Å; F243-F289 HydrophobicContact CB-CE2 4.16Å; F243-F289 HydrophobicContact CB-CZ 4.31Å; F243-F289 HydrophobicContact CD1-CE2 4.38Å; F243-F289 AromaticContact CD1-CZ 3.74Å; F243-F289 HydrophobicContact CD1-CZ 3.74Å; F243-F289 AromaticContact CD2-CE2 3.58Å; F243-F289 HydrophobicContact CD2-CE2 3.58Å; F243-F289 AromaticContact CD2-CZ 3.61Å; F243-F289 HydrophobicContact CD2-CZ 3.61Å; F243-F289 AromaticContact CE1-CZ 3.84Å; F243-F289 HydrophobicContact CE1-CZ 3.84Å; F243-F289 HydrophobicContact CE2-CE2 4.03Å; F243-F289 AromaticContact CE2-CZ 3.75Å; F243-F289 HydrophobicContact CE2-CZ 3.75Å; F243-F289 AromaticContact CG-CE2 3.78Å; F243-F289 HydrophobicContact CG-CE2 3.78Å; F243-F289 AromaticContact CG-CZ 3.6Å; F243-F289 HydrophobicContact CG-CZ 3.6Å; F243-F289 HydrophobicContact CZ-CE1 4.41Å; F243-F289 AromaticContact CZ-CZ 3.83Å; F243-F289 HydrophobicContact CZ-CZ 3.83Å
244	I	98.4	Very high	96.6	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	123.7	-177.6	-55.7	173	0	0	0	108.5	V223 L226 P229 A232 V251 K252 L254 L565 L579	V223-I244 HydrophobicContact CG2-CD1 4.22Å; L226-I244 HydrophobicContact CD1-CD1 4.31Å; L226-I244 HydrophobicContact CD1-CG2 4Å; L226-I244 HydrophobicContact CD2-CD1 4.14Å; L226-I244 HydrophobicContact CD2-CG2 4.2Å; P229-I244 HydrophobicContact CB-CG2 4.39Å; A232-I244 HydrophobicContact CB-CG1 4.19Å; I244-V251 CarbonylContact O-C 3.54Å; I244-V251 WeakPolarHBondContact O-CA 3.45Å; I244-K252 PolarHBondContact N-O 2.93Å; I244-K252 PolarHBondContact O-N 3.39Å; I244-L254 HydrophobicContact CD1-CB 4.05Å; I244-L254 HydrophobicContact CD1-CD2 4.39Å; I244-L565 HydrophobicContact CG2-CD2 4.11Å; I244-L579 HydrophobicContact CD1-CD2 4.08Å
245	L	98.1	Very high	96.6	Very high	5 Å²	5	14 Å²	14	3%	0.026	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	127.8	178.9	-70.1	71	0	0	0	109.7	P229 V230 G231 V233 L284 L287	P229-L245 CarbonylContact C-O 3.5Å; P229-L245 VanDerWaalsContact CA-O 3.3Å; P229-L245 WeakPolarHBondContact CA-O 3.41Å; V230-L245 HydrophobicContact CG2-CB 3.48Å; V230-L245 VanDerWaalsContact CG2-CB 3.48Å; V230-L245 HydrophobicContact CG2-CD2 4.19Å; V230-L245 PolarHBondContact N-O 3.31Å; G231-L245 PolarHBondContact O-N 3.02Å; V233-L245 HydrophobicContact CG2-CD1 4.22Å; L245-L284 HydrophobicContact CB-CD2 4.01Å; L245-L284 HydrophobicContact CD2-CD2 4.27Å; L245-L284 HydrophobicContact CD2-CG 4.28Å; L245-L284 HydrophobicContact CG-CD2 4.12Å; L245-L287 HydrophobicContact CD1-CB 4.03Å; L245-L287 HydrophobicContact CD1-CD2 4.06Å; L245-L287 HydrophobicContact CD2-CB 3.68Å; L245-L287 HydrophobicContact CG-CB 4.09Å
246	E	95.6	Very high	96.3	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	128.7	173.1	-65.8	-169.9	148.4	0	0	109.4	R227 E248 G249 Y250 K252	R227-E246 HydrophobicContact CB-CG 4.43Å; R227-E246 PolarHBondContact N-OE1 2.9Å; R227-E246 WeakPolarHBondContact O-CB 3.43Å; R227-E246 VanDerWaalsContact O-CG 3.28Å; R227-E246 WeakPolarHBondContact O-CG 3.47Å; E246-E248 PolarHBondContact O-N 3.17Å; E246-G249 PolarHBondContact O-N 2.82Å; E246-Y250 PolarHBondContact N-O 2.81Å; E246-Y250 PolarHBondContact O-N 2.8Å; E246-K252 VanDerWaalsContact CD-NZ 3.26Å; E246-K252 WeakPolarHBondContact OE1-CE 3.38Å; E246-K252 IonicContact OE1-NZ 3.77Å; E246-K252 PolarHBondContact OE1-NZ 3.45Å; E246-K252 WeakPolarHBondContact OE2-CE 3.21Å; E246-K252 IonicContact OE2-NZ 2.68Å; E246-K252 PolarHBondContact OE2-NZ 3.41Å
247	K	93.6	Very high	96	Very high	15 Å²	15	21.4 Å²	21.4	7%	0.065	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-29.5	-171.5	-170.9	170.6	174.1	175.9	0	114.8	Q228 V230 G249 D280 R282 G283 L284 M571	Q228-K247 HydrophobicContact CB-CB 3.83Å; Q228-K247 WeakPolarHBondContact O-CB 3.22Å; Q228-K247 PolarHBondContact O-N 3.44Å; V230-K247 HydrophobicContact CG1-CB 3.72Å; V230-K247 HydrophobicContact CG1-CD 4.37Å; V230-K247 HydrophobicContact CG1-CG 4.16Å; K247-G249 PolarHBondContact O-N 2.79Å; K247-D280 PolarHBondContact NZ-O 2.57Å; K247-R282 WeakPolarHBondContact CE-O 3.31Å; K247-G283 CarbonylContact O-C 3.6Å; K247-G283 VanDerWaalsContact O-CA 3.25Å; K247-G283 WeakPolarHBondContact O-CA 3.35Å; K247-L284 PolarHBondContact O-N 3.13Å; K247-M571 HydrophobicContact CD-SD 3.49Å; K247-M571 WeakPolarHBondContact CD-SD 3.1Å
248	E	93.1	Very high	95.8	Very high	49 Å²	49	22.3 Å²	22.3	23%	0.229	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-5.7	179.2	-68.1	174.5	-175.1	0	0	113.5	Q228 E246 Y250 H269	Q228-E248 PolarHBondContact NE2-OE1 2.83Å; E246-E248 PolarHBondContact O-N 3.17Å; E248-Y250 HydrophobicContact CB-CD2 4.05Å; E248-Y250 HydrophobicContact CB-CE2 3.9Å; E248-H269 VanDerWaalsContact O-CA 3.23Å; E248-H269 WeakPolarHBondContact O-CA 3.37Å; E248-H269 WeakPolarHBondContact O-CB 3.39Å
249	G	96.1	Very high	95.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	106.5	29.2	177.4	0	0	0	0	0	114.6	E246 K247 I268 H269	E246-G249 PolarHBondContact O-N 2.82Å; K247-G249 PolarHBondContact O-N 2.79Å; G249-I268 WeakPolarHBondContact O-CG1 3.12Å; G249-I268 PolarHBondContact O-N 3.18Å; G249-H269 PolarHBondContact O-N 2.62Å
250	Y	97.4	Very high	95.7	Very high	39 Å²	39	29.5 Å²	29.5	15%	0.153	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	147	175.8	-53.3	-85.3	0	0	0	111.5	E246 E248 P264 L266 D267 H269	E246-Y250 PolarHBondContact N-O 2.81Å; E246-Y250 PolarHBondContact O-N 2.8Å; E248-Y250 HydrophobicContact CB-CD2 4.05Å; E248-Y250 HydrophobicContact CB-CE2 3.9Å; Y250-P264 HydrophobicContact CD1-CB 4.44Å; Y250-P264 HydrophobicContact CD1-CG 4.44Å; Y250-L266 WeakPolarHBondContact CA-O 3.37Å; Y250-D267 HydrophobicContact CD1-CB 4.2Å; Y250-D267 HydrophobicContact CE1-CB 4.4Å; Y250-D267 WeakPolarHBondContact CE1-OD1 3.11Å; Y250-H269 HydrophobicContact CE1-CB 4.08Å; Y250-H269 AromaticContact CE1-ND1 3.72Å; Y250-H269 HydrophobicContact CE2-CB 3.85Å; Y250-H269 AromaticContact CZ-CG 3.67Å; Y250-H269 AromaticContact CZ-ND1 3.71Å; Y250-H269 PolarHBondContact OH-ND1 2.85Å
251	V	98.5	Very high	95.7	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	121	166.3	-176.7	0	0	0	0	108.5	F243 I244 P264 Y265 L266 L284 L287	F243-V251 HydrophobicContact CB-CG1 3.83Å; F243-V251 HydrophobicContact CD1-CG1 4.08Å; F243-V251 HydrophobicContact CG-CG1 4.46Å; I244-V251 CarbonylContact O-C 3.54Å; I244-V251 WeakPolarHBondContact O-CA 3.45Å; V251-P264 CarbonylContact O-C 3.55Å; V251-P264 WeakPolarHBondContact O-CA 3.07Å; V251-Y265 HydrophobicContact CB-CD1 4.3Å; V251-Y265 HydrophobicContact CG1-CD1 3.96Å; V251-Y265 WeakPolarHBondContact O-CB 3.47Å; V251-Y265 PolarHBondContact O-N 3.46Å; V251-L266 HydrophobicContact CB-CB 4Å; V251-L266 HydrophobicContact CG2-CB 3.97Å; V251-L266 HydrophobicContact CG2-CD2 4.29Å; V251-L266 PolarHBondContact N-O 2.74Å; V251-L266 PolarHBondContact O-N 3.4Å; V251-L284 HydrophobicContact CG2-CD2 4.02Å; V251-L287 HydrophobicContact CG1-CD2 4.14Å; V251-L287 HydrophobicContact CG2-CD2 4.44Å
252	K	97.8	Very high	95.5	Very high	40 Å²	40	40.4 Å²	40.4	17%	0.174	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	147.6	178.2	-70.7	-179.6	176.6	163.1	0	111	F243 I244 E246 I260	F243-K252 CarbonylContact C-O 3.58Å; F243-K252 WeakPolarHBondContact CA-O 3.25Å; I244-K252 PolarHBondContact N-O 2.93Å; I244-K252 PolarHBondContact O-N 3.39Å; E246-K252 VanDerWaalsContact CD-NZ 3.26Å; E246-K252 WeakPolarHBondContact OE1-CE 3.38Å; E246-K252 IonicContact OE1-NZ 3.77Å; E246-K252 PolarHBondContact OE1-NZ 3.45Å; E246-K252 WeakPolarHBondContact OE2-CE 3.21Å; E246-K252 IonicContact OE2-NZ 2.68Å; E246-K252 PolarHBondContact OE2-NZ 3.41Å; K252-I260 HydrophobicContact CB-CG2 4.26Å; K252-I260 HydrophobicContact CD-CG2 4.14Å
253	I	98.3	Very high	95.3	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	125.7	174	-63.1	172.8	0	0	0	108.1	R241 F243 T255 I260 F261 Y265 H332	R241-I253 HydrophobicContact CB-CG2 4.19Å; R241-I253 HydrophobicContact CG-CG2 4.1Å; F243-I253 HydrophobicContact CD1-CG1 3.98Å; F243-I253 HydrophobicContact CE1-CD1 4.06Å; F243-I253 HydrophobicContact CE1-CG1 3.81Å; I253-T255 HydrophobicContact CG2-CG2 4.47Å; I253-I260 WeakPolarHBondContact O-CA 3.42Å; I253-F261 HydrophobicContact CB-CB 4.44Å; I253-F261 HydrophobicContact CB-CD2 3.99Å; I253-F261 HydrophobicContact CB-CG 4.36Å; I253-F261 HydrophobicContact CD1-CD2 3.99Å; I253-F261 HydrophobicContact CD1-CE2 4.36Å; I253-F261 HydrophobicContact CG2-CD2 4.15Å; I253-F261 HydrophobicContact CG2-CE2 4.31Å; I253-F261 PolarHBondContact O-N 3.47Å; I253-Y265 HydrophobicContact CD1-CD2 3.92Å; I253-Y265 HydrophobicContact CD1-CG 4.25Å; I253-Y265 HydrophobicContact CG1-CG 4.4Å; I253-H332 HydrophobicContact CD1-CB 3.89Å
254	L	97.7	Very high	95.3	Very high	7 Å²	7	47 Å²	47	4%	0.037	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	121.5	161.6	175.1	64.1	0	0	0	108	V222 V223 L242 I244 G258 D259 I260 L579	V222-L254 HydrophobicContact CG1-CD2 3.85Å; V223-L254 HydrophobicContact CG1-CD1 3.7Å; V223-L254 HydrophobicContact CG1-CD2 4.44Å; V223-L254 HydrophobicContact CG2-CD2 4.4Å; L242-L254 HydrophobicContact CB-CB 4.24Å; L242-L254 HydrophobicContact CD2-CD2 4.14Å; L242-L254 PolarHBondContact N-O 3.26Å; L242-L254 PolarHBondContact O-N 3.34Å; I244-L254 HydrophobicContact CD1-CB 4.05Å; I244-L254 HydrophobicContact CD1-CD2 4.39Å; L254-G258 WeakPolarHBondContact CD1-O 3.3Å; L254-D259 WeakPolarHBondContact CA-O 3.07Å; L254-I260 HydrophobicContact CD1-CG1 4Å; L254-L579 HydrophobicContact CD2-CD2 3.72Å
255	T	95.6	Very high	95.3	Very high	14 Å²	14	47 Å²	47	9%	0.086	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-79.1	158.1	177.4	77	0	0	0	0	110.7	I253 E257 G258 D259 F261	I253-T255 HydrophobicContact CG2-CG2 4.47Å; T255-E257 WeakPolarHBondContact CB-OE2 3.47Å; T255-E257 PolarHBondContact O-N 2.97Å; T255-E257 PolarHBondContact OG1-N 3.21Å; T255-E257 PolarHBondContact OG1-OE2 3.38Å; T255-G258 PolarHBondContact O-N 3.23Å; T255-D259 PolarHBondContact N-O 3.32Å; T255-D259 PolarHBondContact OG1-N 2.8Å; T255-F261 HydrophobicContact CG2-CD1 4.04Å; T255-F261 HydrophobicContact CG2-CE1 3.46Å; T255-F261 VanDerWaalsContact CG2-CE1 3.46Å; T255-F261 HydrophobicContact CG2-CZ 3.78Å
256	P	92	Very high	95.3	Very high	62 Å²	62	46.9 Å²	46.9	40%	0.403	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-20.6	176.1	23.4	-32.5	0	0	0	113.3	H240 G258 V598	H240-P256 HydrophobicContact CB-CB 4.13Å; H240-P256 HydrophobicContact CB-CG 4.33Å; P256-G258 PolarHBondContact O-N 3.28Å; P256-V598 HydrophobicContact CG-CG1 4.14Å; P256-V598 HydrophobicContact CG-CG2 4.34Å
257	E	89.5	Confident	95.4	Very high	141 Å²	141	50 Å²	50	66%	0.659	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-14.5	173.2	-57.1	74.1	-155.5	0	0	113.1	T255	T255-E257 WeakPolarHBondContact CB-OE2 3.47Å; T255-E257 PolarHBondContact O-N 2.97Å; T255-E257 PolarHBondContact OG1-N 3.21Å; T255-E257 PolarHBondContact OG1-OE2 3.38Å
258	G	89.8	Confident	95.5	Very high	33 Å²	33	49.5 Å²	49.5	34%	0.34	25%	0.25	S	C	.	.	S	Bend	trans	102	4.9	178.1	0	0	0	0	0	115.1	L254 T255 P256	L254-G258 WeakPolarHBondContact CD1-O 3.3Å; T255-G258 PolarHBondContact O-N 3.23Å; P256-G258 PolarHBondContact O-N 3.28Å
259	D	93.4	Very high	95.7	Very high	109 Å²	109	50.2 Å²	50.2	58%	0.583	25%	0.253	S	S	*	.	P	Polyproline II helix	trans	-88.9	140.8	-179.1	-68.2	-45.4	0	0	0	112.1	L254 T255	L254-D259 WeakPolarHBondContact CA-O 3.07Å; T255-D259 PolarHBondContact N-O 3.32Å; T255-D259 PolarHBondContact OG1-N 2.8Å
260	I	95.5	Very high	95.6	Very high	62 Å²	62	58.9 Å²	58.9	32%	0.318	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-96.6	127.6	170.2	-64.4	179.7	0	0	0	109.4	V223 L226 K252 I253 L254 K262	V223-I260 HydrophobicContact CB-CD1 3.94Å; V223-I260 HydrophobicContact CG1-CD1 3.97Å; V223-I260 HydrophobicContact CG1-CG1 4.12Å; V223-I260 HydrophobicContact CG2-CD1 4.05Å; L226-I260 HydrophobicContact CD2-CD1 4Å; K252-I260 HydrophobicContact CB-CG2 4.26Å; K252-I260 HydrophobicContact CD-CG2 4.14Å; I253-I260 WeakPolarHBondContact O-CA 3.42Å; L254-I260 HydrophobicContact CD1-CG1 4Å; I260-K262 PolarHBondContact O-N 2.95Å
261	F	95.1	Very high	95.4	Very high	70 Å²	70	60.6 Å²	60.6	31%	0.307	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-66.5	135.4	172.6	-73.8	-6.2	0	0	0	112	I253 T255 H332	I253-F261 HydrophobicContact CB-CB 4.44Å; I253-F261 HydrophobicContact CB-CD2 3.99Å; I253-F261 HydrophobicContact CB-CG 4.36Å; I253-F261 HydrophobicContact CD1-CD2 3.99Å; I253-F261 HydrophobicContact CD1-CE2 4.36Å; I253-F261 HydrophobicContact CG2-CD2 4.15Å; I253-F261 HydrophobicContact CG2-CE2 4.31Å; I253-F261 PolarHBondContact O-N 3.47Å; T255-F261 HydrophobicContact CG2-CD1 4.04Å; T255-F261 HydrophobicContact CG2-CE1 3.46Å; T255-F261 VanDerWaalsContact CG2-CE1 3.46Å; T255-F261 HydrophobicContact CG2-CZ 3.78Å; F261-H332 HydrophobicContact CD2-CB 4.08Å; F261-H332 HydrophobicContact CE2-CB 3.82Å; F261-H332 AromaticContact CE2-CD2 3.76Å; F261-H332 AromaticContact CE2-CG 3.52Å; F261-H332 AromaticContact CE2-ND1 3.75Å
262	K	93.1	Very high	95.2	Very high	195 Å²	195	61 Å²	61	85%	0.848	31%	0.305	S	S	*	.	S	Bend	trans	-63.7	-44.7	178.4	-175.9	-177.5	177.2	-173.6	0	111.7	I260	I260-K262 PolarHBondContact O-N 2.95Å
263	E	95.1	Very high	94.9	Very high	123 Å²	123	61.8 Å²	61.8	58%	0.575	31%	0.309	S	S	*	.	S	Bend	trans	-81.1	130.9	175.7	-63.4	-57.5	143.1	0	0	109.6
264	P	97.2	Very high	94.4	Very high	23 Å²	23	63.1 Å²	63.1	15%	0.149	32%	0.318	C	S	.	.			trans	-69	147.1	178	29.5	-34.4	0	0	0	110.7	Y250 V251 L266 D267	Y250-P264 HydrophobicContact CD1-CB 4.44Å; Y250-P264 HydrophobicContact CD1-CG 4.44Å; V251-P264 CarbonylContact O-C 3.55Å; V251-P264 WeakPolarHBondContact O-CA 3.07Å; P264-L266 VanDerWaalsContact C-N 3.32Å; P264-D267 HydrophobicContact CG-CB 3.8Å
265	Y	98.4	Very high	93.6	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.318	C	S	.	.	S	Bend	trans	-62.8	-42.2	170.5	176.3	-113.2	0	0	0	111.4	F243 V251 I253 F289 Y293 L299 V326 Q333 V334	F243-Y265 AromaticContact CD1-CD1 3.65Å; F243-Y265 HydrophobicContact CD1-CD1 3.65Å; F243-Y265 HydrophobicContact CD1-CD2 4.4Å; F243-Y265 HydrophobicContact CD1-CE1 4.03Å; F243-Y265 AromaticContact CD1-CG 3.86Å; F243-Y265 HydrophobicContact CD1-CG 3.86Å; F243-Y265 AromaticContact CE1-CD1 3.72Å; F243-Y265 HydrophobicContact CE1-CD1 3.72Å; F243-Y265 AromaticContact CE1-CD2 3.75Å; F243-Y265 HydrophobicContact CE1-CD2 3.75Å; F243-Y265 AromaticContact CE1-CE1 3.84Å; F243-Y265 HydrophobicContact CE1-CE1 3.84Å; F243-Y265 AromaticContact CE1-CE2 3.88Å; F243-Y265 HydrophobicContact CE1-CE2 3.88Å; F243-Y265 AromaticContact CE1-CG 3.67Å; F243-Y265 HydrophobicContact CE1-CG 3.67Å; F243-Y265 AromaticContact CE1-CZ 3.94Å; V251-Y265 HydrophobicContact CB-CD1 4.3Å; V251-Y265 HydrophobicContact CG1-CD1 3.96Å; V251-Y265 WeakPolarHBondContact O-CB 3.47Å; V251-Y265 PolarHBondContact O-N 3.46Å; I253-Y265 HydrophobicContact CD1-CD2 3.92Å; I253-Y265 HydrophobicContact CD1-CG 4.25Å; I253-Y265 HydrophobicContact CG1-CG 4.4Å; Y265-F289 HydrophobicContact CE1-CE1 4.04Å; Y265-F289 HydrophobicContact CE1-CZ 4.07Å; Y265-Y293 PolarHBondContact OH-OH 2.76Å; Y265-L299 HydrophobicContact CE1-CD1 3.98Å; Y265-V326 HydrophobicContact CE2-CG2 3.98Å; Y265-Q333 CarbonylContact O-C 3.57Å; Y265-V334 HydrophobicContact CD1-CG2 3.75Å; Y265-V334 HydrophobicContact CD2-CG2 4.11Å; Y265-V334 HydrophobicContact CE1-CG2 3.28Å; Y265-V334 HydrophobicContact CE2-CG2 3.68Å; Y265-V334 HydrophobicContact CG-CG2 4.14Å; Y265-V334 WeakPolarHBondContact O-CB 3.19Å; Y265-V334 WeakPolarHBondContact O-CG2 3.25Å; Y265-V334 PolarHBondContact O-N 3.03Å; Y265-V334 WeakPolarHBondContact OH-CG2 3.49Å
266	L	98.4	Very high	92.7	Very high	2 Å²	2	68.6 Å²	68.6	1%	0.01	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	130.2	174.6	179.5	65.3	0	0	0	108.7	Y250 V251 P264 I268 V301 Y324 V334 V336	Y250-L266 WeakPolarHBondContact CA-O 3.37Å; V251-L266 HydrophobicContact CB-CB 4Å; V251-L266 HydrophobicContact CG2-CB 3.97Å; V251-L266 HydrophobicContact CG2-CD2 4.29Å; V251-L266 PolarHBondContact N-O 2.74Å; V251-L266 PolarHBondContact O-N 3.4Å; P264-L266 VanDerWaalsContact C-N 3.32Å; L266-I268 HydrophobicContact CD1-CG2 3.76Å; L266-I268 HydrophobicContact CD2-CD1 4.1Å; L266-I268 HydrophobicContact CD2-CG1 4.3Å; L266-I268 HydrophobicContact CD2-CG2 4.49Å; L266-I268 HydrophobicContact CG-CG1 4.29Å; L266-I268 HydrophobicContact CG-CG2 4.07Å; L266-V301 HydrophobicContact CD2-CG1 3.87Å; L266-Y324 HydrophobicContact CD1-CD1 4.45Å; L266-V334 HydrophobicContact CB-CG2 4.37Å; L266-V334 HydrophobicContact CD1-CB 3.96Å; L266-V334 HydrophobicContact CD1-CG1 3.9Å; L266-V334 HydrophobicContact CD1-CG2 4.49Å; L266-V336 HydrophobicContact CD1-CG2 4.32Å
267	D	97.6	Very high	92.1	Very high	65 Å²	65	73.4 Å²	73.4	35%	0.348	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	109.1	170.8	-178.4	4.4	0	0	0	109.4	Y250 P264 H269	Y250-D267 HydrophobicContact CD1-CB 4.2Å; Y250-D267 HydrophobicContact CE1-CB 4.4Å; Y250-D267 WeakPolarHBondContact CE1-OD1 3.11Å; P264-D267 HydrophobicContact CG-CB 3.8Å; D267-H269 IonicContact OD1-CE1 3.23Å; D267-H269 IonicContact OD1-CG 3.7Å; D267-H269 PolarHBondContact OD1-N 3.4Å; D267-H269 IonicContact OD1-ND1 3.96Å; D267-H269 PolarHBondContact OD1-ND1 3.39Å; D267-H269 IonicContact OD2-CE1 3.48Å; D267-H269 IonicContact OD2-ND1 3.72Å; D267-H269 PolarHBondContact OD2-ND1 3.35Å
268	I	96.9	Very high	91.4	Very high	5 Å²	5	69.1 Å²	69.1	3%	0.026	35%	0.354	C	S	.	.			trans	-129.8	21	177	54.5	168.8	0	0	0	111.5	G249 L266 K270 L271 V272 V301 Y303 V336	G249-I268 WeakPolarHBondContact O-CG1 3.12Å; G249-I268 PolarHBondContact O-N 3.18Å; L266-I268 HydrophobicContact CD1-CG2 3.76Å; L266-I268 HydrophobicContact CD2-CD1 4.1Å; L266-I268 HydrophobicContact CD2-CG1 4.3Å; L266-I268 HydrophobicContact CD2-CG2 4.49Å; L266-I268 HydrophobicContact CG-CG1 4.29Å; L266-I268 HydrophobicContact CG-CG2 4.07Å; I268-K270 PolarHBondContact O-N 2.81Å; I268-L271 HydrophobicContact CB-CD1 4.34Å; I268-L271 HydrophobicContact CG2-CD1 4.24Å; I268-L271 WeakPolarHBondContact O-CB 3.48Å; I268-L271 PolarHBondContact O-N 2.86Å; I268-V272 HydrophobicContact CB-CG2 4.47Å; I268-V272 HydrophobicContact CD1-CG2 3.85Å; I268-V272 HydrophobicContact CG1-CG2 3.85Å; I268-V272 WeakPolarHBondContact O-CG2 3.32Å; I268-V272 PolarHBondContact O-N 2.84Å; I268-V301 HydrophobicContact CD1-CG2 4.44Å; I268-Y303 HydrophobicContact CD1-CD1 3.88Å; I268-Y303 HydrophobicContact CD1-CE1 4.03Å; I268-Y303 HydrophobicContact CD1-CG 4.3Å; I268-V336 HydrophobicContact CG2-CG1 4.38Å
269	H	95.4	Very high	90.8	Very high	64 Å²	64	69.6 Å²	69.6	30%	0.296	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-25	-174.9	77.1	-86.5	0	0	0	114.2	E248 G249 Y250 D267 L271	E248-H269 VanDerWaalsContact O-CA 3.23Å; E248-H269 WeakPolarHBondContact O-CA 3.37Å; E248-H269 WeakPolarHBondContact O-CB 3.39Å; G249-H269 PolarHBondContact O-N 2.62Å; Y250-H269 HydrophobicContact CE1-CB 4.08Å; Y250-H269 AromaticContact CE1-ND1 3.72Å; Y250-H269 HydrophobicContact CE2-CB 3.85Å; Y250-H269 AromaticContact CZ-CG 3.67Å; Y250-H269 AromaticContact CZ-ND1 3.71Å; Y250-H269 PolarHBondContact OH-ND1 2.85Å; D267-H269 IonicContact OD1-CE1 3.23Å; D267-H269 IonicContact OD1-CG 3.7Å; D267-H269 PolarHBondContact OD1-N 3.4Å; D267-H269 IonicContact OD1-ND1 3.96Å; D267-H269 PolarHBondContact OD1-ND1 3.39Å; D267-H269 IonicContact OD2-CE1 3.48Å; D267-H269 IonicContact OD2-ND1 3.72Å; D267-H269 PolarHBondContact OD2-ND1 3.35Å; H269-L271 VanDerWaalsContact C-N 3.34Å
270	K	94.3	Very high	90.6	Very high	182 Å²	182	65.1 Å²	65.1	79%	0.791	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-24.6	176.3	-61.4	-173.8	-179.5	178.9	0	113.4	I268	I268-K270 PolarHBondContact O-N 2.81Å
271	L	93.5	Very high	90.4	Very high	75 Å²	75	64.8 Å²	64.8	39%	0.393	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-29.4	176.9	-56.4	178.2	0	0	0	110.8	I268 H269 Y303 T305	I268-L271 HydrophobicContact CB-CD1 4.34Å; I268-L271 HydrophobicContact CG2-CD1 4.24Å; I268-L271 WeakPolarHBondContact O-CB 3.48Å; I268-L271 PolarHBondContact O-N 2.86Å; H269-L271 VanDerWaalsContact C-N 3.34Å; L271-Y303 HydrophobicContact CB-CE2 4.2Å; L271-T305 WeakPolarHBondContact O-CB 3.42Å; L271-T305 PolarHBondContact O-OG1 2.93Å
272	V	94.4	Very high	90.3	Very high	10 Å²	10	62.3 Å²	62.3	6%	0.061	32%	0.321	C	S	.	.			trans	-83.4	125.2	-176.3	178	0	0	0	0	110.4	I268 Y303 T304	I268-V272 HydrophobicContact CB-CG2 4.47Å; I268-V272 HydrophobicContact CD1-CG2 3.85Å; I268-V272 HydrophobicContact CG1-CG2 3.85Å; I268-V272 WeakPolarHBondContact O-CG2 3.32Å; I268-V272 PolarHBondContact O-N 2.84Å; V272-Y303 HydrophobicContact CB-CD2 4.48Å; V272-Y303 HydrophobicContact CG2-CD2 3.67Å; V272-Y303 HydrophobicContact CG2-CE2 4.36Å; V272-Y303 HydrophobicContact CG2-CG 3.87Å; V272-T304 WeakPolarHBondContact CA-O 3.29Å
273	Q	91.4	Very high	90.3	Very high	55 Å²	55	53 Å²	53	26%	0.257	28%	0.281	S	S	.	.			trans	-89.7	105.2	166.9	-175.9	61	51.4	0	0	108.7	R282 G283 T304 N306	Q273-R282 WeakPolarHBondContact O-CB 3.41Å; Q273-G283 PolarHBondContact O-N 2.93Å; Q273-T304 PolarHBondContact N-O 2.94Å; Q273-T304 PolarHBondContact O-OG1 3.3Å; Q273-N306 WeakPolarHBondContact CG-OD1 3.46Å; Q273-N306 PolarHBondContact OE1-ND2 2.78Å; Q273-N306 PolarHBondContact OE1-OD1 3.03Å
274	S	87.4	Confident	90.4	Very high	29 Å²	29	47.2 Å²	47.2	20%	0.203	25%	0.254	C	S	.	.			trans	-92.7	149.3	179.2	59.9	0	0	0	0	113.3	R282	S274-R282 WeakPolarHBondContact CA-O 3.12Å
275	G	81.3	Confident	90.4	Very high	2 Å²	2	47.7 Å²	47.7	2%	0.021	26%	0.255	C	S	.	.			trans	-73.7	139.8	175.1	0	0	0	0	0	113.9	D280 R282	G275-D280 WeakPolarHBondContact CA-OD2 3.29Å; G275-R282 PolarHBondContact N-O 2.95Å
276	I	76.9	Confident	90.4	Very high	133 Å²	133	48.5 Å²	48.5	68%	0.682	26%	0.261	S	S	*	.			trans	-105.6	-18.5	-176.9	-49.9	170.6	0	0	0	111.8	T572	I276-T572 VanDerWaalsContact O-CB 3.26Å; I276-T572 WeakPolarHBondContact O-CB 3.15Å; I276-T572 WeakPolarHBondContact O-CG2 3.45Å
277	K	78.9	Confident	90.4	Very high	164 Å²	164	48.7 Å²	48.7	71%	0.713	26%	0.261	S	S	*	.	S	Bend	trans	-109.2	153	-177.9	-65.6	-177.4	-178.9	179.2	0	110.9	G279 D280	K277-G279 PolarHBondContact O-N 3.22Å; K277-D280 WeakPolarHBondContact O-CB 3.43Å; K277-D280 PolarHBondContact O-N 3.25Å
278	G	74.6	Confident	90.5	Very high	50 Å²	50	46 Å²	46	52%	0.515	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	130.6	173.1	0	0	0	0	0	110.8
279	G	78.7	Confident	90.5	Very high	44 Å²	44	46.7 Å²	46.7	45%	0.454	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.5	5.7	-175.9	0	0	0	0	0	115.2	K277 K351	K277-G279 PolarHBondContact O-N 3.22Å; G279-K351 WeakPolarHBondContact O-CE 3.41Å; G279-K351 VanDerWaalsContact O-CG 3.24Å; G279-K351 WeakPolarHBondContact O-CG 3.44Å
280	D	88	Confident	90.7	Very high	14 Å²	14	43.9 Å²	43.9	8%	0.075	24%	0.238	C	C	.	.			trans	-89.3	112.6	165.7	-171	-24.5	0	0	0	107.6	K247 G275 K277 R282 R350	K247-D280 PolarHBondContact NZ-O 2.57Å; G275-D280 WeakPolarHBondContact CA-OD2 3.29Å; K277-D280 WeakPolarHBondContact O-CB 3.43Å; K277-D280 PolarHBondContact O-N 3.25Å; D280-R282 WeakPolarHBondContact OD1-CB 3.18Å; D280-R282 WeakPolarHBondContact OD1-CG 3.37Å; D280-R282 IonicContact OD1-CZ 3.9Å; D280-R282 PolarHBondContact OD1-N 3.01Å; D280-R282 IonicContact OD1-NE 3.52Å; D280-R282 PolarHBondContact OD1-NE 2.77Å; D280-R282 IonicContact OD1-NH2 2.85Å; D280-R282 IonicContact OD2-CZ 2.79Å; D280-R282 IonicContact OD2-NE 3.62Å; D280-R282 PolarHBondContact OD2-NE 3.43Å; D280-R282 IonicContact OD2-NH2 3.44Å; D280-R282 PolarHBondContact OD2-NH2 3.21Å; D280-R350 IonicContact OD2-NH1 3.95Å
281	E	90.9	Very high	90.8	Very high	56 Å²	56	39.2 Å²	39.2	26%	0.262	23%	0.226	S	C	.	.			trans	-83.8	-12.9	-173.2	-76.8	160.6	-149.4	0	0	113.5	L285 R350 K351 H352 L353	E281-L285 WeakPolarHBondContact O-CD2 3.5Å; E281-R350 PolarHBondContact N-O 2.97Å; E281-K351 WeakPolarHBondContact OE2-CA 3.3Å; E281-H352 PolarHBondContact OE2-N 3.27Å; E281-L353 HydrophobicContact CB-CD1 3.74Å; E281-L353 HydrophobicContact CB-CG 4.16Å; E281-L353 PolarHBondContact OE2-N 3.21Å
282	R	93	Very high	90.9	Very high	17 Å²	17	38.8 Å²	38.8	6%	0.064	23%	0.225	C	C	.	.			trans	-55	140.1	-177.5	-65	-176.7	-63.1	157.7	8.1	113.2	K247 Q273 S274 G275 D280 T304 R350 L353	K247-R282 WeakPolarHBondContact CE-O 3.31Å; Q273-R282 WeakPolarHBondContact O-CB 3.41Å; S274-R282 WeakPolarHBondContact CA-O 3.12Å; G275-R282 PolarHBondContact N-O 2.95Å; D280-R282 WeakPolarHBondContact OD1-CB 3.18Å; D280-R282 WeakPolarHBondContact OD1-CG 3.37Å; D280-R282 IonicContact OD1-CZ 3.9Å; D280-R282 PolarHBondContact OD1-N 3.01Å; D280-R282 IonicContact OD1-NE 3.52Å; D280-R282 PolarHBondContact OD1-NE 2.77Å; D280-R282 IonicContact OD1-NH2 2.85Å; D280-R282 IonicContact OD2-CZ 2.79Å; D280-R282 IonicContact OD2-NE 3.62Å; D280-R282 PolarHBondContact OD2-NE 3.43Å; D280-R282 IonicContact OD2-NH2 3.44Å; D280-R282 PolarHBondContact OD2-NH2 3.21Å; R282-T304 WeakPolarHBondContact CA-OG1 3.29Å; R282-T304 HydrophobicContact CB-CG2 4.37Å; R282-T304 WeakPolarHBondContact CB-OG1 3.23Å; R282-T304 HydrophobicContact CG-CG2 4.23Å; R282-R350 HydrophobicContact CG-CB 4.18Å; R282-R350 HydrophobicContact CG-CG 4.32Å; R282-R350 VanDerWaalsContact CZ-NE 3.29Å; R282-R350 VanDerWaalsContact NE-CD 3.34Å; R282-L353 HydrophobicContact CG-CD1 4.21Å
283	G	94.8	Very high	91	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	152.3	-156.6	178	0	0	0	0	0	111.5	K247 Q273 Y303 T304	K247-G283 CarbonylContact O-C 3.6Å; K247-G283 VanDerWaalsContact O-CA 3.25Å; K247-G283 WeakPolarHBondContact O-CA 3.35Å; Q273-G283 PolarHBondContact O-N 2.93Å; G283-Y303 VanDerWaalsContact O-CA 3.25Å; G283-Y303 WeakPolarHBondContact O-CA 3.48Å; G283-Y303 WeakPolarHBondContact O-CB 3.11Å; G283-T304 PolarHBondContact N-OG1 2.88Å; G283-T304 PolarHBondContact O-N 2.89Å; G283-T304 PolarHBondContact O-OG1 3.41Å
284	L	97.3	Very high	91.2	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	121.3	162	178.1	64.1	0	0	0	108.7	L245 K247 V251 V301	L245-L284 HydrophobicContact CB-CD2 4.01Å; L245-L284 HydrophobicContact CD2-CD2 4.27Å; L245-L284 HydrophobicContact CD2-CG 4.28Å; L245-L284 HydrophobicContact CG-CD2 4.12Å; K247-L284 PolarHBondContact O-N 3.13Å; V251-L284 HydrophobicContact CG2-CD2 4.02Å; L284-V301 HydrophobicContact CD1-CB 4.32Å
285	L	96.9	Very high	91.4	Very high	34 Å²	34	46.9 Å²	46.9	18%	0.178	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-50	-172.5	-58.4	175.8	0	0	0	111.5	E281 S302 T304 L319 L353	E281-L285 WeakPolarHBondContact O-CD2 3.5Å; L285-S302 PolarHBondContact N-O 3.36Å; L285-T304 HydrophobicContact CD1-CG2 4.27Å; L285-L319 HydrophobicContact CD1-CD1 3.59Å; L285-L319 HydrophobicContact CD1-CG 4.1Å; L285-L353 HydrophobicContact CD1-CB 4.37Å
286	S	98.3	Very high	92.1	Very high	17 Å²	17	47.2 Å²	47.2	12%	0.119	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	164	-175.3	-153.9	0	0	0	0	113.8	V301 S302 G355 L357	S286-V301 WeakPolarHBondContact O-CA 3.28Å; S286-S302 WeakPolarHBondContact CA-OG 3.35Å; S286-S302 WeakPolarHBondContact CB-OG 3.44Å; S286-S302 PolarHBondContact N-O 3.04Å; S286-S302 PolarHBondContact N-OG 3Å; S286-S302 PolarHBondContact O-N 3.32Å; S286-G355 WeakPolarHBondContact CB-O 3.3Å; S286-L357 PolarHBondContact OG-N 3.17Å; S286-L357 VanDerWaalsContact OG-N 3.09Å
287	L	98.4	Very high	93	Very high	5 Å²	5	40.9 Å²	40.9	3%	0.026	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	131.2	178.7	172.6	70.6	0	0	0	108.3	V233 F243 L245 V251 F289 L299 Y300 V301	V233-L287 HydrophobicContact CG2-CB 4.42Å; V233-L287 HydrophobicContact CG2-CD2 3.88Å; V233-L287 HydrophobicContact CG2-CG 4.21Å; F243-L287 HydrophobicContact CB-CD2 4.22Å; L245-L287 HydrophobicContact CD1-CB 4.03Å; L245-L287 HydrophobicContact CD1-CD2 4.06Å; L245-L287 HydrophobicContact CD2-CB 3.68Å; L245-L287 HydrophobicContact CG-CB 4.09Å; V251-L287 HydrophobicContact CG1-CD2 4.14Å; V251-L287 HydrophobicContact CG2-CD2 4.44Å; L287-F289 HydrophobicContact CD2-CE2 3.8Å; L287-F289 HydrophobicContact CD2-CZ 4.01Å; L287-F289 HydrophobicContact CG-CE2 4.29Å; L287-L299 HydrophobicContact CD1-CB 4.13Å; L287-L299 HydrophobicContact CD1-CD1 3.54Å; L287-L299 HydrophobicContact CD1-CG 4.44Å; L287-Y300 CarbonylContact C-O 3.5Å; L287-Y300 WeakPolarHBondContact CA-O 3.37Å; L287-V301 HydrophobicContact CB-CG1 4.5Å; L287-V301 HydrophobicContact CD1-CG1 3.44Å; L287-V301 VanDerWaalsContact CD1-CG1 3.44Å
288	A	98.4	Very high	93.9	Very high	9 Å²	9	33.1 Å²	33.1	7%	0.074	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	132.6	170.4	0	0	0	0	0	110.2	L299 Y300 L357 F359 L365	A288-L299 CarbonylContact O-C 3.45Å; A288-L299 WeakPolarHBondContact O-CA 3.48Å; A288-Y300 PolarHBondContact N-O 2.88Å; A288-Y300 PolarHBondContact O-N 3.45Å; A288-L357 HydrophobicContact CB-CB 3.71Å; A288-F359 HydrophobicContact CB-CD2 4.08Å; A288-F359 HydrophobicContact CB-CE2 4.11Å; A288-L365 HydrophobicContact CB-CD1 4.49Å
289	F	98.5	Very high	95	Very high	19 Å²	19	30.8 Å²	30.8	8%	0.083	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	142	169.7	-71.2	-81.1	0	0	0	110	V233 H234 F243 Y265 L287 Y293 L299 F359	V233-F289 HydrophobicContact CG2-CD2 4.32Å; V233-F289 HydrophobicContact CG2-CE2 4.07Å; H234-F289 VanDerWaalsContact O-CD2 3.23Å; H234-F289 WeakPolarHBondContact O-CD2 3.49Å; F243-F289 HydrophobicContact CB-CE2 4.16Å; F243-F289 HydrophobicContact CB-CZ 4.31Å; F243-F289 HydrophobicContact CD1-CE2 4.38Å; F243-F289 AromaticContact CD1-CZ 3.74Å; F243-F289 HydrophobicContact CD1-CZ 3.74Å; F243-F289 AromaticContact CD2-CE2 3.58Å; F243-F289 HydrophobicContact CD2-CE2 3.58Å; F243-F289 AromaticContact CD2-CZ 3.61Å; F243-F289 HydrophobicContact CD2-CZ 3.61Å; F243-F289 AromaticContact CE1-CZ 3.84Å; F243-F289 HydrophobicContact CE1-CZ 3.84Å; F243-F289 HydrophobicContact CE2-CE2 4.03Å; F243-F289 AromaticContact CE2-CZ 3.75Å; F243-F289 HydrophobicContact CE2-CZ 3.75Å; F243-F289 AromaticContact CG-CE2 3.78Å; F243-F289 HydrophobicContact CG-CE2 3.78Å; F243-F289 AromaticContact CG-CZ 3.6Å; F243-F289 HydrophobicContact CG-CZ 3.6Å; F243-F289 HydrophobicContact CZ-CE1 4.41Å; F243-F289 AromaticContact CZ-CZ 3.83Å; F243-F289 HydrophobicContact CZ-CZ 3.83Å; Y265-F289 HydrophobicContact CE1-CE1 4.04Å; Y265-F289 HydrophobicContact CE1-CZ 4.07Å; L287-F289 HydrophobicContact CD2-CE2 3.8Å; L287-F289 HydrophobicContact CD2-CZ 4.01Å; L287-F289 HydrophobicContact CG-CE2 4.29Å; F289-Y293 HydrophobicContact CB-CG 4.46Å; F289-Y293 HydrophobicContact CD1-CD1 4.17Å; F289-Y293 AromaticContact CD1-CD2 3.55Å; F289-Y293 HydrophobicContact CD1-CD2 3.55Å; F289-Y293 HydrophobicContact CD1-CE1 4.28Å; F289-Y293 AromaticContact CD1-CE2 3.66Å; F289-Y293 HydrophobicContact CD1-CE2 3.66Å; F289-Y293 AromaticContact CD1-CG 3.81Å; F289-Y293 HydrophobicContact CD1-CG 3.81Å; F289-Y293 HydrophobicContact CE1-CD2 4.17Å; F289-Y293 HydrophobicContact CE1-CE1 4.3Å; F289-Y293 AromaticContact CE1-CE2 3.78Å; F289-Y293 HydrophobicContact CE1-CE2 3.78Å; F289-Y293 AromaticContact CE1-CZ 3.86Å; F289-L299 HydrophobicContact CD1-CB 3.94Å; F289-L299 HydrophobicContact CE1-CB 4.13Å; F289-F359 WeakPolarHBondContact O-CD2 3.21Å; F289-F359 WeakPolarHBondContact O-CE2 2.95Å
290	H	98	Very high	96	Very high	6 Å²	6	28.7 Å²	28.7	3%	0.028	14%	0.143	C	C	.	.			trans	-59.1	142.4	172.7	-165.3	-90.7	0	0	0	110.2	N292 Y293 N296 K298 Y300 D398	H290-N292 PolarHBondContact ND1-N 3.31Å; H290-N292 VanDerWaalsContact ND1-N 3.12Å; H290-N292 PolarHBondContact O-N 2.83Å; H290-Y293 VanDerWaalsContact O-CB 3.23Å; H290-Y293 WeakPolarHBondContact O-CB 3.15Å; H290-Y293 PolarHBondContact O-N 2.95Å; H290-N296 PolarHBondContact CE1-ND2 3.3Å; H290-N296 PolarHBondContact ND1-ND2 2.83Å; H290-K298 HydrophobicContact CB-CB 3.84Å; H290-K298 VanDerWaalsContact CB-O 3.27Å; H290-K298 WeakPolarHBondContact CB-O 3.34Å; H290-K298 PolarHBondContact N-O 3.02Å; H290-Y300 HydrophobicContact CB-CE2 4.24Å; H290-D398 IonicContact CE1-OD1 3.58Å; H290-D398 PolarHBondContact CE1-OD1 2.92Å; H290-D398 IonicContact CE1-OD2 2.74Å; H290-D398 IonicContact NE2-OD1 3.88Å; H290-D398 PolarHBondContact NE2-OD1 3.24Å; H290-D398 IonicContact NE2-OD2 2.81Å
291	P	96.6	Very high	96.5	Very high	83 Å²	83	28 Å²	28	54%	0.539	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-22.9	177.5	-27.9	36	0	0	0	114.1	F359	P291-F359 HydrophobicContact CG-CB 3.85Å; P291-F359 HydrophobicContact CG-CD1 3.82Å; P291-F359 HydrophobicContact CG-CD2 4.48Å; P291-F359 HydrophobicContact CG-CG 3.8Å
292	N	95.6	Very high	96.8	Very high	67 Å²	67	25.3 Å²	25.3	36%	0.358	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	27.3	177.6	-161.1	20.1	0	0	0	113.4	H290 K294 K295 N296	H290-N292 PolarHBondContact ND1-N 3.31Å; H290-N292 VanDerWaalsContact ND1-N 3.12Å; H290-N292 PolarHBondContact O-N 2.83Å; N292-K294 PolarHBondContact O-N 2.98Å; N292-K294 VanDerWaalsContact O-N 3.15Å; N292-K295 PolarHBondContact O-N 3.23Å; N292-K295 WeakPolarHBondContact OD1-CD 3.42Å; N292-K295 WeakPolarHBondContact OD1-CG 3.49Å; N292-N296 PolarHBondContact O-N 3.32Å; N292-N296 PolarHBondContact O-OD1 3.24Å
293	Y	96.8	Very high	97	Very high	10 Å²	10	24.8 Å²	24.8	4%	0.039	13%	0.125	C	C	.	.	H	α-helix	trans	-52.3	-36.8	-177.4	172.2	-98.7	0	0	0	112.9	D237 Y265 F289 H290 K295 N296 G297 K298 L299 V326	D237-Y293 HydrophobicContact CB-CD1 4.31Å; Y265-Y293 PolarHBondContact OH-OH 2.76Å; F289-Y293 HydrophobicContact CB-CG 4.46Å; F289-Y293 HydrophobicContact CD1-CD1 4.17Å; F289-Y293 AromaticContact CD1-CD2 3.55Å; F289-Y293 HydrophobicContact CD1-CD2 3.55Å; F289-Y293 HydrophobicContact CD1-CE1 4.28Å; F289-Y293 AromaticContact CD1-CE2 3.66Å; F289-Y293 HydrophobicContact CD1-CE2 3.66Å; F289-Y293 AromaticContact CD1-CG 3.81Å; F289-Y293 HydrophobicContact CD1-CG 3.81Å; F289-Y293 HydrophobicContact CE1-CD2 4.17Å; F289-Y293 HydrophobicContact CE1-CE1 4.3Å; F289-Y293 AromaticContact CE1-CE2 3.78Å; F289-Y293 HydrophobicContact CE1-CE2 3.78Å; F289-Y293 AromaticContact CE1-CZ 3.86Å; H290-Y293 VanDerWaalsContact O-CB 3.23Å; H290-Y293 WeakPolarHBondContact O-CB 3.15Å; H290-Y293 PolarHBondContact O-N 2.95Å; Y293-K295 PolarHBondContact O-N 2.99Å; Y293-K295 VanDerWaalsContact O-N 3.07Å; Y293-N296 WeakPolarHBondContact CA-OD1 3.15Å; Y293-G297 VanDerWaalsContact CD2-C 3.41Å; Y293-G297 VanDerWaalsContact O-CA 3.27Å; Y293-G297 WeakPolarHBondContact O-CA 3.33Å; Y293-G297 PolarHBondContact O-N 2.91Å; Y293-K298 WeakPolarHBondContact CD2-O 3.33Å; Y293-L299 HydrophobicContact CE2-CD2 4.48Å; Y293-V326 HydrophobicContact CE2-CB 4.27Å; Y293-V326 HydrophobicContact CE2-CG1 4.39Å
294	K	95	Very high	97.1	Very high	114 Å²	114	24.8 Å²	24.8	50%	0.496	13%	0.125	S	C	.	.	H	α-helix	trans	-52.9	-31.4	175.7	-171.3	172.5	-172.1	149.4	0	113.5	D237 N292	D237-K294 HydrophobicContact CB-CB 3.99Å; D237-K294 HydrophobicContact CB-CG 4.2Å; D237-K294 WeakPolarHBondContact O-CD 3.33Å; D237-K294 WeakPolarHBondContact O-CE 3.42Å; D237-K294 PolarHBondContact O-NZ 2.74Å; N292-K294 PolarHBondContact O-N 2.98Å; N292-K294 VanDerWaalsContact O-N 3.15Å
295	K	93.1	Very high	96.9	Very high	140 Å²	140	25.2 Å²	25.2	61%	0.609	13%	0.128	S	C	*	.	H	α-helix	trans	-101	-44.3	-179.5	-62.9	-172.8	-175.1	174.7	0	113.1	N292 Y293	N292-K295 PolarHBondContact O-N 3.23Å; N292-K295 WeakPolarHBondContact OD1-CD 3.42Å; N292-K295 WeakPolarHBondContact OD1-CG 3.49Å; Y293-K295 PolarHBondContact O-N 2.99Å; Y293-K295 VanDerWaalsContact O-N 3.07Å
296	N	94.6	Very high	96.3	Very high	8 Å²	8	27.6 Å²	27.6	4%	0.043	14%	0.141	C	C	.	.	H	α-helix	trans	-97.5	-21	-172.2	69.8	11.7	0	0	0	113.9	H290 N292 Y293 K298 Y617 P619	H290-N296 PolarHBondContact CE1-ND2 3.3Å; H290-N296 PolarHBondContact ND1-ND2 2.83Å; N292-N296 PolarHBondContact O-N 3.32Å; N292-N296 PolarHBondContact O-OD1 3.24Å; Y293-N296 WeakPolarHBondContact CA-OD1 3.15Å; N296-K298 VanDerWaalsContact C-N 3.28Å; N296-K298 HydrophobicContact CB-CG 4.09Å; N296-K298 PolarHBondContact O-N 2.86Å; N296-K298 WeakPolarHBondContact OD1-CB 3.4Å; N296-K298 PolarHBondContact OD1-N 2.95Å; N296-Y617 VanDerWaalsContact O-CE2 3.28Å; N296-Y617 WeakPolarHBondContact O-CE2 3.49Å; N296-Y617 PolarHBondContact O-OH 2.81Å; N296-P619 PolarHBondContact ND2-O 3.21Å
297	G	96.3	Very high	95	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.147	C	C	.	.			trans	70.9	19.8	178.5	0	0	0	0	0	114.9	Y293 T325 V326	Y293-G297 VanDerWaalsContact CD2-C 3.41Å; Y293-G297 VanDerWaalsContact O-CA 3.27Å; Y293-G297 WeakPolarHBondContact O-CA 3.33Å; Y293-G297 PolarHBondContact O-N 2.91Å; G297-T325 WeakPolarHBondContact O-CA 3.4Å; G297-V326 PolarHBondContact O-N 2.91Å
298	K	97.7	Very high	93.4	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.009	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	132.9	-173.7	-64.9	-63.2	-168.4	170.6	0	112.9	H290 Y293 N296 Y300 E323 T325 Y617 P619	H290-K298 HydrophobicContact CB-CB 3.84Å; H290-K298 VanDerWaalsContact CB-O 3.27Å; H290-K298 WeakPolarHBondContact CB-O 3.34Å; H290-K298 PolarHBondContact N-O 3.02Å; Y293-K298 WeakPolarHBondContact CD2-O 3.33Å; N296-K298 VanDerWaalsContact C-N 3.28Å; N296-K298 HydrophobicContact CB-CG 4.09Å; N296-K298 PolarHBondContact O-N 2.86Å; N296-K298 WeakPolarHBondContact OD1-CB 3.4Å; N296-K298 PolarHBondContact OD1-N 2.95Å; K298-Y300 HydrophobicContact CB-CE2 4.38Å; K298-E323 HydrophobicContact CD-CG 4.06Å; K298-E323 IonicContact NZ-OE1 3.86Å; K298-E323 PolarHBondContact NZ-OE1 3.23Å; K298-T325 PolarHBondContact NZ-OG1 2.9Å; K298-Y617 WeakPolarHBondContact CE-O 3.34Å; K298-Y617 PolarHBondContact NZ-O 3.49Å; K298-P619 HydrophobicContact CG-CB 4.39Å; K298-P619 HydrophobicContact CG-CG 4.29Å
299	L	98.4	Very high	91.6	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	157	172.9	64.9	144	0	0	0	110.2	Y265 L287 A288 F289 Y293 V301 E323 Y324 V334	Y265-L299 HydrophobicContact CE1-CD1 3.98Å; L287-L299 HydrophobicContact CD1-CB 4.13Å; L287-L299 HydrophobicContact CD1-CD1 3.54Å; L287-L299 HydrophobicContact CD1-CG 4.44Å; A288-L299 CarbonylContact O-C 3.45Å; A288-L299 WeakPolarHBondContact O-CA 3.48Å; F289-L299 HydrophobicContact CD1-CB 3.94Å; F289-L299 HydrophobicContact CE1-CB 4.13Å; Y293-L299 HydrophobicContact CE2-CD2 4.48Å; L299-V301 HydrophobicContact CD1-CG1 4.31Å; L299-E323 CarbonylContact O-C 3.55Å; L299-E323 WeakPolarHBondContact O-CA 3.34Å; L299-Y324 WeakPolarHBondContact CD2-O 3.33Å; L299-Y324 PolarHBondContact N-O 2.82Å; L299-Y324 PolarHBondContact O-N 2.87Å; L299-V334 HydrophobicContact CD1-CG2 4.14Å; L299-V334 HydrophobicContact CD2-CG1 4.31Å; L299-V334 HydrophobicContact CD2-CG2 3.87Å
300	Y	98.7	Very high	89.5	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	131	-177.5	-56.3	-93	0	0	0	108.7	L287 A288 H290 K298 V322 E323 F342 L357 F359 L365 V397 P619	L287-Y300 CarbonylContact C-O 3.5Å; L287-Y300 WeakPolarHBondContact CA-O 3.37Å; A288-Y300 PolarHBondContact N-O 2.88Å; A288-Y300 PolarHBondContact O-N 3.45Å; H290-Y300 HydrophobicContact CB-CE2 4.24Å; K298-Y300 HydrophobicContact CB-CE2 4.38Å; Y300-V322 CarbonylContact C-O 3.12Å; Y300-V322 WeakPolarHBondContact CA-O 3.39Å; Y300-E323 HydrophobicContact CD1-CB 3.85Å; Y300-E323 HydrophobicContact CD1-CG 4.22Å; Y300-E323 HydrophobicContact CE1-CB 3.67Å; Y300-E323 HydrophobicContact CE1-CG 3.69Å; Y300-E323 PolarHBondContact OH-OE2 2.8Å; Y300-E323 VanDerWaalsContact OH-OE2 3.13Å; Y300-F342 HydrophobicContact CD1-CZ 4.41Å; Y300-F342 HydrophobicContact CE1-CE1 4.05Å; Y300-F342 HydrophobicContact CE1-CE2 4.05Å; Y300-F342 AromaticContact CE1-CZ 3.64Å; Y300-F342 HydrophobicContact CE1-CZ 3.64Å; Y300-L357 WeakPolarHBondContact O-CD1 3.48Å; Y300-F359 AromaticContact CD2-CE2 3.68Å; Y300-F359 HydrophobicContact CD2-CE2 3.68Å; Y300-F359 AromaticContact CD2-CZ 3.73Å; Y300-F359 HydrophobicContact CD2-CZ 3.73Å; Y300-F359 AromaticContact CE2-CE2 3.88Å; Y300-F359 HydrophobicContact CE2-CE2 3.88Å; Y300-F359 AromaticContact CE2-CZ 3.53Å; Y300-F359 HydrophobicContact CE2-CZ 3.53Å; Y300-L365 HydrophobicContact CD1-CD2 4.19Å; Y300-L365 HydrophobicContact CG-CD2 4.3Å; Y300-V397 HydrophobicContact CE1-CB 4.41Å; Y300-V397 HydrophobicContact CE1-CG1 4.13Å; Y300-P619 VanDerWaalsContact OH-CG 3.27Å; Y300-P619 WeakPolarHBondContact OH-CG 3.48Å
301	V	98.5	Very high	87.7	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	144.9	179.1	-65.2	0	0	0	0	110.5	L266 I268 L284 S286 L287 L299 Y303 V321 V322 Y324	L266-V301 HydrophobicContact CD2-CG1 3.87Å; I268-V301 HydrophobicContact CD1-CG2 4.44Å; L284-V301 HydrophobicContact CD1-CB 4.32Å; S286-V301 WeakPolarHBondContact O-CA 3.28Å; L287-V301 HydrophobicContact CB-CG1 4.5Å; L287-V301 HydrophobicContact CD1-CG1 3.44Å; L287-V301 VanDerWaalsContact CD1-CG1 3.44Å; L299-V301 HydrophobicContact CD1-CG1 4.31Å; V301-Y303 HydrophobicContact CG2-CD1 3.97Å; V301-Y303 HydrophobicContact CG2-CE1 4.05Å; V301-V321 WeakPolarHBondContact O-CA 3.11Å; V301-V322 HydrophobicContact CG2-CB 4.18Å; V301-V322 PolarHBondContact N-O 3.05Å; V301-V322 PolarHBondContact O-N 3.37Å; V301-Y324 HydrophobicContact CG2-CD2 3.68Å; V301-Y324 HydrophobicContact CG2-CE2 3.5Å
302	S	98.4	Very high	86.2	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	129.4	170.1	56.9	0	0	0	0	109.9	L285 S286 R320 G355	L285-S302 PolarHBondContact N-O 3.36Å; S286-S302 WeakPolarHBondContact CA-OG 3.35Å; S286-S302 WeakPolarHBondContact CB-OG 3.44Å; S286-S302 PolarHBondContact N-O 3.04Å; S286-S302 PolarHBondContact N-OG 3Å; S286-S302 PolarHBondContact O-N 3.32Å; S302-R320 VanDerWaalsContact CA-O 3.25Å; S302-R320 WeakPolarHBondContact CA-O 2.95Å; S302-G355 WeakPolarHBondContact CB-O 3.4Å; S302-G355 PolarHBondContact OG-O 2.88Å
303	Y	97.4	Very high	84.6	Confident	6 Å²	6	52.7 Å²	52.7	2%	0.024	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	157.2	179.3	65.1	-88.3	0	0	0	112	I268 L271 V272 G283 V301 T305 R320 V322	I268-Y303 HydrophobicContact CD1-CD1 3.88Å; I268-Y303 HydrophobicContact CD1-CE1 4.03Å; I268-Y303 HydrophobicContact CD1-CG 4.3Å; L271-Y303 HydrophobicContact CB-CE2 4.2Å; V272-Y303 HydrophobicContact CB-CD2 4.48Å; V272-Y303 HydrophobicContact CG2-CD2 3.67Å; V272-Y303 HydrophobicContact CG2-CE2 4.36Å; V272-Y303 HydrophobicContact CG2-CG 3.87Å; G283-Y303 VanDerWaalsContact O-CA 3.25Å; G283-Y303 WeakPolarHBondContact O-CA 3.48Å; G283-Y303 WeakPolarHBondContact O-CB 3.11Å; V301-Y303 HydrophobicContact CG2-CD1 3.97Å; V301-Y303 HydrophobicContact CG2-CE1 4.05Å; Y303-T305 HydrophobicContact CE2-CG2 4.24Å; Y303-R320 HydrophobicContact CE1-CB 4.37Å; Y303-R320 HydrophobicContact CE2-CB 4.46Å; Y303-R320 PolarHBondContact N-O 2.89Å; Y303-R320 PolarHBondContact O-N 2.92Å; Y303-V322 HydrophobicContact CE1-CB 4.21Å; Y303-V322 HydrophobicContact CE1-CG2 3.62Å
304	T	95.6	Very high	82.6	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	136.3	174.2	55.4	0	0	0	0	111.5	V272 Q273 R282 G283 L285 I318 L353	V272-T304 WeakPolarHBondContact CA-O 3.29Å; Q273-T304 PolarHBondContact N-O 2.94Å; Q273-T304 PolarHBondContact O-OG1 3.3Å; R282-T304 WeakPolarHBondContact CA-OG1 3.29Å; R282-T304 HydrophobicContact CB-CG2 4.37Å; R282-T304 WeakPolarHBondContact CB-OG1 3.23Å; R282-T304 HydrophobicContact CG-CG2 4.23Å; G283-T304 PolarHBondContact N-OG1 2.88Å; G283-T304 PolarHBondContact O-N 2.89Å; G283-T304 PolarHBondContact O-OG1 3.41Å; L285-T304 HydrophobicContact CD1-CG2 4.27Å; T304-I318 CarbonylContact C-O 3.6Å; T304-I318 VanDerWaalsContact CA-O 3.29Å; T304-I318 WeakPolarHBondContact CA-O 3.45Å; T304-L353 HydrophobicContact CG2-CD1 3.83Å
305	T	92.9	Very high	81	Confident	10 Å²	10	56.7 Å²	56.7	6%	0.061	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	159.7	175.9	177.8	0	0	0	0	110.9	L271 Y303 H317 I318 R320	L271-T305 WeakPolarHBondContact O-CB 3.42Å; L271-T305 PolarHBondContact O-OG1 2.93Å; Y303-T305 HydrophobicContact CE2-CG2 4.24Å; T305-H317 WeakPolarHBondContact O-CB 3.44Å; T305-I318 HydrophobicContact CG2-CD1 3.65Å; T305-I318 HydrophobicContact CG2-CG1 3.32Å; T305-I318 PolarHBondContact N-O 3.15Å; T305-I318 PolarHBondContact O-N 2.91Å; T305-R320 HydrophobicContact CG2-CG 3.85Å
306	N	84	Confident	80	Confident	83 Å²	83	51 Å²	51	44%	0.444	26%	0.257	S	S	.	.			trans	-63.4	143.3	174.3	-65.3	-36.8	0	0	0	110.8	Q273 E308	Q273-N306 WeakPolarHBondContact CG-OD1 3.46Å; Q273-N306 PolarHBondContact OE1-ND2 2.78Å; Q273-N306 PolarHBondContact OE1-OD1 3.03Å; N306-E308 PolarHBondContact O-N 2.84Å
307	Q	71.8	Confident	79.6	Confident	53 Å²	53	50.6 Å²	50.6	25%	0.248	26%	0.255	C	S	.	.			trans	-73.5	120.7	173.6	-170.1	143.3	-37.3	0	0	109.6	R309 W310 D316 I318	Q307-R309 PolarHBondContact O-N 3.36Å; Q307-W310 WeakPolarHBondContact CG-O 3.44Å; Q307-W310 PolarHBondContact NE2-O 2.83Å; Q307-D316 PolarHBondContact NE2-OD2 2.88Å; Q307-D316 PolarHBondContact OE1-OD1 2.77Å; Q307-D316 PolarHBondContact OE1-OD2 2.95Å; Q307-I318 HydrophobicContact CB-CG2 4.47Å; Q307-I318 HydrophobicContact CG-CG2 4.38Å
308	E	65.9	Low	79.3	Confident	155 Å²	155	51.2 Å²	51.2	72%	0.724	26%	0.259	S	S	*	.	S	Bend	trans	-80.1	-15	-169.8	-70.4	172.8	-151.4	0	0	114.1	N306 R320	N306-E308 PolarHBondContact O-N 2.84Å; E308-R320 IonicContact OE1-CZ 3.83Å; E308-R320 IonicContact OE1-NH1 3.2Å; E308-R320 PolarHBondContact OE1-NH1 2.95Å; E308-R320 IonicContact OE1-NH2 3.5Å; E308-R320 PolarHBondContact OE1-NH2 2.96Å
309	R	59.4	Low	79.2	Confident	188 Å²	188	51.1 Å²	51.1	71%	0.709	26%	0.258	S	S	*	.	S	Bend	trans	-111.6	-60.1	-166.3	-135.6	172.8	-169.4	-142.5	2.9	114.4	Q307	Q307-R309 PolarHBondContact O-N 3.36Å
310	W	54.9	Low	79.1	Confident	176 Å²	176	52.7 Å²	52.7	67%	0.667	26%	0.264	S	S	*	.			trans	-153.4	135.7	178.2	-55.7	-70.5	0	0	0	109.9	Q307 I312	Q307-W310 WeakPolarHBondContact CG-O 3.44Å; Q307-W310 PolarHBondContact NE2-O 2.83Å; W310-I312 PolarHBondContact O-N 3.26Å
311	A	59.7	Low	79	Confident	83 Å²	83	52.7 Å²	52.7	69%	0.686	26%	0.264	S	S	*	.			trans	-78.9	116.2	174.1	0	0	0	0	0	109.2	G313 D316	A311-G313 VanDerWaalsContact C-N 3.31Å; A311-D316 WeakPolarHBondContact CA-OD2 3.38Å; A311-D316 HydrophobicContact CB-CB 4.34Å
312	I	65.6	Low	79	Confident	62 Å²	62	52.8 Å²	52.8	32%	0.318	26%	0.264	S	S	.	.	S	Bend	trans	-74.8	-28.9	176.2	-61.9	166.6	0	0	0	109.6	W310 D316 L348 M382	W310-I312 PolarHBondContact O-N 3.26Å; I312-D316 PolarHBondContact N-OD2 2.82Å; I312-L348 HydrophobicContact CG2-CD2 4.34Å; I312-M382 HydrophobicContact CG2-CE 3.34Å; I312-M382 HydrophobicContact CG2-SD 4.31Å; I312-M382 WeakPolarHBondContact O-CE 2.96Å
313	G	60.9	Low	79	Confident	16 Å²	16	52.8 Å²	52.8	17%	0.165	27%	0.265	C	S	.	.	S	Bend	trans	-147.6	175.6	178.7	0	0	0	0	0	115.1	A311 H315 D316	A311-G313 VanDerWaalsContact C-N 3.31Å; G313-H315 VanDerWaalsContact C-N 3.3Å; G313-H315 PolarHBondContact O-N 3.47Å; G313-D316 VanDerWaalsContact O-CB 3.3Å; G313-D316 WeakPolarHBondContact O-CB 3.36Å; G313-D316 PolarHBondContact O-N 2.62Å
314	P	55.3	Low	79.1	Confident	125 Å²	125	52.6 Å²	52.6	81%	0.812	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-17.6	-172.5	24.5	-32.3	0	0	0	115.2
315	H	61.2	Low	79.1	Confident	83 Å²	83	52.8 Å²	52.8	38%	0.384	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.9	21.3	179.2	-58.8	86.2	0	0	0	112.7	G313 H317 L348 R350	G313-H315 VanDerWaalsContact C-N 3.3Å; G313-H315 PolarHBondContact O-N 3.47Å; H315-H317 PolarHBondContact O-ND1 3.09Å; H315-L348 WeakPolarHBondContact CB-O 3.12Å; H315-R350 HydrophobicContact CB-CG 4.34Å; H315-R350 PolarHBondContact CD2-NH2 2.95Å
316	D	72.1	Confident	79.3	Confident	21 Å²	21	52.7 Å²	52.7	11%	0.112	26%	0.264	C	S	.	.			trans	-62.5	134	-169.8	-166.5	21	0	0	0	112.9	Q307 A311 I312 G313 E347	Q307-D316 PolarHBondContact NE2-OD2 2.88Å; Q307-D316 PolarHBondContact OE1-OD1 2.77Å; Q307-D316 PolarHBondContact OE1-OD2 2.95Å; A311-D316 WeakPolarHBondContact CA-OD2 3.38Å; A311-D316 HydrophobicContact CB-CB 4.34Å; I312-D316 PolarHBondContact N-OD2 2.82Å; G313-D316 VanDerWaalsContact O-CB 3.3Å; G313-D316 WeakPolarHBondContact O-CB 3.36Å; G313-D316 PolarHBondContact O-N 2.62Å; D316-E347 WeakPolarHBondContact CA-O 3.36Å
317	H	86.1	Confident	79.9	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	169.5	172.7	61.2	-75.5	0	0	0	108.6	T305 H315 E347 H349	T305-H317 WeakPolarHBondContact O-CB 3.44Å; H315-H317 PolarHBondContact O-ND1 3.09Å; H317-E347 PolarHBondContact N-O 2.94Å; H317-E347 WeakPolarHBondContact O-CB 3.38Å; H317-E347 PolarHBondContact O-N 2.81Å; H317-H349 PolarHBondContact CE1-O 2.83Å
318	I	91.3	Very high	80.9	Confident	13 Å²	13	51 Å²	51	7%	0.067	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	137.4	177.4	60.6	178.9	0	0	0	110.2	T304 T305 Q307 R320 V345	T304-I318 CarbonylContact C-O 3.6Å; T304-I318 VanDerWaalsContact CA-O 3.29Å; T304-I318 WeakPolarHBondContact CA-O 3.45Å; T305-I318 HydrophobicContact CG2-CD1 3.65Å; T305-I318 HydrophobicContact CG2-CG1 3.32Å; T305-I318 PolarHBondContact N-O 3.15Å; T305-I318 PolarHBondContact O-N 2.91Å; Q307-I318 HydrophobicContact CB-CG2 4.47Å; Q307-I318 HydrophobicContact CG-CG2 4.38Å; I318-R320 HydrophobicContact CD1-CG 3.99Å; I318-R320 HydrophobicContact CG1-CG 4.17Å; I318-V345 CarbonylContact C-O 3.36Å; I318-V345 VanDerWaalsContact CA-O 3.28Å; I318-V345 WeakPolarHBondContact CA-O 3.43Å
319	L	95	Very high	82.2	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	115.1	164	-176.7	160.2	0	0	0	107.7	L285 V321 E344 V345 E347 L353 L369	L285-L319 HydrophobicContact CD1-CD1 3.59Å; L285-L319 HydrophobicContact CD1-CG 4.1Å; L319-V321 HydrophobicContact CD2-CG2 4.08Å; L319-E344 WeakPolarHBondContact O-CA 3.34Å; L319-V345 HydrophobicContact CB-CB 4.28Å; L319-V345 PolarHBondContact N-O 3.46Å; L319-V345 PolarHBondContact O-N 3.4Å; L319-E347 HydrophobicContact CB-CG 4.21Å; L319-L353 HydrophobicContact CD1-CB 4.46Å; L319-L369 HydrophobicContact CD1-CD2 4.03Å; L319-L369 HydrophobicContact CD2-CD2 4.12Å
320	R	95.9	Very high	83.9	Confident	32 Å²	32	46.6 Å²	46.6	12%	0.121	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	138	176.9	-73.1	-170.7	165	148.6	-4.1	110.6	S302 Y303 T305 E308 I318 V322 L343 E344	S302-R320 VanDerWaalsContact CA-O 3.25Å; S302-R320 WeakPolarHBondContact CA-O 2.95Å; Y303-R320 HydrophobicContact CE1-CB 4.37Å; Y303-R320 HydrophobicContact CE2-CB 4.46Å; Y303-R320 PolarHBondContact N-O 2.89Å; Y303-R320 PolarHBondContact O-N 2.92Å; T305-R320 HydrophobicContact CG2-CG 3.85Å; E308-R320 IonicContact OE1-CZ 3.83Å; E308-R320 IonicContact OE1-NH1 3.2Å; E308-R320 PolarHBondContact OE1-NH1 2.95Å; E308-R320 IonicContact OE1-NH2 3.5Å; E308-R320 PolarHBondContact OE1-NH2 2.96Å; I318-R320 HydrophobicContact CD1-CG 3.99Å; I318-R320 HydrophobicContact CG1-CG 4.17Å; R320-V322 HydrophobicContact CB-CG2 3.82Å; R320-L343 WeakPolarHBondContact CA-O 3.39Å; R320-E344 HydrophobicContact CG-CG 4.22Å; R320-E344 IonicContact CZ-OE1 3.48Å; R320-E344 IonicContact NE-OE1 3.77Å; R320-E344 PolarHBondContact NE-OE1 2.73Å; R320-E344 IonicContact NH2-OE1 2.81Å; R320-E344 PolarHBondContact NH2-OE1 3.14Å
321	V	98	Very high	85.8	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.006	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	120.9	162.1	-178	0	0	0	0	108	V301 L319 F342 L343 L357 I367	V301-V321 WeakPolarHBondContact O-CA 3.11Å; L319-V321 HydrophobicContact CD2-CG2 4.08Å; V321-F342 HydrophobicContact CG1-CB 4.43Å; V321-F342 WeakPolarHBondContact O-CB 3.42Å; V321-F342 PolarHBondContact O-N 3.43Å; V321-L343 HydrophobicContact CB-CB 4.22Å; V321-L343 HydrophobicContact CG2-CB 4.41Å; V321-L343 PolarHBondContact N-O 3.12Å; V321-L343 PolarHBondContact O-N 3.25Å; V321-L357 HydrophobicContact CG1-CD1 4.29Å; V321-L357 HydrophobicContact CG1-CD2 4.03Å; V321-L357 HydrophobicContact CG2-CD2 4.33Å; V321-I367 HydrophobicContact CG1-CD1 4.24Å; V321-I367 HydrophobicContact CG2-CD1 4.28Å; V321-I367 HydrophobicContact CG2-CG2 4.31Å
322	V	98.2	Very high	87.6	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.006	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	130.8	-169.3	-171.9	0	0	0	0	110.6	Y300 V301 Y303 R320 Y324 A339 V341	Y300-V322 CarbonylContact C-O 3.12Å; Y300-V322 WeakPolarHBondContact CA-O 3.39Å; V301-V322 HydrophobicContact CG2-CB 4.18Å; V301-V322 PolarHBondContact N-O 3.05Å; V301-V322 PolarHBondContact O-N 3.37Å; Y303-V322 HydrophobicContact CE1-CB 4.21Å; Y303-V322 HydrophobicContact CE1-CG2 3.62Å; R320-V322 HydrophobicContact CB-CG2 3.82Å; V322-Y324 HydrophobicContact CB-CD2 4.34Å; V322-Y324 HydrophobicContact CB-CE2 3.83Å; V322-Y324 HydrophobicContact CG1-CD2 3.94Å; V322-Y324 HydrophobicContact CG1-CE2 3.44Å; V322-Y324 VanDerWaalsContact CG1-CE2 3.44Å; V322-A339 HydrophobicContact CG1-CB 4.13Å; V322-V341 HydrophobicContact CG2-CG2 4.35Å
323	E	98.3	Very high	89.1	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	133.8	168.3	-179.6	-169	95.9	0	0	110.1	K298 L299 Y300 A339 R340 F342	K298-E323 HydrophobicContact CD-CG 4.06Å; K298-E323 IonicContact NZ-OE1 3.86Å; K298-E323 PolarHBondContact NZ-OE1 3.23Å; L299-E323 CarbonylContact O-C 3.55Å; L299-E323 WeakPolarHBondContact O-CA 3.34Å; Y300-E323 HydrophobicContact CD1-CB 3.85Å; Y300-E323 HydrophobicContact CD1-CG 4.22Å; Y300-E323 HydrophobicContact CE1-CB 3.67Å; Y300-E323 HydrophobicContact CE1-CG 3.69Å; Y300-E323 PolarHBondContact OH-OE2 2.8Å; Y300-E323 VanDerWaalsContact OH-OE2 3.13Å; E323-A339 WeakPolarHBondContact O-CA 3.23Å; E323-R340 HydrophobicContact CB-CB 4.32Å; E323-R340 PolarHBondContact N-O 2.81Å; E323-R340 PolarHBondContact O-N 2.71Å; E323-R340 IonicContact OE1-CZ 3.86Å; E323-R340 IonicContact OE1-NE 3.41Å; E323-R340 PolarHBondContact OE1-NE 2.98Å; E323-R340 IonicContact OE1-NH2 2.65Å; E323-R340 PolarHBondContact OE1-NH2 3.02Å; E323-R340 IonicContact OE2-CZ 2.85Å; E323-R340 IonicContact OE2-NE 3.76Å; E323-R340 IonicContact OE2-NH2 3.49Å; E323-R340 PolarHBondContact OE2-NH2 2.77Å; E323-F342 HydrophobicContact CB-CD2 3.97Å; E323-F342 HydrophobicContact CB-CE2 3.43Å; E323-F342 VanDerWaalsContact CB-CE2 3.43Å; E323-F342 HydrophobicContact CB-CZ 4.24Å; E323-F342 HydrophobicContact CG-CE2 4.27Å
324	Y	98.1	Very high	90.9	Very high	1 Å²	1	38.3 Å²	38.3	0%	0.004	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	164.5	168.3	-73.6	-92.1	0	0	0	110.6	L266 L299 V301 V322 V334 V336 A339	L266-Y324 HydrophobicContact CD1-CD1 4.45Å; L299-Y324 WeakPolarHBondContact CD2-O 3.33Å; L299-Y324 PolarHBondContact N-O 2.82Å; L299-Y324 PolarHBondContact O-N 2.87Å; V301-Y324 HydrophobicContact CG2-CD2 3.68Å; V301-Y324 HydrophobicContact CG2-CE2 3.5Å; V322-Y324 HydrophobicContact CB-CD2 4.34Å; V322-Y324 HydrophobicContact CB-CE2 3.83Å; V322-Y324 HydrophobicContact CG1-CD2 3.94Å; V322-Y324 HydrophobicContact CG1-CE2 3.44Å; V322-Y324 VanDerWaalsContact CG1-CE2 3.44Å; Y324-V334 HydrophobicContact CD1-CG1 3.97Å; Y324-V334 HydrophobicContact CG-CG1 4.1Å; Y324-V336 HydrophobicContact CE1-CG1 4.13Å; Y324-A339 HydrophobicContact CD1-CB 4.18Å; Y324-A339 HydrophobicContact CE1-CB 3.53Å
325	T	97.2	Very high	92.8	Very high	4 Å²	4	34 Å²	34	3%	0.025	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	132.8	178.6	-51.7	0	0	0	0	110.5	G297 K298 V334 D335 T338 L604 Y617	G297-T325 WeakPolarHBondContact O-CA 3.4Å; K298-T325 PolarHBondContact NZ-OG1 2.9Å; T325-V334 WeakPolarHBondContact O-CG1 3.32Å; T325-D335 PolarHBondContact O-N 2.74Å; T325-T338 WeakPolarHBondContact CB-OG1 3.5Å; T325-T338 PolarHBondContact N-OG1 3.49Å; T325-T338 PolarHBondContact O-OG1 3.25Å; T325-L604 HydrophobicContact CG2-CD1 4.3Å; T325-Y617 HydrophobicContact CG2-CE1 4.02Å; T325-Y617 HydrophobicContact CG2-CE2 4.41Å; T325-Y617 WeakPolarHBondContact CG2-OH 3.4Å
326	V	97.3	Very high	94.4	Very high	8 Å²	8	33 Å²	33	5%	0.048	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	145.6	174.1	71.1	0	0	0	0	111.1	Y265 Y293 G297 R328 Q333 L604	Y265-V326 HydrophobicContact CE2-CG2 3.98Å; Y293-V326 HydrophobicContact CE2-CB 4.27Å; Y293-V326 HydrophobicContact CE2-CG1 4.39Å; G297-V326 PolarHBondContact O-N 2.91Å; V326-R328 PolarHBondContact O-N 2.78Å; V326-Q333 WeakPolarHBondContact CG2-O 3.3Å; V326-L604 HydrophobicContact CG1-CD1 3.62Å; V326-L604 HydrophobicContact CG1-CD2 4.1Å; V326-L604 HydrophobicContact CG1-CG 3.78Å
327	S	95.8	Very high	95.5	Very high	21 Å²	21	42.2 Å²	42.2	15%	0.147	19%	0.193	C	C	.	.			trans	-59.6	133.6	179.4	175.9	0	0	0	0	111	K329 N330 Q333	S327-K329 PolarHBondContact O-N 3.04Å; S327-K329 VanDerWaalsContact O-N 3.13Å; S327-K329 PolarHBondContact OG-N 3.06Å; S327-N330 WeakPolarHBondContact CB-O 3.36Å; S327-N330 PolarHBondContact O-N 3.1Å; S327-N330 PolarHBondContact OG-N 3.2Å; S327-Q333 WeakPolarHBondContact CB-O 3.18Å; S327-Q333 PolarHBondContact N-O 2.98Å
328	R	92.4	Very high	95.9	Very high	81 Å²	81	44 Å²	44	31%	0.306	20%	0.204	S	C	.	.	S	Bend	trans	-63.8	-18.9	176.9	-52.7	-178.5	-178.6	-176.4	6.7	112.8	V326 S609 C612	V326-R328 PolarHBondContact O-N 2.78Å; R328-S609 WeakPolarHBondContact CD-O 3.3Å; R328-S609 WeakPolarHBondContact CG-OG 3.37Å; R328-S609 PolarHBondContact NE-O 3.03Å; R328-S609 VanDerWaalsContact NE-O 3.14Å; R328-S609 PolarHBondContact NH1-O 2.74Å; R328-C612 VanDerWaalsContact CZ-O 3.29Å; R328-C612 PolarHBondContact NH1-O 3.13Å; R328-C612 PolarHBondContact NH2-O 2.66Å
329	K	93	Very high	96.2	Very high	192 Å²	192	45.8 Å²	45.8	84%	0.835	22%	0.22	S	C	*	.	S	Bend	trans	-103.3	-26.9	-176.6	-62.3	-177.3	179.8	-178.2	0	113.3	S327	S327-K329 PolarHBondContact O-N 3.04Å; S327-K329 VanDerWaalsContact O-N 3.13Å; S327-K329 PolarHBondContact OG-N 3.06Å
330	N	95.3	Very high	96.2	Very high	57 Å²	57	47.1 Å²	47.1	31%	0.305	23%	0.226	S	C	.	.			trans	-137	112.1	-174.2	-177.6	3.4	0	0	0	110.2	S327 H332 Q333	S327-N330 WeakPolarHBondContact CB-O 3.36Å; S327-N330 PolarHBondContact O-N 3.1Å; S327-N330 PolarHBondContact OG-N 3.2Å; N330-H332 PolarHBondContact O-N 2.82Å; N330-H332 VanDerWaalsContact O-N 3.13Å; N330-H332 WeakPolarHBondContact OD1-CB 3.36Å; N330-H332 PolarHBondContact OD1-N 3.22Å; N330-Q333 HydrophobicContact CB-CB 4.41Å; N330-Q333 PolarHBondContact O-N 2.85Å
331	P	95.8	Very high	96.1	Very high	19 Å²	19	48.6 Å²	48.6	12%	0.123	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-7.3	179.6	30.5	-35.5	0	0	0	113.7	R241 A601	R241-P331 PolarHBondContact NH1-O 3.29Å; P331-A601 HydrophobicContact CB-CB 4.01Å; P331-A601 HydrophobicContact CG-CB 4.45Å
332	H	96.8	Very high	95.9	Very high	58 Å²	58	49.1 Å²	49.1	27%	0.269	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	11.7	-179.3	-51.9	-51.5	0	0	0	113.2	R241 I253 F261 N330	R241-H332 PolarHBondContact NH1-ND1 2.91Å; R241-H332 VanDerWaalsContact NH1-ND1 3.15Å; I253-H332 HydrophobicContact CD1-CB 3.89Å; F261-H332 HydrophobicContact CD2-CB 4.08Å; F261-H332 HydrophobicContact CE2-CB 3.82Å; F261-H332 AromaticContact CE2-CD2 3.76Å; F261-H332 AromaticContact CE2-CG 3.52Å; F261-H332 AromaticContact CE2-ND1 3.75Å; N330-H332 PolarHBondContact O-N 2.82Å; N330-H332 VanDerWaalsContact O-N 3.13Å; N330-H332 WeakPolarHBondContact OD1-CB 3.36Å; N330-H332 PolarHBondContact OD1-N 3.22Å
333	Q	97.5	Very high	95.7	Very high	79 Å²	79	49.5 Å²	49.5	37%	0.369	24%	0.242	S	C	.	.	S	Bend	trans	-148.1	142.5	178.4	-166.2	174.8	34.8	0	0	111.8	Y265 V326 S327 N330	Y265-Q333 CarbonylContact O-C 3.57Å; V326-Q333 WeakPolarHBondContact CG2-O 3.3Å; S327-Q333 WeakPolarHBondContact CB-O 3.18Å; S327-Q333 PolarHBondContact N-O 2.98Å; N330-Q333 HydrophobicContact CB-CB 4.41Å; N330-Q333 PolarHBondContact O-N 2.85Å
334	V	97.7	Very high	95.4	Very high	8 Å²	8	54.1 Å²	54.1	5%	0.048	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	142.4	175.9	177.6	0	0	0	0	111.1	Y265 L266 L299 Y324 T325 V336	Y265-V334 HydrophobicContact CD1-CG2 3.75Å; Y265-V334 HydrophobicContact CD2-CG2 4.11Å; Y265-V334 HydrophobicContact CE1-CG2 3.28Å; Y265-V334 HydrophobicContact CE2-CG2 3.68Å; Y265-V334 HydrophobicContact CG-CG2 4.14Å; Y265-V334 WeakPolarHBondContact O-CB 3.19Å; Y265-V334 WeakPolarHBondContact O-CG2 3.25Å; Y265-V334 PolarHBondContact O-N 3.03Å; Y265-V334 WeakPolarHBondContact OH-CG2 3.49Å; L266-V334 HydrophobicContact CB-CG2 4.37Å; L266-V334 HydrophobicContact CD1-CB 3.96Å; L266-V334 HydrophobicContact CD1-CG1 3.9Å; L266-V334 HydrophobicContact CD1-CG2 4.49Å; L299-V334 HydrophobicContact CD1-CG2 4.14Å; L299-V334 HydrophobicContact CD2-CG1 4.31Å; L299-V334 HydrophobicContact CD2-CG2 3.87Å; Y324-V334 HydrophobicContact CD1-CG1 3.97Å; Y324-V334 HydrophobicContact CG-CG1 4.1Å; T325-V334 WeakPolarHBondContact O-CG1 3.32Å; V334-V336 PolarHBondContact O-N 3.19Å
335	D	96.1	Very high	95.1	Very high	33 Å²	33	54.1 Å²	54.1	18%	0.176	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	102.1	170.8	-171.2	-12.3	0	0	0	109.8	T325 R337 T338	T325-D335 PolarHBondContact O-N 2.74Å; D335-R337 PolarHBondContact O-N 2.78Å; D335-R337 WeakPolarHBondContact OD1-CB 3.22Å; D335-R337 IonicContact OD1-CZ 2.83Å; D335-R337 PolarHBondContact OD1-N 2.88Å; D335-R337 VanDerWaalsContact OD1-N 3.15Å; D335-R337 IonicContact OD1-NE 2.74Å; D335-R337 PolarHBondContact OD1-NE 2.84Å; D335-R337 IonicContact OD1-NH2 3.03Å; D335-R337 IonicContact OD2-CZ 3.86Å; D335-R337 IonicContact OD2-NE 3.18Å; D335-R337 PolarHBondContact OD2-NE 2.88Å; D335-R337 IonicContact OD2-NH2 2.82Å; D335-R337 PolarHBondContact OD2-NH2 2.88Å; D335-T338 HydrophobicContact CB-CG2 3.87Å; D335-T338 WeakPolarHBondContact O-CB 3.45Å; D335-T338 PolarHBondContact O-N 2.88Å; D335-T338 PolarHBondContact O-OG1 3.39Å
336	V	94.9	Very high	94.8	Very high	63 Å²	63	54.5 Å²	54.5	38%	0.382	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	-23.2	-177.1	-176.2	0	0	0	0	112.5	L266 I268 Y324 V334 T338 A339	L266-V336 HydrophobicContact CD1-CG2 4.32Å; I268-V336 HydrophobicContact CG2-CG1 4.38Å; Y324-V336 HydrophobicContact CE1-CG1 4.13Å; V334-V336 PolarHBondContact O-N 3.19Å; V336-T338 PolarHBondContact O-N 2.82Å; V336-A339 WeakPolarHBondContact O-CB 3.4Å; V336-A339 PolarHBondContact O-N 3.13Å
337	R	94.3	Very high	94.3	Very high	214 Å²	214	54.1 Å²	54.1	81%	0.808	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.7	-11.5	177.2	-56.6	171.2	-63.2	173.8	6.6	113.3	D335 A339	D335-R337 PolarHBondContact O-N 2.78Å; D335-R337 WeakPolarHBondContact OD1-CB 3.22Å; D335-R337 IonicContact OD1-CZ 2.83Å; D335-R337 PolarHBondContact OD1-N 2.88Å; D335-R337 VanDerWaalsContact OD1-N 3.15Å; D335-R337 IonicContact OD1-NE 2.74Å; D335-R337 PolarHBondContact OD1-NE 2.84Å; D335-R337 IonicContact OD1-NH2 3.03Å; D335-R337 IonicContact OD2-CZ 3.86Å; D335-R337 IonicContact OD2-NE 3.18Å; D335-R337 PolarHBondContact OD2-NE 2.88Å; D335-R337 IonicContact OD2-NH2 2.82Å; D335-R337 PolarHBondContact OD2-NH2 2.88Å; R337-A339 VanDerWaalsContact C-N 3.26Å
338	T	95.6	Very high	93.9	Very high	38 Å²	38	53.7 Å²	53.7	23%	0.233	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	5.5	178.3	66.4	0	0	0	0	113.2	T325 D335 V336 R340	T325-T338 WeakPolarHBondContact CB-OG1 3.5Å; T325-T338 PolarHBondContact N-OG1 3.49Å; T325-T338 PolarHBondContact O-OG1 3.25Å; D335-T338 HydrophobicContact CB-CG2 3.87Å; D335-T338 WeakPolarHBondContact O-CB 3.45Å; D335-T338 PolarHBondContact O-N 2.88Å; D335-T338 PolarHBondContact O-OG1 3.39Å; V336-T338 PolarHBondContact O-N 2.82Å; T338-R340 PolarHBondContact O-N 3.02Å
339	A	96.2	Very high	93.7	Very high	50 Å²	50	53 Å²	53	41%	0.413	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.9	124.2	176.4	0	0	0	0	0	111.1	V322 E323 Y324 V336 R337	V322-A339 HydrophobicContact CG1-CB 4.13Å; E323-A339 WeakPolarHBondContact O-CA 3.23Å; Y324-A339 HydrophobicContact CD1-CB 4.18Å; Y324-A339 HydrophobicContact CE1-CB 3.53Å; V336-A339 WeakPolarHBondContact O-CB 3.4Å; V336-A339 PolarHBondContact O-N 3.13Å; R337-A339 VanDerWaalsContact C-N 3.26Å
340	R	95.3	Very high	93.5	Very high	29 Å²	29	47.8 Å²	47.8	11%	0.109	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	110.8	175.5	-173.2	172.3	75.5	95.4	-7.5	108.6	E323 T338 P405	E323-R340 HydrophobicContact CB-CB 4.32Å; E323-R340 PolarHBondContact N-O 2.81Å; E323-R340 PolarHBondContact O-N 2.71Å; E323-R340 IonicContact OE1-CZ 3.86Å; E323-R340 IonicContact OE1-NE 3.41Å; E323-R340 PolarHBondContact OE1-NE 2.98Å; E323-R340 IonicContact OE1-NH2 2.65Å; E323-R340 PolarHBondContact OE1-NH2 3.02Å; E323-R340 IonicContact OE2-CZ 2.85Å; E323-R340 IonicContact OE2-NE 3.76Å; E323-R340 IonicContact OE2-NH2 3.49Å; E323-R340 PolarHBondContact OE2-NH2 2.77Å; T338-R340 PolarHBondContact O-N 3.02Å; R340-P405 PolarHBondContact NH1-O 3.18Å; R340-P405 PolarHBondContact NH2-O 3.41Å
341	V	95.2	Very high	93.3	Very high	62 Å²	62	49.6 Å²	49.6	38%	0.376	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	133.4	-177.5	-176	0	0	0	0	109.5	V322 E344	V322-V341 HydrophobicContact CG2-CG2 4.35Å; V341-E344 HydrophobicContact CG1-CG 3.61Å
342	F	93.9	Very high	93.1	Very high	12 Å²	12	50.4 Å²	50.4	5%	0.053	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	-53.9	176.2	-89.9	-126.3	0	0	0	110.7	Y300 V321 E323 V397 P405 Y406	Y300-F342 HydrophobicContact CD1-CZ 4.41Å; Y300-F342 HydrophobicContact CE1-CE1 4.05Å; Y300-F342 HydrophobicContact CE1-CE2 4.05Å; Y300-F342 AromaticContact CE1-CZ 3.64Å; Y300-F342 HydrophobicContact CE1-CZ 3.64Å; V321-F342 HydrophobicContact CG1-CB 4.43Å; V321-F342 WeakPolarHBondContact O-CB 3.42Å; V321-F342 PolarHBondContact O-N 3.43Å; E323-F342 HydrophobicContact CB-CD2 3.97Å; E323-F342 HydrophobicContact CB-CE2 3.43Å; E323-F342 VanDerWaalsContact CB-CE2 3.43Å; E323-F342 HydrophobicContact CB-CZ 4.24Å; E323-F342 HydrophobicContact CG-CE2 4.27Å; F342-V397 HydrophobicContact CE1-CB 4.29Å; F342-V397 HydrophobicContact CE1-CG1 3.84Å; F342-V397 HydrophobicContact CZ-CG1 4.49Å; F342-P405 HydrophobicContact CD2-CB 4.18Å; F342-P405 HydrophobicContact CE2-CB 4.3Å; F342-P405 HydrophobicContact CG-CB 4.35Å; F342-P405 WeakPolarHBondContact CZ-O 3.41Å; F342-Y406 HydrophobicContact CB-CD1 4.46Å; F342-Y406 AromaticContact CD1-CD1 3.73Å; F342-Y406 HydrophobicContact CD1-CD1 3.73Å; F342-Y406 HydrophobicContact CD1-CG 4.35Å; F342-Y406 HydrophobicContact CE1-CD1 4.34Å; F342-Y406 HydrophobicContact CG-CD1 4.34Å; F342-Y406 WeakPolarHBondContact O-CE1 3.47Å
343	L	93.4	Very high	92.9	Very high	9 Å²	9	47.7 Å²	47.7	5%	0.047	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	146.5	-177.6	-65.1	176.2	0	0	0	109.9	R320 V321 I367 F388 L393 L395 Y406	R320-L343 WeakPolarHBondContact CA-O 3.39Å; V321-L343 HydrophobicContact CB-CB 4.22Å; V321-L343 HydrophobicContact CG2-CB 4.41Å; V321-L343 PolarHBondContact N-O 3.12Å; V321-L343 PolarHBondContact O-N 3.25Å; L343-I367 HydrophobicContact CD1-CD1 3.53Å; L343-F388 HydrophobicContact CD2-CE2 4.03Å; L343-L393 HydrophobicContact CD1-CD1 3.56Å; L343-L395 HydrophobicContact CD1-CD1 4.03Å; L343-L395 HydrophobicContact CG-CD1 4.4Å; L343-Y406 HydrophobicContact CD2-CE1 3.9Å; L343-Y406 WeakPolarHBondContact CD2-OH 3.23Å; L343-Y406 HydrophobicContact CG-CE1 4.47Å
344	E	92.6	Very high	92.8	Very high	99 Å²	99	44.9 Å²	44.9	46%	0.463	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	119.3	167.7	-54.2	-167.7	127.6	0	0	106.9	L319 R320 V341	L319-E344 WeakPolarHBondContact O-CA 3.34Å; R320-E344 HydrophobicContact CG-CG 4.22Å; R320-E344 IonicContact CZ-OE1 3.48Å; R320-E344 IonicContact NE-OE1 3.77Å; R320-E344 PolarHBondContact NE-OE1 2.73Å; R320-E344 IonicContact NH2-OE1 2.81Å; R320-E344 PolarHBondContact NH2-OE1 3.14Å; V341-E344 HydrophobicContact CG1-CG 3.61Å
345	V	91.4	Very high	92.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	123.8	179.4	-178.5	0	0	0	0	107.2	I318 L319 L369 F388 T389	I318-V345 CarbonylContact C-O 3.36Å; I318-V345 VanDerWaalsContact CA-O 3.28Å; I318-V345 WeakPolarHBondContact CA-O 3.43Å; L319-V345 HydrophobicContact CB-CB 4.28Å; L319-V345 PolarHBondContact N-O 3.46Å; L319-V345 PolarHBondContact O-N 3.4Å; V345-L369 HydrophobicContact CG2-CD1 4.04Å; V345-F388 HydrophobicContact CG2-CD2 4.25Å; V345-T389 HydrophobicContact CG1-CG2 3.83Å
346	A	89.6	Confident	92.8	Very high	12 Å²	12	44.2 Å²	44.2	10%	0.099	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	133.1	176.1	0	0	0	0	0	110.3	L385	A346-L385 HydrophobicContact CB-CD2 4.49Å
347	E	88.5	Confident	93	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	117	-176	-69.3	-73.3	-176.2	0	0	110.8	D316 H317 L319 L353 G372	D316-E347 WeakPolarHBondContact CA-O 3.36Å; H317-E347 PolarHBondContact N-O 2.94Å; H317-E347 WeakPolarHBondContact O-CB 3.38Å; H317-E347 PolarHBondContact O-N 2.81Å; L319-E347 HydrophobicContact CB-CG 4.21Å; E347-L353 HydrophobicContact CB-CD2 4.35Å; E347-L353 HydrophobicContact CG-CD2 3.93Å; E347-G372 WeakPolarHBondContact OE2-CA 3.34Å
348	L	86.6	Confident	93.1	Very high	13 Å²	13	31.8 Å²	31.8	7%	0.068	17%	0.166	C	C	.	.	S	Bend	trans	-79.5	-24.7	177.6	-64.9	178.3	0	0	0	112.7	I312 H315 I374 D378 M382 L385	I312-L348 HydrophobicContact CG2-CD2 4.34Å; H315-L348 WeakPolarHBondContact CB-O 3.12Å; L348-I374 HydrophobicContact CD1-CG1 4.48Å; L348-D378 HydrophobicContact CD1-CB 4.05Å; L348-M382 HydrophobicContact CD1-SD 3.72Å; L348-M382 HydrophobicContact CD2-CE 4.35Å; L348-M382 HydrophobicContact CD2-SD 4.13Å; L348-L385 HydrophobicContact CD1-CD1 4.17Å; L348-L385 HydrophobicContact CD1-CD2 4.04Å; L348-L385 HydrophobicContact CD2-CD2 4.19Å; L348-L385 HydrophobicContact CG-CD2 3.94Å
349	H	88.1	Confident	93.2	Very high	65 Å²	65	30.6 Å²	30.6	30%	0.301	16%	0.157	S	C	.	.	S	Bend	trans	-131.4	162.6	-175.2	-57.7	-73.8	0	0	0	113	H317 G372 M373	H317-H349 PolarHBondContact CE1-O 2.83Å; H349-G372 WeakPolarHBondContact CB-O 3.46Å; H349-G372 PolarHBondContact CD2-O 3.49Å; H349-G372 VanDerWaalsContact CD2-O 3.29Å; H349-M373 HydrophobicContact CB-CB 4.45Å; H349-M373 HydrophobicContact CB-CE 3.34Å
350	R	89.7	Confident	93	Very high	84 Å²	84	28.4 Å²	28.4	32%	0.317	14%	0.14	S	C	.	.	S	Bend	trans	-97.9	17.6	-170.3	-54.9	179.1	174.4	170.1	5.6	114.2	D280 E281 R282 H315	D280-R350 IonicContact OD2-NH1 3.95Å; E281-R350 PolarHBondContact N-O 2.97Å; R282-R350 HydrophobicContact CG-CB 4.18Å; R282-R350 HydrophobicContact CG-CG 4.32Å; R282-R350 VanDerWaalsContact CZ-NE 3.29Å; R282-R350 VanDerWaalsContact NE-CD 3.34Å; H315-R350 HydrophobicContact CB-CG 4.34Å; H315-R350 PolarHBondContact CD2-NH2 2.95Å
351	K	89.6	Confident	92.9	Very high	95 Å²	95	30 Å²	30	41%	0.413	15%	0.154	S	C	.	.	S	Bend	trans	-140.6	164.1	-175	-68.8	-174	174.8	-173.9	0	109	G279 E281 L353 M373	G279-K351 WeakPolarHBondContact O-CE 3.41Å; G279-K351 VanDerWaalsContact O-CG 3.24Å; G279-K351 WeakPolarHBondContact O-CG 3.44Å; E281-K351 WeakPolarHBondContact OE2-CA 3.3Å; K351-L353 PolarHBondContact O-N 3.07Å; K351-M373 HydrophobicContact CB-CE 3.86Å; K351-M373 HydrophobicContact CB-SD 4.25Å; K351-M373 HydrophobicContact CD-CE 4.42Å; K351-M373 HydrophobicContact CG-CE 4.48Å
352	H	92.3	Very high	92.7	Very high	36 Å²	36	29.1 Å²	29.1	17%	0.167	15%	0.147	C	C	.	.	S	Bend	trans	60	36.4	-178.6	-60.5	-160.3	0	0	0	111.1	E281 G370 D371 G372 M373 H430 D431	E281-H352 PolarHBondContact OE2-N 3.27Å; H352-G370 CarbonylContact O-C 3.52Å; H352-G370 WeakPolarHBondContact O-CA 3.05Å; H352-D371 VanDerWaalsContact CB-OD1 3.29Å; H352-D371 WeakPolarHBondContact CB-OD1 3.45Å; H352-D371 IonicContact CE1-OD1 2.69Å; H352-D371 IonicContact CG-OD1 3.64Å; H352-D371 IonicContact ND1-OD1 2.74Å; H352-D371 PolarHBondContact ND1-OD1 3.28Å; H352-D371 IonicContact ND1-OD2 3.6Å; H352-D371 PolarHBondContact O-N 2.86Å; H352-G372 PolarHBondContact O-N 2.88Å; H352-M373 HydrophobicContact CB-CG 4.16Å; H352-M373 WeakPolarHBondContact ND1-CG 3.39Å; H352-H430 WeakPolarHBondContact CB-O 3.41Å; H352-D431 HydrophobicContact CB-CB 4.42Å; H352-D431 VanDerWaalsContact CD2-CG 3.42Å; H352-D431 IonicContact CD2-OD1 3.6Å; H352-D431 IonicContact CD2-OD2 3.4Å; H352-D431 IonicContact NE2-OD2 2.74Å
353	L	93.4	Very high	92.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.154	C	C	.	.			trans	-80	-40.5	-176.5	-57.9	180	0	0	0	111.1	E281 R282 L285 T304 L319 E347 K351 G355 G370	E281-L353 HydrophobicContact CB-CD1 3.74Å; E281-L353 HydrophobicContact CB-CG 4.16Å; E281-L353 PolarHBondContact OE2-N 3.21Å; R282-L353 HydrophobicContact CG-CD1 4.21Å; L285-L353 HydrophobicContact CD1-CB 4.37Å; T304-L353 HydrophobicContact CG2-CD1 3.83Å; L319-L353 HydrophobicContact CD1-CB 4.46Å; E347-L353 HydrophobicContact CB-CD2 4.35Å; E347-L353 HydrophobicContact CG-CD2 3.93Å; K351-L353 PolarHBondContact O-N 3.07Å; L353-G355 PolarHBondContact O-N 3.15Å; L353-G370 PolarHBondContact O-N 2.93Å
354	G	94.7	Very high	92.8	Very high	21 Å²	21	30.9 Å²	30.9	22%	0.216	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	62.9	-115.6	-168	0	0	0	0	0	111.3
355	G	95.4	Very high	93.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	90.3	13	177.6	0	0	0	0	0	114.6	S286 S302 L353 L357 I368	S286-G355 WeakPolarHBondContact CB-O 3.3Å; S302-G355 WeakPolarHBondContact CB-O 3.4Å; S302-G355 PolarHBondContact OG-O 2.88Å; L353-G355 PolarHBondContact O-N 3.15Å; G355-L357 PolarHBondContact O-N 3.16Å; G355-I368 WeakPolarHBondContact CA-O 3.44Å; G355-I368 PolarHBondContact N-O 2.81Å
356	Q	98.2	Very high	93.4	Very high	26 Å²	26	26.2 Å²	26.2	12%	0.121	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	127.6	178	-178.9	173.9	-10.3	0	0	111	L358 I368 C435	Q356-L358 HydrophobicContact CG-CD2 4.46Å; Q356-I368 HydrophobicContact CB-CB 4.3Å; Q356-I368 PolarHBondContact N-O 3.06Å; Q356-I368 PolarHBondContact O-N 2.96Å; Q356-C435 PolarHBondContact NE2-O 3.01Å; Q356-C435 VanDerWaalsContact NE2-O 3.12Å
357	L	98.4	Very high	93.8	Very high	8 Å²	8	25.6 Å²	25.6	4%	0.042	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	135.9	175.3	-59.7	178.6	0	0	0	110	S286 A288 Y300 V321 G355 L365 I367	S286-L357 PolarHBondContact OG-N 3.17Å; S286-L357 VanDerWaalsContact OG-N 3.09Å; A288-L357 HydrophobicContact CB-CB 3.71Å; Y300-L357 WeakPolarHBondContact O-CD1 3.48Å; V321-L357 HydrophobicContact CG1-CD1 4.29Å; V321-L357 HydrophobicContact CG1-CD2 4.03Å; V321-L357 HydrophobicContact CG2-CD2 4.33Å; G355-L357 PolarHBondContact O-N 3.16Å; L357-L365 HydrophobicContact CB-CD1 4.38Å; L357-I367 HydrophobicContact CD2-CB 4.2Å; L357-I367 HydrophobicContact CD2-CD1 4.34Å; L357-I367 HydrophobicContact CD2-CG1 3.73Å; L357-I367 HydrophobicContact CD2-CG2 3.9Å
358	L	96.8	Very high	94.2	Very high	9 Å²	9	25.7 Å²	25.7	5%	0.047	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	147.6	174.5	66.2	100.3	0	0	0	111.7	Q356 Y366 I368 V437 I450	Q356-L358 HydrophobicContact CG-CD2 4.46Å; L358-Y366 HydrophobicContact CD1-CD2 4Å; L358-Y366 HydrophobicContact CD1-CG 4.16Å; L358-Y366 PolarHBondContact N-O 3.12Å; L358-Y366 VanDerWaalsContact N-O 3.1Å; L358-Y366 PolarHBondContact O-N 2.95Å; L358-I368 HydrophobicContact CD2-CD1 3.82Å; L358-I368 HydrophobicContact CD2-CG1 4.48Å; L358-V437 HydrophobicContact CD1-CG1 3.99Å; L358-V437 HydrophobicContact CD1-CG2 4.14Å; L358-V437 HydrophobicContact CD2-CG2 3.63Å; L358-V437 HydrophobicContact CG-CG2 4.29Å; L358-I450 HydrophobicContact CD1-CD1 4.48Å
359	F	97.3	Very high	94.7	Very high	12 Å²	12	25.1 Å²	25.1	5%	0.053	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	129.6	168.2	-77.4	-86.4	0	0	0	110.9	A288 F289 P291 Y300 G363 F364 L365 V397	A288-F359 HydrophobicContact CB-CD2 4.08Å; A288-F359 HydrophobicContact CB-CE2 4.11Å; F289-F359 WeakPolarHBondContact O-CD2 3.21Å; F289-F359 WeakPolarHBondContact O-CE2 2.95Å; P291-F359 HydrophobicContact CG-CB 3.85Å; P291-F359 HydrophobicContact CG-CD1 3.82Å; P291-F359 HydrophobicContact CG-CD2 4.48Å; P291-F359 HydrophobicContact CG-CG 3.8Å; Y300-F359 AromaticContact CD2-CE2 3.68Å; Y300-F359 HydrophobicContact CD2-CE2 3.68Å; Y300-F359 AromaticContact CD2-CZ 3.73Å; Y300-F359 HydrophobicContact CD2-CZ 3.73Å; Y300-F359 AromaticContact CE2-CE2 3.88Å; Y300-F359 HydrophobicContact CE2-CE2 3.88Å; Y300-F359 AromaticContact CE2-CZ 3.53Å; Y300-F359 HydrophobicContact CE2-CZ 3.53Å; F359-G363 WeakPolarHBondContact CD1-O 3.47Å; F359-F364 WeakPolarHBondContact CA-O 3.4Å; F359-F364 WeakPolarHBondContact CD1-O 3.38Å; F359-L365 HydrophobicContact CD1-CB 4.38Å; F359-L365 HydrophobicContact CD2-CD1 4.28Å; F359-L365 HydrophobicContact CE1-CB 3.86Å; F359-L365 HydrophobicContact CE1-CD1 4.44Å; F359-L365 HydrophobicContact CE2-CD1 3.91Å; F359-L365 HydrophobicContact CZ-CB 4.07Å; F359-L365 HydrophobicContact CZ-CD1 3.99Å; F359-L365 HydrophobicContact CZ-CG 4.48Å; F359-V397 HydrophobicContact CE1-CG1 4.46Å; F359-V397 HydrophobicContact CE1-CG2 3.77Å; F359-V397 HydrophobicContact CZ-CG1 4.47Å; F359-V397 HydrophobicContact CZ-CG2 4.02Å
360	G	93.4	Very high	95	Very high	5 Å²	5	22 Å²	22	5%	0.052	12%	0.117	C	C	.	.			trans	-75.9	166.7	170.3	0	0	0	0	0	112.2	D362 G363 F364	G360-D362 VanDerWaalsContact C-OD1 3.29Å; G360-D362 VanDerWaalsContact CA-OD1 3.3Å; G360-D362 WeakPolarHBondContact CA-OD1 3.42Å; G360-D362 PolarHBondContact O-N 2.79Å; G360-G363 PolarHBondContact O-N 3.12Å; G360-F364 PolarHBondContact N-O 2.84Å
361	P	91.8	Very high	95.1	Very high	61 Å²	61	19.5 Å²	19.5	40%	0.396	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-13.9	175	28.6	-34.1	0	0	0	113.2	G363 N447 L448	P361-G363 VanDerWaalsContact C-N 3.29Å; P361-N447 WeakPolarHBondContact CG-O 3.46Å; P361-L448 HydrophobicContact CG-CB 4.47Å
362	D	91.1	Very high	95	Very high	44 Å²	44	15 Å²	15	24%	0.235	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-8.2	170.8	50.6	3.1	0	0	0	113.9	G360 F364 Y366 R394	G360-D362 VanDerWaalsContact C-OD1 3.29Å; G360-D362 VanDerWaalsContact CA-OD1 3.3Å; G360-D362 WeakPolarHBondContact CA-OD1 3.42Å; G360-D362 PolarHBondContact O-N 2.79Å; D362-F364 VanDerWaalsContact C-N 3.35Å; D362-F364 HydrophobicContact CB-CD2 3.91Å; D362-F364 HydrophobicContact CB-CE2 4.18Å; D362-F364 PolarHBondContact OD1-N 2.78Å; D362-F364 WeakPolarHBondContact OD2-CD2 3.28Å; D362-Y366 PolarHBondContact OD2-OH 3.34Å; D362-R394 IonicContact OD2-CZ 3.55Å; D362-R394 IonicContact OD2-NE 2.89Å; D362-R394 PolarHBondContact OD2-NE 2.85Å; D362-R394 IonicContact OD2-NH2 3.65Å; D362-R394 PolarHBondContact OD2-NH2 2.82Å
363	G	93.3	Very high	94.9	Very high	20 Å²	20	16.5 Å²	16.5	21%	0.206	10%	0.098	C	C	.	.	S	Bend	trans	87.2	-0.3	179.8	0	0	0	0	0	114.4	F359 G360 P361	F359-G363 WeakPolarHBondContact CD1-O 3.47Å; G360-G363 PolarHBondContact O-N 3.12Å; P361-G363 VanDerWaalsContact C-N 3.29Å
364	F	96.8	Very high	94.6	Very high	39 Å²	39	17.4 Å²	17.4	17%	0.171	10%	0.102	C	C	.	.	P	Polyproline II helix	trans	-85.4	150.8	178.7	-58.8	-48	0	0	0	112.4	F359 G360 D362 Y366 R394 L395 D396 P409	F359-F364 WeakPolarHBondContact CA-O 3.4Å; F359-F364 WeakPolarHBondContact CD1-O 3.38Å; G360-F364 PolarHBondContact N-O 2.84Å; D362-F364 VanDerWaalsContact C-N 3.35Å; D362-F364 HydrophobicContact CB-CD2 3.91Å; D362-F364 HydrophobicContact CB-CE2 4.18Å; D362-F364 PolarHBondContact OD1-N 2.78Å; D362-F364 WeakPolarHBondContact OD2-CD2 3.28Å; F364-Y366 HydrophobicContact CB-CE2 4.28Å; F364-R394 HydrophobicContact CB-CG 4.01Å; F364-R394 VanDerWaalsContact CD2-NH2 3.26Å; F364-L395 WeakPolarHBondContact CA-O 3.04Å; F364-L395 WeakPolarHBondContact CB-O 3.33Å; F364-D396 HydrophobicContact CD1-CB 3.77Å; F364-D396 HydrophobicContact CE1-CB 3.76Å; F364-P409 HydrophobicContact CD1-CB 4.48Å; F364-P409 HydrophobicContact CD1-CG 3.88Å; F364-P409 HydrophobicContact CD2-CB 4.31Å; F364-P409 HydrophobicContact CD2-CG 4.15Å; F364-P409 HydrophobicContact CE1-CB 4.13Å; F364-P409 HydrophobicContact CE1-CG 3.96Å; F364-P409 HydrophobicContact CE2-CB 3.93Å; F364-P409 HydrophobicContact CE2-CG 4.22Å; F364-P409 HydrophobicContact CG-CG 3.98Å; F364-P409 HydrophobicContact CZ-CB 3.83Å; F364-P409 HydrophobicContact CZ-CG 4.13Å
365	L	98.2	Very high	94.2	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	120.6	174.9	178.6	63	0	0	0	109.4	A288 Y300 L357 F359 I367 R394 L395 V397	A288-L365 HydrophobicContact CB-CD1 4.49Å; Y300-L365 HydrophobicContact CD1-CD2 4.19Å; Y300-L365 HydrophobicContact CG-CD2 4.3Å; L357-L365 HydrophobicContact CB-CD1 4.38Å; F359-L365 HydrophobicContact CD1-CB 4.38Å; F359-L365 HydrophobicContact CD2-CD1 4.28Å; F359-L365 HydrophobicContact CE1-CB 3.86Å; F359-L365 HydrophobicContact CE1-CD1 4.44Å; F359-L365 HydrophobicContact CE2-CD1 3.91Å; F359-L365 HydrophobicContact CZ-CB 4.07Å; F359-L365 HydrophobicContact CZ-CD1 3.99Å; F359-L365 HydrophobicContact CZ-CG 4.48Å; L365-I367 HydrophobicContact CD2-CD1 4.37Å; L365-I367 HydrophobicContact CD2-CG1 4.45Å; L365-I367 HydrophobicContact CG-CG1 4.18Å; L365-R394 WeakPolarHBondContact O-CA 3.5Å; L365-L395 PolarHBondContact N-O 3.09Å; L365-L395 PolarHBondContact O-N 2.86Å; L365-V397 HydrophobicContact CB-CG1 3.79Å; L365-V397 HydrophobicContact CD2-CG1 3.96Å
366	Y	98.1	Very high	93.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	137	171.8	-65.8	-100.6	0	0	0	110.1	L358 D362 F364 V392 L393 R394 L448 I450 I468	L358-Y366 HydrophobicContact CD1-CD2 4Å; L358-Y366 HydrophobicContact CD1-CG 4.16Å; L358-Y366 PolarHBondContact N-O 3.12Å; L358-Y366 VanDerWaalsContact N-O 3.1Å; L358-Y366 PolarHBondContact O-N 2.95Å; D362-Y366 PolarHBondContact OD2-OH 3.34Å; F364-Y366 HydrophobicContact CB-CE2 4.28Å; Y366-V392 HydrophobicContact CD1-CG1 4.05Å; Y366-L393 VanDerWaalsContact CA-O 3.27Å; Y366-L393 WeakPolarHBondContact CA-O 3.42Å; Y366-R394 HydrophobicContact CD1-CB 4.21Å; Y366-R394 HydrophobicContact CD1-CG 4.12Å; Y366-R394 HydrophobicContact CE1-CB 4.1Å; Y366-R394 HydrophobicContact CE1-CG 3.68Å; Y366-R394 HydrophobicContact CE2-CG 4.29Å; Y366-R394 WeakPolarHBondContact OH-CD 3.47Å; Y366-R394 PolarHBondContact OH-NE 3.23Å; Y366-L448 HydrophobicContact CD2-CD2 4.25Å; Y366-L448 HydrophobicContact CE1-CD2 4.29Å; Y366-L448 HydrophobicContact CE2-CD2 3.71Å; Y366-I450 HydrophobicContact CD1-CD1 4.09Å; Y366-I450 HydrophobicContact CG-CD1 4.4Å; Y366-I468 HydrophobicContact CE1-CD1 3.46Å; Y366-I468 VanDerWaalsContact CE1-CD1 3.46Å; Y366-I468 WeakPolarHBondContact OH-CD1 3.46Å
367	I	98.3	Very high	93.4	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	118.2	-179.3	-48.5	176.2	0	0	0	106.9	V321 L343 L357 L365 L369 V392 L393 L395	V321-I367 HydrophobicContact CG1-CD1 4.24Å; V321-I367 HydrophobicContact CG2-CD1 4.28Å; V321-I367 HydrophobicContact CG2-CG2 4.31Å; L343-I367 HydrophobicContact CD1-CD1 3.53Å; L357-I367 HydrophobicContact CD2-CB 4.2Å; L357-I367 HydrophobicContact CD2-CD1 4.34Å; L357-I367 HydrophobicContact CD2-CG1 3.73Å; L357-I367 HydrophobicContact CD2-CG2 3.9Å; L365-I367 HydrophobicContact CD2-CD1 4.37Å; L365-I367 HydrophobicContact CD2-CG1 4.45Å; L365-I367 HydrophobicContact CG-CG1 4.18Å; I367-L369 HydrophobicContact CG2-CD2 4.01Å; I367-L369 HydrophobicContact CG2-CG 4.12Å; I367-V392 CarbonylContact O-C 3.59Å; I367-V392 WeakPolarHBondContact O-CA 3.28Å; I367-L393 HydrophobicContact CB-CB 4.11Å; I367-L393 HydrophobicContact CB-CD1 4.42Å; I367-L393 HydrophobicContact CB-CG 4.44Å; I367-L393 PolarHBondContact N-O 3.05Å; I367-L393 PolarHBondContact O-N 3.03Å; I367-L395 HydrophobicContact CD1-CD1 3.75Å; I367-L395 HydrophobicContact CD1-CG 4.4Å
368	I	97.4	Very high	92.8	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.01	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	110.7	-176.2	-55.6	-179.9	0	0	0	107.9	G355 Q356 L358 L429 P432 C435 I450	G355-I368 WeakPolarHBondContact CA-O 3.44Å; G355-I368 PolarHBondContact N-O 2.81Å; Q356-I368 HydrophobicContact CB-CB 4.3Å; Q356-I368 PolarHBondContact N-O 3.06Å; Q356-I368 PolarHBondContact O-N 2.96Å; L358-I368 HydrophobicContact CD2-CD1 3.82Å; L358-I368 HydrophobicContact CD2-CG1 4.48Å; I368-L429 HydrophobicContact CG2-CD1 3.47Å; I368-L429 VanDerWaalsContact CG2-CD1 3.47Å; I368-P432 HydrophobicContact CG2-CB 4.14Å; I368-P432 HydrophobicContact CG2-CG 4.15Å; I368-C435 HydrophobicContact CD1-CB 3.79Å; I368-C435 VanDerWaalsContact CD1-SG 3.5Å; I368-I450 HydrophobicContact CD1-CG2 3.91Å
369	L	96.4	Very high	92.3	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	141.2	-178.6	-60.9	174	0	0	0	110.1	L319 V345 I367 F388 S391 L393	L319-L369 HydrophobicContact CD1-CD2 4.03Å; L319-L369 HydrophobicContact CD2-CD2 4.12Å; V345-L369 HydrophobicContact CG2-CD1 4.04Å; I367-L369 HydrophobicContact CG2-CD2 4.01Å; I367-L369 HydrophobicContact CG2-CG 4.12Å; L369-F388 HydrophobicContact CD1-CB 3.82Å; L369-F388 WeakPolarHBondContact CD1-O 3.17Å; L369-S391 PolarHBondContact N-O 2.89Å; L369-S391 PolarHBondContact O-N 2.79Å; L369-L393 HydrophobicContact CD1-CD1 3.89Å; L369-L393 HydrophobicContact CD1-CG 4.27Å
370	G	94.4	Very high	91.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.216	C	C	.	.			trans	-84.3	174	167.7	0	0	0	0	0	111	H352 L353 G372 G390 H430	H352-G370 CarbonylContact O-C 3.52Å; H352-G370 WeakPolarHBondContact O-CA 3.05Å; L353-G370 PolarHBondContact O-N 2.93Å; G370-G372 PolarHBondContact O-N 3.09Å; G370-G390 VanDerWaalsContact C-N 3.26Å; G370-G390 PolarHBondContact O-N 3.15Å; G370-H430 CarbonylContact C-O 3.47Å; G370-H430 WeakPolarHBondContact CA-O 3.08Å
371	D	91.4	Very high	91.6	Very high	30 Å²	30	47.8 Å²	47.8	16%	0.16	25%	0.25	C	S	.	.			trans	-73.1	-6.5	-176.9	63.9	16.6	0	0	0	113.9	H352 M373 I374 H430	H352-D371 VanDerWaalsContact CB-OD1 3.29Å; H352-D371 WeakPolarHBondContact CB-OD1 3.45Å; H352-D371 IonicContact CE1-OD1 2.69Å; H352-D371 IonicContact CG-OD1 3.64Å; H352-D371 IonicContact ND1-OD1 2.74Å; H352-D371 PolarHBondContact ND1-OD1 3.28Å; H352-D371 IonicContact ND1-OD2 3.6Å; H352-D371 PolarHBondContact O-N 2.86Å; D371-M373 PolarHBondContact O-N 2.85Å; D371-M373 WeakPolarHBondContact OD1-CA 3.48Å; D371-M373 PolarHBondContact OD1-N 2.93Å; D371-I374 WeakPolarHBondContact O-CB 3.38Å; D371-I374 PolarHBondContact O-N 2.79Å; D371-H430 PolarHBondContact N-O 3.46Å; D371-H430 WeakPolarHBondContact OD2-CA 3.45Å; D371-H430 WeakPolarHBondContact OD2-CB 3.47Å; D371-H430 IonicContact OD2-CG 3.17Å; D371-H430 IonicContact OD2-ND1 3.58Å; D371-H430 PolarHBondContact OD2-ND1 3.29Å
372	G	89	Confident	91	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	13.6	-176.5	0	0	0	0	0	113.3	E347 H349 H352 G370 I374	E347-G372 WeakPolarHBondContact OE2-CA 3.34Å; H349-G372 WeakPolarHBondContact CB-O 3.46Å; H349-G372 PolarHBondContact CD2-O 3.49Å; H349-G372 VanDerWaalsContact CD2-O 3.29Å; H352-G372 PolarHBondContact O-N 2.88Å; G370-G372 PolarHBondContact O-N 3.09Å; G372-I374 PolarHBondContact O-N 3.41Å
373	M	88.2	Confident	90.4	Very high	68 Å²	68	52.9 Å²	52.9	34%	0.335	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	24.3	-164.2	-56.1	-176.8	-60.3	0	0	113.9	H349 K351 H352 D371 T375	H349-M373 HydrophobicContact CB-CB 4.45Å; H349-M373 HydrophobicContact CB-CE 3.34Å; K351-M373 HydrophobicContact CB-CE 3.86Å; K351-M373 HydrophobicContact CB-SD 4.25Å; K351-M373 HydrophobicContact CD-CE 4.42Å; K351-M373 HydrophobicContact CG-CE 4.48Å; H352-M373 HydrophobicContact CB-CG 4.16Å; H352-M373 WeakPolarHBondContact ND1-CG 3.39Å; D371-M373 PolarHBondContact O-N 2.85Å; D371-M373 WeakPolarHBondContact OD1-CA 3.48Å; D371-M373 PolarHBondContact OD1-N 2.93Å; M373-T375 PolarHBondContact O-N 3.3Å
374	I	87.1	Confident	89.6	Confident	19 Å²	19	54.9 Å²	54.9	10%	0.097	29%	0.294	C	S	.	.			trans	-74.4	124.7	177.5	-59.3	177.8	0	0	0	108	L348 D371 G372 D378 M379 L385 T389	L348-I374 HydrophobicContact CD1-CG1 4.48Å; D371-I374 WeakPolarHBondContact O-CB 3.38Å; D371-I374 PolarHBondContact O-N 2.79Å; G372-I374 PolarHBondContact O-N 3.41Å; I374-D378 HydrophobicContact CG2-CB 3.91Å; I374-M379 HydrophobicContact CG2-CG 3.73Å; I374-L385 HydrophobicContact CD1-CD2 4.49Å; I374-L385 HydrophobicContact CG2-CD1 3.98Å; I374-T389 HydrophobicContact CD1-CG2 3.77Å
375	T	87.8	Confident	88.6	Confident	68 Å²	68	54.2 Å²	54.2	42%	0.417	29%	0.292	S	S	.	.			trans	-87.3	162.6	177.7	66.6	0	0	0	0	111.1	M373 D377 D378 M379	M373-T375 PolarHBondContact O-N 3.3Å; T375-D377 PolarHBondContact O-N 2.91Å; T375-D378 WeakPolarHBondContact CB-OD2 3.18Å; T375-D378 PolarHBondContact N-OD2 3.39Å; T375-D378 WeakPolarHBondContact O-CB 3.44Å; T375-D378 PolarHBondContact O-N 3.25Å; T375-D378 VanDerWaalsContact O-N 3.16Å; T375-D378 PolarHBondContact OG1-N 3.48Å; T375-D378 PolarHBondContact OG1-OD2 2.79Å; T375-M379 PolarHBondContact O-N 2.77Å; T375-M379 VanDerWaalsContact O-N 3.13Å
376	L	88.1	Confident	87.6	Confident	117 Å²	117	54.9 Å²	54.9	61%	0.613	30%	0.297	S	S	*	.	H	α-helix	trans	-61.2	-35.3	174.4	-170.8	65.4	0	0	0	111.3	D378 M379 E380	L376-D378 VanDerWaalsContact C-N 3.34Å; L376-D378 PolarHBondContact O-N 2.65Å; L376-M379 PolarHBondContact O-N 3.31Å; L376-E380 WeakPolarHBondContact O-CG 3.49Å; L376-E380 PolarHBondContact O-N 2.85Å
377	D	88.4	Confident	87.1	Confident	107 Å²	107	59.6 Å²	59.6	57%	0.572	32%	0.322	S	S	*	.	H	α-helix	trans	-60.4	-43.6	175	-58.1	-21.8	0	0	0	110.7	T375 M379 E380 E381	T375-D377 PolarHBondContact O-N 2.91Å; D377-M379 VanDerWaalsContact C-N 3.34Å; D377-M379 PolarHBondContact O-N 2.8Å; D377-E380 PolarHBondContact O-N 2.99Å; D377-E381 WeakPolarHBondContact O-CB 3.35Å; D377-E381 WeakPolarHBondContact O-CG 3.28Å; D377-E381 PolarHBondContact O-N 3.08Å
378	D	86.2	Confident	86.8	Confident	39 Å²	39	61.1 Å²	61.1	21%	0.209	33%	0.329	C	S	.	.	H	α-helix	trans	-61.5	-42	175.6	-59.3	-55.8	0	0	0	111.5	L348 I374 T375 L376 E380 E381 M382 L385	L348-D378 HydrophobicContact CD1-CB 4.05Å; I374-D378 HydrophobicContact CG2-CB 3.91Å; T375-D378 WeakPolarHBondContact CB-OD2 3.18Å; T375-D378 PolarHBondContact N-OD2 3.39Å; T375-D378 WeakPolarHBondContact O-CB 3.44Å; T375-D378 PolarHBondContact O-N 3.25Å; T375-D378 VanDerWaalsContact O-N 3.16Å; T375-D378 PolarHBondContact OG1-N 3.48Å; T375-D378 PolarHBondContact OG1-OD2 2.79Å; L376-D378 VanDerWaalsContact C-N 3.34Å; L376-D378 PolarHBondContact O-N 2.65Å; D378-E380 VanDerWaalsContact C-N 3.34Å; D378-E380 PolarHBondContact O-N 3.24Å; D378-E381 PolarHBondContact O-N 2.87Å; D378-M382 VanDerWaalsContact O-CB 3.26Å; D378-M382 WeakPolarHBondContact O-CB 3.38Å; D378-M382 WeakPolarHBondContact O-CG 3.27Å; D378-M382 PolarHBondContact O-N 3.13Å; D378-L385 HydrophobicContact CB-CD1 4.08Å; D378-L385 VanDerWaalsContact O-CD1 3.28Å; D378-L385 WeakPolarHBondContact O-CD1 3.4Å
379	M	85.8	Confident	86.6	Confident	72 Å²	72	61.9 Å²	61.9	36%	0.355	33%	0.333	S	S	.	.	H	α-helix	trans	-65.7	-33.5	178.4	-66.5	-175.3	73.1	0	0	113.2	I374 T375 L376 D377	I374-M379 HydrophobicContact CG2-CG 3.73Å; T375-M379 PolarHBondContact O-N 2.77Å; T375-M379 VanDerWaalsContact O-N 3.13Å; L376-M379 PolarHBondContact O-N 3.31Å; D377-M379 VanDerWaalsContact C-N 3.34Å; D377-M379 PolarHBondContact O-N 2.8Å
380	E	88.2	Confident	86.4	Confident	150 Å²	150	62.2 Å²	62.2	70%	0.701	34%	0.337	S	S	*	.	H	α-helix	trans	-79.2	-33.4	177.8	-71.4	-175.7	-173.6	0	0	112.4	L376 D377 D378	L376-E380 WeakPolarHBondContact O-CG 3.49Å; L376-E380 PolarHBondContact O-N 2.85Å; D377-E380 PolarHBondContact O-N 2.99Å; D378-E380 VanDerWaalsContact C-N 3.34Å; D378-E380 PolarHBondContact O-N 3.24Å
381	E	87.2	Confident	86.3	Confident	166 Å²	166	62.5 Å²	62.5	78%	0.776	34%	0.339	S	S	*	.	H	α-helix	trans	-92.3	-23.2	-174.7	-67.5	-173.6	176.3	0	0	114.2	D377 D378	D377-E381 WeakPolarHBondContact O-CB 3.35Å; D377-E381 WeakPolarHBondContact O-CG 3.28Å; D377-E381 PolarHBondContact O-N 3.08Å; D378-E381 PolarHBondContact O-N 2.87Å
382	M	80.4	Confident	86.6	Confident	52 Å²	52	61.2 Å²	61.2	26%	0.256	33%	0.332	S	S	.	.			trans	-115.7	108.4	-173	-51.6	-173.3	96.7	0	0	112.7	I312 L348 D378 L385	I312-M382 HydrophobicContact CG2-CE 3.34Å; I312-M382 HydrophobicContact CG2-SD 4.31Å; I312-M382 WeakPolarHBondContact O-CE 2.96Å; L348-M382 HydrophobicContact CD1-SD 3.72Å; L348-M382 HydrophobicContact CD2-CE 4.35Å; L348-M382 HydrophobicContact CD2-SD 4.13Å; D378-M382 VanDerWaalsContact O-CB 3.26Å; D378-M382 WeakPolarHBondContact O-CB 3.38Å; D378-M382 WeakPolarHBondContact O-CG 3.27Å; D378-M382 PolarHBondContact O-N 3.13Å; M382-L385 HydrophobicContact CB-CD1 3.83Å; M382-L385 HydrophobicContact CB-CG 4.01Å; M382-L385 HydrophobicContact CG-CD1 4.5Å; M382-L385 HydrophobicContact SD-CD1 4.45Å
383	D	78.9	Confident	87	Confident	160 Å²	160	61.2 Å²	61.2	86%	0.856	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	140.3	170.5	-69.9	-41	0	0	0	111.8
384	G	74.6	Confident	87.4	Confident	62 Å²	62	58.5 Å²	58.5	64%	0.639	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.4	4.3	175.6	0	0	0	0	0	115
385	L	77.6	Confident	87.9	Confident	25 Å²	25	57.6 Å²	57.6	13%	0.131	31%	0.314	C	S	.	.			trans	-67.2	156.3	162.5	-65.7	-177.8	0	0	0	110.9	A346 L348 I374 D378 M382	A346-L385 HydrophobicContact CB-CD2 4.49Å; L348-L385 HydrophobicContact CD1-CD1 4.17Å; L348-L385 HydrophobicContact CD1-CD2 4.04Å; L348-L385 HydrophobicContact CD2-CD2 4.19Å; L348-L385 HydrophobicContact CG-CD2 3.94Å; I374-L385 HydrophobicContact CD1-CD2 4.49Å; I374-L385 HydrophobicContact CG2-CD1 3.98Å; D378-L385 HydrophobicContact CB-CD1 4.08Å; D378-L385 VanDerWaalsContact O-CD1 3.28Å; D378-L385 WeakPolarHBondContact O-CD1 3.4Å; M382-L385 HydrophobicContact CB-CD1 3.83Å; M382-L385 HydrophobicContact CB-CG 4.01Å; M382-L385 HydrophobicContact CG-CD1 4.5Å; M382-L385 HydrophobicContact SD-CD1 4.45Å
386	S	76.9	Confident	88.4	Confident	14 Å²	14	56 Å²	56	10%	0.098	30%	0.303	C	S	.	.			trans	-97.1	127.6	-175.8	-175.2	0	0	0	0	111	F388	S386-F388 PolarHBondContact O-N 3.46Å; S386-F388 VanDerWaalsContact OG-CB 3.25Å; S386-F388 WeakPolarHBondContact OG-CB 3.28Å; S386-F388 WeakPolarHBondContact OG-CD2 3.35Å; S386-F388 VanDerWaalsContact OG-CG 3.27Å; S386-F388 WeakPolarHBondContact OG-CG 3.48Å; S386-F388 PolarHBondContact OG-N 2.93Å
387	D	86.5	Confident	88.8	Confident	100 Å²	100	50.4 Å²	50.4	54%	0.535	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	3.8	168.9	-61.8	-31	0	0	0	113.1	P421	D387-P421 HydrophobicContact CB-CG 4.04Å
388	F	92.6	Very high	89.1	Confident	32 Å²	32	48.3 Å²	48.3	14%	0.14	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-17	-178.9	-56.6	-36.3	0	0	0	113.6	L343 V345 L369 S386 S391 L393 P421 E423 V424	L343-F388 HydrophobicContact CD2-CE2 4.03Å; V345-F388 HydrophobicContact CG2-CD2 4.25Å; L369-F388 HydrophobicContact CD1-CB 3.82Å; L369-F388 WeakPolarHBondContact CD1-O 3.17Å; S386-F388 PolarHBondContact O-N 3.46Å; S386-F388 VanDerWaalsContact OG-CB 3.25Å; S386-F388 WeakPolarHBondContact OG-CB 3.28Å; S386-F388 WeakPolarHBondContact OG-CD2 3.35Å; S386-F388 VanDerWaalsContact OG-CG 3.27Å; S386-F388 WeakPolarHBondContact OG-CG 3.48Å; S386-F388 PolarHBondContact OG-N 2.93Å; F388-S391 VanDerWaalsContact O-CB 3.32Å; F388-S391 WeakPolarHBondContact O-CB 3.27Å; F388-S391 PolarHBondContact O-N 3.02Å; F388-L393 HydrophobicContact CB-CD1 4.05Å; F388-L393 HydrophobicContact CB-CD2 4.04Å; F388-L393 HydrophobicContact CD1-CD1 4.34Å; F388-L393 HydrophobicContact CD1-CD2 3.89Å; F388-L393 HydrophobicContact CD2-CD1 4.41Å; F388-L393 HydrophobicContact CG-CD1 4.04Å; F388-L393 HydrophobicContact CG-CD2 4.19Å; F388-P421 HydrophobicContact CD1-CB 4.24Å; F388-P421 HydrophobicContact CE1-CB 3.73Å; F388-E423 HydrophobicContact CD1-CB 4.49Å; F388-E423 HydrophobicContact CE1-CB 3.91Å; F388-E423 HydrophobicContact CE1-CG 4.19Å; F388-E423 HydrophobicContact CZ-CB 4.46Å; F388-E423 HydrophobicContact CZ-CG 4.26Å; F388-V424 HydrophobicContact CD1-CG2 4.16Å
389	T	92.1	Very high	89.4	Confident	17 Å²	17	46.8 Å²	46.8	10%	0.104	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	151.7	-179.8	62.8	0	0	0	0	110.7	V345 I374 S391	V345-T389 HydrophobicContact CG1-CG2 3.83Å; I374-T389 HydrophobicContact CD1-CG2 3.77Å; T389-S391 PolarHBondContact O-N 3.07Å; T389-S391 VanDerWaalsContact O-N 3.16Å; T389-S391 PolarHBondContact O-OG 3.29Å; T389-S391 VanDerWaalsContact O-OG 3.1Å
390	G	92.3	Very high	89.7	Confident	8 Å²	8	47.4 Å²	47.4	8%	0.082	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.1	18.5	-178.2	0	0	0	0	0	114.6	G370 G428 L429	G370-G390 VanDerWaalsContact C-N 3.26Å; G370-G390 PolarHBondContact O-N 3.15Å; G390-G428 PolarHBondContact O-N 2.92Å; G390-L429 WeakPolarHBondContact CA-O 3.12Å; G390-L429 PolarHBondContact O-N 3.28Å
391	S	94.2	Very high	89.9	Confident	7 Å²	7	44.4 Å²	44.4	5%	0.049	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	158.3	-170	-56.6	0	0	0	0	114.1	L369 F388 T389 A426 H427	L369-S391 PolarHBondContact N-O 2.89Å; L369-S391 PolarHBondContact O-N 2.79Å; F388-S391 VanDerWaalsContact O-CB 3.32Å; F388-S391 WeakPolarHBondContact O-CB 3.27Å; F388-S391 PolarHBondContact O-N 3.02Å; T389-S391 PolarHBondContact O-N 3.07Å; T389-S391 VanDerWaalsContact O-N 3.16Å; T389-S391 PolarHBondContact O-OG 3.29Å; T389-S391 VanDerWaalsContact O-OG 3.1Å; S391-A426 CarbonylContact C-O 3.53Å; S391-A426 WeakPolarHBondContact CA-O 3.43Å; S391-A426 WeakPolarHBondContact CB-O 3.33Å; S391-H427 WeakPolarHBondContact OG-CB 3.37Å
392	V	96.8	Very high	90.2	Very high	2 Å²	2	39 Å²	39	1%	0.012	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	113.8	166.5	-178.2	0	0	0	0	107.7	Y366 I367 F425 A426 L429 L466	Y366-V392 HydrophobicContact CD1-CG1 4.05Å; I367-V392 CarbonylContact O-C 3.59Å; I367-V392 WeakPolarHBondContact O-CA 3.28Å; V392-F425 WeakPolarHBondContact O-CA 3.23Å; V392-F425 WeakPolarHBondContact O-CB 3.04Å; V392-F425 PolarHBondContact O-N 3.49Å; V392-A426 PolarHBondContact N-O 2.92Å; V392-A426 PolarHBondContact O-N 3.45Å; V392-L429 HydrophobicContact CG2-CD1 3.66Å; V392-L466 HydrophobicContact CB-CD2 4.4Å; V392-L466 HydrophobicContact CG1-CD2 4.17Å; V392-L466 HydrophobicContact CG2-CD2 4.29Å
393	L	97.3	Very high	90.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	150.4	174.2	-44.4	-178.9	0	0	0	110.4	L343 Y366 I367 L369 F388 E423 V424	L343-L393 HydrophobicContact CD1-CD1 3.56Å; Y366-L393 VanDerWaalsContact CA-O 3.27Å; Y366-L393 WeakPolarHBondContact CA-O 3.42Å; I367-L393 HydrophobicContact CB-CB 4.11Å; I367-L393 HydrophobicContact CB-CD1 4.42Å; I367-L393 HydrophobicContact CB-CG 4.44Å; I367-L393 PolarHBondContact N-O 3.05Å; I367-L393 PolarHBondContact O-N 3.03Å; L369-L393 HydrophobicContact CD1-CD1 3.89Å; L369-L393 HydrophobicContact CD1-CG 4.27Å; F388-L393 HydrophobicContact CB-CD1 4.05Å; F388-L393 HydrophobicContact CB-CD2 4.04Å; F388-L393 HydrophobicContact CD1-CD1 4.34Å; F388-L393 HydrophobicContact CD1-CD2 3.89Å; F388-L393 HydrophobicContact CD2-CD1 4.41Å; F388-L393 HydrophobicContact CG-CD1 4.04Å; F388-L393 HydrophobicContact CG-CD2 4.19Å; L393-E423 CarbonylContact C-O 3.54Å; L393-E423 VanDerWaalsContact CA-O 3.26Å; L393-E423 WeakPolarHBondContact CA-O 3.46Å; L393-E423 HydrophobicContact CD2-CB 4.3Å; L393-V424 HydrophobicContact CD2-CB 4.43Å; L393-V424 HydrophobicContact CD2-CG2 3.68Å
394	R	97.2	Very high	91.4	Very high	11 Å²	11	38.3 Å²	38.3	4%	0.042	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	112.5	176.3	-172	-176	179.5	-151.3	2.2	110.6	D362 F364 L365 Y366 P409 S411 N412 E423 F425	D362-R394 IonicContact OD2-CZ 3.55Å; D362-R394 IonicContact OD2-NE 2.89Å; D362-R394 PolarHBondContact OD2-NE 2.85Å; D362-R394 IonicContact OD2-NH2 3.65Å; D362-R394 PolarHBondContact OD2-NH2 2.82Å; F364-R394 HydrophobicContact CB-CG 4.01Å; F364-R394 VanDerWaalsContact CD2-NH2 3.26Å; L365-R394 WeakPolarHBondContact O-CA 3.5Å; Y366-R394 HydrophobicContact CD1-CB 4.21Å; Y366-R394 HydrophobicContact CD1-CG 4.12Å; Y366-R394 HydrophobicContact CE1-CB 4.1Å; Y366-R394 HydrophobicContact CE1-CG 3.68Å; Y366-R394 HydrophobicContact CE2-CG 4.29Å; Y366-R394 WeakPolarHBondContact OH-CD 3.47Å; Y366-R394 PolarHBondContact OH-NE 3.23Å; R394-P409 HydrophobicContact CG-CG 4.28Å; R394-P409 WeakPolarHBondContact O-CD 3.36Å; R394-S411 PolarHBondContact NH1-OG 3.06Å; R394-N412 WeakPolarHBondContact CD-OD1 3.2Å; R394-N412 PolarHBondContact O-ND2 2.84Å; R394-E423 PolarHBondContact N-O 2.97Å; R394-F425 HydrophobicContact CB-CB 3.82Å; R394-F425 HydrophobicContact CB-CD2 4.3Å; R394-F425 HydrophobicContact CB-CG 4.19Å
395	L	97.4	Very high	92.3	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	148.7	-173.5	-51.2	-177.8	0	0	0	111.8	L343 F364 L365 I367 Y406 I408 E423	L343-L395 HydrophobicContact CD1-CD1 4.03Å; L343-L395 HydrophobicContact CG-CD1 4.4Å; F364-L395 WeakPolarHBondContact CA-O 3.04Å; F364-L395 WeakPolarHBondContact CB-O 3.33Å; L365-L395 PolarHBondContact N-O 3.09Å; L365-L395 PolarHBondContact O-N 2.86Å; I367-L395 HydrophobicContact CD1-CD1 3.75Å; I367-L395 HydrophobicContact CD1-CG 4.4Å; L395-Y406 HydrophobicContact CD1-CD1 4.13Å; L395-Y406 HydrophobicContact CD1-CD2 4.37Å; L395-Y406 HydrophobicContact CD1-CE1 4.36Å; L395-Y406 HydrophobicContact CD1-CG 4.15Å; L395-Y406 HydrophobicContact CD2-CD2 3.93Å; L395-Y406 HydrophobicContact CD2-CE2 3.89Å; L395-I408 HydrophobicContact CD2-CD1 4.4Å; L395-E423 HydrophobicContact CD2-CB 3.86Å; L395-E423 HydrophobicContact CD2-CG 3.52Å
396	D	97.4	Very high	93.2	Very high	35 Å²	35	37 Å²	37	19%	0.187	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-99.6	113.3	169.2	178.2	16.2	0	0	0	110	F364 D398 Y406 S407 P409	F364-D396 HydrophobicContact CD1-CB 3.77Å; F364-D396 HydrophobicContact CE1-CB 3.76Å; D396-D398 PolarHBondContact OD1-N 3.05Å; D396-Y406 CarbonylContact O-C 3.55Å; D396-Y406 WeakPolarHBondContact O-CA 3.37Å; D396-Y406 WeakPolarHBondContact O-CB 3.3Å; D396-S407 WeakPolarHBondContact CB-O 3.01Å; D396-S407 WeakPolarHBondContact CB-OG 3.34Å; D396-S407 PolarHBondContact N-O 3.1Å; D396-S407 PolarHBondContact O-N 2.83Å; D396-S407 PolarHBondContact O-OG 3.09Å; D396-S407 PolarHBondContact OD2-OG 2.03Å; D396-P409 HydrophobicContact CB-CG 4.18Å
397	V	96.8	Very high	94.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.206	C	C	.	.			trans	-89.7	-16	-178.4	-52.9	0	0	0	0	112.1	Y300 F342 F359 L365 T399 P619	Y300-V397 HydrophobicContact CE1-CB 4.41Å; Y300-V397 HydrophobicContact CE1-CG1 4.13Å; F342-V397 HydrophobicContact CE1-CB 4.29Å; F342-V397 HydrophobicContact CE1-CG1 3.84Å; F342-V397 HydrophobicContact CZ-CG1 4.49Å; F359-V397 HydrophobicContact CE1-CG1 4.46Å; F359-V397 HydrophobicContact CE1-CG2 3.77Å; F359-V397 HydrophobicContact CZ-CG1 4.47Å; F359-V397 HydrophobicContact CZ-CG2 4.02Å; L365-V397 HydrophobicContact CB-CG1 3.79Å; L365-V397 HydrophobicContact CD2-CG1 3.96Å; V397-T399 PolarHBondContact O-N 3.01Å; V397-P619 HydrophobicContact CB-CG 4.46Å; V397-P619 HydrophobicContact CG2-CG 4.39Å; V397-P619 WeakPolarHBondContact O-CD 3.41Å; V397-P619 VanDerWaalsContact O-CG 3.3Å; V397-P619 WeakPolarHBondContact O-CG 3Å
398	D	95.4	Very high	94.5	Very high	63 Å²	63	34.3 Å²	34.3	34%	0.337	19%	0.189	S	C	.	.			trans	-83.3	51.1	-177.2	-78.3	-37.5	0	0	0	111	H290 D396 P619 T620	H290-D398 IonicContact CE1-OD1 3.58Å; H290-D398 PolarHBondContact CE1-OD1 2.92Å; H290-D398 IonicContact CE1-OD2 2.74Å; H290-D398 IonicContact NE2-OD1 3.88Å; H290-D398 PolarHBondContact NE2-OD1 3.24Å; H290-D398 IonicContact NE2-OD2 2.81Å; D396-D398 PolarHBondContact OD1-N 3.05Å; D398-P619 WeakPolarHBondContact OD1-CB 3.49Å; D398-T620 HydrophobicContact CB-CG2 3.76Å; D398-T620 WeakPolarHBondContact O-CG2 3.21Å
399	T	92.5	Very high	94.6	Very high	6 Å²	6	32.9 Å²	32.9	4%	0.037	18%	0.184	C	C	.	.			trans	-94.2	141.2	179.5	-174.1	0	0	0	0	112.3	V397 M401 T618	V397-T399 PolarHBondContact O-N 3.01Å; T399-M401 VanDerWaalsContact C-N 3.34Å; T399-M401 WeakPolarHBondContact OG1-CB 3.47Å; T399-M401 WeakPolarHBondContact OG1-CE 3.39Å; T399-M401 PolarHBondContact OG1-N 3.43Å; T399-T618 VanDerWaalsContact O-CB 3.22Å; T399-T618 WeakPolarHBondContact O-CB 3.01Å; T399-T618 VanDerWaalsContact O-CG2 3.24Å; T399-T618 WeakPolarHBondContact O-CG2 3.41Å
400	D	91.9	Very high	94.7	Very high	86 Å²	86	42 Å²	42	46%	0.46	22%	0.216	S	C	.	.			trans	-92.3	4.9	168.3	-74.7	-25.6	0	0	0	112.2	T620 K622	D400-T620 PolarHBondContact OD1-OG1 3.41Å; D400-K622 HydrophobicContact CB-CD 3.66Å; D400-K622 WeakPolarHBondContact O-CD 3.29Å; D400-K622 VanDerWaalsContact O-CE 3.25Å; D400-K622 WeakPolarHBondContact O-CE 3.32Å; D400-K622 PolarHBondContact O-NZ 2.87Å
401	M	92.4	Very high	94.7	Very high	86 Å²	86	42.5 Å²	42.5	42%	0.424	22%	0.218	S	C	.	.			trans	-80.9	138.2	176.8	-63.5	-173	-71.5	0	0	110.5	T399	T399-M401 VanDerWaalsContact C-N 3.34Å; T399-M401 WeakPolarHBondContact OG1-CB 3.47Å; T399-M401 WeakPolarHBondContact OG1-CE 3.39Å; T399-M401 PolarHBondContact OG1-N 3.43Å
402	C	92.3	Very high	94.7	Very high	54 Å²	54	42.3 Å²	42.3	37%	0.365	22%	0.217	S	C	.	.	S	Bend	trans	-101.8	-15.3	-178.5	-63	0	0	0	0	113.7	Y616 C624	C402-Y616 WeakPolarHBondContact CA-OH 3.47Å; C402-Y616 PolarHBondContact O-OH 3.33Å; C402-C624 WeakPolarHBondContact CA-SG 3.45Å; C402-C624 HydrophobicContact CB-CB 3.58Å; C402-C624 WeakPolarHBondContact CB-SG 3.5Å; C402-C624 WeakPolarHBondContact SG-CA 3.38Å; C402-C624 WeakPolarHBondContact SG-CB 3.47Å; C402-C624 CovalentContact SG-SG 2.04Å; C402-C624 PolarHBondContact SG-SG 3.41Å
403	N	92.2	Very high	94.5	Very high	139 Å²	139	42.8 Å²	42.8	74%	0.743	22%	0.22	S	C	*	.	S	Bend	trans	-89.6	-27.7	-179.3	56.8	-24.7	0	0	0	112.7
404	V	93.1	Very high	94.3	Very high	57 Å²	57	43.4 Å²	43.4	35%	0.345	22%	0.223	S	C	.	.	S	Bend	trans	-119.7	136.6	179.7	-170	0	0	0	0	108.8	Y406	V404-Y406 VanDerWaalsContact C-N 3.32Å; V404-Y406 WeakPolarHBondContact CG1-O 3.26Å; V404-Y406 PolarHBondContact O-N 3.01Å
405	P	93.9	Very high	94.1	Very high	34 Å²	34	47.6 Å²	47.6	22%	0.221	24%	0.241	C	C	.	.	S	Bend	trans	-73.8	-21.7	-172	24.2	-31.7	0	0	0	115.3	R340 F342	R340-P405 PolarHBondContact NH1-O 3.18Å; R340-P405 PolarHBondContact NH2-O 3.41Å; F342-P405 HydrophobicContact CD2-CB 4.18Å; F342-P405 HydrophobicContact CE2-CB 4.3Å; F342-P405 HydrophobicContact CG-CB 4.35Å; F342-P405 WeakPolarHBondContact CZ-O 3.41Å
406	Y	95.8	Very high	93.8	Very high	26 Å²	26	54.2 Å²	54.2	10%	0.102	28%	0.277	C	S	.	.			trans	-144.5	164.7	-179.2	55.2	-97.3	0	0	0	110.5	F342 L343 L395 D396 V404 I408 E423	F342-Y406 HydrophobicContact CB-CD1 4.46Å; F342-Y406 AromaticContact CD1-CD1 3.73Å; F342-Y406 HydrophobicContact CD1-CD1 3.73Å; F342-Y406 HydrophobicContact CD1-CG 4.35Å; F342-Y406 HydrophobicContact CE1-CD1 4.34Å; F342-Y406 HydrophobicContact CG-CD1 4.34Å; F342-Y406 WeakPolarHBondContact O-CE1 3.47Å; L343-Y406 HydrophobicContact CD2-CE1 3.9Å; L343-Y406 WeakPolarHBondContact CD2-OH 3.23Å; L343-Y406 HydrophobicContact CG-CE1 4.47Å; L395-Y406 HydrophobicContact CD1-CD1 4.13Å; L395-Y406 HydrophobicContact CD1-CD2 4.37Å; L395-Y406 HydrophobicContact CD1-CE1 4.36Å; L395-Y406 HydrophobicContact CD1-CG 4.15Å; L395-Y406 HydrophobicContact CD2-CD2 3.93Å; L395-Y406 HydrophobicContact CD2-CE2 3.89Å; D396-Y406 CarbonylContact O-C 3.55Å; D396-Y406 WeakPolarHBondContact O-CA 3.37Å; D396-Y406 WeakPolarHBondContact O-CB 3.3Å; V404-Y406 VanDerWaalsContact C-N 3.32Å; V404-Y406 WeakPolarHBondContact CG1-O 3.26Å; V404-Y406 PolarHBondContact O-N 3.01Å; Y406-I408 HydrophobicContact CD2-CD1 4.11Å; Y406-I408 HydrophobicContact CE2-CD1 3.78Å; Y406-E423 HydrophobicContact CE2-CG 3.97Å; Y406-E423 PolarHBondContact OH-OE1 3.36Å
407	S	95.8	Very high	93.5	Very high	19 Å²	19	54.4 Å²	54.4	13%	0.133	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-104.4	162	166	29.6	0	0	0	0	110.8	D396	D396-S407 WeakPolarHBondContact CB-O 3.01Å; D396-S407 WeakPolarHBondContact CB-OG 3.34Å; D396-S407 PolarHBondContact N-O 3.1Å; D396-S407 PolarHBondContact O-N 2.83Å; D396-S407 PolarHBondContact O-OG 3.09Å; D396-S407 PolarHBondContact OD2-OG 2.03Å
408	I	95.8	Very high	93.1	Very high	38 Å²	38	60.7 Å²	60.7	20%	0.195	32%	0.32	C	S	.	.			trans	-96.2	125.9	172	-54.2	-61.3	0	0	0	108.7	L395 Y406 R410 N412 F415 P422 E423	L395-I408 HydrophobicContact CD2-CD1 4.4Å; Y406-I408 HydrophobicContact CD2-CD1 4.11Å; Y406-I408 HydrophobicContact CE2-CD1 3.78Å; I408-R410 PolarHBondContact O-N 3.31Å; I408-N412 HydrophobicContact CG2-CB 4.16Å; I408-F415 HydrophobicContact CB-CD2 4.3Å; I408-F415 HydrophobicContact CG2-CD2 4.02Å; I408-P422 HydrophobicContact CB-CB 4.47Å; I408-P422 HydrophobicContact CD1-CB 4.14Å; I408-P422 HydrophobicContact CG1-CB 3.91Å; I408-P422 HydrophobicContact CG2-CB 3.92Å; I408-P422 WeakPolarHBondContact CG2-O 3.03Å; I408-E423 HydrophobicContact CD1-CG 3.85Å
409	P	94.9	Very high	92.7	Very high	3 Å²	3	64.8 Å²	64.8	2%	0.019	34%	0.341	C	S	.	.			trans	-57.6	134.3	173.9	-23.2	32.1	0	0	0	111.7	F364 R394 D396 S411 N412	F364-P409 HydrophobicContact CD1-CB 4.48Å; F364-P409 HydrophobicContact CD1-CG 3.88Å; F364-P409 HydrophobicContact CD2-CB 4.31Å; F364-P409 HydrophobicContact CD2-CG 4.15Å; F364-P409 HydrophobicContact CE1-CB 4.13Å; F364-P409 HydrophobicContact CE1-CG 3.96Å; F364-P409 HydrophobicContact CE2-CB 3.93Å; F364-P409 HydrophobicContact CE2-CG 4.22Å; F364-P409 HydrophobicContact CG-CG 3.98Å; F364-P409 HydrophobicContact CZ-CB 3.83Å; F364-P409 HydrophobicContact CZ-CG 4.13Å; R394-P409 HydrophobicContact CG-CG 4.28Å; R394-P409 WeakPolarHBondContact O-CD 3.36Å; D396-P409 HydrophobicContact CB-CG 4.18Å; P409-S411 PolarHBondContact O-N 3.41Å; P409-S411 VanDerWaalsContact O-N 3.14Å; P409-N412 WeakPolarHBondContact O-CB 3.42Å; P409-N412 PolarHBondContact O-N 2.87Å
410	R	93.1	Very high	92.5	Very high	209 Å²	209	69.1 Å²	69.1	79%	0.789	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-28.9	176.7	-72.6	-176	-107.3	-114.6	-1.7	113.8	I408 N412 F415	I408-R410 PolarHBondContact O-N 3.31Å; R410-N412 VanDerWaalsContact C-N 3.27Å; R410-N412 PolarHBondContact O-N 2.9Å; R410-F415 HydrophobicContact CG-CE1 4.29Å; R410-F415 HydrophobicContact CG-CE2 4Å; R410-F415 HydrophobicContact CG-CZ 3.89Å
411	S	92.4	Very high	92.6	Very high	18 Å²	18	66.4 Å²	66.4	13%	0.126	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	1.2	178.9	61.9	0	0	0	0	114.3	R394 P409	R394-S411 PolarHBondContact NH1-OG 3.06Å; P409-S411 PolarHBondContact O-N 3.41Å; P409-S411 VanDerWaalsContact O-N 3.14Å
412	N	94.4	Very high	92.7	Very high	2 Å²	2	63.9 Å²	63.9	1%	0.011	34%	0.338	C	S	.	.	S	Bend	trans	-69.2	145.5	174.6	-83.4	16	0	0	0	110.4	R394 I408 P409 R410 H414 F415 P422	R394-N412 WeakPolarHBondContact CD-OD1 3.2Å; R394-N412 PolarHBondContact O-ND2 2.84Å; I408-N412 HydrophobicContact CG2-CB 4.16Å; P409-N412 WeakPolarHBondContact O-CB 3.42Å; P409-N412 PolarHBondContact O-N 2.87Å; R410-N412 VanDerWaalsContact C-N 3.27Å; R410-N412 PolarHBondContact O-N 2.9Å; N412-H414 PolarHBondContact O-N 2.84Å; N412-F415 PolarHBondContact O-N 2.84Å; N412-P422 PolarHBondContact ND2-O 2.82Å
413	P	93.2	Very high	92.9	Very high	12 Å²	12	62.5 Å²	62.5	8%	0.078	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-34.5	-178.7	23.8	-33.5	0	0	0	113.2	V424 Y474 E477	P413-V424 WeakPolarHBondContact CG-O 3.39Å; P413-Y474 VanDerWaalsContact CA-O 3.29Å; P413-Y474 WeakPolarHBondContact CA-O 3.35Å; P413-E477 HydrophobicContact CB-CG 4.11Å; P413-E477 HydrophobicContact CG-CG 3.88Å
414	H	93.3	Very high	93	Very high	13 Å²	13	56.1 Å²	56.1	6%	0.06	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	26.6	-173.7	-56.1	-40.5	0	0	0	112.9	N412 N416 S417 Q420 E477	N412-H414 PolarHBondContact O-N 2.84Å; H414-N416 PolarHBondContact O-N 3.04Å; H414-N416 VanDerWaalsContact O-N 3.15Å; H414-S417 WeakPolarHBondContact O-CB 3.19Å; H414-S417 PolarHBondContact O-N 2.7Å; H414-Q420 HydrophobicContact CB-CB 4.41Å; H414-Q420 PolarHBondContact CE1-OE1 2.89Å; H414-Q420 PolarHBondContact ND1-OE1 2.92Å; H414-Q420 VanDerWaalsContact ND1-OE1 3.1Å; H414-E477 IonicContact CD2-OE1 3.56Å; H414-E477 IonicContact CE1-OE1 2.67Å; H414-E477 VanDerWaalsContact NE2-CG 3.33Å; H414-E477 WeakPolarHBondContact NE2-CG 3.38Å; H414-E477 IonicContact NE2-OE1 3.45Å; H414-E477 PolarHBondContact NE2-OE1 3.48Å
415	F	91.6	Very high	93.1	Very high	99 Å²	99	53.4 Å²	53.4	43%	0.434	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	122	178.8	-179.7	-99.2	0	0	0	110.7	I408 R410 N412 S417	I408-F415 HydrophobicContact CB-CD2 4.3Å; I408-F415 HydrophobicContact CG2-CD2 4.02Å; R410-F415 HydrophobicContact CG-CE1 4.29Å; R410-F415 HydrophobicContact CG-CE2 4Å; R410-F415 HydrophobicContact CG-CZ 3.89Å; N412-F415 PolarHBondContact O-N 2.84Å; F415-S417 PolarHBondContact O-N 2.83Å
416	N	91	Very high	93.1	Very high	140 Å²	140	51.8 Å²	51.8	75%	0.749	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	16.6	-177.8	-154.8	45.4	0	0	0	115	H414	H414-N416 PolarHBondContact O-N 3.04Å; H414-N416 VanDerWaalsContact O-N 3.15Å
417	S	90.9	Very high	92.9	Very high	39 Å²	39	56 Å²	56	27%	0.273	29%	0.286	S	S	.	.			trans	-71.6	143.2	169.5	-173.3	0	0	0	0	110.4	H414 F415 N419 Q420	H414-S417 WeakPolarHBondContact O-CB 3.19Å; H414-S417 PolarHBondContact O-N 2.7Å; F415-S417 PolarHBondContact O-N 2.83Å; S417-N419 PolarHBondContact OG-N 3Å; S417-Q420 PolarHBondContact OG-N 2.78Å
418	T	88.6	Confident	92.5	Very high	132 Å²	132	56.4 Å²	56.4	81%	0.81	29%	0.293	S	S	*	.	S	Bend	trans	-102.1	-12.8	172.4	55.5	0	0	0	0	112.8
419	N	88.2	Confident	92.3	Very high	148 Å²	148	54.7 Å²	54.7	79%	0.791	28%	0.284	S	S	*	.	S	Bend	trans	-100.3	-22	-172.9	-63.3	-8.3	0	0	0	112.6	S417	S417-N419 PolarHBondContact OG-N 3Å
420	Q	88.6	Confident	92.1	Very high	98 Å²	98	56.8 Å²	56.8	46%	0.458	29%	0.294	S	S	.	.	S	Bend	trans	-131.5	144.2	-179.5	-76.3	168.3	-23	0	0	108.7	H414 S417 P422	H414-Q420 HydrophobicContact CB-CB 4.41Å; H414-Q420 PolarHBondContact CE1-OE1 2.89Å; H414-Q420 PolarHBondContact ND1-OE1 2.92Å; H414-Q420 VanDerWaalsContact ND1-OE1 3.1Å; S417-Q420 PolarHBondContact OG-N 2.78Å; Q420-P422 VanDerWaalsContact O-CD 3.29Å; Q420-P422 WeakPolarHBondContact O-CD 3.2Å
421	P	93	Very high	92	Very high	29 Å²	29	48.7 Å²	48.7	19%	0.188	27%	0.266	C	S	.	.			trans	-59.6	119.4	-179.5	21.8	-32.7	0	0	0	111.5	D387 F388 E423 V424	D387-P421 HydrophobicContact CB-CG 4.04Å; F388-P421 HydrophobicContact CD1-CB 4.24Å; F388-P421 HydrophobicContact CE1-CB 3.73Å; P421-E423 PolarHBondContact O-N 3.47Å; P421-E423 VanDerWaalsContact O-N 3.13Å; P421-V424 HydrophobicContact CB-CG2 4.04Å; P421-V424 HydrophobicContact CG-CB 4.12Å; P421-V424 HydrophobicContact CG-CG2 3.49Å; P421-V424 VanDerWaalsContact CG-CG2 3.49Å; P421-V424 PolarHBondContact O-N 3.1Å; P421-V424 VanDerWaalsContact O-N 3.15Å
422	P	94.8	Very high	92	Very high	32 Å²	32	48.3 Å²	48.3	21%	0.208	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-20.5	-179.7	-25.8	36.3	0	0	0	114.9	I408 N412 Q420	I408-P422 HydrophobicContact CB-CB 4.47Å; I408-P422 HydrophobicContact CD1-CB 4.14Å; I408-P422 HydrophobicContact CG1-CB 3.91Å; I408-P422 HydrophobicContact CG2-CB 3.92Å; I408-P422 WeakPolarHBondContact CG2-O 3.03Å; N412-P422 PolarHBondContact ND2-O 2.82Å; Q420-P422 VanDerWaalsContact O-CD 3.29Å; Q420-P422 WeakPolarHBondContact O-CD 3.2Å
423	E	95.5	Very high	91.9	Very high	26 Å²	26	49.2 Å²	49.2	12%	0.121	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-31	177.2	-66	82.8	176.8	0	0	113.2	F388 L393 R394 L395 Y406 I408 P421 F425	F388-E423 HydrophobicContact CD1-CB 4.49Å; F388-E423 HydrophobicContact CE1-CB 3.91Å; F388-E423 HydrophobicContact CE1-CG 4.19Å; F388-E423 HydrophobicContact CZ-CB 4.46Å; F388-E423 HydrophobicContact CZ-CG 4.26Å; L393-E423 CarbonylContact C-O 3.54Å; L393-E423 VanDerWaalsContact CA-O 3.26Å; L393-E423 WeakPolarHBondContact CA-O 3.46Å; L393-E423 HydrophobicContact CD2-CB 4.3Å; R394-E423 PolarHBondContact N-O 2.97Å; L395-E423 HydrophobicContact CD2-CB 3.86Å; L395-E423 HydrophobicContact CD2-CG 3.52Å; Y406-E423 HydrophobicContact CE2-CG 3.97Å; Y406-E423 PolarHBondContact OH-OE1 3.36Å; I408-E423 HydrophobicContact CD1-CG 3.85Å; P421-E423 PolarHBondContact O-N 3.47Å; P421-E423 VanDerWaalsContact O-N 3.13Å; E423-F425 PolarHBondContact O-N 3.21Å
424	V	95.4	Very high	91.9	Very high	5 Å²	5	51.2 Å²	51.2	3%	0.03	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	123.2	-174.5	173.3	0	0	0	0	109.9	F388 L393 P413 P421	F388-V424 HydrophobicContact CD1-CG2 4.16Å; L393-V424 HydrophobicContact CD2-CB 4.43Å; L393-V424 HydrophobicContact CD2-CG2 3.68Å; P413-V424 WeakPolarHBondContact CG-O 3.39Å; P421-V424 HydrophobicContact CB-CG2 4.04Å; P421-V424 HydrophobicContact CG-CB 4.12Å; P421-V424 HydrophobicContact CG-CG2 3.49Å; P421-V424 VanDerWaalsContact CG-CG2 3.49Å; P421-V424 PolarHBondContact O-N 3.1Å; P421-V424 VanDerWaalsContact O-N 3.15Å
425	F	95.3	Very high	92	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	-36.6	176	-173.9	-97.7	0	0	0	112.2	V392 R394 E423 L466 I468 Y474 P478	V392-F425 WeakPolarHBondContact O-CA 3.23Å; V392-F425 WeakPolarHBondContact O-CB 3.04Å; V392-F425 PolarHBondContact O-N 3.49Å; R394-F425 HydrophobicContact CB-CB 3.82Å; R394-F425 HydrophobicContact CB-CD2 4.3Å; R394-F425 HydrophobicContact CB-CG 4.19Å; E423-F425 PolarHBondContact O-N 3.21Å; F425-L466 HydrophobicContact CD1-CD2 4.08Å; F425-L466 HydrophobicContact CE1-CD1 4.27Å; F425-L466 HydrophobicContact CE1-CD2 4.19Å; F425-I468 HydrophobicContact CE1-CD1 3.75Å; F425-I468 HydrophobicContact CE1-CG1 3.86Å; F425-I468 HydrophobicContact CZ-CD1 4.01Å; F425-I468 HydrophobicContact CZ-CG1 4.07Å; F425-I468 HydrophobicContact CZ-CG2 4.26Å; F425-Y474 HydrophobicContact CE2-CD2 4.04Å; F425-Y474 HydrophobicContact CE2-CE2 4.26Å; F425-Y474 HydrophobicContact CE2-CG 4.46Å; F425-Y474 HydrophobicContact CZ-CD2 4.12Å; F425-Y474 AromaticContact CZ-CE2 3.9Å; F425-Y474 HydrophobicContact CZ-CE2 3.9Å; F425-P478 HydrophobicContact CD1-CG 4.19Å; F425-P478 HydrophobicContact CE1-CG 3.67Å; F425-P478 HydrophobicContact CZ-CG 4.07Å; F425-P478 VanDerWaalsContact O-CD 3.26Å; F425-P478 WeakPolarHBondContact O-CD 3.1Å
426	A	93.4	Very high	92.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	151.3	173.8	0	0	0	0	0	110.2	S391 V392 L466 E477 P478 L480	S391-A426 CarbonylContact C-O 3.53Å; S391-A426 WeakPolarHBondContact CA-O 3.43Å; S391-A426 WeakPolarHBondContact CB-O 3.33Å; V392-A426 PolarHBondContact N-O 2.92Å; V392-A426 PolarHBondContact O-N 3.45Å; A426-L466 HydrophobicContact CB-CD1 4.08Å; A426-L466 HydrophobicContact CB-CD2 4.32Å; A426-E477 WeakPolarHBondContact CA-OE2 3.26Å; A426-P478 HydrophobicContact CB-CG 4.31Å; A426-L480 HydrophobicContact CB-CD1 3.9Å; A426-L480 HydrophobicContact CB-CG 4.5Å
427	H	91.4	Very high	92.3	Very high	114 Å²	114	40.3 Å²	40.3	53%	0.528	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	165.6	176.7	72.5	-86.3	0	0	0	113.7	S391 E477 L480	S391-H427 WeakPolarHBondContact OG-CB 3.37Å; H427-E477 IonicContact CE1-OE2 3.75Å; H427-E477 IonicContact CG-OE2 3.47Å; H427-E477 PolarHBondContact N-OE2 3.3Å; H427-E477 IonicContact ND1-OE1 3.92Å; H427-E477 IonicContact ND1-OE2 2.7Å; H427-E477 PolarHBondContact ND1-OE2 3.45Å; H427-L480 WeakPolarHBondContact O-CD1 3.18Å
428	G	88.1	Confident	92.3	Very high	28 Å²	28	38.5 Å²	38.5	29%	0.289	21%	0.214	S	C	.	.			trans	114.1	21.1	174.3	0	0	0	0	0	114.8	G390	G390-G428 PolarHBondContact O-N 2.92Å
429	L	90.9	Very high	92.2	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	19%	0.192	C	C	.	.			trans	-85.6	143.3	170.2	-63.1	177.3	0	0	0	110.2	I368 G390 V392 P432 R464 L480	I368-L429 HydrophobicContact CG2-CD1 3.47Å; I368-L429 VanDerWaalsContact CG2-CD1 3.47Å; G390-L429 WeakPolarHBondContact CA-O 3.12Å; G390-L429 PolarHBondContact O-N 3.28Å; V392-L429 HydrophobicContact CG2-CD1 3.66Å; L429-P432 HydrophobicContact CB-CG 4.45Å; L429-P432 HydrophobicContact CD1-CG 4.49Å; L429-R464 HydrophobicContact CD2-CB 4.16Å; L429-R464 HydrophobicContact CD2-CG 4.18Å; L429-L480 HydrophobicContact CD2-CD2 3.96Å
430	H	90.1	Very high	91.9	Very high	47 Å²	47	36.1 Å²	36.1	22%	0.218	18%	0.184	C	C	.	.	S	Bend	trans	-109	-77.4	175.6	-61.7	-69.3	0	0	0	111.3	H352 G370 D371 P432 D454 N456	H352-H430 WeakPolarHBondContact CB-O 3.41Å; G370-H430 CarbonylContact C-O 3.47Å; G370-H430 WeakPolarHBondContact CA-O 3.08Å; D371-H430 PolarHBondContact N-O 3.46Å; D371-H430 WeakPolarHBondContact OD2-CA 3.45Å; D371-H430 WeakPolarHBondContact OD2-CB 3.47Å; D371-H430 IonicContact OD2-CG 3.17Å; D371-H430 IonicContact OD2-ND1 3.58Å; D371-H430 PolarHBondContact OD2-ND1 3.29Å; H430-P432 VanDerWaalsContact C-CD 3.43Å; H430-P432 VanDerWaalsContact O-CD 3.29Å; H430-P432 WeakPolarHBondContact O-CD 3.46Å; H430-D454 WeakPolarHBondContact CB-OD1 3.15Å; H430-D454 IonicContact CD2-OD2 2.94Å; H430-D454 PolarHBondContact N-OD1 3.14Å; H430-D454 PolarHBondContact N-OD2 3.29Å; H430-N456 PolarHBondContact NE2-ND2 2.67Å
431	D	90.9	Very high	91.3	Very high	39 Å²	39	32.4 Å²	32.4	21%	0.209	17%	0.169	C	C	.	.	S	Bend	trans	-122.8	72.5	-179.5	-171.7	22.5	0	0	0	109.7	H352 G433 D454	H352-D431 HydrophobicContact CB-CB 4.42Å; H352-D431 VanDerWaalsContact CD2-CG 3.42Å; H352-D431 IonicContact CD2-OD1 3.6Å; H352-D431 IonicContact CD2-OD2 3.4Å; H352-D431 IonicContact NE2-OD2 2.74Å; D431-G433 PolarHBondContact O-N 3.22Å; D431-D454 PolarHBondContact N-OD1 2.95Å
432	P	92.9	Very high	90.4	Very high	10 Å²	10	36.8 Å²	36.8	7%	0.065	20%	0.195	C	C	.	.			trans	-70.6	122	-176.3	28.4	-33.5	0	0	0	110.9	I368 L429 H430 S453	I368-P432 HydrophobicContact CG2-CB 4.14Å; I368-P432 HydrophobicContact CG2-CG 4.15Å; L429-P432 HydrophobicContact CB-CG 4.45Å; L429-P432 HydrophobicContact CD1-CG 4.49Å; H430-P432 VanDerWaalsContact C-CD 3.43Å; H430-P432 VanDerWaalsContact O-CD 3.29Å; H430-P432 WeakPolarHBondContact O-CD 3.46Å; P432-S453 WeakPolarHBondContact CA-O 3.48Å
433	G	92.1	Very high	89.5	Confident	21 Å²	21	37 Å²	37	22%	0.216	19%	0.194	C	C	.	.			trans	-71.7	-171.1	164.4	0	0	0	0	0	111.7	D431 C435 S453 V492	D431-G433 PolarHBondContact O-N 3.22Å; G433-C435 PolarHBondContact O-N 3.43Å; G433-C435 VanDerWaalsContact O-N 3.09Å; G433-S453 PolarHBondContact N-O 3.3Å; G433-V492 WeakPolarHBondContact CA-O 3.45Å
434	R	94.9	Very high	88.6	Confident	54 Å²	54	46.8 Å²	46.8	20%	0.204	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-61.1	119.3	175	-172	-168.7	-174.6	-85.7	7.1	110.2	V492 G493 G494 F495 F554	R434-V492 PolarHBondContact N-O 2.76Å; R434-G493 CarbonylContact O-C 3.59Å; R434-G493 WeakPolarHBondContact O-CA 3.39Å; R434-G494 PolarHBondContact NH1-O 3.45Å; R434-G494 PolarHBondContact O-N 3.02Å; R434-F495 VanDerWaalsContact NH1-CB 3.34Å; R434-F554 HydrophobicContact CB-CD2 4.5Å
435	C	95.1	Very high	88.1	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-82.1	139.1	177.8	-52.4	0	0	0	0	111.9	Q356 I368 G433 I450 L451 C452	Q356-C435 PolarHBondContact NE2-O 3.01Å; Q356-C435 VanDerWaalsContact NE2-O 3.12Å; I368-C435 HydrophobicContact CD1-CB 3.79Å; I368-C435 VanDerWaalsContact CD1-SG 3.5Å; G433-C435 PolarHBondContact O-N 3.43Å; G433-C435 VanDerWaalsContact O-N 3.09Å; C435-I450 HydrophobicContact CB-CG2 3.87Å; C435-L451 CarbonylContact C-O 3.54Å; C435-L451 WeakPolarHBondContact CA-O 3.4Å; C435-C452 HydrophobicContact CB-CB 4.02Å; C435-C452 WeakPolarHBondContact CB-SG 3.44Å; C435-C452 VanDerWaalsContact SG-CA 3.6Å; C435-C452 WeakPolarHBondContact SG-CB 3.25Å; C435-C452 CovalentContact SG-SG 2.03Å; C435-C452 PolarHBondContact SG-SG 3.39Å
436	A	93.7	Very high	87.5	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	134.4	172.1	0	0	0	0	0	110	I450 L451 I496 Y509 F511	A436-I450 WeakPolarHBondContact O-CA 2.83Å; A436-L451 HydrophobicContact CB-CB 4.39Å; A436-L451 PolarHBondContact N-O 2.96Å; A436-L451 PolarHBondContact O-N 3.33Å; A436-I496 HydrophobicContact CB-CG1 3.87Å; A436-Y509 HydrophobicContact CB-CD1 4.33Å; A436-F511 HydrophobicContact CB-CE2 4.38Å; A436-F511 HydrophobicContact CB-CZ 4.03Å
437	V	93.4	Very high	87.3	Confident	22 Å²	22	54 Å²	54	13%	0.133	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	112.9	-173.3	-175.2	0	0	0	0	110.3	L358 R439 L448 I496	L358-V437 HydrophobicContact CD1-CG1 3.99Å; L358-V437 HydrophobicContact CD1-CG2 4.14Å; L358-V437 HydrophobicContact CD2-CG2 3.63Å; L358-V437 HydrophobicContact CG-CG2 4.29Å; V437-R439 HydrophobicContact CG1-CG 4.31Å; V437-L448 HydrophobicContact CG1-CD1 3.56Å; V437-I496 VanDerWaalsContact C-CD1 3.47Å
438	D	91.1	Very high	87.2	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	101.1	175.4	-151.2	-14.6	0	0	0	111.3	H440 P441 L448 T449 I496 R498 Y509	D438-H440 VanDerWaalsContact C-N 3.3Å; D438-H440 PolarHBondContact OD1-N 2.62Å; D438-H440 VanDerWaalsContact OD1-N 3.13Å; D438-P441 HydrophobicContact CB-CG 4.35Å; D438-L448 WeakPolarHBondContact O-CA 3.37Å; D438-L448 VanDerWaalsContact O-CD1 3.3Å; D438-L448 WeakPolarHBondContact O-CD1 2.92Å; D438-T449 PolarHBondContact N-O 3.07Å; D438-T449 PolarHBondContact O-N 2.84Å; D438-T449 VanDerWaalsContact O-N 3.15Å; D438-I496 HydrophobicContact CB-CD1 3.22Å; D438-I496 VanDerWaalsContact N-CD1 3.29Å; D438-R498 IonicContact OD1-CZ 3.31Å; D438-R498 IonicContact OD1-NE 3.96Å; D438-R498 IonicContact OD1-NH2 3.9Å; D438-R498 PolarHBondContact OD1-NH2 2.74Å; D438-R498 IonicContact OD2-NH2 3.38Å; D438-R498 PolarHBondContact OD2-NH2 2.62Å; D438-Y509 HydrophobicContact CB-CE1 4.46Å; D438-Y509 WeakPolarHBondContact CB-OH 3.41Å; D438-Y509 PolarHBondContact OD2-OH 2.89Å
439	R	86.8	Confident	87.4	Confident	93 Å²	93	47.4 Å²	47.4	35%	0.351	23%	0.231	S	C	.	.	S	Bend	trans	-78.6	-16.6	173.6	-60.4	-173.4	177.7	94.8	0.6	113.1	V437	V437-R439 HydrophobicContact CG1-CG 4.31Å
440	H	81.5	Confident	87.5	Confident	137 Å²	137	47.4 Å²	47.4	63%	0.634	23%	0.231	S	C	*	.	S	Bend	trans	-133.8	69	179	-58.1	98.8	0	0	0	110	D438 R498	D438-H440 VanDerWaalsContact C-N 3.3Å; D438-H440 PolarHBondContact OD1-N 2.62Å; D438-H440 VanDerWaalsContact OD1-N 3.13Å; H440-R498 PolarHBondContact O-NH2 3.17Å
441	P	76.5	Confident	87.6	Confident	21 Å²	21	45.4 Å²	45.4	14%	0.136	22%	0.221	C	C	.	.			trans	-55.2	147.2	178.2	-23.4	34.9	0	0	0	111.3	D438 D443 I446	D438-P441 HydrophobicContact CB-CG 4.35Å; P441-D443 PolarHBondContact O-N 3.06Å; P441-I446 HydrophobicContact CB-CB 3.86Å; P441-I446 HydrophobicContact CB-CG2 3.99Å; P441-I446 HydrophobicContact CG-CB 4.02Å; P441-I446 HydrophobicContact CG-CG2 3.75Å; P441-I446 WeakPolarHBondContact CG-O 3.23Å
442	T	74.4	Confident	87.6	Confident	120 Å²	120	43.6 Å²	43.6	74%	0.736	21%	0.212	S	C	*	.	S	Bend	trans	-61.5	-25.3	176.2	48.3	0	0	0	0	112.8
443	D	76.1	Confident	87.5	Confident	36 Å²	36	43.3 Å²	43.3	19%	0.193	21%	0.21	C	C	.	.	S	Bend	trans	-92.6	118.7	177.1	-157.5	-41.6	0	0	0	110.4	P441 N445 I446 K528	P441-D443 PolarHBondContact O-N 3.06Å; D443-N445 PolarHBondContact O-N 2.95Å; D443-N445 VanDerWaalsContact O-N 3.1Å; D443-N445 PolarHBondContact OD1-N 2.88Å; D443-I446 HydrophobicContact CB-CB 4.5Å; D443-I446 HydrophobicContact CB-CD1 3.77Å; D443-I446 HydrophobicContact CB-CG1 3.95Å; D443-I446 PolarHBondContact O-N 3.2Å; D443-K528 IonicContact OD2-NZ 3.07Å; D443-K528 PolarHBondContact OD2-NZ 3.45Å
444	R	77.6	Confident	87.3	Confident	232 Å²	232	42.3 Å²	42.3	88%	0.875	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-18.5	-176.5	-67	-176	177.9	-176.5	-0.8	113.8	I446	R444-I446 VanDerWaalsContact C-N 3.35Å
445	N	83.1	Confident	86.6	Confident	103 Å²	103	40.8 Å²	40.8	55%	0.551	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-16.9	178.9	-63.3	-21.6	0	0	0	112.5	D443 M469 K470	D443-N445 PolarHBondContact O-N 2.95Å; D443-N445 VanDerWaalsContact O-N 3.1Å; D443-N445 PolarHBondContact OD1-N 2.88Å; N445-M469 HydrophobicContact CB-CE 3.8Å; N445-K470 PolarHBondContact O-N 3.01Å
446	I	84.4	Confident	85.4	Confident	13 Å²	13	45.6 Å²	45.6	7%	0.067	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	125	-180	-54	176	0	0	0	108.2	P441 D443 R444 L448 T449 Q467 M469	P441-I446 HydrophobicContact CB-CB 3.86Å; P441-I446 HydrophobicContact CB-CG2 3.99Å; P441-I446 HydrophobicContact CG-CB 4.02Å; P441-I446 HydrophobicContact CG-CG2 3.75Å; P441-I446 WeakPolarHBondContact CG-O 3.23Å; D443-I446 HydrophobicContact CB-CB 4.5Å; D443-I446 HydrophobicContact CB-CD1 3.77Å; D443-I446 HydrophobicContact CB-CG1 3.95Å; D443-I446 PolarHBondContact O-N 3.2Å; R444-I446 VanDerWaalsContact C-N 3.35Å; I446-L448 WeakPolarHBondContact CG2-O 3.03Å; I446-T449 WeakPolarHBondContact CG2-OG1 3.39Å; I446-Q467 HydrophobicContact CD1-CG 4.38Å; I446-Q467 HydrophobicContact CG2-CB 4.31Å; I446-M469 HydrophobicContact CG1-SD 4.06Å
447	N	87.4	Confident	83.7	Confident	41 Å²	41	48.2 Å²	48.2	22%	0.219	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	-45	176.7	-168.7	42.2	0	0	0	111.5	P361 I468 K470	P361-N447 WeakPolarHBondContact CG-O 3.46Å; N447-I468 PolarHBondContact N-O 2.82Å; N447-K470 HydrophobicContact CB-CB 4.18Å
448	L	90.9	Very high	81.6	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	136.9	-176.6	-177.4	61.1	0	0	0	109.7	P361 Y366 V437 D438 I446 I450 I468	P361-L448 HydrophobicContact CG-CB 4.47Å; Y366-L448 HydrophobicContact CD2-CD2 4.25Å; Y366-L448 HydrophobicContact CE1-CD2 4.29Å; Y366-L448 HydrophobicContact CE2-CD2 3.71Å; V437-L448 HydrophobicContact CG1-CD1 3.56Å; D438-L448 WeakPolarHBondContact O-CA 3.37Å; D438-L448 VanDerWaalsContact O-CD1 3.3Å; D438-L448 WeakPolarHBondContact O-CD1 2.92Å; I446-L448 WeakPolarHBondContact CG2-O 3.03Å; L448-I450 HydrophobicContact CD2-CD1 4.08Å; L448-I450 HydrophobicContact CD2-CG1 4.14Å; L448-I450 HydrophobicContact CG-CG1 4.13Å; L448-I468 HydrophobicContact CB-CB 4.19Å; L448-I468 HydrophobicContact CB-CD1 4.24Å; L448-I468 HydrophobicContact CB-CG1 4.39Å; L448-I468 HydrophobicContact CD2-CD1 3.96Å; L448-I468 HydrophobicContact CG-CD1 4.46Å; L448-I468 PolarHBondContact N-O 2.67Å; L448-I468 PolarHBondContact O-N 3.4Å
449	T	91.8	Very high	79.8	Confident	3 Å²	3	64.1 Å²	64.1	2%	0.018	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	126.2	166.5	-59.5	0	0	0	0	109.4	D438 I446 I465 L466 Q467 Y509	D438-T449 PolarHBondContact N-O 3.07Å; D438-T449 PolarHBondContact O-N 2.84Å; D438-T449 VanDerWaalsContact O-N 3.15Å; I446-T449 WeakPolarHBondContact CG2-OG1 3.39Å; T449-I465 HydrophobicContact CG2-CD1 3.72Å; T449-I465 HydrophobicContact CG2-CG1 3.74Å; T449-L466 CarbonylContact C-O 3.58Å; T449-L466 WeakPolarHBondContact CA-O 3.41Å; T449-Q467 HydrophobicContact CG2-CG 4.11Å; T449-Y509 HydrophobicContact CG2-CE1 4.45Å
450	I	93.3	Very high	78.7	Confident	3 Å²	3	69.4 Å²	69.4	2%	0.015	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	126.5	171.8	-57.1	177.5	0	0	0	107.3	L358 Y366 I368 C435 A436 L448 I465 L466	L358-I450 HydrophobicContact CD1-CD1 4.48Å; Y366-I450 HydrophobicContact CD1-CD1 4.09Å; Y366-I450 HydrophobicContact CG-CD1 4.4Å; I368-I450 HydrophobicContact CD1-CG2 3.91Å; C435-I450 HydrophobicContact CB-CG2 3.87Å; A436-I450 WeakPolarHBondContact O-CA 2.83Å; L448-I450 HydrophobicContact CD2-CD1 4.08Å; L448-I450 HydrophobicContact CD2-CG1 4.14Å; L448-I450 HydrophobicContact CG-CG1 4.13Å; I450-I465 WeakPolarHBondContact O-CA 3.36Å; I450-L466 HydrophobicContact CB-CB 4.33Å; I450-L466 HydrophobicContact CD1-CD2 4.44Å; I450-L466 PolarHBondContact N-O 3.45Å; I450-L466 PolarHBondContact O-N 2.96Å
451	L	92.1	Very high	78.1	Confident	4 Å²	4	63.5 Å²	63.5	2%	0.021	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	111.1	179	-152.4	166.8	0	0	0	109.1	C435 A436 A463 R464 I465 Y509 F511 L521 W530	C435-L451 CarbonylContact C-O 3.54Å; C435-L451 WeakPolarHBondContact CA-O 3.4Å; A436-L451 HydrophobicContact CB-CB 4.39Å; A436-L451 PolarHBondContact N-O 2.96Å; A436-L451 PolarHBondContact O-N 3.33Å; L451-A463 HydrophobicContact CD2-CB 3.73Å; L451-R464 WeakPolarHBondContact CA-O 3.2Å; L451-I465 HydrophobicContact CD1-CD1 4.43Å; L451-I465 HydrophobicContact CG-CB 4.24Å; L451-I465 HydrophobicContact CG-CG1 4.39Å; L451-Y509 HydrophobicContact CB-CD1 4.31Å; L451-Y509 HydrophobicContact CB-CE1 4.4Å; L451-Y509 HydrophobicContact CD1-CD1 3.84Å; L451-Y509 HydrophobicContact CD1-CE1 4.13Å; L451-F511 HydrophobicContact CB-CZ 4.34Å; L451-F511 HydrophobicContact CD2-CE1 4.26Å; L451-F511 HydrophobicContact CD2-CE2 3.87Å; L451-F511 HydrophobicContact CD2-CZ 3.43Å; L451-F511 VanDerWaalsContact CD2-CZ 3.43Å; L451-F511 HydrophobicContact CG-CZ 4.34Å; L451-L521 HydrophobicContact CD1-CD1 4.27Å; L451-L521 HydrophobicContact CD2-CD1 4.41Å; L451-W530 HydrophobicContact CD1-CH2 4.13Å; L451-W530 HydrophobicContact CD1-CZ2 4.43Å; L451-W530 HydrophobicContact CD1-CZ3 4.37Å
452	C	91.6	Very high	78.1	Confident	2 Å²	2	63 Å²	63	1%	0.014	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	142.4	-179.3	-59	0	0	0	0	110.3	C435 A463 R464	C435-C452 HydrophobicContact CB-CB 4.02Å; C435-C452 WeakPolarHBondContact CB-SG 3.44Å; C435-C452 VanDerWaalsContact SG-CA 3.6Å; C435-C452 WeakPolarHBondContact SG-CB 3.25Å; C435-C452 CovalentContact SG-SG 2.03Å; C435-C452 PolarHBondContact SG-SG 3.39Å; C452-A463 CarbonylContact O-C 3.55Å; C452-A463 VanDerWaalsContact O-CA 3.26Å; C452-A463 WeakPolarHBondContact O-CA 3.35Å; C452-R464 PolarHBondContact N-O 3.1Å; C452-R464 PolarHBondContact O-N 3.42Å
453	S	89.9	Confident	78.4	Confident	3 Å²	3	57.3 Å²	57.3	2%	0.021	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	139.1	156.3	57.4	0	0	0	0	108.2	P432 G433 S462 G493	P432-S453 WeakPolarHBondContact CA-O 3.48Å; G433-S453 PolarHBondContact N-O 3.3Å; S453-S462 WeakPolarHBondContact CA-O 3.25Å; S453-G493 WeakPolarHBondContact OG-CA 3.39Å
454	D	87.4	Confident	79	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	144.6	-177.7	-168.2	5.8	0	0	0	108.8	H430 D431 S461 S462 R464	H430-D454 WeakPolarHBondContact CB-OD1 3.15Å; H430-D454 IonicContact CD2-OD2 2.94Å; H430-D454 PolarHBondContact N-OD1 3.14Å; H430-D454 PolarHBondContact N-OD2 3.29Å; D431-D454 PolarHBondContact N-OD1 2.95Å; D454-S461 CarbonylContact O-C 3.42Å; D454-S461 WeakPolarHBondContact O-CA 3.36Å; D454-S462 PolarHBondContact N-O 2.82Å; D454-S462 PolarHBondContact O-N 2.66Å; D454-R464 HydrophobicContact CB-CG 3.85Å; D454-R464 IonicContact OD2-NE 3.45Å; D454-R464 PolarHBondContact OD2-NE 3.44Å
455	S	81.4	Confident	79.4	Confident	23 Å²	23	46.6 Å²	46.6	16%	0.161	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	119.1	-179.4	-59.8	0	0	0	0	109.7
456	N	68.1	Low	79.7	Confident	100 Å²	100	41.8 Å²	41.8	54%	0.535	21%	0.213	S	C	.	.			trans	-118.5	98	173.1	-168	-9.1	0	0	0	109.1	H430	H430-N456 PolarHBondContact NE2-ND2 2.67Å
457	G	58.3	Low	79.9	Confident	55 Å²	55	43.3 Å²	43.3	57%	0.567	22%	0.22	S	C	*	.	S	Bend	trans	80.7	-178.6	177.8	0	0	0	0	0	116.2	N459	G457-N459 PolarHBondContact O-N 2.86Å
458	K	50.1	Low	79.8	Confident	206 Å²	206	41.6 Å²	41.6	90%	0.896	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	103.6	-171.1	-69.4	-179.4	-178.6	174.5	0	111.7
459	N	52.8	Low	79.5	Confident	152 Å²	152	45.1 Å²	45.1	81%	0.813	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	83	23.3	164	-52.2	-20.3	0	0	0	118.1	G457	G457-N459 PolarHBondContact O-N 2.86Å
460	R	63.5	Low	78.8	Confident	204 Å²	204	52.2 Å²	52.2	77%	0.77	26%	0.258	S	S	*	.			trans	-123.3	114	170.5	-67.4	-177.7	179.6	174.6	0.5	110.3
461	S	70.3	Confident	77.9	Confident	12 Å²	12	55.9 Å²	55.9	8%	0.084	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	126.1	169.4	46.5	0	0	0	0	108.9	D454 F486 G489	D454-S461 CarbonylContact O-C 3.42Å; D454-S461 WeakPolarHBondContact O-CA 3.36Å; S461-F486 WeakPolarHBondContact OG-CB 3.44Å; S461-G489 PolarHBondContact OG-O 3.22Å
462	S	75.8	Confident	77.5	Confident	10 Å²	10	60.8 Å²	60.8	7%	0.07	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	163.2	169.3	63.2	0	0	0	0	109.3	S453 D454	S453-S462 WeakPolarHBondContact CA-O 3.25Å; D454-S462 PolarHBondContact N-O 2.82Å; D454-S462 PolarHBondContact O-N 2.66Å
463	A	80.8	Confident	76.9	Confident	1 Å²	1	66.2 Å²	66.2	1%	0.008	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	129.4	167.7	0	0	0	0	0	108	L451 C452 F483 P485 F486	L451-A463 HydrophobicContact CD2-CB 3.73Å; C452-A463 CarbonylContact O-C 3.55Å; C452-A463 VanDerWaalsContact O-CA 3.26Å; C452-A463 WeakPolarHBondContact O-CA 3.35Å; A463-F483 HydrophobicContact CB-CB 4.18Å; A463-F483 HydrophobicContact CB-CD1 4.41Å; A463-F483 PolarHBondContact N-O 2.8Å; A463-F483 PolarHBondContact O-N 2.59Å; A463-P485 HydrophobicContact CB-CG 4.11Å; A463-F486 HydrophobicContact CB-CE2 3.55Å; A463-F486 HydrophobicContact CB-CZ 3.83Å
464	R	87.8	Confident	76.6	Confident	34 Å²	34	66.8 Å²	66.8	13%	0.128	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	127.4	172.7	-63.8	-74.2	-166.2	-171	-3.1	108.3	L429 L451 C452 D454 L480 E482	L429-R464 HydrophobicContact CD2-CB 4.16Å; L429-R464 HydrophobicContact CD2-CG 4.18Å; L451-R464 WeakPolarHBondContact CA-O 3.2Å; C452-R464 PolarHBondContact N-O 3.1Å; C452-R464 PolarHBondContact O-N 3.42Å; D454-R464 HydrophobicContact CB-CG 3.85Å; D454-R464 IonicContact OD2-NE 3.45Å; D454-R464 PolarHBondContact OD2-NE 3.44Å; R464-L480 HydrophobicContact CB-CD2 3.86Å; R464-E482 IonicContact CZ-OE2 3.61Å; R464-E482 IonicContact NH1-OE2 2.74Å; R464-E482 PolarHBondContact NH1-OE2 2.9Å; R464-E482 IonicContact NH2-OE2 3.68Å
465	I	87.6	Confident	76.3	Confident	9 Å²	9	75.7 Å²	75.7	5%	0.046	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	131.5	177	-172.7	177.9	0	0	0	110.9	T449 I450 L451 Q467 L481 W530	T449-I465 HydrophobicContact CG2-CD1 3.72Å; T449-I465 HydrophobicContact CG2-CG1 3.74Å; I450-I465 WeakPolarHBondContact O-CA 3.36Å; L451-I465 HydrophobicContact CD1-CD1 4.43Å; L451-I465 HydrophobicContact CG-CB 4.24Å; L451-I465 HydrophobicContact CG-CG1 4.39Å; I465-Q467 HydrophobicContact CD1-CG 4.09Å; I465-Q467 HydrophobicContact CG1-CG 4.11Å; I465-L481 HydrophobicContact CG2-CB 3.6Å; I465-L481 HydrophobicContact CG2-CD1 4.15Å; I465-L481 HydrophobicContact CG2-CG 4.36Å; I465-L481 PolarHBondContact N-O 3.05Å; I465-L481 PolarHBondContact O-N 3Å; I465-W530 HydrophobicContact CD1-CH2 4.4Å; I465-W530 HydrophobicContact CD1-CZ2 3.47Å; I465-W530 VanDerWaalsContact CD1-CZ2 3.47Å
466	L	89.4	Confident	76.4	Confident	3 Å²	3	78.7 Å²	78.7	2%	0.016	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	122.1	173.9	178.9	63.9	0	0	0	108.7	V392 F425 A426 T449 I450 P478 L480	V392-L466 HydrophobicContact CB-CD2 4.4Å; V392-L466 HydrophobicContact CG1-CD2 4.17Å; V392-L466 HydrophobicContact CG2-CD2 4.29Å; F425-L466 HydrophobicContact CD1-CD2 4.08Å; F425-L466 HydrophobicContact CE1-CD1 4.27Å; F425-L466 HydrophobicContact CE1-CD2 4.19Å; A426-L466 HydrophobicContact CB-CD1 4.08Å; A426-L466 HydrophobicContact CB-CD2 4.32Å; T449-L466 CarbonylContact C-O 3.58Å; T449-L466 WeakPolarHBondContact CA-O 3.41Å; I450-L466 HydrophobicContact CB-CB 4.33Å; I450-L466 HydrophobicContact CD1-CD2 4.44Å; I450-L466 PolarHBondContact N-O 3.45Å; I450-L466 PolarHBondContact O-N 2.96Å; L466-P478 HydrophobicContact CD1-CB 3.94Å; L466-P478 HydrophobicContact CD1-CG 3.7Å; L466-L480 HydrophobicContact CB-CD2 4.11Å
467	Q	87.8	Confident	77.1	Confident	45 Å²	45	76 Å²	76	21%	0.21	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	122.4	179	-68.3	-176.3	-25.1	0	0	110	I446 T449 I465 Y474	I446-Q467 HydrophobicContact CD1-CG 4.38Å; I446-Q467 HydrophobicContact CG2-CB 4.31Å; T449-Q467 HydrophobicContact CG2-CG 4.11Å; I465-Q467 HydrophobicContact CD1-CG 4.09Å; I465-Q467 HydrophobicContact CG1-CG 4.11Å; Q467-Y474 PolarHBondContact O-OH 3.11Å
468	I	86.3	Confident	78.4	Confident	4 Å²	4	74.5 Å²	74.5	2%	0.021	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	119.6	-179.9	-52.3	-174.8	0	0	0	108.5	Y366 F425 N447 L448 Y474	Y366-I468 HydrophobicContact CE1-CD1 3.46Å; Y366-I468 VanDerWaalsContact CE1-CD1 3.46Å; Y366-I468 WeakPolarHBondContact OH-CD1 3.46Å; F425-I468 HydrophobicContact CE1-CD1 3.75Å; F425-I468 HydrophobicContact CE1-CG1 3.86Å; F425-I468 HydrophobicContact CZ-CD1 4.01Å; F425-I468 HydrophobicContact CZ-CG1 4.07Å; F425-I468 HydrophobicContact CZ-CG2 4.26Å; N447-I468 PolarHBondContact N-O 2.82Å; L448-I468 HydrophobicContact CB-CB 4.19Å; L448-I468 HydrophobicContact CB-CD1 4.24Å; L448-I468 HydrophobicContact CB-CG1 4.39Å; L448-I468 HydrophobicContact CD2-CD1 3.96Å; L448-I468 HydrophobicContact CG-CD1 4.46Å; L448-I468 PolarHBondContact N-O 2.67Å; L448-I468 PolarHBondContact O-N 3.4Å; I468-Y474 HydrophobicContact CG2-CE2 4.37Å
469	M	83.4	Confident	79.6	Confident	74 Å²	74	69.5 Å²	69.5	37%	0.365	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	139.1	-178	-62	-61.5	-70.9	0	0	110.5	N445 I446 G471 K472 Y474	N445-M469 HydrophobicContact CB-CE 3.8Å; I446-M469 HydrophobicContact CG1-SD 4.06Å; M469-G471 PolarHBondContact O-N 3.36Å; M469-K472 HydrophobicContact CB-CB 3.86Å; M469-K472 HydrophobicContact CB-CD 4.11Å; M469-K472 HydrophobicContact CG-CD 4.42Å; M469-K472 PolarHBondContact O-N 2.88Å; M469-Y474 PolarHBondContact N-OH 2.8Å; M469-Y474 VanDerWaalsContact N-OH 3.1Å
470	K	78.2	Confident	80.8	Confident	152 Å²	152	63.2 Å²	63.2	66%	0.661	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	126.2	-177.6	-169.8	175.1	-177.3	175.5	0	111	N445 N447 K472	N445-K470 PolarHBondContact O-N 3.01Å; N447-K470 HydrophobicContact CB-CB 4.18Å; K470-K472 PolarHBondContact O-N 3.06Å
471	G	74.1	Confident	81.6	Confident	81 Å²	81	58.3 Å²	58.3	84%	0.835	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.1	15.3	176.2	0	0	0	0	0	114.8	M469	M469-G471 PolarHBondContact O-N 3.36Å
472	K	82.2	Confident	81.8	Confident	107 Å²	107	62.4 Å²	62.4	47%	0.465	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-86.4	127.4	175.4	-176.1	177.4	178.3	-170.6	0	109.8	M469 K470 Y474	M469-K472 HydrophobicContact CB-CB 3.86Å; M469-K472 HydrophobicContact CB-CD 4.11Å; M469-K472 HydrophobicContact CG-CD 4.42Å; M469-K472 PolarHBondContact O-N 2.88Å; K470-K472 PolarHBondContact O-N 3.06Å; K472-Y474 HydrophobicContact CB-CE2 4.15Å; K472-Y474 HydrophobicContact CD-CD1 4.44Å; K472-Y474 HydrophobicContact CD-CE1 4.02Å; K472-Y474 HydrophobicContact CD-CE2 4.18Å; K472-Y474 HydrophobicContact CG-CD2 4.35Å; K472-Y474 HydrophobicContact CG-CE2 4.16Å
473	D	79.6	Confident	81.6	Confident	115 Å²	115	64.8 Å²	64.8	62%	0.615	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-85.9	128.9	162.3	-64.9	-36.1	0	0	0	108.4
474	Y	83.2	Confident	80.9	Confident	16 Å²	16	72.8 Å²	72.8	6%	0.063	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-93.2	127.9	-179.9	-72.2	-97.8	0	0	0	108.4	P413 F425 Q467 I468 M469 K472 P478	P413-Y474 VanDerWaalsContact CA-O 3.29Å; P413-Y474 WeakPolarHBondContact CA-O 3.35Å; F425-Y474 HydrophobicContact CE2-CD2 4.04Å; F425-Y474 HydrophobicContact CE2-CE2 4.26Å; F425-Y474 HydrophobicContact CE2-CG 4.46Å; F425-Y474 HydrophobicContact CZ-CD2 4.12Å; F425-Y474 AromaticContact CZ-CE2 3.9Å; F425-Y474 HydrophobicContact CZ-CE2 3.9Å; Q467-Y474 PolarHBondContact O-OH 3.11Å; I468-Y474 HydrophobicContact CG2-CE2 4.37Å; M469-Y474 PolarHBondContact N-OH 2.8Å; M469-Y474 VanDerWaalsContact N-OH 3.1Å; K472-Y474 HydrophobicContact CB-CE2 4.15Å; K472-Y474 HydrophobicContact CD-CD1 4.44Å; K472-Y474 HydrophobicContact CD-CE1 4.02Å; K472-Y474 HydrophobicContact CD-CE2 4.18Å; K472-Y474 HydrophobicContact CG-CD2 4.35Å; K472-Y474 HydrophobicContact CG-CE2 4.16Å; Y474-P478 HydrophobicContact CD1-CB 4.38Å; Y474-P478 HydrophobicContact CD1-CG 4.2Å; Y474-P478 HydrophobicContact CE1-CB 3.85Å; Y474-P478 HydrophobicContact CE1-CG 3.93Å
475	E	81.4	Confident	79.5	Confident	187 Å²	187	71.8 Å²	71.8	87%	0.874	38%	0.381	S	S	*	.	S	Bend	trans	-97.4	-14.8	169.3	-64.4	179.5	171	0	0	111.6
476	S	83.2	Confident	78.2	Confident	85 Å²	85	72.4 Å²	72.4	59%	0.594	38%	0.384	S	S	*	.	S	Bend	trans	-146.9	156.2	177.9	60.9	0	0	0	0	109.9
477	E	84.4	Confident	76.5	Confident	44 Å²	44	76.8 Å²	76.8	21%	0.206	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-63.6	132.5	-176.2	-65.3	-176.6	-139.8	0	0	112.1	P413 H414 A426 H427 S479	P413-E477 HydrophobicContact CB-CG 4.11Å; P413-E477 HydrophobicContact CG-CG 3.88Å; H414-E477 IonicContact CD2-OE1 3.56Å; H414-E477 IonicContact CE1-OE1 2.67Å; H414-E477 VanDerWaalsContact NE2-CG 3.33Å; H414-E477 WeakPolarHBondContact NE2-CG 3.38Å; H414-E477 IonicContact NE2-OE1 3.45Å; H414-E477 PolarHBondContact NE2-OE1 3.48Å; A426-E477 WeakPolarHBondContact CA-OE2 3.26Å; H427-E477 IonicContact CE1-OE2 3.75Å; H427-E477 IonicContact CG-OE2 3.47Å; H427-E477 PolarHBondContact N-OE2 3.3Å; H427-E477 IonicContact ND1-OE1 3.92Å; H427-E477 IonicContact ND1-OE2 2.7Å; H427-E477 PolarHBondContact ND1-OE2 3.45Å; E477-S479 PolarHBondContact O-N 2.79Å
478	P	84	Confident	75.2	Confident	23 Å²	23	80 Å²	80	15%	0.149	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-63.2	129.3	167.7	24.8	-31.6	0	0	0	111	F425 A426 L466 Y474 L480	F425-P478 HydrophobicContact CD1-CG 4.19Å; F425-P478 HydrophobicContact CE1-CG 3.67Å; F425-P478 HydrophobicContact CZ-CG 4.07Å; F425-P478 VanDerWaalsContact O-CD 3.26Å; F425-P478 WeakPolarHBondContact O-CD 3.1Å; A426-P478 HydrophobicContact CB-CG 4.31Å; L466-P478 HydrophobicContact CD1-CB 3.94Å; L466-P478 HydrophobicContact CD1-CG 3.7Å; Y474-P478 HydrophobicContact CD1-CB 4.38Å; Y474-P478 HydrophobicContact CD1-CG 4.2Å; Y474-P478 HydrophobicContact CE1-CB 3.85Å; Y474-P478 HydrophobicContact CE1-CG 3.93Å; P478-L480 PolarHBondContact O-N 3.13Å
479	S	76	Confident	74.2	Confident	101 Å²	101	81.5 Å²	81.5	71%	0.706	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-66.9	130.2	173.6	-46.6	0	0	0	0	111.2	E477 L481	E477-S479 PolarHBondContact O-N 2.79Å; S479-L481 PolarHBondContact O-N 2.77Å
480	L	78.7	Confident	73.9	Confident	21 Å²	21	82 Å²	82	11%	0.11	46%	0.458	C	S	.	.			trans	-69.3	110.1	166.5	-80.1	129.4	0	0	0	109.1	A426 H427 L429 R464 L466 P478 E482	A426-L480 HydrophobicContact CB-CD1 3.9Å; A426-L480 HydrophobicContact CB-CG 4.5Å; H427-L480 WeakPolarHBondContact O-CD1 3.18Å; L429-L480 HydrophobicContact CD2-CD2 3.96Å; R464-L480 HydrophobicContact CB-CD2 3.86Å; L466-L480 HydrophobicContact CB-CD2 4.11Å; P478-L480 PolarHBondContact O-N 3.13Å; L480-E482 PolarHBondContact O-N 2.89Å
481	L	79	Confident	74.3	Confident	101 Å²	101	75.5 Å²	75.5	53%	0.529	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	123.8	180	-55.1	166.5	0	0	0	108.4	I465 S479	I465-L481 HydrophobicContact CG2-CB 3.6Å; I465-L481 HydrophobicContact CG2-CD1 4.15Å; I465-L481 HydrophobicContact CG2-CG 4.36Å; I465-L481 PolarHBondContact N-O 3.05Å; I465-L481 PolarHBondContact O-N 3Å; S479-L481 PolarHBondContact O-N 2.77Å
482	E	75.9	Confident	75.1	Confident	97 Å²	97	73.1 Å²	73.1	45%	0.453	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	124.9	174	-159.8	-179.9	139.5	0	0	110	R464 L480 K484	R464-E482 IonicContact CZ-OE2 3.61Å; R464-E482 IonicContact NH1-OE2 2.74Å; R464-E482 PolarHBondContact NH1-OE2 2.9Å; R464-E482 IonicContact NH2-OE2 3.68Å; L480-E482 PolarHBondContact O-N 2.89Å; E482-K484 WeakPolarHBondContact OE1-CE 3.48Å
483	F	69.8	Low	75.6	Confident	60 Å²	60	68 Å²	68	26%	0.263	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	132	168.8	-169.8	-126.3	0	0	0	107.2	A463 P485 L521 W530	A463-F483 HydrophobicContact CB-CB 4.18Å; A463-F483 HydrophobicContact CB-CD1 4.41Å; A463-F483 PolarHBondContact N-O 2.8Å; A463-F483 PolarHBondContact O-N 2.59Å; F483-P485 HydrophobicContact CD1-CB 3.68Å; F483-P485 VanDerWaalsContact CD1-CD 3.41Å; F483-P485 HydrophobicContact CD1-CG 3.3Å; F483-P485 HydrophobicContact CE1-CB 3.29Å; F483-P485 HydrophobicContact CE1-CG 3.49Å; F483-P485 VanDerWaalsContact CE1-CG 3.49Å; F483-P485 HydrophobicContact CG-CG 4.23Å; F483-P485 HydrophobicContact CZ-CB 3.98Å; F483-P485 WeakPolarHBondContact O-CD 3.25Å; F483-L521 HydrophobicContact CE1-CD2 4.16Å; F483-W530 HydrophobicContact CD1-CB 4.31Å; F483-W530 HydrophobicContact CE1-CB 3.57Å; F483-W530 HydrophobicContact CE1-CG 4.33Å; F483-W530 HydrophobicContact CE2-CB 3.92Å; F483-W530 HydrophobicContact CZ-CB 3.4Å; F483-W530 HydrophobicContact CZ-CG 4.4Å
484	K	67.3	Low	76.2	Confident	169 Å²	169	62.5 Å²	62.5	74%	0.735	35%	0.348	S	S	*	.			trans	-103.5	73.4	174.4	-67.5	-178	-180	174.8	0	111.3	E482	E482-K484 WeakPolarHBondContact OE1-CE 3.48Å
485	P	57.9	Low	76.7	Confident	13 Å²	13	62 Å²	62	8%	0.084	35%	0.346	C	S	.	.			trans	-94.4	-26.4	-179.9	31.4	-32.4	0	0	0	115.4	A463 F483 S487 L521	A463-P485 HydrophobicContact CB-CG 4.11Å; F483-P485 HydrophobicContact CD1-CB 3.68Å; F483-P485 VanDerWaalsContact CD1-CD 3.41Å; F483-P485 HydrophobicContact CD1-CG 3.3Å; F483-P485 HydrophobicContact CE1-CB 3.29Å; F483-P485 HydrophobicContact CE1-CG 3.49Å; F483-P485 VanDerWaalsContact CE1-CG 3.49Å; F483-P485 HydrophobicContact CG-CG 4.23Å; F483-P485 HydrophobicContact CZ-CB 3.98Å; F483-P485 WeakPolarHBondContact O-CD 3.25Å; P485-S487 PolarHBondContact O-N 3.35Å; P485-S487 VanDerWaalsContact O-N 3.09Å; P485-L521 HydrophobicContact CB-CD2 4.34Å
486	F	60.1	Low	77.3	Confident	23 Å²	23	53.4 Å²	53.4	10%	0.101	31%	0.306	C	S	.	.			trans	-89.6	104.9	-158	-49.8	-55.8	0	0	0	112.1	S461 A463 N488 L491 F511 L519 L521	S461-F486 WeakPolarHBondContact OG-CB 3.44Å; A463-F486 HydrophobicContact CB-CE2 3.55Å; A463-F486 HydrophobicContact CB-CZ 3.83Å; F486-N488 PolarHBondContact O-N 3.36Å; F486-L491 HydrophobicContact CB-CD1 4.43Å; F486-L491 HydrophobicContact CD1-CD1 3.87Å; F486-L491 HydrophobicContact CD2-CD1 3.25Å; F486-L491 HydrophobicContact CD2-CG 4.2Å; F486-L491 HydrophobicContact CE1-CD1 3.86Å; F486-L491 HydrophobicContact CE2-CD1 3.21Å; F486-L491 HydrophobicContact CG-CD1 3.56Å; F486-L491 HydrophobicContact CG-CG 4.3Å; F486-L491 HydrophobicContact CZ-CD1 3.51Å; F486-F511 HydrophobicContact CZ-CG 4.42Å; F486-L519 HydrophobicContact CD1-CD1 4.04Å; F486-L519 HydrophobicContact CD1-CD2 3.42Å; F486-L519 VanDerWaalsContact CD1-CD2 3.42Å; F486-L519 HydrophobicContact CD1-CG 4.38Å; F486-L519 HydrophobicContact CE1-CD1 3.51Å; F486-L519 HydrophobicContact CE1-CD2 3.77Å; F486-L519 HydrophobicContact CE1-CG 4.27Å; F486-L519 HydrophobicContact CG-CD2 4.44Å; F486-L521 HydrophobicContact CE1-CD1 4.12Å; F486-L521 HydrophobicContact CE1-CD2 4.33Å; F486-L521 HydrophobicContact CE1-CG 4.44Å; F486-L521 HydrophobicContact CZ-CD1 3.99Å
487	S	53.5	Low	77.9	Confident	94 Å²	94	49.5 Å²	49.5	66%	0.657	28%	0.278	S	S	*	.			trans	-70.9	-9.6	176.2	42.5	0	0	0	0	113.6	P485	P485-S487 PolarHBondContact O-N 3.35Å; P485-S487 VanDerWaalsContact O-N 3.09Å
488	N	61.7	Low	78.3	Confident	114 Å²	114	49.9 Å²	49.9	61%	0.61	28%	0.278	S	S	*	.	S	Bend	trans	-137.5	124.5	-176.6	-78.9	-31.7	0	0	0	112.7	F486	F486-N488 PolarHBondContact O-N 3.36Å
489	G	64.9	Low	78.6	Confident	35 Å²	35	48.9 Å²	48.9	36%	0.361	27%	0.272	S	S	.	.	S	Bend	trans	60.9	166.8	156.4	0	0	0	0	0	119	S461	S461-G489 PolarHBondContact OG-O 3.22Å
490	P	77.6	Confident	79.4	Confident	84 Å²	84	46.1 Å²	46.1	55%	0.545	25%	0.252	S	S	.	.			trans	-73.6	125.5	170.3	29.8	-32.1	0	0	0	110.4
491	L	86.9	Confident	80.1	Confident	15 Å²	15	45.5 Å²	45.5	8%	0.079	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	143.7	176.9	-65.4	180	0	0	0	110.9	F486 F511 D513 L519	F486-L491 HydrophobicContact CB-CD1 4.43Å; F486-L491 HydrophobicContact CD1-CD1 3.87Å; F486-L491 HydrophobicContact CD2-CD1 3.25Å; F486-L491 HydrophobicContact CD2-CG 4.2Å; F486-L491 HydrophobicContact CE1-CD1 3.86Å; F486-L491 HydrophobicContact CE2-CD1 3.21Å; F486-L491 HydrophobicContact CG-CD1 3.56Å; F486-L491 HydrophobicContact CG-CG 4.3Å; F486-L491 HydrophobicContact CZ-CD1 3.51Å; L491-F511 HydrophobicContact CD1-CB 4.11Å; L491-F511 HydrophobicContact CD1-CD1 3.97Å; L491-F511 HydrophobicContact CD1-CG 4.33Å; L491-D513 HydrophobicContact CD2-CB 4.15Å; L491-L519 HydrophobicContact CD2-CD2 4.42Å
492	V	90.2	Very high	80.7	Confident	31 Å²	31	40.8 Å²	40.8	19%	0.188	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	-29.9	170.8	176.2	0	0	0	0	110.5	G433 R434 G512 R514 I551 F554	G433-V492 WeakPolarHBondContact CA-O 3.45Å; R434-V492 PolarHBondContact N-O 2.76Å; V492-G512 PolarHBondContact N-O 3.06Å; V492-R514 HydrophobicContact CG2-CB 4.05Å; V492-I551 HydrophobicContact CB-CG2 4.42Å; V492-I551 HydrophobicContact CG1-CG2 4.22Å; V492-I551 HydrophobicContact CG2-CB 4.36Å; V492-I551 HydrophobicContact CG2-CG2 4.37Å; V492-F554 HydrophobicContact CB-CE2 4.4Å; V492-F554 HydrophobicContact CG1-CE2 4.28Å
493	G	91.4	Very high	81.4	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	147.8	-164.7	-178.7	0	0	0	0	0	111.7	R434 S453 F511 G512	R434-G493 CarbonylContact O-C 3.59Å; R434-G493 WeakPolarHBondContact O-CA 3.39Å; S453-G493 WeakPolarHBondContact OG-CA 3.39Å; G493-F511 WeakPolarHBondContact O-CA 3.35Å; G493-F511 WeakPolarHBondContact O-CD1 3.3Å; G493-G512 PolarHBondContact O-N 3.02Å
494	G	92.8	Very high	82.4	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	176.8	179.2	0	0	0	0	0	114	R434 V510	R434-G494 PolarHBondContact NH1-O 3.45Å; R434-G494 PolarHBondContact O-N 3.02Å; G494-V510 CarbonylContact C-O 3.6Å; G494-V510 WeakPolarHBondContact CA-O 3.45Å
495	F	94.7	Very high	83.5	Confident	4 Å²	4	35.8 Å²	35.8	2%	0.018	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	165.7	178	57.3	-95	0	0	0	109.7	R434 V510 F554 V562 I582	R434-F495 VanDerWaalsContact NH1-CB 3.34Å; F495-V510 HydrophobicContact CD2-CB 4.1Å; F495-V510 HydrophobicContact CD2-CG2 4.46Å; F495-V510 HydrophobicContact CE1-CB 4.12Å; F495-V510 HydrophobicContact CE1-CG1 4.03Å; F495-V510 HydrophobicContact CE2-CB 3.58Å; F495-V510 HydrophobicContact CE2-CG1 4.09Å; F495-V510 HydrophobicContact CE2-CG2 3.8Å; F495-V510 HydrophobicContact CZ-CB 3.6Å; F495-V510 HydrophobicContact CZ-CG1 3.58Å; F495-V510 HydrophobicContact CZ-CG2 4.17Å; F495-V510 PolarHBondContact N-O 2.87Å; F495-V510 PolarHBondContact O-N 3.48Å; F495-F554 HydrophobicContact CD1-CB 4.13Å; F495-F554 AromaticContact CD1-CD1 3.79Å; F495-F554 HydrophobicContact CD1-CD1 3.79Å; F495-F554 HydrophobicContact CD1-CD2 4.38Å; F495-F554 HydrophobicContact CD1-CE1 4.32Å; F495-F554 AromaticContact CD1-CG 3.83Å; F495-F554 HydrophobicContact CD1-CG 3.83Å; F495-F554 AromaticContact CE1-CD1 3.66Å; F495-F554 HydrophobicContact CE1-CD1 3.66Å; F495-F554 AromaticContact CE1-CE1 3.95Å; F495-F554 HydrophobicContact CE1-CE1 3.95Å; F495-F554 HydrophobicContact CE1-CG 4.19Å; F495-V562 HydrophobicContact CD2-CB 4.17Å; F495-V562 HydrophobicContact CD2-CG1 3.69Å; F495-V562 HydrophobicContact CD2-CG2 4.36Å; F495-V562 HydrophobicContact CE2-CB 3.9Å; F495-V562 HydrophobicContact CE2-CG1 3.82Å; F495-V562 HydrophobicContact CE2-CG2 3.61Å; F495-V562 HydrophobicContact CG-CG1 4.39Å; F495-V562 HydrophobicContact CZ-CB 4.22Å; F495-V562 HydrophobicContact CZ-CG2 3.85Å; F495-I582 HydrophobicContact CE1-CD1 4.46Å; F495-I582 HydrophobicContact CZ-CD1 3.85Å
496	I	94.1	Very high	85.1	Confident	7 Å²	7	41.5 Å²	41.5	4%	0.036	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	127.2	170.2	-55.2	-174.6	0	0	0	106.8	A436 V437 D438 R498 Y509	A436-I496 HydrophobicContact CB-CG1 3.87Å; V437-I496 VanDerWaalsContact C-CD1 3.47Å; D438-I496 HydrophobicContact CB-CD1 3.22Å; D438-I496 VanDerWaalsContact N-CD1 3.29Å; I496-R498 HydrophobicContact CG2-CG 4.25Å; I496-R498 PolarHBondContact O-N 2.95Å; I496-Y509 HydrophobicContact CD1-CD1 3.59Å; I496-Y509 HydrophobicContact CD1-CE1 3.2Å; I496-Y509 HydrophobicContact CD1-CE2 4.2Å; I496-Y509 HydrophobicContact CD1-CG 4.26Å; I496-Y509 HydrophobicContact CG1-CD1 3.68Å; I496-Y509 HydrophobicContact CG1-CE1 3.87Å; I496-Y509 HydrophobicContact CG1-CG 4.13Å
497	Y	94.6	Very high	86.5	Confident	3 Å²	3	41.3 Å²	41.3	1%	0.012	23%	0.226	C	C	.	.			trans	-80.3	114.9	178.4	-175.6	-94.4	0	0	0	109.9	G499 Q501 S502 L505 G507 S508 E561 V562	Y497-G499 WeakPolarHBondContact CE1-O 3.29Å; Y497-Q501 PolarHBondContact OH-N 2.94Å; Y497-S502 WeakPolarHBondContact CE1-O 3.32Å; Y497-S502 WeakPolarHBondContact OH-CB 3.45Å; Y497-S502 PolarHBondContact OH-N 2.86Å; Y497-L505 HydrophobicContact CD1-CB 3.61Å; Y497-L505 HydrophobicContact CD1-CD2 4.12Å; Y497-L505 HydrophobicContact CD1-CG 3.88Å; Y497-L505 HydrophobicContact CD2-CD2 3.79Å; Y497-L505 HydrophobicContact CD2-CG 4.36Å; Y497-L505 HydrophobicContact CE1-CB 4.06Å; Y497-L505 HydrophobicContact CE2-CD2 4.36Å; Y497-L505 HydrophobicContact CG-CB 3.98Å; Y497-L505 HydrophobicContact CG-CD2 3.64Å; Y497-L505 HydrophobicContact CG-CG 3.7Å; Y497-G507 PolarHBondContact O-N 3.14Å; Y497-S508 PolarHBondContact N-O 3.43Å; Y497-S508 VanDerWaalsContact N-O 3.17Å; Y497-E561 WeakPolarHBondContact CE2-OE2 3.47Å; Y497-E561 PolarHBondContact OH-OE1 2.9Å; Y497-E561 PolarHBondContact OH-OE2 2.93Å; Y497-V562 HydrophobicContact CD2-CB 4.42Å; Y497-V562 HydrophobicContact CD2-CG1 3.87Å; Y497-V562 HydrophobicContact CD2-CG2 3.71Å; Y497-V562 HydrophobicContact CE2-CG2 4.07Å
498	R	92.6	Very high	88.3	Confident	53 Å²	53	37 Å²	37	20%	0.2	20%	0.196	C	C	.	.			trans	-119.4	14	173.2	-63.2	-61.9	-175.9	-172.7	1.4	112.4	D438 H440 I496 Y506	D438-R498 IonicContact OD1-CZ 3.31Å; D438-R498 IonicContact OD1-NE 3.96Å; D438-R498 IonicContact OD1-NH2 3.9Å; D438-R498 PolarHBondContact OD1-NH2 2.74Å; D438-R498 IonicContact OD2-NH2 3.38Å; D438-R498 PolarHBondContact OD2-NH2 2.62Å; H440-R498 PolarHBondContact O-NH2 3.17Å; I496-R498 HydrophobicContact CG2-CG 4.25Å; I496-R498 PolarHBondContact O-N 2.95Å; R498-Y506 HydrophobicContact CB-CE2 4.4Å
499	G	91.9	Very high	89.7	Confident	2 Å²	2	32.4 Å²	32.4	2%	0.021	17%	0.17	C	C	.	.			trans	-66.6	167.5	175.8	0	0	0	0	0	113.3	Y497 L559 G560	Y497-G499 WeakPolarHBondContact CE1-O 3.29Å; G499-L559 WeakPolarHBondContact CA-O 3.27Å; G499-G560 WeakPolarHBondContact CA-O 3.34Å; G499-G560 PolarHBondContact N-O 3.43Å
500	C	92	Very high	91	Very high	42 Å²	42	30.8 Å²	30.8	28%	0.284	15%	0.153	S	C	.	.	S	Bend	trans	-98.2	-29.6	-175.4	-179.4	0	0	0	0	112.3	S502 E561 C594	C500-S502 VanDerWaalsContact C-N 3.29Å; C500-S502 PolarHBondContact O-N 3.41Å; C500-E561 PolarHBondContact N-OE1 2.95Å; C500-C594 HydrophobicContact CB-CB 3.79Å; C500-C594 WeakPolarHBondContact CB-SG 3.37Å; C500-C594 WeakPolarHBondContact SG-CA 3.36Å; C500-C594 WeakPolarHBondContact SG-CB 3.12Å; C500-C594 CovalentContact SG-SG 2.03Å; C500-C594 PolarHBondContact SG-SG 3.32Å
501	Q	92.8	Very high	91.7	Very high	8 Å²	8	26.8 Å²	26.8	4%	0.037	13%	0.127	C	C	.	.	S	Bend	trans	-63.4	-32.6	-174.1	-166.2	-82.8	-31.2	0	0	113.2	Y497 E561 D584 R587 P588	Y497-Q501 PolarHBondContact OH-N 2.94Å; Q501-E561 WeakPolarHBondContact CB-OE1 3.15Å; Q501-E561 WeakPolarHBondContact CB-OE2 3.39Å; Q501-E561 PolarHBondContact N-OE1 3.47Å; Q501-D584 PolarHBondContact NE2-O 3.03Å; Q501-R587 PolarHBondContact NE2-O 2.92Å; Q501-R587 WeakPolarHBondContact O-CB 3.35Å; Q501-R587 WeakPolarHBondContact O-CD 3.44Å; Q501-P588 PolarHBondContact NE2-O 3Å
502	S	92.4	Very high	91.8	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.014	12%	0.124	C	C	.	.			trans	-122.1	93.8	-175	171.6	0	0	0	0	113.3	F217 Y497 C500 R504 L505 Y506	F217-S502 WeakPolarHBondContact CE1-OG 3.48Å; Y497-S502 WeakPolarHBondContact CE1-O 3.32Å; Y497-S502 WeakPolarHBondContact OH-CB 3.45Å; Y497-S502 PolarHBondContact OH-N 2.86Å; C500-S502 VanDerWaalsContact C-N 3.29Å; C500-S502 PolarHBondContact O-N 3.41Å; S502-R504 VanDerWaalsContact C-N 3.31Å; S502-R504 PolarHBondContact O-N 2.99Å; S502-L505 PolarHBondContact O-N 3.04Å; S502-L505 VanDerWaalsContact OG-CB 3.25Å; S502-L505 WeakPolarHBondContact OG-CB 3.43Å; S502-L505 PolarHBondContact OG-N 2.88Å; S502-Y506 PolarHBondContact O-N 2.89Å
503	E	90.4	Very high	91.7	Very high	129 Å²	129	25 Å²	25	60%	0.603	12%	0.117	S	C	*	.	G	3₁₀ helix	trans	-56.2	-40.8	175.5	-69.8	175.2	-169.2	0	0	113.7	L505 Y506 R587	E503-L505 PolarHBondContact O-N 3.02Å; E503-Y506 VanDerWaalsContact O-CB 3.3Å; E503-Y506 WeakPolarHBondContact O-CB 3.27Å; E503-Y506 PolarHBondContact O-N 3.26Å; E503-R587 IonicContact OE1-CZ 3.24Å; E503-R587 VanDerWaalsContact OE1-CZ 3.31Å; E503-R587 IonicContact OE1-NE 2.92Å; E503-R587 IonicContact OE1-NH1 3.17Å; E503-R587 PolarHBondContact OE1-NH1 3.5Å; E503-R587 IonicContact OE1-NH2 3.75Å
504	R	90.1	Very high	91.5	Very high	88 Å²	88	29.5 Å²	29.5	33%	0.332	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	-71.4	-18.2	-175.6	67.7	-179.2	175.3	103.2	-2.1	114.3	N215 C216 F217 S502 D584	N215-R504 PolarHBondContact O-NH1 2.83Å; N215-R504 PolarHBondContact O-NH2 3.36Å; C216-R504 PolarHBondContact O-NH2 2.65Å; F217-R504 VanDerWaalsContact CD1-NH2 3.31Å; F217-R504 HydrophobicContact CE1-CG 4.48Å; F217-R504 VanDerWaalsContact CE1-NH2 3.26Å; F217-R504 VanDerWaalsContact CE2-CZ 3.42Å; F217-R504 HydrophobicContact CZ-CG 4.12Å; S502-R504 VanDerWaalsContact C-N 3.31Å; S502-R504 PolarHBondContact O-N 2.99Å; R504-D584 WeakPolarHBondContact CD-OD2 3.32Å; R504-D584 IonicContact CZ-OD1 3.57Å; R504-D584 IonicContact CZ-OD2 3.69Å; R504-D584 IonicContact NE-OD1 3.04Å; R504-D584 PolarHBondContact NE-OD1 3.2Å; R504-D584 IonicContact NE-OD2 3.66Å; R504-D584 PolarHBondContact NE-OD2 2.99Å; R504-D584 IonicContact NH2-OD1 3.62Å; R504-D584 PolarHBondContact NH2-OD1 3.01Å; R504-D584 IonicContact NH2-OD2 3.53Å
505	L	90.9	Very high	91.1	Very high	5 Å²	5	34.8 Å²	34.8	3%	0.026	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-95.5	-15.3	178.2	-162.6	60.1	0	0	0	111.3	F217 Y497 S502 E503 G507 S508 V510 T520 L535	F217-L505 HydrophobicContact CD1-CD2 4.47Å; F217-L505 HydrophobicContact CE1-CB 3.98Å; F217-L505 HydrophobicContact CE1-CD2 3.85Å; F217-L505 HydrophobicContact CE1-CG 4.32Å; F217-L505 HydrophobicContact CE2-CD1 4.03Å; F217-L505 HydrophobicContact CZ-CB 3.73Å; F217-L505 HydrophobicContact CZ-CD1 3.7Å; F217-L505 HydrophobicContact CZ-CD2 3.87Å; F217-L505 HydrophobicContact CZ-CG 3.96Å; Y497-L505 HydrophobicContact CD1-CB 3.61Å; Y497-L505 HydrophobicContact CD1-CD2 4.12Å; Y497-L505 HydrophobicContact CD1-CG 3.88Å; Y497-L505 HydrophobicContact CD2-CD2 3.79Å; Y497-L505 HydrophobicContact CD2-CG 4.36Å; Y497-L505 HydrophobicContact CE1-CB 4.06Å; Y497-L505 HydrophobicContact CE2-CD2 4.36Å; Y497-L505 HydrophobicContact CG-CB 3.98Å; Y497-L505 HydrophobicContact CG-CD2 3.64Å; Y497-L505 HydrophobicContact CG-CG 3.7Å; S502-L505 PolarHBondContact O-N 3.04Å; S502-L505 VanDerWaalsContact OG-CB 3.25Å; S502-L505 WeakPolarHBondContact OG-CB 3.43Å; S502-L505 PolarHBondContact OG-N 2.88Å; E503-L505 PolarHBondContact O-N 3.02Å; L505-G507 PolarHBondContact O-N 2.86Å; L505-S508 VanDerWaalsContact O-CB 3.23Å; L505-S508 WeakPolarHBondContact O-CB 3.45Å; L505-S508 PolarHBondContact O-N 3.42Å; L505-S508 PolarHBondContact O-OG 3.45Å; L505-V510 HydrophobicContact CD1-CG2 3.8Å; L505-V510 HydrophobicContact CD2-CG2 4.45Å; L505-V510 HydrophobicContact CG-CG2 4.33Å; L505-T520 HydrophobicContact CD1-CG2 4.27Å; L505-L535 HydrophobicContact CD1-CD1 3.65Å
506	Y	91.9	Very high	90.5	Very high	132 Å²	132	35.1 Å²	35.1	52%	0.518	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	123.5	-176.1	-170.9	-95.4	0	0	0	112.2	R498 S502 E503 S508	R498-Y506 HydrophobicContact CB-CE2 4.4Å; S502-Y506 PolarHBondContact O-N 2.89Å; E503-Y506 VanDerWaalsContact O-CB 3.3Å; E503-Y506 WeakPolarHBondContact O-CB 3.27Å; E503-Y506 PolarHBondContact O-N 3.26Å; Y506-S508 VanDerWaalsContact C-N 3.26Å; Y506-S508 PolarHBondContact O-N 3.04Å
507	G	89.4	Confident	90.1	Very high	20 Å²	20	39.2 Å²	39.2	21%	0.206	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	6.6	-178.3	0	0	0	0	0	115.7	Y497 L505	Y497-G507 PolarHBondContact O-N 3.14Å; L505-G507 PolarHBondContact O-N 2.86Å
508	S	90.7	Very high	89.8	Confident	4 Å²	4	39.6 Å²	39.6	3%	0.028	19%	0.19	C	C	.	.			trans	-82.1	139.2	172.2	-60.1	0	0	0	0	110.6	Y497 L505 Y506 Q522	Y497-S508 PolarHBondContact N-O 3.43Å; Y497-S508 VanDerWaalsContact N-O 3.17Å; L505-S508 VanDerWaalsContact O-CB 3.23Å; L505-S508 WeakPolarHBondContact O-CB 3.45Å; L505-S508 PolarHBondContact O-N 3.42Å; L505-S508 PolarHBondContact O-OG 3.45Å; Y506-S508 VanDerWaalsContact C-N 3.26Å; Y506-S508 PolarHBondContact O-N 3.04Å; S508-Q522 PolarHBondContact OG-NE2 3.41Å
509	Y	91.9	Very high	89.6	Confident	17 Å²	17	38.3 Å²	38.3	7%	0.067	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	115.3	173	-66	-112	0	0	0	107.4	A436 D438 T449 L451 I496 T520 L521 W530	A436-Y509 HydrophobicContact CB-CD1 4.33Å; D438-Y509 HydrophobicContact CB-CE1 4.46Å; D438-Y509 WeakPolarHBondContact CB-OH 3.41Å; D438-Y509 PolarHBondContact OD2-OH 2.89Å; T449-Y509 HydrophobicContact CG2-CE1 4.45Å; L451-Y509 HydrophobicContact CB-CD1 4.31Å; L451-Y509 HydrophobicContact CB-CE1 4.4Å; L451-Y509 HydrophobicContact CD1-CD1 3.84Å; L451-Y509 HydrophobicContact CD1-CE1 4.13Å; I496-Y509 HydrophobicContact CD1-CD1 3.59Å; I496-Y509 HydrophobicContact CD1-CE1 3.2Å; I496-Y509 HydrophobicContact CD1-CE2 4.2Å; I496-Y509 HydrophobicContact CD1-CG 4.26Å; I496-Y509 HydrophobicContact CG1-CD1 3.68Å; I496-Y509 HydrophobicContact CG1-CE1 3.87Å; I496-Y509 HydrophobicContact CG1-CG 4.13Å; Y509-T520 CarbonylContact O-C 3.58Å; Y509-T520 WeakPolarHBondContact O-CA 3.49Å; Y509-L521 WeakPolarHBondContact CB-O 3.38Å; Y509-L521 PolarHBondContact N-O 3.4Å; Y509-L521 PolarHBondContact O-N 2.74Å; Y509-W530 HydrophobicContact CD1-CH2 4.45Å; Y509-W530 HydrophobicContact CD2-CH2 4.09Å; Y509-W530 AromaticContact CD2-CZ3 3.81Å; Y509-W530 HydrophobicContact CD2-CZ3 3.81Å; Y509-W530 HydrophobicContact CE1-CH2 4.1Å; Y509-W530 AromaticContact CE2-CH2 3.79Å; Y509-W530 HydrophobicContact CE2-CH2 3.79Å; Y509-W530 AromaticContact CE2-CZ3 3.95Å; Y509-W530 HydrophobicContact CE2-CZ3 3.95Å; Y509-W530 HydrophobicContact CG-CH2 4.45Å; Y509-W530 HydrophobicContact CG-CZ3 4.16Å; Y509-W530 AromaticContact CZ-CH2 3.78Å
510	V	92.9	Very high	89.5	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	129.4	-176.1	-176.7	0	0	0	0	108.9	G494 F495 L505 F518 L519 T520 L535	G494-V510 CarbonylContact C-O 3.6Å; G494-V510 WeakPolarHBondContact CA-O 3.45Å; F495-V510 HydrophobicContact CD2-CB 4.1Å; F495-V510 HydrophobicContact CD2-CG2 4.46Å; F495-V510 HydrophobicContact CE1-CB 4.12Å; F495-V510 HydrophobicContact CE1-CG1 4.03Å; F495-V510 HydrophobicContact CE2-CB 3.58Å; F495-V510 HydrophobicContact CE2-CG1 4.09Å; F495-V510 HydrophobicContact CE2-CG2 3.8Å; F495-V510 HydrophobicContact CZ-CB 3.6Å; F495-V510 HydrophobicContact CZ-CG1 3.58Å; F495-V510 HydrophobicContact CZ-CG2 4.17Å; F495-V510 PolarHBondContact N-O 2.87Å; F495-V510 PolarHBondContact O-N 3.48Å; L505-V510 HydrophobicContact CD1-CG2 3.8Å; L505-V510 HydrophobicContact CD2-CG2 4.45Å; L505-V510 HydrophobicContact CG-CG2 4.33Å; V510-F518 HydrophobicContact CG1-CD1 3.84Å; V510-L519 WeakPolarHBondContact CA-O 3.44Å; V510-T520 HydrophobicContact CG2-CG2 4.08Å; V510-L535 HydrophobicContact CG1-CD1 4.25Å; V510-L535 HydrophobicContact CG2-CD1 4.27Å
511	F	91.4	Very high	89.2	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	147	174.1	-75.4	-98.6	0	0	0	110	A436 L451 F486 L491 G493 F518 L519 L521	A436-F511 HydrophobicContact CB-CE2 4.38Å; A436-F511 HydrophobicContact CB-CZ 4.03Å; L451-F511 HydrophobicContact CB-CZ 4.34Å; L451-F511 HydrophobicContact CD2-CE1 4.26Å; L451-F511 HydrophobicContact CD2-CE2 3.87Å; L451-F511 HydrophobicContact CD2-CZ 3.43Å; L451-F511 VanDerWaalsContact CD2-CZ 3.43Å; L451-F511 HydrophobicContact CG-CZ 4.34Å; F486-F511 HydrophobicContact CZ-CG 4.42Å; L491-F511 HydrophobicContact CD1-CB 4.11Å; L491-F511 HydrophobicContact CD1-CD1 3.97Å; L491-F511 HydrophobicContact CD1-CG 4.33Å; G493-F511 WeakPolarHBondContact O-CA 3.35Å; G493-F511 WeakPolarHBondContact O-CD1 3.3Å; F511-F518 CarbonylContact O-C 3.53Å; F511-F518 VanDerWaalsContact O-CA 3.29Å; F511-F518 WeakPolarHBondContact O-CA 3.48Å; F511-L519 HydrophobicContact CB-CD1 3.87Å; F511-L519 HydrophobicContact CB-CG 4.04Å; F511-L519 PolarHBondContact N-O 2.88Å; F511-L519 PolarHBondContact O-N 2.96Å; F511-L521 HydrophobicContact CD2-CD1 4.14Å; F511-L521 HydrophobicContact CE2-CD1 4.08Å
512	G	89.6	Confident	88.7	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	139.7	179.2	0	0	0	0	0	111.8	V492 G493 N517	V492-G512 PolarHBondContact N-O 3.06Å; G493-G512 PolarHBondContact O-N 3.02Å; G512-N517 WeakPolarHBondContact CA-O 3.09Å
513	D	88.1	Confident	88.1	Confident	8 Å²	8	42.6 Å²	42.6	4%	0.043	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	174.5	169	80	4.2	0	0	0	111.8	L491 N515 G516 N517	L491-D513 HydrophobicContact CD2-CB 4.15Å; D513-N515 PolarHBondContact O-N 3.41Å; D513-N515 VanDerWaalsContact OD1-C 3.29Å; D513-N515 WeakPolarHBondContact OD1-CA 3.26Å; D513-N515 PolarHBondContact OD1-N 3.21Å; D513-G516 PolarHBondContact O-N 3.15Å; D513-G516 VanDerWaalsContact O-N 3.09Å; D513-G516 PolarHBondContact OD1-N 3.31Å; D513-N517 PolarHBondContact N-O 3.43Å; D513-N517 PolarHBondContact OD1-N 2.86Å; D513-N517 WeakPolarHBondContact OD2-CB 3.44Å; D513-N517 PolarHBondContact OD2-ND2 2.81Å
514	R	85.6	Confident	87.5	Confident	95 Å²	95	37.5 Å²	37.5	36%	0.358	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-24.3	-179.4	-167.5	177.7	179.4	179.5	1.2	113.5	V492 G516 H550 I551 S570	V492-R514 HydrophobicContact CG2-CB 4.05Å; R514-G516 VanDerWaalsContact C-N 3.34Å; R514-H550 HydrophobicContact CG-CB 3.87Å; R514-H550 CarbonylContact O-C 3.51Å; R514-H550 VanDerWaalsContact O-CA 3.25Å; R514-H550 WeakPolarHBondContact O-CA 3.25Å; R514-I551 PolarHBondContact O-N 3.45Å; R514-S570 PolarHBondContact NH2-OG 2.96Å
515	N	84.6	Confident	86.7	Confident	110 Å²	110	38.5 Å²	38.5	59%	0.588	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-2.5	-179.7	-59.1	-31.4	0	0	0	112.3	D513	D513-N515 PolarHBondContact O-N 3.41Å; D513-N515 VanDerWaalsContact OD1-C 3.29Å; D513-N515 WeakPolarHBondContact OD1-CA 3.26Å; D513-N515 PolarHBondContact OD1-N 3.21Å
516	G	82.8	Confident	86.1	Confident	11 Å²	11	44.5 Å²	44.5	11%	0.113	23%	0.233	C	C	.	.			trans	66.2	38.5	-175.4	0	0	0	0	0	114.9	D513 R514 F518 I551	D513-G516 PolarHBondContact O-N 3.15Å; D513-G516 VanDerWaalsContact O-N 3.09Å; D513-G516 PolarHBondContact OD1-N 3.31Å; R514-G516 VanDerWaalsContact C-N 3.34Å; G516-F518 WeakPolarHBondContact O-CD2 3.35Å; G516-F518 WeakPolarHBondContact O-CE2 3.49Å; G516-I551 VanDerWaalsContact CA-CD1 3.45Å
517	N	86.2	Confident	85.5	Confident	94 Å²	94	41.9 Å²	41.9	50%	0.503	23%	0.232	S	C	.	.			trans	-76.3	123.6	152.6	-56.7	-57.8	0	0	0	108.2	G512 D513	G512-N517 WeakPolarHBondContact CA-O 3.09Å; D513-N517 PolarHBondContact N-O 3.43Å; D513-N517 PolarHBondContact OD1-N 2.86Å; D513-N517 WeakPolarHBondContact OD2-CB 3.44Å; D513-N517 PolarHBondContact OD2-ND2 2.81Å
518	F	88.2	Confident	84.8	Confident	10 Å²	10	45.4 Å²	45.4	4%	0.044	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	148.2	-179.8	-70.8	-95.5	0	0	0	111.3	V510 F511 G516 L535 L537 I551 F554 I564	V510-F518 HydrophobicContact CG1-CD1 3.84Å; F511-F518 CarbonylContact O-C 3.53Å; F511-F518 VanDerWaalsContact O-CA 3.29Å; F511-F518 WeakPolarHBondContact O-CA 3.48Å; G516-F518 WeakPolarHBondContact O-CD2 3.35Å; G516-F518 WeakPolarHBondContact O-CE2 3.49Å; F518-L535 HydrophobicContact CB-CB 3.94Å; F518-L535 HydrophobicContact CB-CD2 3.79Å; F518-L535 HydrophobicContact CB-CG 4.42Å; F518-L535 HydrophobicContact CG-CD2 4.36Å; F518-L535 PolarHBondContact O-N 2.99Å; F518-L537 HydrophobicContact CD2-CD1 3.45Å; F518-L537 VanDerWaalsContact CD2-CD1 3.45Å; F518-L537 HydrophobicContact CD2-CG 3.94Å; F518-L537 HydrophobicContact CE2-CD1 3.28Å; F518-L537 HydrophobicContact CE2-CG 4.26Å; F518-L537 HydrophobicContact CG-CD1 4.49Å; F518-L537 HydrophobicContact CZ-CD1 4.2Å; F518-I551 HydrophobicContact CE1-CD1 4.24Å; F518-I551 HydrophobicContact CE2-CD1 3.71Å; F518-I551 HydrophobicContact CZ-CD1 3.34Å; F518-F554 AromaticContact CE1-CE1 3.76Å; F518-F554 HydrophobicContact CE1-CE1 3.76Å; F518-F554 HydrophobicContact CE1-CZ 4.31Å; F518-F554 HydrophobicContact CZ-CE1 4.2Å; F518-I564 HydrophobicContact CE1-CD1 4.3Å; F518-I564 HydrophobicContact CE2-CD1 4.09Å; F518-I564 HydrophobicContact CZ-CD1 3.47Å; F518-I564 VanDerWaalsContact CZ-CD1 3.47Å; F518-I564 HydrophobicContact CZ-CG1 4Å
519	L	88.1	Confident	84.2	Confident	26 Å²	26	51.5 Å²	51.5	14%	0.136	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	156.7	173.6	64.4	89.9	0	0	0	109.8	F486 L491 V510 F511 L521 K533	F486-L519 HydrophobicContact CD1-CD1 4.04Å; F486-L519 HydrophobicContact CD1-CD2 3.42Å; F486-L519 VanDerWaalsContact CD1-CD2 3.42Å; F486-L519 HydrophobicContact CD1-CG 4.38Å; F486-L519 HydrophobicContact CE1-CD1 3.51Å; F486-L519 HydrophobicContact CE1-CD2 3.77Å; F486-L519 HydrophobicContact CE1-CG 4.27Å; F486-L519 HydrophobicContact CG-CD2 4.44Å; L491-L519 HydrophobicContact CD2-CD2 4.42Å; V510-L519 WeakPolarHBondContact CA-O 3.44Å; F511-L519 HydrophobicContact CB-CD1 3.87Å; F511-L519 HydrophobicContact CB-CG 4.04Å; F511-L519 PolarHBondContact N-O 2.88Å; F511-L519 PolarHBondContact O-N 2.96Å; L519-L521 HydrophobicContact CD1-CD2 4.16Å; L519-L521 HydrophobicContact CD1-CG 3.98Å; L519-K533 CarbonylContact C-O 3.58Å
520	T	89.8	Confident	83.6	Confident	14 Å²	14	52.7 Å²	52.7	9%	0.086	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	136.1	173.3	52.5	0	0	0	0	109.6	L505 Y509 V510 E532 K533 L535	L505-T520 HydrophobicContact CD1-CG2 4.27Å; Y509-T520 CarbonylContact O-C 3.58Å; Y509-T520 WeakPolarHBondContact O-CA 3.49Å; V510-T520 HydrophobicContact CG2-CG2 4.08Å; T520-E532 CarbonylContact O-C 3.53Å; T520-E532 WeakPolarHBondContact O-CA 3.46Å; T520-K533 PolarHBondContact N-O 2.85Å; T520-K533 PolarHBondContact O-N 3.37Å; T520-K533 PolarHBondContact OG1-O 2.74Å; T520-L535 HydrophobicContact CG2-CB 4.02Å; T520-L535 HydrophobicContact CG2-CD1 3.57Å; T520-L535 HydrophobicContact CG2-CG 4.4Å
521	L	86.3	Confident	83.1	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	126.1	167.1	-63.7	177.9	0	0	0	108.5	L451 F483 P485 F486 Y509 F511 L519 W530 E532	L451-L521 HydrophobicContact CD1-CD1 4.27Å; L451-L521 HydrophobicContact CD2-CD1 4.41Å; F483-L521 HydrophobicContact CE1-CD2 4.16Å; P485-L521 HydrophobicContact CB-CD2 4.34Å; F486-L521 HydrophobicContact CE1-CD1 4.12Å; F486-L521 HydrophobicContact CE1-CD2 4.33Å; F486-L521 HydrophobicContact CE1-CG 4.44Å; F486-L521 HydrophobicContact CZ-CD1 3.99Å; Y509-L521 WeakPolarHBondContact CB-O 3.38Å; Y509-L521 PolarHBondContact N-O 3.4Å; Y509-L521 PolarHBondContact O-N 2.74Å; F511-L521 HydrophobicContact CD2-CD1 4.14Å; F511-L521 HydrophobicContact CE2-CD1 4.08Å; L519-L521 HydrophobicContact CD1-CD2 4.16Å; L519-L521 HydrophobicContact CD1-CG 3.98Å; L521-W530 HydrophobicContact CB-CE3 3.93Å; L521-W530 HydrophobicContact CB-CZ3 4.18Å; L521-E532 HydrophobicContact CD2-CB 3.92Å
522	Q	82.1	Confident	82.6	Confident	66 Å²	66	61.5 Å²	61.5	31%	0.308	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	129.8	174.7	-70.8	-177.1	-26.5	0	0	109.2	S508 Q531	S508-Q522 PolarHBondContact OG-NE2 3.41Å; Q522-Q531 PolarHBondContact N-O 2.92Å; Q522-Q531 PolarHBondContact O-N 3.17Å
523	R	79.6	Confident	82.4	Confident	64 Å²	64	66 Å²	66	24%	0.242	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	123.5	174.1	-168	177.4	-179.1	-171.6	1.2	109.3	P525 K528 W530	R523-P525 WeakPolarHBondContact O-CD 3.32Å; R523-K528 PolarHBondContact NE-O 3.29Å; R523-W530 HydrophobicContact CB-CD2 4.09Å; R523-W530 HydrophobicContact CB-CE3 3.95Å; R523-W530 HydrophobicContact CB-CH2 4.09Å; R523-W530 HydrophobicContact CB-CZ2 4.18Å; R523-W530 HydrophobicContact CB-CZ3 3.98Å; R523-W530 HydrophobicContact CG-CD2 4.39Å; R523-W530 HydrophobicContact CG-CZ2 4.42Å
524	S	77	Confident	82.2	Confident	23 Å²	23	70.8 Å²	70.8	16%	0.161	37%	0.366	C	S	.	.			trans	-62.5	124.4	170.9	173.2	0	0	0	0	109.4	V526 T527 K528 Q529	S524-V526 PolarHBondContact O-N 2.89Å; S524-T527 WeakPolarHBondContact CB-OG1 3.34Å; S524-T527 PolarHBondContact OG-N 2.83Å; S524-T527 PolarHBondContact OG-OG1 3.03Å; S524-K528 WeakPolarHBondContact O-CA 3.34Å; S524-K528 PolarHBondContact O-N 3.26Å; S524-Q529 PolarHBondContact N-O 3.17Å
525	P	73.9	Confident	82.3	Confident	109 Å²	109	67 Å²	67	71%	0.708	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-27.5	179	23.1	-30.4	0	0	0	112.2	R523	R523-P525 WeakPolarHBondContact O-CD 3.32Å
526	V	78.4	Confident	82.2	Confident	130 Å²	130	63.8 Å²	63.8	79%	0.788	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-56.9	-177.2	-178	0	0	0	0	111.4	S524 K528	S524-V526 PolarHBondContact O-N 2.89Å; V526-K528 VanDerWaalsContact C-N 3.33Å
527	T	78.9	Confident	82.1	Confident	78 Å²	78	65.1 Å²	65.1	48%	0.479	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-8.8	-174.4	60	0	0	0	0	112.8	S524 Q529	S524-T527 WeakPolarHBondContact CB-OG1 3.34Å; S524-T527 PolarHBondContact OG-N 2.83Å; S524-T527 PolarHBondContact OG-OG1 3.03Å; T527-Q529 PolarHBondContact O-N 3.02Å
528	K	74.9	Confident	81.1	Confident	94 Å²	94	61.4 Å²	61.4	41%	0.409	33%	0.327	S	S	.	.			trans	55.1	7.9	-171.3	-60	-66.2	-172.4	164	0	114.1	D443 R523 S524 V526	D443-K528 IonicContact OD2-NZ 3.07Å; D443-K528 PolarHBondContact OD2-NZ 3.45Å; R523-K528 PolarHBondContact NE-O 3.29Å; S524-K528 WeakPolarHBondContact O-CA 3.34Å; S524-K528 PolarHBondContact O-N 3.26Å; V526-K528 VanDerWaalsContact C-N 3.33Å
529	Q	78.4	Confident	79.5	Confident	131 Å²	131	65.9 Å²	65.9	61%	0.612	36%	0.355	S	S	*	.			trans	-80.4	148.4	176.5	-69.1	-169.6	-23.8	0	0	111.2	S524 T527	S524-Q529 PolarHBondContact N-O 3.17Å; T527-Q529 PolarHBondContact O-N 3.02Å
530	W	79.6	Confident	77.2	Confident	42 Å²	42	68.3 Å²	68.3	16%	0.159	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	133.2	175.9	-68.3	96.5	0	0	0	110.2	L451 I465 F483 Y509 L521 R523	L451-W530 HydrophobicContact CD1-CH2 4.13Å; L451-W530 HydrophobicContact CD1-CZ2 4.43Å; L451-W530 HydrophobicContact CD1-CZ3 4.37Å; I465-W530 HydrophobicContact CD1-CH2 4.4Å; I465-W530 HydrophobicContact CD1-CZ2 3.47Å; I465-W530 VanDerWaalsContact CD1-CZ2 3.47Å; F483-W530 HydrophobicContact CD1-CB 4.31Å; F483-W530 HydrophobicContact CE1-CB 3.57Å; F483-W530 HydrophobicContact CE1-CG 4.33Å; F483-W530 HydrophobicContact CE2-CB 3.92Å; F483-W530 HydrophobicContact CZ-CB 3.4Å; F483-W530 HydrophobicContact CZ-CG 4.4Å; Y509-W530 HydrophobicContact CD1-CH2 4.45Å; Y509-W530 HydrophobicContact CD2-CH2 4.09Å; Y509-W530 AromaticContact CD2-CZ3 3.81Å; Y509-W530 HydrophobicContact CD2-CZ3 3.81Å; Y509-W530 HydrophobicContact CE1-CH2 4.1Å; Y509-W530 AromaticContact CE2-CH2 3.79Å; Y509-W530 HydrophobicContact CE2-CH2 3.79Å; Y509-W530 AromaticContact CE2-CZ3 3.95Å; Y509-W530 HydrophobicContact CE2-CZ3 3.95Å; Y509-W530 HydrophobicContact CG-CH2 4.45Å; Y509-W530 HydrophobicContact CG-CZ3 4.16Å; Y509-W530 AromaticContact CZ-CH2 3.78Å; L521-W530 HydrophobicContact CB-CE3 3.93Å; L521-W530 HydrophobicContact CB-CZ3 4.18Å; R523-W530 HydrophobicContact CB-CD2 4.09Å; R523-W530 HydrophobicContact CB-CE3 3.95Å; R523-W530 HydrophobicContact CB-CH2 4.09Å; R523-W530 HydrophobicContact CB-CZ2 4.18Å; R523-W530 HydrophobicContact CB-CZ3 3.98Å; R523-W530 HydrophobicContact CG-CD2 4.39Å; R523-W530 HydrophobicContact CG-CZ2 4.42Å
531	Q	81.2	Confident	75.3	Confident	100 Å²	100	71.8 Å²	71.8	47%	0.467	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	132.9	174.1	-67.1	-178.6	-8.6	0	0	109.2	Q522	Q522-Q531 PolarHBondContact N-O 2.92Å; Q522-Q531 PolarHBondContact O-N 3.17Å
532	E	81.1	Confident	73.5	Confident	87 Å²	87	77.3 Å²	77.3	41%	0.407	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	140.2	171.4	64.9	171.1	-167	0	0	111.4	T520 L521	T520-E532 CarbonylContact O-C 3.53Å; T520-E532 WeakPolarHBondContact O-CA 3.46Å; L521-E532 HydrophobicContact CD2-CB 3.92Å
533	K	85.2	Confident	72.1	Confident	93 Å²	93	75.9 Å²	75.9	40%	0.404	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	131.6	171	-63.2	173.9	-174.3	162.7	0	109.1	L519 T520 L535	L519-K533 CarbonylContact C-O 3.58Å; T520-K533 PolarHBondContact N-O 2.85Å; T520-K533 PolarHBondContact O-N 3.37Å; T520-K533 PolarHBondContact OG1-O 2.74Å; K533-L535 PolarHBondContact O-N 2.78Å
534	P	85.1	Confident	70.6	Confident	109 Å²	109	85 Å²	85	71%	0.708	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.1	136.1	176.5	26.9	-33.7	0	0	0	110.1
535	L	86.4	Confident	69.4	Low	16 Å²	16	84.6 Å²	84.6	8%	0.084	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	115.6	172.8	-177.3	151.4	0	0	0	107.8	F217 L505 V510 F518 T520 K533 L537	F217-L535 HydrophobicContact CD2-CD1 3.82Å; F217-L535 HydrophobicContact CD2-CD2 3.72Å; F217-L535 HydrophobicContact CD2-CG 3.71Å; F217-L535 HydrophobicContact CE2-CD1 3.58Å; F217-L535 HydrophobicContact CE2-CD2 4.33Å; F217-L535 HydrophobicContact CE2-CG 3.84Å; F217-L535 HydrophobicContact CZ-CD1 4.48Å; L505-L535 HydrophobicContact CD1-CD1 3.65Å; V510-L535 HydrophobicContact CG1-CD1 4.25Å; V510-L535 HydrophobicContact CG2-CD1 4.27Å; F518-L535 HydrophobicContact CB-CB 3.94Å; F518-L535 HydrophobicContact CB-CD2 3.79Å; F518-L535 HydrophobicContact CB-CG 4.42Å; F518-L535 HydrophobicContact CG-CD2 4.36Å; F518-L535 PolarHBondContact O-N 2.99Å; T520-L535 HydrophobicContact CG2-CB 4.02Å; T520-L535 HydrophobicContact CG2-CD1 3.57Å; T520-L535 HydrophobicContact CG2-CG 4.4Å; K533-L535 PolarHBondContact O-N 2.78Å; L535-L537 HydrophobicContact CD2-CD2 3.79Å; L535-L537 HydrophobicContact CD2-CG 4.34Å
536	C	83.9	Confident	68.7	Low	42 Å²	42	88 Å²	88	28%	0.284	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-87.7	136.9	179.9	62.2	0	0	0	0	111.6	H212 C216 F217	H212-C536 PolarHBondContact O-SG 3.23Å; C216-C536 CarbonylContact C-O 3.58Å; C216-C536 VanDerWaalsContact CA-O 3.27Å; C216-C536 WeakPolarHBondContact CA-O 3.33Å; C216-C536 WeakPolarHBondContact CA-SG 3.31Å; C216-C536 HydrophobicContact CB-CB 4.02Å; C216-C536 VanDerWaalsContact CB-O 3.31Å; C216-C536 WeakPolarHBondContact CB-O 3.36Å; C216-C536 WeakPolarHBondContact CB-SG 3.34Å; C216-C536 WeakPolarHBondContact SG-CB 3.31Å; C216-C536 CovalentContact SG-SG 2.04Å; C216-C536 PolarHBondContact SG-SG 2.74Å; F217-C536 PolarHBondContact N-O 2.02Å
537	L	80.1	Confident	68.3	Low	40 Å²	40	83.4 Å²	83.4	21%	0.209	45%	0.452	C	S	.	.	B	Isolated β-bridge	trans	-101.9	118.3	166	-62.2	-175.4	0	0	0	108.4	F217 V219 F518 L535 F547 I564	F217-L537 HydrophobicContact CB-CD2 3.77Å; F217-L537 CarbonylContact O-C 3.53Å; F217-L537 VanDerWaalsContact O-CA 3.31Å; F217-L537 WeakPolarHBondContact O-CA 3.35Å; V219-L537 HydrophobicContact CG1-CD1 4.01Å; V219-L537 HydrophobicContact CG1-CD2 4.45Å; F518-L537 HydrophobicContact CD2-CD1 3.45Å; F518-L537 VanDerWaalsContact CD2-CD1 3.45Å; F518-L537 HydrophobicContact CD2-CG 3.94Å; F518-L537 HydrophobicContact CE2-CD1 3.28Å; F518-L537 HydrophobicContact CE2-CG 4.26Å; F518-L537 HydrophobicContact CG-CD1 4.49Å; F518-L537 HydrophobicContact CZ-CD1 4.2Å; L535-L537 HydrophobicContact CD2-CD2 3.79Å; L535-L537 HydrophobicContact CD2-CG 4.34Å; L537-F547 HydrophobicContact CD1-CD1 4.19Å; L537-F547 HydrophobicContact CD1-CE1 3.99Å; L537-I564 HydrophobicContact CD1-CD1 4.42Å
538	G	64.8	Low	67.8	Low	16 Å²	16	81.3 Å²	81.3	17%	0.165	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-89.5	148.5	-171.1	0	0	0	0	0	113.5	F217	F217-G538 PolarHBondContact O-N 3.45Å
539	T	55.1	Low	68	Low	103 Å²	103	78.3 Å²	78.3	63%	0.632	44%	0.436	S	S	*	.			trans	-113.4	8.4	-172	-10.4	0	0	0	0	114.8
540	S	39.4	Very low	68.4	Low	77 Å²	77	75 Å²	75	54%	0.538	42%	0.42	S	S	.	.	S	Bend	trans	-123.7	123.3	-161.9	-49	0	0	0	0	115.5	S542	S540-S542 PolarHBondContact O-N 2.88Å
541	G	50	Low	68.9	Low	87 Å²	87	73.1 Å²	73.1	90%	0.897	41%	0.413	S	S	*	.	S	Bend	trans	79.7	-62.5	150.4	0	0	0	0	0	117.2
542	S	48.1	Very low	69.4	Low	117 Å²	117	69.8 Å²	69.8	82%	0.818	40%	0.399	S	S	*	.	S	Bend	trans	-90.7	-23.4	-173.3	-46.9	0	0	0	0	113.1	S540	S540-S542 PolarHBondContact O-N 2.88Å
543	C	52.3	Low	69.9	Low	35 Å²	35	65.8 Å²	65.8	24%	0.236	38%	0.381	C	S	.	.	S	Bend	trans	-128.2	118.8	177	-66.1	0	0	0	0	109.5	C218 G545	C218-C543 HydrophobicContact CB-CB 3.52Å; C218-C543 WeakPolarHBondContact SG-CB 3.35Å; C543-G545 PolarHBondContact O-N 2.99Å
544	R	49.1	Very low	70.5	Confident	255 Å²	255	61.5 Å²	61.5	96%	0.962	36%	0.362	S	S	*	.			trans	-77.7	95.8	171	-69.6	-176	178.1	-173.8	-0.2	108.2
545	G	51.6	Low	71.1	Confident	16 Å²	16	56.4 Å²	56.4	17%	0.165	33%	0.33	C	S	.	.			trans	-165.4	90.3	179.3	0	0	0	0	0	113.9	V219 C543	V219-G545 WeakPolarHBondContact O-CA 3.27Å; C543-G545 PolarHBondContact O-N 2.99Å
546	Y	59	Low	71.6	Confident	179 Å²	179	57.4 Å²	57.4	70%	0.702	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-93.3	128.1	147.5	68.6	-84	0	0	0	105.9
547	F	69.8	Low	72.1	Confident	35 Å²	35	56.1 Å²	56.1	15%	0.154	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-77.9	132.1	165.1	74.9	-87.1	0	0	0	106.8	V219 L537 G549 I551 Y580	V219-F547 HydrophobicContact CG2-CB 4.09Å; V219-F547 HydrophobicContact CG2-CD1 4.37Å; L537-F547 HydrophobicContact CD1-CD1 4.19Å; L537-F547 HydrophobicContact CD1-CE1 3.99Å; F547-G549 WeakPolarHBondContact CE2-O 3.44Å; F547-I551 HydrophobicContact CE2-CG1 4.17Å; F547-Y580 HydrophobicContact CB-CD1 4.15Å; F547-Y580 HydrophobicContact CB-CD2 4.02Å; F547-Y580 HydrophobicContact CB-CE1 4.02Å; F547-Y580 HydrophobicContact CB-CE2 3.88Å; F547-Y580 HydrophobicContact CB-CG 4.14Å
548	S	68.1	Low	72.8	Confident	34 Å²	34	56.2 Å²	56.2	24%	0.238	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-95.4	134.4	176.9	62.4	0	0	0	0	110.2	S566 Y580	S548-S566 PolarHBondContact O-OG 2.86Å; S548-Y580 PolarHBondContact N-OH 3.28Å; S548-Y580 PolarHBondContact OG-OH 3.18Å
549	G	78.9	Confident	74.2	Confident	31 Å²	31	58 Å²	58	32%	0.32	33%	0.33	S	S	.	.	S	Bend	trans	101.5	-164.6	170.7	0	0	0	0	0	114.4	F547 S567	F547-G549 WeakPolarHBondContact CE2-O 3.44Å; G549-S567 CarbonylContact C-O 3.59Å; G549-S567 WeakPolarHBondContact CA-O 3.45Å
550	H	87.4	Confident	76	Confident	60 Å²	60	53.4 Å²	53.4	28%	0.278	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	140	-176.8	-58.3	78.6	0	0	0	109.9	R514 L552 S566 S567	R514-H550 HydrophobicContact CG-CB 3.87Å; R514-H550 CarbonylContact O-C 3.51Å; R514-H550 VanDerWaalsContact O-CA 3.25Å; R514-H550 WeakPolarHBondContact O-CA 3.25Å; H550-L552 PolarHBondContact O-N 2.94Å; H550-S566 CarbonylContact O-C 3.58Å; H550-S566 WeakPolarHBondContact O-CA 3.22Å; H550-S566 WeakPolarHBondContact O-CB 3.35Å; H550-S567 PolarHBondContact N-O 3.05Å; H550-S567 PolarHBondContact O-N 2.71Å
551	I	90.4	Very high	78.7	Confident	3 Å²	3	50.1 Å²	50.1	2%	0.015	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	131.4	171.2	-58.5	-171.4	0	0	0	108.7	V492 R514 G516 F518 F547 F554 I564	V492-I551 HydrophobicContact CB-CG2 4.42Å; V492-I551 HydrophobicContact CG1-CG2 4.22Å; V492-I551 HydrophobicContact CG2-CB 4.36Å; V492-I551 HydrophobicContact CG2-CG2 4.37Å; R514-I551 PolarHBondContact O-N 3.45Å; G516-I551 VanDerWaalsContact CA-CD1 3.45Å; F518-I551 HydrophobicContact CE1-CD1 4.24Å; F518-I551 HydrophobicContact CE2-CD1 3.71Å; F518-I551 HydrophobicContact CZ-CD1 3.34Å; F547-I551 HydrophobicContact CE2-CG1 4.17Å; I551-F554 HydrophobicContact CD1-CE1 4.46Å; I551-F554 HydrophobicContact CG2-CE1 4.04Å; I551-F554 HydrophobicContact CG2-CZ 3.95Å; I551-I564 HydrophobicContact CD1-CG2 4.03Å; I551-I564 HydrophobicContact CG1-CG2 3.92Å; I551-I564 HydrophobicContact CG2-CG2 4.2Å
552	L	90.9	Very high	80.9	Confident	30 Å²	30	46 Å²	46	16%	0.157	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	-28.4	178.6	-58.5	176	0	0	0	111.7	P229 H550 L565 S567 M571	P229-L552 HydrophobicContact CG-CD1 4.13Å; P229-L552 VanDerWaalsContact O-CB 3.32Å; P229-L552 WeakPolarHBondContact O-CB 3.36Å; H550-L552 PolarHBondContact O-N 2.94Å; L552-L565 PolarHBondContact N-O 2.85Å; L552-S567 VanDerWaalsContact CD1-CB 3.43Å; L552-M571 HydrophobicContact CB-CE 4.1Å; L552-M571 HydrophobicContact CD1-CE 3.22Å; L552-M571 HydrophobicContact CD2-CE 3.71Å; L552-M571 HydrophobicContact CD2-CG 4.09Å; L552-M571 HydrophobicContact CG-CE 3.83Å
553	G	93.1	Very high	83.2	Confident	4 Å²	4	41.2 Å²	41.2	4%	0.041	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.1	-174.6	179.2	0	0	0	0	0	112	L565	G553-L565 PolarHBondContact N-O 2.79Å; G553-L565 WeakPolarHBondContact O-CD1 3.24Å; G553-L565 PolarHBondContact O-N 2.99Å
554	F	96.9	Very high	85.2	Confident	2 Å²	2	39.6 Å²	39.6	1%	0.009	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	159	-178.6	-55.9	-76.8	0	0	0	110.9	A232 R434 V492 F495 F518 I551 Y563 I564	A232-F554 PolarHBondContact N-O 2.82Å; R434-F554 HydrophobicContact CB-CD2 4.5Å; V492-F554 HydrophobicContact CB-CE2 4.4Å; V492-F554 HydrophobicContact CG1-CE2 4.28Å; F495-F554 HydrophobicContact CD1-CB 4.13Å; F495-F554 AromaticContact CD1-CD1 3.79Å; F495-F554 HydrophobicContact CD1-CD1 3.79Å; F495-F554 HydrophobicContact CD1-CD2 4.38Å; F495-F554 HydrophobicContact CD1-CE1 4.32Å; F495-F554 AromaticContact CD1-CG 3.83Å; F495-F554 HydrophobicContact CD1-CG 3.83Å; F495-F554 AromaticContact CE1-CD1 3.66Å; F495-F554 HydrophobicContact CE1-CD1 3.66Å; F495-F554 AromaticContact CE1-CE1 3.95Å; F495-F554 HydrophobicContact CE1-CE1 3.95Å; F495-F554 HydrophobicContact CE1-CG 4.19Å; F518-F554 AromaticContact CE1-CE1 3.76Å; F518-F554 HydrophobicContact CE1-CE1 3.76Å; F518-F554 HydrophobicContact CE1-CZ 4.31Å; F518-F554 HydrophobicContact CZ-CE1 4.2Å; I551-F554 HydrophobicContact CD1-CE1 4.46Å; I551-F554 HydrophobicContact CG2-CE1 4.04Å; I551-F554 HydrophobicContact CG2-CZ 3.95Å; F554-Y563 CarbonylContact C-O 3.47Å; F554-Y563 VanDerWaalsContact CA-O 3.28Å; F554-Y563 WeakPolarHBondContact CA-O 3.46Å; F554-I564 HydrophobicContact CD1-CG1 4.38Å; F554-I564 HydrophobicContact CE1-CG1 4.42Å
555	G	96.8	Very high	87.4	Confident	2 Å²	2	27.4 Å²	27.4	2%	0.021	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	164.2	172.1	0	0	0	0	0	114	A232 V562 Y563	A232-G555 CarbonylContact O-C 3.59Å; A232-G555 WeakPolarHBondContact O-CA 3.29Å; G555-V562 CarbonylContact O-C 3.44Å; G555-V562 VanDerWaalsContact O-CA 3.3Å; G555-V562 WeakPolarHBondContact O-CA 3.4Å; G555-Y563 PolarHBondContact N-O 2.77Å; G555-Y563 PolarHBondContact O-N 3.27Å
556	E	96.9	Very high	89.3	Confident	37 Å²	37	26.7 Å²	26.7	17%	0.173	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	129	-179.5	-175.8	178.3	-179.3	0	0	108.5	A232 H234 L242 E561	A232-E556 PolarHBondContact O-N 3.07Å; A232-E556 VanDerWaalsContact O-N 3.14Å; H234-E556 PolarHBondContact N-O 3.17Å; L242-E556 WeakPolarHBondContact CD1-O 3.48Å; E556-E561 WeakPolarHBondContact CA-O 3.1Å
557	D	96	Very high	90.6	Very high	15 Å²	15	18.4 Å²	18.4	8%	0.08	10%	0.104	C	C	.	.			trans	-89	174.8	172	70.3	24.2	0	0	0	112.2	H234 L242 L559 G560 E561 Y563 K581	H234-D557 VanDerWaalsContact CD2-C 3.46Å; H234-D557 PolarHBondContact CD2-O 2.84Å; H234-D557 VanDerWaalsContact CD2-O 3.27Å; L242-D557 HydrophobicContact CD1-CB 4.34Å; D557-L559 PolarHBondContact O-N 2.92Å; D557-L559 WeakPolarHBondContact OD1-CA 3.34Å; D557-L559 WeakPolarHBondContact OD1-CB 2.98Å; D557-L559 PolarHBondContact OD1-N 3.19Å; D557-G560 PolarHBondContact O-N 2.88Å; D557-G560 PolarHBondContact OD1-N 3.2Å; D557-G560 VanDerWaalsContact OD1-N 3.13Å; D557-E561 PolarHBondContact N-O 3.22Å; D557-E561 PolarHBondContact OD1-N 2.87Å; D557-E561 WeakPolarHBondContact OD2-CB 3.24Å; D557-Y563 HydrophobicContact CB-CE2 3.64Å; D557-Y563 WeakPolarHBondContact OD2-CE2 3.29Å; D557-Y563 PolarHBondContact OD2-OH 3.4Å; D557-K581 IonicContact OD2-NZ 3.27Å
558	E	95.1	Very high	90.8	Very high	43 Å²	43	19.4 Å²	19.4	20%	0.201	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-17.8	-176.7	-170.5	161.2	-147.4	0	0	113.9	H234 G236 D237 G238 S239 H240 G560	H234-E558 HydrophobicContact CB-CB 3.94Å; G236-E558 WeakPolarHBondContact CA-OE1 3.06Å; D237-E558 PolarHBondContact N-OE1 3.37Å; D237-E558 VanDerWaalsContact N-OE1 3.12Å; G238-E558 VanDerWaalsContact CA-OE1 3.29Å; G238-E558 WeakPolarHBondContact CA-OE1 2.76Å; G238-E558 WeakPolarHBondContact CA-OE2 3.22Å; G238-E558 PolarHBondContact N-OE1 2.61Å; G238-E558 PolarHBondContact N-OE2 2.84Å; S239-E558 PolarHBondContact N-OE2 2.68Å; H240-E558 WeakPolarHBondContact CA-OE2 3.29Å; H240-E558 IonicContact CD2-OE2 2.65Å; H240-E558 IonicContact CG-OE2 2.75Å; H240-E558 PolarHBondContact N-OE2 3.48Å; E558-G560 VanDerWaalsContact C-N 3.3Å
559	L	93.3	Very high	90.7	Very high	54 Å²	54	22.9 Å²	22.9	28%	0.283	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-1.9	173.3	-64	175.3	0	0	0	112.2	G499 D557 E561 V596	G499-L559 WeakPolarHBondContact CA-O 3.27Å; D557-L559 PolarHBondContact O-N 2.92Å; D557-L559 WeakPolarHBondContact OD1-CA 3.34Å; D557-L559 WeakPolarHBondContact OD1-CB 2.98Å; D557-L559 PolarHBondContact OD1-N 3.19Å; L559-E561 VanDerWaalsContact C-N 3.31Å; L559-E561 HydrophobicContact CB-CG 4.37Å; L559-V596 HydrophobicContact CD2-CB 4.03Å; L559-V596 HydrophobicContact CD2-CG2 3.56Å
560	G	93.4	Very high	89.8	Confident	6 Å²	6	23.5 Å²	23.5	6%	0.062	13%	0.125	C	C	.	.	S	Bend	trans	80.4	9.3	-176.5	0	0	0	0	0	113.7	G499 D557 E558	G499-G560 WeakPolarHBondContact CA-O 3.34Å; G499-G560 PolarHBondContact N-O 3.43Å; D557-G560 PolarHBondContact O-N 2.88Å; D557-G560 PolarHBondContact OD1-N 3.2Å; D557-G560 VanDerWaalsContact OD1-N 3.13Å; E558-G560 VanDerWaalsContact C-N 3.3Å
561	E	95.2	Very high	88.3	Confident	7 Å²	7	22 Å²	22	3%	0.033	12%	0.118	C	C	.	.			trans	-74.4	147.2	172.6	-51.9	-56.7	149.7	0	0	110.3	Y497 C500 Q501 E556 D557 L559 Y563	Y497-E561 WeakPolarHBondContact CE2-OE2 3.47Å; Y497-E561 PolarHBondContact OH-OE1 2.9Å; Y497-E561 PolarHBondContact OH-OE2 2.93Å; C500-E561 PolarHBondContact N-OE1 2.95Å; Q501-E561 WeakPolarHBondContact CB-OE1 3.15Å; Q501-E561 WeakPolarHBondContact CB-OE2 3.39Å; Q501-E561 PolarHBondContact N-OE1 3.47Å; E556-E561 WeakPolarHBondContact CA-O 3.1Å; D557-E561 PolarHBondContact N-O 3.22Å; D557-E561 PolarHBondContact OD1-N 2.87Å; D557-E561 WeakPolarHBondContact OD2-CB 3.24Å; L559-E561 VanDerWaalsContact C-N 3.31Å; L559-E561 HydrophobicContact CB-CG 4.37Å; E561-Y563 HydrophobicContact CB-CE2 4.4Å; E561-Y563 VanDerWaalsContact O-CE2 3.29Å; E561-Y563 WeakPolarHBondContact O-CE2 3.18Å
562	V	96.9	Very high	86.7	Confident	1 Å²	1	23.9 Å²	23.9	1%	0.006	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	147.9	-167.3	-62.3	0	0	0	0	112	F495 Y497 G555 I582	F495-V562 HydrophobicContact CD2-CB 4.17Å; F495-V562 HydrophobicContact CD2-CG1 3.69Å; F495-V562 HydrophobicContact CD2-CG2 4.36Å; F495-V562 HydrophobicContact CE2-CB 3.9Å; F495-V562 HydrophobicContact CE2-CG1 3.82Å; F495-V562 HydrophobicContact CE2-CG2 3.61Å; F495-V562 HydrophobicContact CG-CG1 4.39Å; F495-V562 HydrophobicContact CZ-CB 4.22Å; F495-V562 HydrophobicContact CZ-CG2 3.85Å; Y497-V562 HydrophobicContact CD2-CB 4.42Å; Y497-V562 HydrophobicContact CD2-CG1 3.87Å; Y497-V562 HydrophobicContact CD2-CG2 3.71Å; Y497-V562 HydrophobicContact CE2-CG2 4.07Å; G555-V562 CarbonylContact O-C 3.44Å; G555-V562 VanDerWaalsContact O-CA 3.3Å; G555-V562 WeakPolarHBondContact O-CA 3.4Å; V562-I582 HydrophobicContact CG2-CB 3.96Å; V562-I582 HydrophobicContact CG2-CD1 3.87Å; V562-I582 HydrophobicContact CG2-CG1 4.14Å; V562-I582 PolarHBondContact O-N 3.44Å
563	Y	96.1	Very high	85	Confident	17 Å²	17	29.5 Å²	29.5	7%	0.067	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	150.7	-173.4	-57.9	-101.1	0	0	0	111.2	V222 L242 F554 G555 D557 E561 L579 Y580 K581	V222-Y563 HydrophobicContact CG2-CD1 4.25Å; V222-Y563 HydrophobicContact CG2-CE1 4.05Å; L242-Y563 HydrophobicContact CD2-CD2 4.45Å; F554-Y563 CarbonylContact C-O 3.47Å; F554-Y563 VanDerWaalsContact CA-O 3.28Å; F554-Y563 WeakPolarHBondContact CA-O 3.46Å; G555-Y563 PolarHBondContact N-O 2.77Å; G555-Y563 PolarHBondContact O-N 3.27Å; D557-Y563 HydrophobicContact CB-CE2 3.64Å; D557-Y563 WeakPolarHBondContact OD2-CE2 3.29Å; D557-Y563 PolarHBondContact OD2-OH 3.4Å; E561-Y563 HydrophobicContact CB-CE2 4.4Å; E561-Y563 VanDerWaalsContact O-CE2 3.29Å; E561-Y563 WeakPolarHBondContact O-CE2 3.18Å; Y563-L579 HydrophobicContact CD1-CD1 4.26Å; Y563-L579 HydrophobicContact CD1-CD2 4.09Å; Y563-L579 HydrophobicContact CD1-CG 4Å; Y563-L579 HydrophobicContact CG-CD1 4.22Å; Y563-L579 HydrophobicContact CG-CG 4.46Å; Y563-Y580 CarbonylContact C-O 3.54Å; Y563-Y580 WeakPolarHBondContact CA-O 3.38Å; Y563-Y580 WeakPolarHBondContact CB-O 3.26Å; Y563-K581 HydrophobicContact CD1-CB 3.81Å; Y563-K581 HydrophobicContact CD1-CG 4.15Å; Y563-K581 HydrophobicContact CE1-CB 3.63Å; Y563-K581 HydrophobicContact CE1-CD 3.82Å; Y563-K581 HydrophobicContact CE1-CG 3.7Å; Y563-K581 PolarHBondContact OH-NZ 2.65Å; Y563-K581 VanDerWaalsContact OH-NZ 3.17Å
564	I	95.2	Very high	83	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	129.7	174	-60.6	162.8	0	0	0	107.6	V219 F518 L537 I551 F554 Y580 I582	V219-I564 HydrophobicContact CG1-CD1 3.87Å; F518-I564 HydrophobicContact CE1-CD1 4.3Å; F518-I564 HydrophobicContact CE2-CD1 4.09Å; F518-I564 HydrophobicContact CZ-CD1 3.47Å; F518-I564 VanDerWaalsContact CZ-CD1 3.47Å; F518-I564 HydrophobicContact CZ-CG1 4Å; L537-I564 HydrophobicContact CD1-CD1 4.42Å; I551-I564 HydrophobicContact CD1-CG2 4.03Å; I551-I564 HydrophobicContact CG1-CG2 3.92Å; I551-I564 HydrophobicContact CG2-CG2 4.2Å; F554-I564 HydrophobicContact CD1-CG1 4.38Å; F554-I564 HydrophobicContact CE1-CG1 4.42Å; I564-Y580 PolarHBondContact N-O 2.84Å; I564-Y580 PolarHBondContact O-N 3.39Å; I564-I582 HydrophobicContact CD1-CD1 3.79Å; I564-I582 HydrophobicContact CD1-CG1 3.78Å; I564-I582 HydrophobicContact CG1-CD1 3.94Å; I564-I582 HydrophobicContact CG1-CG1 4.03Å
565	L	94.1	Very high	81.7	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	124.4	170.7	-57	96.8	0	0	0	107.9	P229 A232 I244 L552 G553 K578 L579	P229-L565 HydrophobicContact CB-CB 4.21Å; P229-L565 HydrophobicContact CB-CD2 3.58Å; P229-L565 HydrophobicContact CB-CG 4.49Å; P229-L565 HydrophobicContact CG-CB 4.2Å; P229-L565 HydrophobicContact CG-CD2 4.4Å; A232-L565 HydrophobicContact CB-CD1 4.5Å; A232-L565 HydrophobicContact CB-CD2 4.31Å; I244-L565 HydrophobicContact CG2-CD2 4.11Å; L552-L565 PolarHBondContact N-O 2.85Å; G553-L565 PolarHBondContact N-O 2.79Å; G553-L565 WeakPolarHBondContact O-CD1 3.24Å; G553-L565 PolarHBondContact O-N 2.99Å; L565-K578 WeakPolarHBondContact CA-O 3.37Å; L565-L579 HydrophobicContact CD1-CD1 4.28Å; L565-L579 HydrophobicContact CD2-CD1 4.01Å; L565-L579 HydrophobicContact CG-CD1 3.71Å
566	S	90.8	Very high	80.7	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	162	-177.8	89.5	0	0	0	0	113.2	S548 H550 G577 K578 Y580	S548-S566 PolarHBondContact O-OG 2.86Å; H550-S566 CarbonylContact O-C 3.58Å; H550-S566 WeakPolarHBondContact O-CA 3.22Å; H550-S566 WeakPolarHBondContact O-CB 3.35Å; S566-G577 CarbonylContact O-C 3.56Å; S566-G577 VanDerWaalsContact O-CA 3.3Å; S566-G577 WeakPolarHBondContact O-CA 3.46Å; S566-K578 PolarHBondContact N-O 3.43Å; S566-K578 PolarHBondContact O-N 3.34Å; S566-Y580 WeakPolarHBondContact OG-CE2 3.48Å
567	S	86.7	Confident	80.4	Confident	6 Å²	6	39 Å²	39	4%	0.042	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	141	170.3	-178.1	0	0	0	0	111.6	G549 H550 L552 K569	G549-S567 CarbonylContact C-O 3.59Å; G549-S567 WeakPolarHBondContact CA-O 3.45Å; H550-S567 PolarHBondContact N-O 3.05Å; H550-S567 PolarHBondContact O-N 2.71Å; L552-S567 VanDerWaalsContact CD1-CB 3.43Å; S567-K569 VanDerWaalsContact C-N 3.29Å; S567-K569 PolarHBondContact O-N 3.3Å; S567-K569 PolarHBondContact OG-O 2.82Å
568	S	75.5	Confident	80.2	Confident	56 Å²	56	40 Å²	40	39%	0.392	21%	0.209	S	C	.	.	S	Bend	trans	-68.4	-24.6	-178.8	60.5	0	0	0	0	113.9
569	K	64.6	Low	80.1	Confident	107 Å²	107	37.9 Å²	37.9	47%	0.465	20%	0.199	S	C	.	.	S	Bend	trans	-116.2	146.1	175.3	-67.3	-174.8	178.8	-178	0	109.8	S567 M571	S567-K569 VanDerWaalsContact C-N 3.29Å; S567-K569 PolarHBondContact O-N 3.3Å; S567-K569 PolarHBondContact OG-O 2.82Å; K569-M571 PolarHBondContact O-N 2.91Å
570	S	60.8	Low	80.1	Confident	44 Å²	44	35.6 Å²	35.6	31%	0.308	19%	0.187	S	C	.	.	S	Bend	trans	-58.5	97.7	176	171.5	0	0	0	0	110.6	R514 T572	R514-S570 PolarHBondContact NH2-OG 2.96Å; S570-T572 PolarHBondContact O-N 3.47Å; S570-T572 PolarHBondContact O-OG1 2.8Å
571	M	56.5	Low	80.1	Confident	27 Å²	27	37.8 Å²	37.8	13%	0.133	19%	0.194	C	C	.	.	S	Bend	trans	47.2	-33.9	173.8	-84.4	-90.2	116.9	0	0	118.8	Q228 K247 L552 K569	Q228-M571 HydrophobicContact CB-CE 3.67Å; Q228-M571 HydrophobicContact CB-SD 3.88Å; Q228-M571 WeakPolarHBondContact CG-O 3.39Å; Q228-M571 HydrophobicContact CG-SD 4.46Å; Q228-M571 PolarHBondContact NE2-O 2.75Å; Q228-M571 PolarHBondContact OE1-O 3.1Å; Q228-M571 VanDerWaalsContact OE1-O 3.08Å; K247-M571 HydrophobicContact CD-SD 3.49Å; K247-M571 WeakPolarHBondContact CD-SD 3.1Å; L552-M571 HydrophobicContact CB-CE 4.1Å; L552-M571 HydrophobicContact CD1-CE 3.22Å; L552-M571 HydrophobicContact CD2-CE 3.71Å; L552-M571 HydrophobicContact CD2-CG 4.09Å; L552-M571 HydrophobicContact CG-CE 3.83Å; K569-M571 PolarHBondContact O-N 2.91Å
572	T	56.3	Low	79.9	Confident	43 Å²	43	37.8 Å²	37.8	26%	0.264	20%	0.195	S	C	.	.	S	Bend	trans	-110.4	2.7	-148.9	58.5	0	0	0	0	116.9	I276 S570	I276-T572 VanDerWaalsContact O-CB 3.26Å; I276-T572 WeakPolarHBondContact O-CB 3.15Å; I276-T572 WeakPolarHBondContact O-CG2 3.45Å; S570-T572 PolarHBondContact O-N 3.47Å; S570-T572 PolarHBondContact O-OG1 2.8Å
573	Q	54.1	Low	79.6	Confident	148 Å²	148	38.3 Å²	38.3	69%	0.692	20%	0.197	S	C	*	.	S	Bend	trans	-149.2	16	-167.2	-110.4	172.2	20.6	0	0	121.3
574	T	52.6	Low	79.3	Confident	67 Å²	67	37.7 Å²	37.7	41%	0.411	20%	0.195	S	C	.	.			trans	-163.4	139.9	165.5	38.7	0	0	0	0	111.8	N576	T574-N576 PolarHBondContact O-N 2.95Å
575	H	68	Low	78.8	Confident	109 Å²	109	40.5 Å²	40.5	51%	0.505	21%	0.214	S	C	.	.	S	Bend	trans	-70.9	69.8	169.1	-56	-48.3	0	0	0	111.1	R227	R227-H575 VanDerWaalsContact CD-CE1 3.42Å; R227-H575 WeakPolarHBondContact CD-CE1 3.25Å; R227-H575 WeakPolarHBondContact CD-ND1 3.44Å; R227-H575 VanDerWaalsContact CG-ND1 3.28Å; R227-H575 WeakPolarHBondContact CG-ND1 3.4Å; R227-H575 PolarHBondContact NE-CE1 3.16Å; R227-H575 VanDerWaalsContact NE-CE1 3.29Å
576	N	77.4	Confident	78.4	Confident	68 Å²	68	45.8 Å²	45.8	36%	0.364	24%	0.237	S	C	.	.			trans	-138.8	29	178.4	-160.6	17.9	0	0	0	111.6	T574	T574-N576 PolarHBondContact O-N 2.95Å
577	G	88.9	Confident	78.2	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	144.5	169	0	0	0	0	0	109.9	S224 G225 L226 S566	S224-G577 CarbonylContact C-O 3.58Å; S224-G577 WeakPolarHBondContact CA-O 3.32Å; G225-G577 PolarHBondContact N-O 2.03Å; L226-G577 WeakPolarHBondContact CB-O 3.37Å; L226-G577 PolarHBondContact N-O 2.85Å; L226-G577 WeakPolarHBondContact O-CA 2.86Å; L226-G577 PolarHBondContact O-N 3.06Å; S566-G577 CarbonylContact O-C 3.56Å; S566-G577 VanDerWaalsContact O-CA 3.3Å; S566-G577 WeakPolarHBondContact O-CA 3.46Å
578	K	91.7	Very high	78.1	Confident	36 Å²	36	51.9 Å²	51.9	16%	0.157	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	148.9	-175.8	-66.7	-173.2	169.4	-159.7	0	111	E221 V223 L565 S566 Y580	E221-K578 IonicContact OE1-NZ 3.15Å; E221-K578 IonicContact OE2-NZ 3.81Å; E221-K578 PolarHBondContact OE2-NZ 2.98Å; V223-K578 WeakPolarHBondContact O-CA 3.02Å; L565-K578 WeakPolarHBondContact CA-O 3.37Å; S566-K578 PolarHBondContact N-O 3.43Å; S566-K578 PolarHBondContact O-N 3.34Å; K578-Y580 HydrophobicContact CB-CD2 4.15Å; K578-Y580 HydrophobicContact CB-CE2 3.43Å; K578-Y580 VanDerWaalsContact CB-CE2 3.43Å; K578-Y580 HydrophobicContact CD-CE2 4.05Å; K578-Y580 WeakPolarHBondContact CD-OH 3.32Å; K578-Y580 HydrophobicContact CG-CE2 4.4Å
579	L	94.1	Very high	78.5	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	125.6	172.5	-175.1	71	0	0	0	108.8	V222 V223 L226 L242 I244 L254 Y563 L565	V222-L579 HydrophobicContact CB-CD2 4.34Å; V222-L579 HydrophobicContact CG1-CD2 4.47Å; V222-L579 PolarHBondContact N-O 2.97Å; V223-L579 HydrophobicContact CG2-CB 3.6Å; V223-L579 HydrophobicContact CG2-CD2 4Å; V223-L579 HydrophobicContact CG2-CG 4.45Å; V223-L579 PolarHBondContact O-N 3.06Å; L226-L579 HydrophobicContact CD1-CB 4.18Å; L242-L579 HydrophobicContact CD2-CD2 3.7Å; I244-L579 HydrophobicContact CD1-CD2 4.08Å; L254-L579 HydrophobicContact CD2-CD2 3.72Å; Y563-L579 HydrophobicContact CD1-CD1 4.26Å; Y563-L579 HydrophobicContact CD1-CD2 4.09Å; Y563-L579 HydrophobicContact CD1-CG 4Å; Y563-L579 HydrophobicContact CG-CD1 4.22Å; Y563-L579 HydrophobicContact CG-CG 4.46Å; L565-L579 HydrophobicContact CD1-CD1 4.28Å; L565-L579 HydrophobicContact CD2-CD1 4.01Å; L565-L579 HydrophobicContact CG-CD1 3.71Å
580	Y	92.8	Very high	79.4	Confident	6 Å²	6	55.8 Å²	55.8	2%	0.024	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	133.7	177.3	-62.7	-94.5	0	0	0	110.8	V219 Q220 E221 F547 S548 Y563 I564 S566 K578	V219-Y580 HydrophobicContact CB-CD1 4.42Å; Q220-Y580 CarbonylContact O-C 3.41Å; Q220-Y580 WeakPolarHBondContact O-CA 3.23Å; E221-Y580 HydrophobicContact CB-CD1 3.93Å; E221-Y580 HydrophobicContact CB-CE1 3.77Å; E221-Y580 HydrophobicContact CG-CE1 4.22Å; F547-Y580 HydrophobicContact CB-CD1 4.15Å; F547-Y580 HydrophobicContact CB-CD2 4.02Å; F547-Y580 HydrophobicContact CB-CE1 4.02Å; F547-Y580 HydrophobicContact CB-CE2 3.88Å; F547-Y580 HydrophobicContact CB-CG 4.14Å; S548-Y580 PolarHBondContact N-OH 3.28Å; S548-Y580 PolarHBondContact OG-OH 3.18Å; Y563-Y580 CarbonylContact C-O 3.54Å; Y563-Y580 WeakPolarHBondContact CA-O 3.38Å; Y563-Y580 WeakPolarHBondContact CB-O 3.26Å; I564-Y580 PolarHBondContact N-O 2.84Å; I564-Y580 PolarHBondContact O-N 3.39Å; S566-Y580 WeakPolarHBondContact OG-CE2 3.48Å; K578-Y580 HydrophobicContact CB-CD2 4.15Å; K578-Y580 HydrophobicContact CB-CE2 3.43Å; K578-Y580 VanDerWaalsContact CB-CE2 3.43Å; K578-Y580 HydrophobicContact CD-CE2 4.05Å; K578-Y580 WeakPolarHBondContact CD-OH 3.32Å; K578-Y580 HydrophobicContact CG-CE2 4.4Å
581	K	93.4	Very high	80.8	Confident	51 Å²	51	54 Å²	54	22%	0.222	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	133.4	171.6	-170.5	168.7	-173.9	155.3	0	110.1	V219 Q220 V222 D557 Y563 I583	V219-K581 CarbonylContact C-O 3.57Å; V219-K581 WeakPolarHBondContact CA-O 3.45Å; Q220-K581 PolarHBondContact N-O 3.2Å; Q220-K581 PolarHBondContact O-N 3.37Å; V222-K581 HydrophobicContact CG2-CB 3.81Å; D557-K581 IonicContact OD2-NZ 3.27Å; Y563-K581 HydrophobicContact CD1-CB 3.81Å; Y563-K581 HydrophobicContact CD1-CG 4.15Å; Y563-K581 HydrophobicContact CE1-CB 3.63Å; Y563-K581 HydrophobicContact CE1-CD 3.82Å; Y563-K581 HydrophobicContact CE1-CG 3.7Å; Y563-K581 PolarHBondContact OH-NZ 2.65Å; Y563-K581 VanDerWaalsContact OH-NZ 3.17Å; K581-I583 HydrophobicContact CG-CG1 4.3Å
582	I	92.1	Very high	82.4	Confident	8 Å²	8	58.3 Å²	58.3	4%	0.041	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	132.6	171.4	-55	-175.8	0	0	0	108.6	F217 C218 F495 V562 I564	F217-I582 HydrophobicContact CB-CG2 3.99Å; F217-I582 HydrophobicContact CD1-CG2 4.27Å; F217-I582 HydrophobicContact CG-CG2 4.34Å; C218-I582 CarbonylContact O-C 3.56Å; C218-I582 WeakPolarHBondContact O-CA 3.05Å; F495-I582 HydrophobicContact CE1-CD1 4.46Å; F495-I582 HydrophobicContact CZ-CD1 3.85Å; V562-I582 HydrophobicContact CG2-CB 3.96Å; V562-I582 HydrophobicContact CG2-CD1 3.87Å; V562-I582 HydrophobicContact CG2-CG1 4.14Å; V562-I582 PolarHBondContact O-N 3.44Å; I564-I582 HydrophobicContact CD1-CD1 3.79Å; I564-I582 HydrophobicContact CD1-CG1 3.78Å; I564-I582 HydrophobicContact CG1-CD1 3.94Å; I564-I582 HydrophobicContact CG1-CG1 4.03Å
583	I	90	Very high	84	Confident	11 Å²	11	61.6 Å²	61.6	6%	0.056	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	136.5	-174.4	-62.4	171.2	0	0	0	109.5	C218 Q220 K581 P585 L589	C218-I583 PolarHBondContact N-O 2.85Å; C218-I583 PolarHBondContact O-N 3.28Å; Q220-I583 HydrophobicContact CB-CD1 3.46Å; Q220-I583 VanDerWaalsContact CB-CD1 3.46Å; Q220-I583 HydrophobicContact CG-CD1 4.34Å; K581-I583 HydrophobicContact CG-CG1 4.3Å; I583-P585 VanDerWaalsContact O-CD 3.31Å; I583-P585 WeakPolarHBondContact O-CD 3.34Å; I583-L589 HydrophobicContact CD1-CD2 3.83Å; I583-L589 HydrophobicContact CG1-CD2 4.47Å; I583-L589 HydrophobicContact CG2-CD2 3.68Å
584	D	90.3	Very high	85.7	Confident	4 Å²	4	55 Å²	55	2%	0.021	28%	0.277	C	S	.	.			trans	-85.3	109.7	165.6	-173.4	6.9	0	0	0	110.6	F217 Q501 R504 K586 R587	F217-D584 HydrophobicContact CD1-CB 4.03Å; F217-D584 HydrophobicContact CE1-CB 3.97Å; Q501-D584 PolarHBondContact NE2-O 3.03Å; R504-D584 WeakPolarHBondContact CD-OD2 3.32Å; R504-D584 IonicContact CZ-OD1 3.57Å; R504-D584 IonicContact CZ-OD2 3.69Å; R504-D584 IonicContact NE-OD1 3.04Å; R504-D584 PolarHBondContact NE-OD1 3.2Å; R504-D584 IonicContact NE-OD2 3.66Å; R504-D584 PolarHBondContact NE-OD2 2.99Å; R504-D584 IonicContact NH2-OD1 3.62Å; R504-D584 PolarHBondContact NH2-OD1 3.01Å; R504-D584 IonicContact NH2-OD2 3.53Å; D584-K586 PolarHBondContact O-N 3.24Å; D584-K586 VanDerWaalsContact O-N 3.11Å; D584-K586 WeakPolarHBondContact OD1-CB 3.46Å; D584-K586 PolarHBondContact OD1-N 2.91Å; D584-K586 VanDerWaalsContact OD1-N 3.16Å; D584-R587 PolarHBondContact O-N 3.22Å
585	P	85.3	Confident	87.4	Confident	60 Å²	60	59 Å²	59	39%	0.39	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-11.2	-179.2	29.6	-37.7	0	0	0	113.6	C216 I583 R587	C216-P585 WeakPolarHBondContact O-CD 3.37Å; C216-P585 WeakPolarHBondContact O-CG 3.18Å; I583-P585 VanDerWaalsContact O-CD 3.31Å; I583-P585 WeakPolarHBondContact O-CD 3.34Å; P585-R587 VanDerWaalsContact C-N 3.34Å
586	K	85.3	Confident	88.4	Confident	111 Å²	111	58 Å²	58	48%	0.483	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-18.1	176.4	-66	177.5	-175.2	-85.9	0	113.4	H214 N215 D584	H214-K586 WeakPolarHBondContact O-CE 3.47Å; H214-K586 PolarHBondContact O-NZ 3.47Å; N215-K586 WeakPolarHBondContact OD1-CE 3.4Å; N215-K586 PolarHBondContact OD1-NZ 3.08Å; D584-K586 PolarHBondContact O-N 3.24Å; D584-K586 VanDerWaalsContact O-N 3.11Å; D584-K586 WeakPolarHBondContact OD1-CB 3.46Å; D584-K586 PolarHBondContact OD1-N 2.91Å; D584-K586 VanDerWaalsContact OD1-N 3.16Å
587	R	85.2	Confident	88.9	Confident	55 Å²	55	60.6 Å²	60.6	21%	0.208	30%	0.304	C	S	.	.	S	Bend	trans	-113.6	155.8	-179	-66.5	-141.2	66.5	-161.3	-10.6	110.4	Q501 E503 D584 P585 E593	Q501-R587 PolarHBondContact NE2-O 2.92Å; Q501-R587 WeakPolarHBondContact O-CB 3.35Å; Q501-R587 WeakPolarHBondContact O-CD 3.44Å; E503-R587 IonicContact OE1-CZ 3.24Å; E503-R587 VanDerWaalsContact OE1-CZ 3.31Å; E503-R587 IonicContact OE1-NE 2.92Å; E503-R587 IonicContact OE1-NH1 3.17Å; E503-R587 PolarHBondContact OE1-NH1 3.5Å; E503-R587 IonicContact OE1-NH2 3.75Å; D584-R587 PolarHBondContact O-N 3.22Å; P585-R587 VanDerWaalsContact C-N 3.34Å; R587-E593 IonicContact CZ-OE1 3.7Å; R587-E593 IonicContact NH1-OE1 3.45Å; R587-E593 PolarHBondContact NH1-OE1 3.04Å; R587-E593 IonicContact NH2-OE1 3.88Å; R587-E593 PolarHBondContact NH2-OE1 3.02Å; R587-E593 IonicContact NH2-OE2 3.77Å
588	P	84.9	Confident	89.1	Confident	78 Å²	78	63.5 Å²	63.5	51%	0.506	32%	0.322	S	S	.	.			trans	-53.9	152.5	169.5	-23.5	34.1	0	0	0	111.3	Q501 M590	Q501-P588 PolarHBondContact NE2-O 3Å; P588-M590 PolarHBondContact O-N 2.69Å
589	L	83.8	Confident	89.2	Confident	122 Å²	122	66.8 Å²	66.8	64%	0.639	34%	0.337	S	S	*	.	S	Bend	trans	-62.1	-34.5	176	-70.3	175.7	0	0	0	112.2	I583	I583-L589 HydrophobicContact CD1-CD2 3.83Å; I583-L589 HydrophobicContact CG1-CD2 4.47Å; I583-L589 HydrophobicContact CG2-CD2 3.68Å
590	M	84.9	Confident	89.1	Confident	124 Å²	124	71.9 Å²	71.9	61%	0.611	37%	0.371	S	S	*	.	S	Bend	trans	-135.4	88.2	176.2	-168.3	129.5	68.4	0	0	109.5	P588 R595	P588-M590 PolarHBondContact O-N 2.69Å; M590-R595 HydrophobicContact CG-CG 4.26Å
591	P	89.9	Confident	89.1	Confident	5 Å²	5	72.6 Å²	72.6	3%	0.032	38%	0.378	C	S	.	.			trans	-59.4	151.5	173.3	-20.6	33	0	0	0	111.7	E593 C594	P591-E593 VanDerWaalsContact C-N 3.28Å; P591-E593 VanDerWaalsContact CB-CD 3.43Å; P591-E593 HydrophobicContact CB-CG 4.25Å; P591-E593 VanDerWaalsContact CB-OE2 3.24Å; P591-E593 WeakPolarHBondContact CB-OE2 3.29Å; P591-E593 PolarHBondContact O-N 2.89Å; P591-C594 HydrophobicContact CB-CB 4.46Å; P591-C594 PolarHBondContact O-N 2.02Å
592	E	88.8	Confident	89.1	Confident	119 Å²	119	77.8 Å²	77.8	56%	0.556	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-61.6	-38.3	-177	-68.7	-63.4	158.2	0	0	111.9	C594 R595	E592-C594 PolarHBondContact O-N 3Å; E592-R595 VanDerWaalsContact CD-NH1 3.28Å; E592-R595 WeakPolarHBondContact O-CB 3.33Å; E592-R595 PolarHBondContact O-N 3.2Å; E592-R595 IonicContact OE1-CZ 3.09Å; E592-R595 IonicContact OE1-NE 2.69Å; E592-R595 IonicContact OE1-NH1 3.58Å; E592-R595 PolarHBondContact OE1-NH1 2.84Å; E592-R595 VanDerWaalsContact OE1-NH1 3.09Å; E592-R595 IonicContact OE1-NH2 2.98Å; E592-R595 PolarHBondContact OE1-NH2 3.2Å; E592-R595 WeakPolarHBondContact OE2-CD 3.47Å; E592-R595 IonicContact OE2-CZ 2.69Å; E592-R595 IonicContact OE2-NE 3.56Å; E592-R595 PolarHBondContact OE2-NE 2.88Å; E592-R595 IonicContact OE2-NH1 2.67Å; E592-R595 PolarHBondContact OE2-NH1 3.29Å; E592-R595 IonicContact OE2-NH2 2.94Å
593	E	90.8	Very high	89.1	Confident	112 Å²	112	80.5 Å²	80.5	52%	0.523	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-67.2	-17.8	176.9	66.1	-89.3	-149.2	0	0	113.8	R587 P591	R587-E593 IonicContact CZ-OE1 3.7Å; R587-E593 IonicContact NH1-OE1 3.45Å; R587-E593 PolarHBondContact NH1-OE1 3.04Å; R587-E593 IonicContact NH2-OE1 3.88Å; R587-E593 PolarHBondContact NH2-OE1 3.02Å; R587-E593 IonicContact NH2-OE2 3.77Å; P591-E593 VanDerWaalsContact C-N 3.28Å; P591-E593 VanDerWaalsContact CB-CD 3.43Å; P591-E593 HydrophobicContact CB-CG 4.25Å; P591-E593 VanDerWaalsContact CB-OE2 3.24Å; P591-E593 WeakPolarHBondContact CB-OE2 3.29Å; P591-E593 PolarHBondContact O-N 2.89Å
594	C	89.8	Confident	89.2	Confident	10 Å²	10	80.8 Å²	80.8	7%	0.068	42%	0.422	C	S	.	.	G	3₁₀ helix	trans	-95.8	-1	179.1	-49.4	0	0	0	0	112.7	C500 P591 E592 V596	C500-C594 HydrophobicContact CB-CB 3.79Å; C500-C594 WeakPolarHBondContact CB-SG 3.37Å; C500-C594 WeakPolarHBondContact SG-CA 3.36Å; C500-C594 WeakPolarHBondContact SG-CB 3.12Å; C500-C594 CovalentContact SG-SG 2.03Å; C500-C594 PolarHBondContact SG-SG 3.32Å; P591-C594 HydrophobicContact CB-CB 4.46Å; P591-C594 PolarHBondContact O-N 2.02Å; E592-C594 PolarHBondContact O-N 3Å; C594-V596 PolarHBondContact O-N 2.04Å
595	R	88.1	Confident	89.1	Confident	151 Å²	151	85.3 Å²	85.3	57%	0.57	45%	0.449	S	S	*	.			trans	-71.8	114.9	179.9	-71.1	-174.9	177.2	170.5	2.8	110.2	M590 E592	M590-R595 HydrophobicContact CG-CG 4.26Å; E592-R595 VanDerWaalsContact CD-NH1 3.28Å; E592-R595 WeakPolarHBondContact O-CB 3.33Å; E592-R595 PolarHBondContact O-N 3.2Å; E592-R595 IonicContact OE1-CZ 3.09Å; E592-R595 IonicContact OE1-NE 2.69Å; E592-R595 IonicContact OE1-NH1 3.58Å; E592-R595 PolarHBondContact OE1-NH1 2.84Å; E592-R595 VanDerWaalsContact OE1-NH1 3.09Å; E592-R595 IonicContact OE1-NH2 2.98Å; E592-R595 PolarHBondContact OE1-NH2 3.2Å; E592-R595 WeakPolarHBondContact OE2-CD 3.47Å; E592-R595 IonicContact OE2-CZ 2.69Å; E592-R595 IonicContact OE2-NE 3.56Å; E592-R595 PolarHBondContact OE2-NE 2.88Å; E592-R595 IonicContact OE2-NH1 2.67Å; E592-R595 PolarHBondContact OE2-NH1 3.29Å; E592-R595 IonicContact OE2-NH2 2.94Å
596	V	88.1	Confident	89.3	Confident	87 Å²	87	84.1 Å²	84.1	53%	0.527	44%	0.442	S	S	.	.			trans	-120.1	142.5	176	-176.7	0	0	0	0	109.3	L559 C594	L559-V596 HydrophobicContact CD2-CB 4.03Å; L559-V596 HydrophobicContact CD2-CG2 3.56Å; C594-V596 PolarHBondContact O-N 2.04Å
597	T	89.6	Confident	89.4	Confident	122 Å²	122	83.7 Å²	83.7	75%	0.748	45%	0.445	S	S	*	.			trans	-82.1	121.3	176.7	-52.8	0	0	0	0	109.7	Q599	T597-Q599 PolarHBondContact O-N 2.8Å
598	V	91.7	Very high	89.6	Confident	62 Å²	62	81.3 Å²	81.3	38%	0.376	44%	0.437	S	S	.	.			trans	-65.9	128.4	177.5	-178.6	0	0	0	0	110.2	S239 P256	S239-V598 WeakPolarHBondContact O-CG1 3.36Å; P256-V598 HydrophobicContact CG-CG1 4.14Å; P256-V598 HydrophobicContact CG-CG2 4.34Å
599	Q	93.5	Very high	89.9	Confident	104 Å²	104	77.7 Å²	77.7	49%	0.486	41%	0.414	S	S	.	.			trans	-103.2	112.5	173.6	-63.2	-176.7	12.5	0	0	109.5	G238 S239 T597 A601	G238-Q599 PolarHBondContact O-N 3.41Å; S239-Q599 WeakPolarHBondContact CA-O 3.16Å; S239-Q599 WeakPolarHBondContact CB-O 3.11Å; T597-Q599 PolarHBondContact O-N 2.8Å; Q599-A601 PolarHBondContact O-N 2.94Å
600	P	92.6	Very high	90.2	Very high	107 Å²	107	79.5 Å²	79.5	70%	0.695	41%	0.412	S	S	*	.			trans	-54.9	138.9	179.9	-25.6	33.9	0	0	0	112	Q602	P600-Q602 PolarHBondContact O-N 3.06Å
601	A	92.8	Very high	90.6	Very high	21 Å²	21	75.3 Å²	75.3	17%	0.174	39%	0.392	C	S	.	.			trans	-61.2	130.6	177.2	0	0	0	0	0	110.7	R241 P331 Q599	R241-A601 VanDerWaalsContact CZ-CB 3.42Å; R241-A601 VanDerWaalsContact NH2-CB 3.26Å; P331-A601 HydrophobicContact CB-CB 4.01Å; P331-A601 HydrophobicContact CG-CB 4.45Å; Q599-A601 PolarHBondContact O-N 2.94Å
602	Q	92.7	Very high	90.7	Very high	160 Å²	160	75.1 Å²	75.1	75%	0.748	39%	0.391	S	S	*	.			trans	-105.6	153.9	-178.1	-63.2	-170.8	-9.9	0	0	111.5	P600	P600-Q602 PolarHBondContact O-N 3.06Å
603	T	92.9	Very high	90.8	Very high	66 Å²	66	78.6 Å²	78.6	41%	0.405	40%	0.399	S	S	.	.			trans	-63.5	149	170	50.6	0	0	0	0	110.9	T605	T603-T605 WeakPolarHBondContact O-CG2 3.28Å; T603-T605 PolarHBondContact O-N 3.49Å
604	L	91.3	Very high	90.9	Very high	17 Å²	17	75.8 Å²	75.8	9%	0.089	39%	0.387	C	S	.	.			trans	-58.4	124.3	177.8	-69.1	171.3	0	0	0	112.2	T325 V326 S609 Y617	T325-L604 HydrophobicContact CG2-CD1 4.3Å; V326-L604 HydrophobicContact CG1-CD1 3.62Å; V326-L604 HydrophobicContact CG1-CD2 4.1Å; V326-L604 HydrophobicContact CG1-CG 3.78Å; L604-S609 WeakPolarHBondContact CB-OG 3.03Å; L604-Y617 VanDerWaalsContact CD1-OH 3.28Å; L604-Y617 WeakPolarHBondContact CD1-OH 3.29Å
605	T	88.6	Confident	91.1	Very high	98 Å²	98	76.3 Å²	76.3	60%	0.601	39%	0.394	S	S	*	.			trans	-105.1	-7.8	-177.7	52.6	0	0	0	0	113.9	T603	T603-T605 WeakPolarHBondContact O-CG2 3.28Å; T603-T605 PolarHBondContact O-N 3.49Å
606	S	89.1	Confident	91.3	Very high	35 Å²	35	72.5 Å²	72.5	25%	0.245	38%	0.38	C	S	.	.			trans	-61	143.3	-177.1	67.4	0	0	0	0	112.3	C608 S609 R610	S606-C608 PolarHBondContact O-N 2.71Å; S606-S609 WeakPolarHBondContact O-CB 2.98Å; S606-S609 PolarHBondContact O-N 3.04Å; S606-S609 VanDerWaalsContact O-N 3.07Å; S606-S609 WeakPolarHBondContact OG-CB 3.08Å; S606-S609 PolarHBondContact OG-N 3.15Å; S606-R610 PolarHBondContact O-N 3.13Å
607	D	88.8	Confident	91.6	Very high	102 Å²	102	68.6 Å²	68.6	55%	0.545	36%	0.356	S	S	.	.	H	α-helix	trans	-58.2	-39.8	179.2	-70.1	-36.2	0	0	0	111.3	S609 R610 L611 F633	D607-S609 PolarHBondContact O-N 3.26Å; D607-R610 PolarHBondContact O-N 2.81Å; D607-R610 VanDerWaalsContact O-N 3.1Å; D607-L611 HydrophobicContact CB-CD1 4.34Å; D607-L611 WeakPolarHBondContact O-CB 3.41Å; D607-L611 VanDerWaalsContact O-CG 3.23Å; D607-L611 WeakPolarHBondContact O-CG 3.47Å; D607-L611 PolarHBondContact O-N 3.07Å; D607-F633 HydrophobicContact CB-CZ 4.43Å
608	C	89.1	Confident	91.9	Very high	6 Å²	6	62.8 Å²	62.8	4%	0.041	32%	0.321	C	S	.	.	H	α-helix	trans	-62.4	-43.4	176.8	-153.5	0	0	0	0	111.8	S606 R610 L611 C612 Y617 G621	S606-C608 PolarHBondContact O-N 2.71Å; C608-R610 VanDerWaalsContact C-N 3.28Å; C608-R610 PolarHBondContact O-N 3.1Å; C608-L611 PolarHBondContact O-N 3.15Å; C608-C612 WeakPolarHBondContact O-CB 3.27Å; C608-C612 PolarHBondContact O-N 3.2Å; C608-Y617 HydrophobicContact CB-CG 4.45Å; C608-Y617 WeakPolarHBondContact SG-CB 3.5Å; C608-G621 VanDerWaalsContact CB-O 3.25Å; C608-G621 WeakPolarHBondContact CB-O 3.34Å; C608-G621 PolarHBondContact SG-O 3.15Å
609	S	90.4	Very high	92	Very high	1 Å²	1	60.1 Å²	60.1	1%	0.007	30%	0.304	C	S	.	.	H	α-helix	trans	-61.1	-35.3	173.4	-177.7	0	0	0	0	112.3	R328 L604 S606 D607	R328-S609 WeakPolarHBondContact CD-O 3.3Å; R328-S609 WeakPolarHBondContact CG-OG 3.37Å; R328-S609 PolarHBondContact NE-O 3.03Å; R328-S609 VanDerWaalsContact NE-O 3.14Å; R328-S609 PolarHBondContact NH1-O 2.74Å; L604-S609 WeakPolarHBondContact CB-OG 3.03Å; S606-S609 WeakPolarHBondContact O-CB 2.98Å; S606-S609 PolarHBondContact O-N 3.04Å; S606-S609 VanDerWaalsContact O-N 3.07Å; S606-S609 WeakPolarHBondContact OG-CB 3.08Å; S606-S609 PolarHBondContact OG-N 3.15Å; D607-S609 PolarHBondContact O-N 3.26Å
610	R	89.8	Confident	92	Very high	160 Å²	160	58.3 Å²	58.3	60%	0.604	30%	0.301	S	S	*	.	H	α-helix	trans	-77	-41.9	178.9	-74.5	175.4	58.7	-172.2	-2.9	113.6	S606 D607 C608	S606-R610 PolarHBondContact O-N 3.13Å; D607-R610 PolarHBondContact O-N 2.81Å; D607-R610 VanDerWaalsContact O-N 3.1Å; C608-R610 VanDerWaalsContact C-N 3.28Å; C608-R610 PolarHBondContact O-N 3.1Å
611	L	93.4	Very high	92	Very high	37 Å²	37	55 Å²	55	19%	0.194	29%	0.285	C	S	.	.	H	α-helix	trans	-101.7	-33.7	-163.3	-50.4	178	0	0	0	113.3	D607 C608 R613 F633	D607-L611 HydrophobicContact CB-CD1 4.34Å; D607-L611 WeakPolarHBondContact O-CB 3.41Å; D607-L611 VanDerWaalsContact O-CG 3.23Å; D607-L611 WeakPolarHBondContact O-CG 3.47Å; D607-L611 PolarHBondContact O-N 3.07Å; C608-L611 PolarHBondContact O-N 3.15Å; L611-R613 PolarHBondContact O-N 3.5Å; L611-R613 VanDerWaalsContact O-N 3.17Å; L611-F633 HydrophobicContact CB-CB 3.9Å; L611-F633 HydrophobicContact CB-CD1 3.72Å; L611-F633 HydrophobicContact CB-CD2 4.09Å; L611-F633 HydrophobicContact CB-CE1 4.25Å; L611-F633 HydrophobicContact CB-CG 3.62Å; L611-F633 HydrophobicContact CD1-CD1 4.31Å; L611-F633 HydrophobicContact CD1-CD2 3.78Å; L611-F633 HydrophobicContact CD1-CE1 4.13Å; L611-F633 HydrophobicContact CD1-CE2 3.58Å; L611-F633 HydrophobicContact CD1-CG 4.14Å; L611-F633 HydrophobicContact CD1-CZ 3.76Å
612	C	93.7	Very high	92	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.297	C	S	.	.			trans	-76.8	96.3	-178.7	-171.7	0	0	0	0	110.2	R328 C608 Y616 C623	R328-C612 VanDerWaalsContact CZ-O 3.29Å; R328-C612 PolarHBondContact NH1-O 3.13Å; R328-C612 PolarHBondContact NH2-O 2.66Å; C608-C612 WeakPolarHBondContact O-CB 3.27Å; C608-C612 PolarHBondContact O-N 3.2Å; C612-Y616 PolarHBondContact SG-O 3.47Å; C612-C623 HydrophobicContact CB-CB 3.76Å; C612-C623 WeakPolarHBondContact CB-SG 3.46Å; C612-C623 WeakPolarHBondContact SG-CB 3.43Å; C612-C623 CovalentContact SG-SG 2.02Å; C612-C623 PolarHBondContact SG-SG 3.26Å
613	R	90.9	Very high	92.2	Very high	192 Å²	192	51.6 Å²	51.6	73%	0.725	27%	0.266	S	S	*	.			trans	-111.6	-33.6	-177.8	-68.6	-172.2	-179.7	-173.4	-0	114.2	L611 G615	L611-R613 PolarHBondContact O-N 3.5Å; L611-R613 VanDerWaalsContact O-N 3.17Å; R613-G615 PolarHBondContact O-N 3.28Å
614	N	93.2	Very high	92.3	Very high	53 Å²	53	48.6 Å²	48.6	28%	0.283	25%	0.248	S	C	.	.	S	Bend	trans	-101.4	59.6	-178.8	-51	-55.3	0	0	0	110.5	S626 W629 C634	N614-S626 PolarHBondContact O-N 2.77Å; N614-W629 HydrophobicContact CB-CB 4.31Å; N614-W629 HydrophobicContact CB-CD2 3.5Å; N614-W629 VanDerWaalsContact CB-CD2 3.5Å; N614-W629 HydrophobicContact CB-CE3 4.02Å; N614-W629 HydrophobicContact CB-CG 3.63Å; N614-W629 HydrophobicContact CB-CZ2 4.23Å; N614-W629 VanDerWaalsContact ND2-CE3 3.26Å; N614-W629 WeakPolarHBondContact ND2-CH2 2.8Å; N614-W629 WeakPolarHBondContact ND2-CZ3 3.25Å; N614-C634 HydrophobicContact CB-CB 4.34Å; N614-C634 WeakPolarHBondContact CB-O 2.98Å; N614-C634 PolarHBondContact ND2-O 2.02Å; N614-C634 VanDerWaalsContact O-CB 3.29Å; N614-C634 WeakPolarHBondContact O-CB 3.02Å
615	G	92.6	Very high	92.5	Very high	21 Å²	21	50.1 Å²	50.1	22%	0.216	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164.9	-168.9	-171.8	0	0	0	0	0	110.9	R613 C624 S626	R613-G615 PolarHBondContact O-N 3.28Å; G615-C624 CarbonylContact C-O 3.51Å; G615-C624 WeakPolarHBondContact CA-O 3.4Å; G615-S626 PolarHBondContact N-OG 2.81Å
616	Y	93.6	Very high	92.8	Very high	71 Å²	71	48 Å²	48	28%	0.278	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	164.6	170.9	67.5	-87.7	0	0	0	109.3	C402 C612 C624	C402-Y616 WeakPolarHBondContact CA-OH 3.47Å; C402-Y616 PolarHBondContact O-OH 3.33Å; C612-Y616 PolarHBondContact SG-O 3.47Å; Y616-C624 HydrophobicContact CD1-CB 4.01Å; Y616-C624 HydrophobicContact CD2-CB 4.13Å; Y616-C624 HydrophobicContact CE1-CB 3.56Å; Y616-C624 HydrophobicContact CE2-CB 3.69Å; Y616-C624 HydrophobicContact CG-CB 4.28Å; Y616-C624 PolarHBondContact N-O 3.13Å; Y616-C624 PolarHBondContact O-N 3.13Å
617	Y	93.9	Very high	93	Very high	5 Å²	5	52.3 Å²	52.3	2%	0.02	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	141.7	173.5	65	-95.4	0	0	0	111.5	N296 K298 T325 L604 C608 K622	N296-Y617 VanDerWaalsContact O-CE2 3.28Å; N296-Y617 WeakPolarHBondContact O-CE2 3.49Å; N296-Y617 PolarHBondContact O-OH 2.81Å; K298-Y617 WeakPolarHBondContact CE-O 3.34Å; K298-Y617 PolarHBondContact NZ-O 3.49Å; T325-Y617 HydrophobicContact CG2-CE1 4.02Å; T325-Y617 HydrophobicContact CG2-CE2 4.41Å; T325-Y617 WeakPolarHBondContact CG2-OH 3.4Å; L604-Y617 VanDerWaalsContact CD1-OH 3.28Å; L604-Y617 WeakPolarHBondContact CD1-OH 3.29Å; C608-Y617 HydrophobicContact CB-CG 4.45Å; C608-Y617 WeakPolarHBondContact SG-CB 3.5Å; Y617-K622 CarbonylContact C-O 3.59Å; Y617-K622 WeakPolarHBondContact CA-O 3.4Å; Y617-K622 WeakPolarHBondContact CB-O 3.43Å
618	T	94.8	Very high	93.2	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.006	26%	0.263	C	S	.	.			trans	-72.9	161.5	178.3	63.6	0	0	0	0	110.6	T399 T620 G621 K622	T399-T618 VanDerWaalsContact O-CB 3.22Å; T399-T618 WeakPolarHBondContact O-CB 3.01Å; T399-T618 VanDerWaalsContact O-CG2 3.24Å; T399-T618 WeakPolarHBondContact O-CG2 3.41Å; T618-T620 PolarHBondContact O-N 3.24Å; T618-T620 VanDerWaalsContact O-N 3.17Å; T618-T620 PolarHBondContact OG1-OG1 3.28Å; T618-G621 PolarHBondContact O-N 3.44Å; T618-G621 PolarHBondContact OG1-N 3.23Å; T618-K622 HydrophobicContact CG2-CB 4.26Å; T618-K622 PolarHBondContact N-O 2.91Å; T618-K622 WeakPolarHBondContact OG1-CB 3.4Å; T618-K622 PolarHBondContact OG1-N 2.65Å; T618-K622 PolarHBondContact OG1-O 3.25Å
619	P	94.4	Very high	93.5	Very high	5 Å²	5	50.8 Å²	50.8	3%	0.032	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-28.2	174.9	-29.4	39.7	0	0	0	114.6	N296 K298 Y300 V397 D398 G621	N296-P619 PolarHBondContact ND2-O 3.21Å; K298-P619 HydrophobicContact CG-CB 4.39Å; K298-P619 HydrophobicContact CG-CG 4.29Å; Y300-P619 VanDerWaalsContact OH-CG 3.27Å; Y300-P619 WeakPolarHBondContact OH-CG 3.48Å; V397-P619 HydrophobicContact CB-CG 4.46Å; V397-P619 HydrophobicContact CG2-CG 4.39Å; V397-P619 WeakPolarHBondContact O-CD 3.41Å; V397-P619 VanDerWaalsContact O-CG 3.3Å; V397-P619 WeakPolarHBondContact O-CG 3Å; D398-P619 WeakPolarHBondContact OD1-CB 3.49Å; P619-G621 VanDerWaalsContact C-N 3.35Å
620	T	93.8	Very high	93.7	Very high	67 Å²	67	54.5 Å²	54.5	41%	0.411	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-14.6	174.9	55.4	0	0	0	0	114.2	D398 D400 T618	D398-T620 HydrophobicContact CB-CG2 3.76Å; D398-T620 WeakPolarHBondContact O-CG2 3.21Å; D400-T620 PolarHBondContact OD1-OG1 3.41Å; T618-T620 PolarHBondContact O-N 3.24Å; T618-T620 VanDerWaalsContact O-N 3.17Å; T618-T620 PolarHBondContact OG1-OG1 3.28Å
621	G	91.8	Very high	93.8	Very high	36 Å²	36	48.6 Å²	48.6	37%	0.371	28%	0.276	S	S	.	.	S	Bend	trans	98.2	10.3	177.7	0	0	0	0	0	115.3	C608 T618 P619	C608-G621 VanDerWaalsContact CB-O 3.25Å; C608-G621 WeakPolarHBondContact CB-O 3.34Å; C608-G621 PolarHBondContact SG-O 3.15Å; T618-G621 PolarHBondContact O-N 3.44Å; T618-G621 PolarHBondContact OG1-N 3.23Å; P619-G621 VanDerWaalsContact C-N 3.35Å
622	K	94.2	Very high	93.7	Very high	96 Å²	96	53.7 Å²	53.7	42%	0.417	30%	0.303	S	S	.	.			trans	-76.5	139.1	171.5	-174.9	173.5	177.2	177	0	111	D400 Y617 T618	D400-K622 HydrophobicContact CB-CD 3.66Å; D400-K622 WeakPolarHBondContact O-CD 3.29Å; D400-K622 VanDerWaalsContact O-CE 3.25Å; D400-K622 WeakPolarHBondContact O-CE 3.32Å; D400-K622 PolarHBondContact O-NZ 2.87Å; Y617-K622 CarbonylContact C-O 3.59Å; Y617-K622 WeakPolarHBondContact CA-O 3.4Å; Y617-K622 WeakPolarHBondContact CB-O 3.43Å; T618-K622 HydrophobicContact CG2-CB 4.26Å; T618-K622 PolarHBondContact N-O 2.91Å; T618-K622 WeakPolarHBondContact OG1-CB 3.4Å; T618-K622 PolarHBondContact OG1-N 2.65Å; T618-K622 PolarHBondContact OG1-O 3.25Å
623	C	95.4	Very high	93.8	Very high	15 Å²	15	56.7 Å²	56.7	10%	0.101	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	121.4	176.4	-173.4	0	0	0	0	110.6	C612 D632 F633 C634	C612-C623 HydrophobicContact CB-CB 3.76Å; C612-C623 WeakPolarHBondContact CB-SG 3.46Å; C612-C623 WeakPolarHBondContact SG-CB 3.43Å; C612-C623 CovalentContact SG-SG 2.02Å; C612-C623 PolarHBondContact SG-SG 3.26Å; C623-D632 WeakPolarHBondContact CB-O 3.42Å; C623-F633 HydrophobicContact CB-CD1 4.39Å; C623-F633 VanDerWaalsContact SG-C 3.58Å; C623-C634 PolarHBondContact SG-SG 3.36Å
624	C	95.4	Very high	94	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.014	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	117	177.7	-70.7	0	0	0	0	110.1	C402 G615 Y616	C402-C624 WeakPolarHBondContact CA-SG 3.45Å; C402-C624 HydrophobicContact CB-CB 3.58Å; C402-C624 WeakPolarHBondContact CB-SG 3.5Å; C402-C624 WeakPolarHBondContact SG-CA 3.38Å; C402-C624 WeakPolarHBondContact SG-CB 3.47Å; C402-C624 CovalentContact SG-SG 2.04Å; C402-C624 PolarHBondContact SG-SG 3.41Å; G615-C624 CarbonylContact C-O 3.51Å; G615-C624 WeakPolarHBondContact CA-O 3.4Å; Y616-C624 HydrophobicContact CD1-CB 4.01Å; Y616-C624 HydrophobicContact CD2-CB 4.13Å; Y616-C624 HydrophobicContact CE1-CB 3.56Å; Y616-C624 HydrophobicContact CE2-CB 3.69Å; Y616-C624 HydrophobicContact CG-CB 4.28Å; Y616-C624 PolarHBondContact N-O 3.13Å; Y616-C624 PolarHBondContact O-N 3.13Å
625	C	96	Very high	94	Very high	50 Å²	50	52 Å²	52	34%	0.338	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	141.9	-169.9	-55.9	0	0	0	0	113.5	W629 C634	C625-W629 HydrophobicContact CB-CB 4.12Å; C625-W629 WeakPolarHBondContact CB-O 3.3Å; C625-C634 WeakPolarHBondContact CA-SG 3.49Å; C625-C634 HydrophobicContact CB-CB 3.71Å; C625-C634 WeakPolarHBondContact CB-SG 3.39Å; C625-C634 PolarHBondContact N-SG 3.43Å; C625-C634 WeakPolarHBondContact SG-CA 3.18Å; C625-C634 WeakPolarHBondContact SG-CB 3.17Å; C625-C634 CovalentContact SG-SG 2.02Å; C625-C634 PolarHBondContact SG-SG 3.13Å
626	S	94.4	Very high	94.1	Very high	52 Å²	52	55.5 Å²	55.5	36%	0.364	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-64.9	156.4	164.4	-59.7	0	0	0	0	110.7	N614 G615 G628 W629	N614-S626 PolarHBondContact O-N 2.77Å; G615-S626 PolarHBondContact N-OG 2.81Å; S626-G628 PolarHBondContact O-N 3.38Å; S626-W629 PolarHBondContact O-N 3.49Å; S626-W629 VanDerWaalsContact O-N 3.13Å
627	P	94.1	Very high	94.1	Very high	126 Å²	126	52.6 Å²	52.6	82%	0.818	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	132.5	177.3	-28.5	35.6	0	0	0	112.5
628	G	93.3	Very high	94.1	Very high	27 Å²	27	56.9 Å²	56.9	28%	0.278	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.2	9.8	-179.1	0	0	0	0	0	115.8	S626 K638 P652	S626-G628 PolarHBondContact O-N 3.38Å; G628-K638 WeakPolarHBondContact O-CB 3.45Å; G628-K638 PolarHBondContact O-N 2.04Å; G628-P652 WeakPolarHBondContact O-CG 3.39Å
629	W	95.1	Very high	94.1	Very high	49 Å²	49	57.9 Å²	57.9	19%	0.186	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	154.8	173.5	-64.9	89.8	0	0	0	112.1	N614 C625 S626 C634 R635 I636 A637 P652	N614-W629 HydrophobicContact CB-CB 4.31Å; N614-W629 HydrophobicContact CB-CD2 3.5Å; N614-W629 VanDerWaalsContact CB-CD2 3.5Å; N614-W629 HydrophobicContact CB-CE3 4.02Å; N614-W629 HydrophobicContact CB-CG 3.63Å; N614-W629 HydrophobicContact CB-CZ2 4.23Å; N614-W629 VanDerWaalsContact ND2-CE3 3.26Å; N614-W629 WeakPolarHBondContact ND2-CH2 2.8Å; N614-W629 WeakPolarHBondContact ND2-CZ3 3.25Å; C625-W629 HydrophobicContact CB-CB 4.12Å; C625-W629 WeakPolarHBondContact CB-O 3.3Å; S626-W629 PolarHBondContact O-N 3.49Å; S626-W629 VanDerWaalsContact O-N 3.13Å; W629-C634 HydrophobicContact CB-CB 4.2Å; W629-R635 WeakPolarHBondContact CZ3-O 3.01Å; W629-I636 CarbonylContact C-O 3.46Å; W629-I636 WeakPolarHBondContact CA-O 3.48Å; W629-A637 HydrophobicContact CE3-CB 4.13Å; W629-A637 HydrophobicContact CH2-CB 4.31Å; W629-A637 HydrophobicContact CZ3-CB 3.93Å; W629-P652 HydrophobicContact CD2-CG 4.41Å; W629-P652 HydrophobicContact CG-CG 4.46Å; W629-P652 HydrophobicContact CZ2-CG 4.26Å
630	E	94	Very high	93.9	Very high	79 Å²	79	65.8 Å²	65.8	37%	0.369	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	-178	178	70.7	178.6	169.2	0	0	114.1	C634 R635 I636 K638	E630-C634 CarbonylContact O-C 3.56Å; E630-C634 VanDerWaalsContact O-CA 3.27Å; E630-C634 WeakPolarHBondContact O-CA 3.42Å; E630-R635 PolarHBondContact O-N 2.9Å; E630-I636 HydrophobicContact CG-CB 3.87Å; E630-I636 HydrophobicContact CG-CG2 3.95Å; E630-I636 PolarHBondContact N-O 3.41Å; E630-I636 PolarHBondContact O-N 3.12Å; E630-I636 VanDerWaalsContact O-N 3.08Å; E630-K638 HydrophobicContact CB-CD 4.29Å; E630-K638 HydrophobicContact CB-CG 4.25Å; E630-K638 HydrophobicContact CG-CD 4.47Å; E630-K638 HydrophobicContact CG-CG 3.96Å; E630-K638 WeakPolarHBondContact OE2-CE 3.27Å; E630-K638 IonicContact OE2-NZ 3.44Å; E630-K638 PolarHBondContact OE2-NZ 3.39Å
631	G	92.6	Very high	93.8	Very high	36 Å²	36	66.5 Å²	66.5	37%	0.371	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.3	168.1	-171.8	0	0	0	0	0	112.2	F633 C634	G631-F633 PolarHBondContact O-N 2.9Å; G631-C634 PolarHBondContact O-N 2.82Å
632	D	91.6	Very high	93.9	Very high	144 Å²	144	68 Å²	68	77%	0.77	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-26.5	-170.5	-55.1	-35.5	0	0	0	114.6	C623	C623-D632 WeakPolarHBondContact CB-O 3.42Å
633	F	94.7	Very high	93.9	Very high	63 Å²	63	64.9 Å²	64.9	28%	0.276	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.6	20.8	178.2	-61.2	-71.8	0	0	0	113.6	D607 L611 C623 G631 R635	D607-F633 HydrophobicContact CB-CZ 4.43Å; L611-F633 HydrophobicContact CB-CB 3.9Å; L611-F633 HydrophobicContact CB-CD1 3.72Å; L611-F633 HydrophobicContact CB-CD2 4.09Å; L611-F633 HydrophobicContact CB-CE1 4.25Å; L611-F633 HydrophobicContact CB-CG 3.62Å; L611-F633 HydrophobicContact CD1-CD1 4.31Å; L611-F633 HydrophobicContact CD1-CD2 3.78Å; L611-F633 HydrophobicContact CD1-CE1 4.13Å; L611-F633 HydrophobicContact CD1-CE2 3.58Å; L611-F633 HydrophobicContact CD1-CG 4.14Å; L611-F633 HydrophobicContact CD1-CZ 3.76Å; C623-F633 HydrophobicContact CB-CD1 4.39Å; C623-F633 VanDerWaalsContact SG-C 3.58Å; G631-F633 PolarHBondContact O-N 2.9Å; F633-R635 VanDerWaalsContact C-N 3.3Å; F633-R635 HydrophobicContact CB-CG 4.31Å; F633-R635 PolarHBondContact O-N 2.99Å
634	C	95.4	Very high	93.8	Very high	0 Å²	0	71.5 Å²	71.5	0%	0	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	41.2	176.8	-48.1	0	0	0	0	113.5	N614 C623 C625 W629 E630 G631	N614-C634 HydrophobicContact CB-CB 4.34Å; N614-C634 WeakPolarHBondContact CB-O 2.98Å; N614-C634 PolarHBondContact ND2-O 2.02Å; N614-C634 VanDerWaalsContact O-CB 3.29Å; N614-C634 WeakPolarHBondContact O-CB 3.02Å; C623-C634 PolarHBondContact SG-SG 3.36Å; C625-C634 WeakPolarHBondContact CA-SG 3.49Å; C625-C634 HydrophobicContact CB-CB 3.71Å; C625-C634 WeakPolarHBondContact CB-SG 3.39Å; C625-C634 PolarHBondContact N-SG 3.43Å; C625-C634 WeakPolarHBondContact SG-CA 3.18Å; C625-C634 WeakPolarHBondContact SG-CB 3.17Å; C625-C634 CovalentContact SG-SG 2.02Å; C625-C634 PolarHBondContact SG-SG 3.13Å; W629-C634 HydrophobicContact CB-CB 4.2Å; E630-C634 CarbonylContact O-C 3.56Å; E630-C634 VanDerWaalsContact O-CA 3.27Å; E630-C634 WeakPolarHBondContact O-CA 3.42Å; G631-C634 PolarHBondContact O-N 2.82Å
635	R	93.9	Very high	93.6	Very high	146 Å²	146	75.6 Å²	75.6	55%	0.551	41%	0.407	S	S	*	.			trans	-95.7	-21.6	-178.5	-70.2	-178.3	171.4	-165.8	-12	113.3	W629 E630 F633	W629-R635 WeakPolarHBondContact CZ3-O 3.01Å; E630-R635 PolarHBondContact O-N 2.9Å; F633-R635 VanDerWaalsContact C-N 3.3Å; F633-R635 HydrophobicContact CB-CG 4.31Å; F633-R635 PolarHBondContact O-N 2.99Å
636	I	92.9	Very high	93.3	Very high	96 Å²	96	75.5 Å²	75.5	49%	0.492	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	125.6	-177	-56.1	172.7	0	0	0	107.1	W629 E630	W629-I636 CarbonylContact C-O 3.46Å; W629-I636 WeakPolarHBondContact CA-O 3.48Å; E630-I636 HydrophobicContact CG-CB 3.87Å; E630-I636 HydrophobicContact CG-CG2 3.95Å; E630-I636 PolarHBondContact N-O 3.41Å; E630-I636 PolarHBondContact O-N 3.12Å; E630-I636 VanDerWaalsContact O-N 3.08Å
637	A	94.6	Very high	93.2	Very high	9 Å²	9	73.6 Å²	73.6	7%	0.074	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	140.7	175	0	0	0	0	0	110.3	W629 C649 R651	W629-A637 HydrophobicContact CE3-CB 4.13Å; W629-A637 HydrophobicContact CH2-CB 4.31Å; W629-A637 HydrophobicContact CZ3-CB 3.93Å; A637-C649 PolarHBondContact O-SG 3.5Å; A637-R651 VanDerWaalsContact CB-C 3.45Å
638	K	94.3	Very high	93.2	Very high	95 Å²	95	71.9 Å²	71.9	41%	0.413	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-91.7	132.7	173.7	-71.3	-178.4	156.8	162.5	0	110.5	G628 E630 P652 N653	G628-K638 WeakPolarHBondContact O-CB 3.45Å; G628-K638 PolarHBondContact O-N 2.04Å; E630-K638 HydrophobicContact CB-CD 4.29Å; E630-K638 HydrophobicContact CB-CG 4.25Å; E630-K638 HydrophobicContact CG-CD 4.47Å; E630-K638 HydrophobicContact CG-CG 3.96Å; E630-K638 WeakPolarHBondContact OE2-CE 3.27Å; E630-K638 IonicContact OE2-NZ 3.44Å; E630-K638 PolarHBondContact OE2-NZ 3.39Å; K638-P652 WeakPolarHBondContact O-CA 3.28Å; K638-N653 PolarHBondContact O-N 3.29Å
639	C	93.4	Very high	93.2	Very high	22 Å²	22	72.3 Å²	72.3	15%	0.149	39%	0.388	C	S	.	.			trans	-125.1	118.9	171.6	-72.9	0	0	0	0	108.3	P641 A642 C649 N653 K654	C639-P641 CarbonylContact C-O 3.49Å; C639-P641 CarbonylContact O-C 3.3Å; C639-P641 VanDerWaalsContact O-C 3.29Å; C639-A642 WeakPolarHBondContact O-CA 3.09Å; C639-A642 PolarHBondContact O-N 2.95Å; C639-C649 HydrophobicContact CB-CB 3.84Å; C639-C649 WeakPolarHBondContact CB-SG 3.48Å; C639-C649 PolarHBondContact N-SG 2.93Å; C639-C649 VanDerWaalsContact N-SG 3.36Å; C639-C649 WeakPolarHBondContact SG-CB 3.32Å; C639-C649 CovalentContact SG-SG 2.04Å; C639-C649 PolarHBondContact SG-SG 2.94Å; C639-N653 WeakPolarHBondContact CA-OD1 3.36Å; C639-K654 PolarHBondContact SG-N 2.99Å; C639-K654 VanDerWaalsContact SG-N 3.43Å
640	E	91.8	Very high	93.2	Very high	172 Å²	172	73.1 Å²	73.1	80%	0.804	40%	0.398	S	S	*	.	S	Bend	trans	-128.6	109.4	178.3	-161.8	159.9	-160.7	0	0	109.2	N653	E640-N653 PolarHBondContact N-OD1 3.36Å
641	P	91.5	Very high	93.1	Very high	81 Å²	81	76.7 Å²	76.7	53%	0.526	41%	0.408	S	S	.	.	S	Bend	cis	-68.7	158.7	1.1	-16.4	31	0	0	0	114.5	C639 Q665	C639-P641 CarbonylContact C-O 3.49Å; C639-P641 CarbonylContact O-C 3.3Å; C639-P641 VanDerWaalsContact O-C 3.29Å; P641-Q665 HydrophobicContact CB-CG 4.43Å
642	A	93.3	Very high	93.1	Very high	69 Å²	69	77.3 Å²	77.3	57%	0.57	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-63.3	150.4	-179.8	0	0	0	0	0	113.2	C639	C639-A642 WeakPolarHBondContact O-CA 3.09Å; C639-A642 PolarHBondContact O-N 2.95Å
643	C	93.6	Very high	93.2	Very high	29 Å²	29	75.6 Å²	75.6	20%	0.196	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-64.2	134.1	175.4	-53.5	0	0	0	0	111.5	G647 C655	C643-G647 WeakPolarHBondContact CB-O 3.32Å; C643-C655 WeakPolarHBondContact CA-SG 3.39Å; C643-C655 HydrophobicContact CB-CB 3.74Å; C643-C655 WeakPolarHBondContact CB-SG 3.23Å; C643-C655 WeakPolarHBondContact SG-CA 3.26Å; C643-C655 WeakPolarHBondContact SG-CB 3.48Å; C643-C655 CovalentContact SG-SG 2.02Å; C643-C655 PolarHBondContact SG-SG 2.98Å
644	R	93.5	Very high	93.2	Very high	155 Å²	155	78.2 Å²	78.2	59%	0.585	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-101.5	169.9	-177.7	-62.7	-170.7	173.4	-164.3	-1.6	112	G646 G647 Q665 C666	R644-G646 VanDerWaalsContact C-N 3.25Å; R644-G646 PolarHBondContact O-N 2.75Å; R644-G646 VanDerWaalsContact O-N 3.14Å; R644-G647 PolarHBondContact O-N 3.23Å; R644-Q665 WeakPolarHBondContact CB-O 3.3Å; R644-Q665 PolarHBondContact N-O 2.97Å; R644-C666 WeakPolarHBondContact O-CB 3.06Å
645	H	92.1	Very high	93.1	Very high	88 Å²	88	79.1 Å²	79.1	41%	0.407	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	37.3	173.5	-54.8	116.5	0	0	0	115.1	G647 Y661 C666 E667	H645-G647 PolarHBondContact O-N 3.47Å; H645-Y661 HydrophobicContact CB-CD1 3.34Å; H645-Y661 HydrophobicContact CB-CD2 4Å; H645-Y661 HydrophobicContact CB-CE1 3.31Å; H645-Y661 HydrophobicContact CB-CE2 3.99Å; H645-Y661 HydrophobicContact CB-CG 3.68Å; H645-Y661 AromaticContact CD2-CE1 3.41Å; H645-Y661 VanDerWaalsContact CD2-CE1 3.41Å; H645-Y661 WeakPolarHBondContact CD2-CE1 3.43Å; H645-Y661 AromaticContact CG-CD1 3.33Å; H645-Y661 AromaticContact CG-CE1 3.16Å; H645-Y661 AromaticContact CG-CZ 3.92Å; H645-Y661 AromaticContact ND1-CD1 3.41Å; H645-Y661 WeakPolarHBondContact ND1-CD1 3.28Å; H645-Y661 AromaticContact ND1-CE1 3.62Å; H645-Y661 AromaticContact NE2-CE1 3.98Å; H645-C666 PolarHBondContact ND1-O 3.42Å; H645-E667 PolarHBondContact CE1-O 3.2Å
646	G	89.3	Confident	93.2	Very high	47 Å²	47	77.3 Å²	77.3	49%	0.485	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.3	17	-178.7	0	0	0	0	0	114.2	R644 K658	R644-G646 VanDerWaalsContact C-N 3.25Å; R644-G646 PolarHBondContact O-N 2.75Å; R644-G646 VanDerWaalsContact O-N 3.14Å; G646-K658 WeakPolarHBondContact O-CE 3.41Å
647	G	92.4	Very high	93.2	Very high	13 Å²	13	74.5 Å²	74.5	13%	0.134	40%	0.403	C	S	.	.			trans	-67	149.4	166.6	0	0	0	0	0	111.5	C643 R644 H645 L656	C643-G647 WeakPolarHBondContact CB-O 3.32Å; R644-G647 PolarHBondContact O-N 3.23Å; H645-G647 PolarHBondContact O-N 3.47Å; G647-L656 CarbonylContact C-O 3.51Å; G647-L656 WeakPolarHBondContact CA-O 3.48Å
648	V	94.1	Very high	93.1	Very high	90 Å²	90	80.4 Å²	80.4	55%	0.545	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	131.4	-175.9	-179.7	0	0	0	0	109.8	V650 L656	V648-V650 HydrophobicContact CG1-CG1 4.41Å; V648-V650 PolarHBondContact O-N 3.46Å; V648-V650 VanDerWaalsContact O-N 3.15Å; V648-L656 PolarHBondContact N-O 3.29Å; V648-L656 PolarHBondContact O-N 2.79Å
649	C	94.2	Very high	92.9	Very high	36 Å²	36	85.2 Å²	85.2	24%	0.243	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	105.3	173.9	-169.5	0	0	0	0	109.4	A637 C639 R651	A637-C649 PolarHBondContact O-SG 3.5Å; C639-C649 HydrophobicContact CB-CB 3.84Å; C639-C649 WeakPolarHBondContact CB-SG 3.48Å; C639-C649 PolarHBondContact N-SG 2.93Å; C639-C649 VanDerWaalsContact N-SG 3.36Å; C639-C649 WeakPolarHBondContact SG-CB 3.32Å; C639-C649 CovalentContact SG-SG 2.04Å; C639-C649 PolarHBondContact SG-SG 2.94Å; C649-R651 PolarHBondContact SG-O 3.47Å; C649-R651 VanDerWaalsContact SG-O 3.41Å
650	V	93.8	Very high	92.6	Very high	66 Å²	66	85 Å²	85	40%	0.4	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	-24	-175.2	-69	0	0	0	0	112.8	V648 K654 L656	V648-V650 HydrophobicContact CG1-CG1 4.41Å; V648-V650 PolarHBondContact O-N 3.46Å; V648-V650 VanDerWaalsContact O-N 3.15Å; V650-K654 HydrophobicContact CG2-CG 4.44Å; V650-K654 WeakPolarHBondContact CG2-O 3.36Å; V650-K654 PolarHBondContact N-O 3.48Å; V650-L656 HydrophobicContact CG1-CB 3.69Å; V650-L656 HydrophobicContact CG1-CD2 4.17Å; V650-L656 HydrophobicContact CG2-CB 4.19Å
651	R	91.6	Very high	92.6	Very high	154 Å²	154	80.6 Å²	80.6	58%	0.581	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-150.3	162.3	177.2	-68.7	-173.1	-173.7	145.7	5.1	109	A637 C649 N653 K654	A637-R651 VanDerWaalsContact CB-C 3.45Å; C649-R651 PolarHBondContact SG-O 3.47Å; C649-R651 VanDerWaalsContact SG-O 3.41Å; R651-N653 PolarHBondContact O-N 3.16Å; R651-N653 VanDerWaalsContact O-N 3.12Å; R651-K654 HydrophobicContact CB-CB 4.08Å; R651-K654 PolarHBondContact O-N 3.43Å
652	P	93.9	Very high	92.6	Very high	49 Å²	49	81 Å²	81	32%	0.318	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.1	121.1	177.2	-30.4	34.1	0	0	0	112	G628 W629 K638 K654	G628-P652 WeakPolarHBondContact O-CG 3.39Å; W629-P652 HydrophobicContact CD2-CG 4.41Å; W629-P652 HydrophobicContact CG-CG 4.46Å; W629-P652 HydrophobicContact CZ2-CG 4.26Å; K638-P652 WeakPolarHBondContact O-CA 3.28Å; P652-K654 PolarHBondContact O-N 3.2Å; P652-K654 VanDerWaalsContact O-N 3.13Å
653	N	92.6	Very high	92.4	Very high	108 Å²	108	79 Å²	79	58%	0.578	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	29.3	-178.2	-64.1	-25.8	0	0	0	115.5	K638 C639 E640 R651	K638-N653 PolarHBondContact O-N 3.29Å; C639-N653 WeakPolarHBondContact CA-OD1 3.36Å; E640-N653 PolarHBondContact N-OD1 3.36Å; R651-N653 PolarHBondContact O-N 3.16Å; R651-N653 VanDerWaalsContact O-N 3.12Å
654	K	94.3	Very high	92.3	Very high	117 Å²	117	81.7 Å²	81.7	51%	0.509	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	112.3	176.7	-171	171.6	-174.9	170.2	0	111.8	C639 V650 R651 P652	C639-K654 PolarHBondContact SG-N 2.99Å; C639-K654 VanDerWaalsContact SG-N 3.43Å; V650-K654 HydrophobicContact CG2-CG 4.44Å; V650-K654 WeakPolarHBondContact CG2-O 3.36Å; V650-K654 PolarHBondContact N-O 3.48Å; R651-K654 HydrophobicContact CB-CB 4.08Å; R651-K654 PolarHBondContact O-N 3.43Å; P652-K654 PolarHBondContact O-N 3.2Å; P652-K654 VanDerWaalsContact O-N 3.13Å
655	C	94.6	Very high	92.3	Very high	19 Å²	19	76.7 Å²	76.7	13%	0.128	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	135.8	176.8	-61.1	0	0	0	0	111.9	C643 P664 C666	C643-C655 WeakPolarHBondContact CA-SG 3.39Å; C643-C655 HydrophobicContact CB-CB 3.74Å; C643-C655 WeakPolarHBondContact CB-SG 3.23Å; C643-C655 WeakPolarHBondContact SG-CA 3.26Å; C643-C655 WeakPolarHBondContact SG-CB 3.48Å; C643-C655 CovalentContact SG-SG 2.02Å; C643-C655 PolarHBondContact SG-SG 2.98Å; C655-P664 WeakPolarHBondContact CB-O 3.49Å; C655-C666 VanDerWaalsContact CB-SG 3.54Å
656	L	95.6	Very high	92.3	Very high	109 Å²	109	72.5 Å²	72.5	57%	0.571	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	108.6	164.4	179.5	64.7	0	0	0	108.3	G647 V648 V650	G647-L656 CarbonylContact C-O 3.51Å; G647-L656 WeakPolarHBondContact CA-O 3.48Å; V648-L656 PolarHBondContact N-O 3.29Å; V648-L656 PolarHBondContact O-N 2.79Å; V650-L656 HydrophobicContact CG1-CB 3.69Å; V650-L656 HydrophobicContact CG1-CD2 4.17Å; V650-L656 HydrophobicContact CG2-CB 4.19Å
657	C	93.6	Very high	92.5	Very high	36 Å²	36	72.6 Å²	72.6	24%	0.243	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-81	143.5	-177.6	-52.1	0	0	0	0	111.9	Y661 C666	C657-Y661 WeakPolarHBondContact CB-O 3.47Å; C657-C666 WeakPolarHBondContact CA-SG 2.99Å; C657-C666 HydrophobicContact CB-CB 3.7Å; C657-C666 WeakPolarHBondContact CB-SG 3.36Å; C657-C666 PolarHBondContact N-SG 2.79Å; C657-C666 WeakPolarHBondContact SG-CA 2.98Å; C657-C666 WeakPolarHBondContact SG-CB 3.41Å; C657-C666 CovalentContact SG-SG 2.03Å; C657-C666 PolarHBondContact SG-SG 3.06Å
658	K	91.7	Very high	92.4	Very high	133 Å²	133	77.5 Å²	77.5	58%	0.578	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-67.3	152.3	166.6	-72.5	-169.8	176.3	-174.8	0	110	G646 G660 Y661	G646-K658 WeakPolarHBondContact O-CE 3.41Å; K658-G660 PolarHBondContact O-N 3.02Å; K658-Y661 HydrophobicContact CB-CD2 4.39Å; K658-Y661 PolarHBondContact O-N 2.03Å
659	K	89.9	Confident	92.1	Very high	197 Å²	197	76.8 Å²	76.8	86%	0.857	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	129.6	175.8	-171.3	178.8	-178.5	-179.6	0	109.7	I673	K659-I673 HydrophobicContact CG-CD1 4.23Å
660	G	87.9	Confident	91.5	Very high	16 Å²	16	76.7 Å²	76.7	17%	0.165	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	99.2	-3.9	-174.8	0	0	0	0	0	115.3	K658 D670	K658-G660 PolarHBondContact O-N 3.02Å; G660-D670 WeakPolarHBondContact O-CB 3.49Å; G660-D670 PolarHBondContact O-N 3.21Å
661	Y	91.9	Very high	90.6	Very high	80 Å²	80	83.2 Å²	83.2	31%	0.314	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	145.8	176.4	-60.5	-87.9	0	0	0	111.5	H645 C657 K658 H668 V669	H645-Y661 HydrophobicContact CB-CD1 3.34Å; H645-Y661 HydrophobicContact CB-CD2 4Å; H645-Y661 HydrophobicContact CB-CE1 3.31Å; H645-Y661 HydrophobicContact CB-CE2 3.99Å; H645-Y661 HydrophobicContact CB-CG 3.68Å; H645-Y661 AromaticContact CD2-CE1 3.41Å; H645-Y661 VanDerWaalsContact CD2-CE1 3.41Å; H645-Y661 WeakPolarHBondContact CD2-CE1 3.43Å; H645-Y661 AromaticContact CG-CD1 3.33Å; H645-Y661 AromaticContact CG-CE1 3.16Å; H645-Y661 AromaticContact CG-CZ 3.92Å; H645-Y661 AromaticContact ND1-CD1 3.41Å; H645-Y661 WeakPolarHBondContact ND1-CD1 3.28Å; H645-Y661 AromaticContact ND1-CE1 3.62Å; H645-Y661 AromaticContact NE2-CE1 3.98Å; C657-Y661 WeakPolarHBondContact CB-O 3.47Å; K658-Y661 HydrophobicContact CB-CD2 4.39Å; K658-Y661 PolarHBondContact O-N 2.03Å; Y661-H668 CarbonylContact C-O 3.29Å; Y661-H668 VanDerWaalsContact CA-O 3.23Å; Y661-H668 WeakPolarHBondContact CA-O 3.41Å; Y661-V669 HydrophobicContact CD1-CG2 4.07Å; Y661-V669 HydrophobicContact CE1-CG2 3.77Å
662	L	90.4	Very high	89.4	Confident	89 Å²	89	78.9 Å²	78.9	47%	0.466	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	169.7	-174.4	-65.3	165.3	0	0	0	109.5	C666 E667 H668 D670	L662-C666 CarbonylContact O-C 3.55Å; L662-C666 VanDerWaalsContact O-C 3.3Å; L662-C666 WeakPolarHBondContact O-CA 3.37Å; L662-E667 PolarHBondContact O-N 3.14Å; L662-H668 HydrophobicContact CB-CB 4.49Å; L662-H668 PolarHBondContact N-O 2.71Å; L662-H668 WeakPolarHBondContact O-CA 3.38Å; L662-H668 WeakPolarHBondContact O-CB 3.26Å; L662-H668 PolarHBondContact O-N 3.29Å; L662-D670 HydrophobicContact CD1-CB 3.56Å; L662-D670 VanDerWaalsContact CD1-CG 3.46Å; L662-D670 HydrophobicContact CG-CB 3.91Å
663	G	90	Very high	87.7	Confident	29 Å²	29	80 Å²	80	30%	0.299	40%	0.403	S	S	.	.	S	Bend	trans	100.7	158.3	-179	0	0	0	0	0	112.7	Q665 C666 E667	G663-Q665 PolarHBondContact O-N 2.77Å; G663-C666 PolarHBondContact O-N 2.78Å; G663-E667 VanDerWaalsContact C-OE2 3.3Å; G663-E667 WeakPolarHBondContact CA-OE2 3.41Å
664	P	90.8	Very high	85.8	Confident	84 Å²	84	83.7 Å²	83.7	55%	0.545	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-32.4	-178.4	19.1	-33.2	0	0	0	114.4	C655 E667	C655-P664 WeakPolarHBondContact CB-O 3.49Å; P664-E667 WeakPolarHBondContact CD-OE1 3.33Å; P664-E667 WeakPolarHBondContact CG-OE1 3.4Å
665	Q	93.1	Very high	83.8	Confident	50 Å²	50	87.6 Å²	87.6	23%	0.234	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	17.9	175.2	-61.7	82.2	25.4	0	0	112.7	P641 R644 G663 E667	P641-Q665 HydrophobicContact CB-CG 4.43Å; R644-Q665 WeakPolarHBondContact CB-O 3.3Å; R644-Q665 PolarHBondContact N-O 2.97Å; G663-Q665 PolarHBondContact O-N 2.77Å; Q665-E667 VanDerWaalsContact C-OE2 3.23Å; Q665-E667 VanDerWaalsContact CA-OE2 3.28Å; Q665-E667 WeakPolarHBondContact CA-OE2 3.43Å; Q665-E667 PolarHBondContact N-OE2 3.33Å; Q665-E667 PolarHBondContact O-N 3.17Å
666	C	93.4	Very high	81.8	Confident	1 Å²	1	91.9 Å²	91.9	1%	0.007	45%	0.446	C	S	.	.	S	Bend	trans	59.2	28.5	-174.5	-45.9	0	0	0	0	113.3	R644 H645 C655 C657 L662 G663	R644-C666 WeakPolarHBondContact O-CB 3.06Å; H645-C666 PolarHBondContact ND1-O 3.42Å; C655-C666 VanDerWaalsContact CB-SG 3.54Å; C657-C666 WeakPolarHBondContact CA-SG 2.99Å; C657-C666 HydrophobicContact CB-CB 3.7Å; C657-C666 WeakPolarHBondContact CB-SG 3.36Å; C657-C666 PolarHBondContact N-SG 2.79Å; C657-C666 WeakPolarHBondContact SG-CA 2.98Å; C657-C666 WeakPolarHBondContact SG-CB 3.41Å; C657-C666 CovalentContact SG-SG 2.03Å; C657-C666 PolarHBondContact SG-SG 3.06Å; L662-C666 CarbonylContact O-C 3.55Å; L662-C666 VanDerWaalsContact O-C 3.3Å; L662-C666 WeakPolarHBondContact O-CA 3.37Å; G663-C666 PolarHBondContact O-N 2.78Å
667	E	92.8	Very high	79.7	Confident	49 Å²	49	89.6 Å²	89.6	23%	0.229	44%	0.443	C	S	.	.			trans	-78.6	-20.1	-172.8	70.4	-81.8	-164.2	0	0	113.5	H645 L662 G663 P664 Q665	H645-E667 PolarHBondContact CE1-O 3.2Å; L662-E667 PolarHBondContact O-N 3.14Å; G663-E667 VanDerWaalsContact C-OE2 3.3Å; G663-E667 WeakPolarHBondContact CA-OE2 3.41Å; P664-E667 WeakPolarHBondContact CD-OE1 3.33Å; P664-E667 WeakPolarHBondContact CG-OE1 3.4Å; Q665-E667 VanDerWaalsContact C-OE2 3.23Å; Q665-E667 VanDerWaalsContact CA-OE2 3.28Å; Q665-E667 WeakPolarHBondContact CA-OE2 3.43Å; Q665-E667 PolarHBondContact N-OE2 3.33Å; Q665-E667 PolarHBondContact O-N 3.17Å
668	H	90.8	Very high	77.6	Confident	115 Å²	115	97.4 Å²	97.4	53%	0.532	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	141.2	179.9	-59.7	-53.8	0	0	0	111.4	Y661 L662	Y661-H668 CarbonylContact C-O 3.29Å; Y661-H668 VanDerWaalsContact CA-O 3.23Å; Y661-H668 WeakPolarHBondContact CA-O 3.41Å; L662-H668 HydrophobicContact CB-CB 4.49Å; L662-H668 PolarHBondContact N-O 2.71Å; L662-H668 WeakPolarHBondContact O-CA 3.38Å; L662-H668 WeakPolarHBondContact O-CB 3.26Å; L662-H668 PolarHBondContact O-N 3.29Å
669	V	87.1	Confident	75.7	Confident	76 Å²	76	93.4 Å²	93.4	46%	0.461	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	129.1	169.7	-176.9	0	0	0	0	108.6	Y661 R671	Y661-V669 HydrophobicContact CD1-CG2 4.07Å; Y661-V669 HydrophobicContact CE1-CG2 3.77Å; V669-R671 PolarHBondContact O-N 3.33Å
670	D	82.8	Confident	74	Confident	34 Å²	34	85.7 Å²	85.7	18%	0.182	44%	0.436	C	S	.	.			trans	-67.9	102.2	175	-171	-5.9	0	0	0	110.7	G660 L662 S672 I673	G660-D670 WeakPolarHBondContact O-CB 3.49Å; G660-D670 PolarHBondContact O-N 3.21Å; L662-D670 HydrophobicContact CD1-CB 3.56Å; L662-D670 VanDerWaalsContact CD1-CG 3.46Å; L662-D670 HydrophobicContact CG-CB 3.91Å; D670-S672 PolarHBondContact O-N 3.44Å; D670-S672 VanDerWaalsContact OD1-CB 3.26Å; D670-S672 WeakPolarHBondContact OD1-CB 3.44Å; D670-S672 PolarHBondContact OD1-N 2.97Å; D670-S672 PolarHBondContact OD1-OG 3.36Å; D670-S672 PolarHBondContact OD2-OG 3.05Å; D670-I673 HydrophobicContact CB-CD1 4.18Å
671	R	73	Confident	72.5	Confident	203 Å²	203	90 Å²	90	77%	0.766	45%	0.453	S	S	*	.	H	α-helix	trans	-73.5	-12.6	180	-65.7	-176.4	179.3	-176.6	-0.3	112.8	V669 R674 R675	V669-R671 PolarHBondContact O-N 3.33Å; R671-R674 PolarHBondContact O-N 3.2Å; R671-R675 PolarHBondContact O-N 3.41Å
672	S	67.1	Low	70.7	Confident	63 Å²	63	91.1 Å²	91.1	44%	0.441	47%	0.465	S	S	.	.	H	α-helix	trans	-68.6	-36.9	176.2	73.7	0	0	0	0	111.6	D670 R674 R675 V676	D670-S672 PolarHBondContact O-N 3.44Å; D670-S672 VanDerWaalsContact OD1-CB 3.26Å; D670-S672 WeakPolarHBondContact OD1-CB 3.44Å; D670-S672 PolarHBondContact OD1-N 2.97Å; D670-S672 PolarHBondContact OD1-OG 3.36Å; D670-S672 PolarHBondContact OD2-OG 3.05Å; S672-R674 VanDerWaalsContact C-N 3.33Å; S672-R674 PolarHBondContact O-N 3.33Å; S672-R675 PolarHBondContact O-N 3.4Å; S672-R675 VanDerWaalsContact O-N 3.08Å; S672-V676 PolarHBondContact O-N 3.09Å; S672-V676 VanDerWaalsContact O-N 3.09Å
673	I	59	Low	68.9	Low	71 Å²	71	92 Å²	92	36%	0.364	47%	0.469	S	S	.	.	H	α-helix	trans	-66	-34.3	176.3	-71.5	164	0	0	0	111.5	K659 D670 A677	K659-I673 HydrophobicContact CG-CD1 4.23Å; D670-I673 HydrophobicContact CB-CD1 4.18Å; I673-A677 PolarHBondContact O-N 3.08Å
674	R	53.1	Low	67.2	Low	187 Å²	187	97.1 Å²	97.1	71%	0.706	49%	0.486	S	S	*	.	H	α-helix	trans	-69.5	-31.1	171.5	-89.7	-170.8	176	-171.9	-0.2	113.3	R671 S672 R678	R671-R674 PolarHBondContact O-N 3.2Å; S672-R674 VanDerWaalsContact C-N 3.33Å; S672-R674 PolarHBondContact O-N 3.33Å; R674-R678 PolarHBondContact O-N 3.15Å
675	R	51.9	Low	65.5	Low	199 Å²	199	97.6 Å²	97.6	75%	0.751	48%	0.482	S	S	*	.	H	α-helix	trans	-71.1	-37.8	175.8	-75.7	-175.3	-174.3	171.3	1.5	111.6	R671 S672 R678 A679	R671-R675 PolarHBondContact O-N 3.41Å; S672-R675 PolarHBondContact O-N 3.4Å; S672-R675 VanDerWaalsContact O-N 3.08Å; R675-R678 PolarHBondContact O-N 2.61Å; R675-A679 VanDerWaalsContact O-CB 3.24Å; R675-A679 WeakPolarHBondContact O-CB 3.37Å; R675-A679 PolarHBondContact O-N 3.42Å
676	V	51.3	Low	63.8	Low	109 Å²	109	99.7 Å²	99.7	66%	0.661	49%	0.494	S	S	*	.	H	α-helix	trans	-66	-40.8	175.2	179.3	0	0	0	0	111.3	S672 A679 G680	S672-V676 PolarHBondContact O-N 3.09Å; S672-V676 VanDerWaalsContact O-N 3.09Å; V676-A679 PolarHBondContact O-N 3.41Å; V676-G680 PolarHBondContact O-N 2.95Å
677	A	51.5	Low	61.9	Low	61 Å²	61	104.6 Å²	104.6	50%	0.504	52%	0.52	S	S	.	.	H	α-helix	trans	-67.3	-35	175.2	0	0	0	0	0	113.2	I673 I681	I673-A677 PolarHBondContact O-N 3.08Å; A677-I681 WeakPolarHBondContact O-CD1 3.49Å; A677-I681 VanDerWaalsContact O-CG1 3.3Å; A677-I681 WeakPolarHBondContact O-CG1 3.49Å; A677-I681 PolarHBondContact O-N 3.04Å
678	R	50.9	Low	60.1	Low	200 Å²	200	108 Å²	108	76%	0.755	54%	0.538	S	S	*	.	H	α-helix	trans	-75.1	-34.4	173.5	-86.3	-175.8	173.3	174.9	-3.5	113.2	R674 R675 I681 L682	R674-R678 PolarHBondContact O-N 3.15Å; R675-R678 PolarHBondContact O-N 2.61Å; R678-I681 PolarHBondContact O-N 3.27Å; R678-L682 PolarHBondContact O-N 2.9Å
679	A	51.3	Low	58.6	Low	48 Å²	48	105.9 Å²	105.9	40%	0.397	53%	0.533	S	S	.	.	H	α-helix	trans	-66.2	-43.1	174.8	0	0	0	0	0	111	R675 V676 I681 L682 D683	R675-A679 VanDerWaalsContact O-CB 3.24Å; R675-A679 WeakPolarHBondContact O-CB 3.37Å; R675-A679 PolarHBondContact O-N 3.42Å; V676-A679 PolarHBondContact O-N 3.41Å; A679-I681 VanDerWaalsContact C-N 3.3Å; A679-I681 PolarHBondContact O-N 3.36Å; A679-L682 PolarHBondContact O-N 3.39Å; A679-L682 VanDerWaalsContact O-N 3.13Å; A679-D683 PolarHBondContact O-N 3.49Å
680	G	53.6	Low	57.2	Low	36 Å²	36	104.6 Å²	104.6	37%	0.371	53%	0.527	S	S	.	.	H	α-helix	trans	-64.9	-28.1	174.7	0	0	0	0	0	114.5	V676 H684	V676-G680 PolarHBondContact O-N 2.95Å; G680-H684 PolarHBondContact O-N 3.31Å
681	I	56.4	Low	55.9	Low	105 Å²	105	111.2 Å²	111.2	54%	0.538	55%	0.551	S	S	.	*	H	α-helix	trans	-76.4	-36.9	172	-68	165.3	0	0	0	111	A677 R678 A679 H684 I685	A677-I681 WeakPolarHBondContact O-CD1 3.49Å; A677-I681 VanDerWaalsContact O-CG1 3.3Å; A677-I681 WeakPolarHBondContact O-CG1 3.49Å; A677-I681 PolarHBondContact O-N 3.04Å; R678-I681 PolarHBondContact O-N 3.27Å; A679-I681 VanDerWaalsContact C-N 3.3Å; A679-I681 PolarHBondContact O-N 3.36Å; I681-H684 PolarHBondContact O-N 3.46Å; I681-I685 HydrophobicContact CG2-CD1 3.95Å; I681-I685 VanDerWaalsContact O-CG1 3.27Å; I681-I685 WeakPolarHBondContact O-CG1 3.45Å; I681-I685 PolarHBondContact O-N 3.41Å
682	L	53.9	Low	55.1	Low	105 Å²	105	106.6 Å²	106.6	55%	0.55	54%	0.541	S	S	.	.	H	α-helix	trans	-69	-40.1	176.9	-156.1	78.3	0	0	0	111.3	R678 A679 H684 I685 I686	R678-L682 PolarHBondContact O-N 2.9Å; A679-L682 PolarHBondContact O-N 3.39Å; A679-L682 VanDerWaalsContact O-N 3.13Å; L682-H684 VanDerWaalsContact C-N 3.34Å; L682-I685 PolarHBondContact O-N 3.3Å; L682-I686 HydrophobicContact CG-CD1 4.31Å; L682-I686 VanDerWaalsContact O-CG1 3.25Å; L682-I686 WeakPolarHBondContact O-CG1 3.25Å; L682-I686 PolarHBondContact O-N 3.03Å
683	D	53.6	Low	54.6	Low	106 Å²	106	109.2 Å²	109.2	57%	0.567	55%	0.549	S	S	*	.	H	α-helix	trans	-63.9	-38.8	173.6	-73	-23.5	0	0	0	111.1	A679 I685 I686 D687	A679-D683 PolarHBondContact O-N 3.49Å; D683-I685 VanDerWaalsContact C-N 3.33Å; D683-I685 PolarHBondContact O-N 2.97Å; D683-I686 PolarHBondContact O-N 3.26Å; D683-D687 WeakPolarHBondContact O-CB 3.4Å; D683-D687 PolarHBondContact O-N 3Å
684	H	53.2	Low	54.3	Low	138 Å²	138	111.3 Å²	111.3	64%	0.639	56%	0.561	S	S	*	*	H	α-helix	trans	-66.5	-30.8	172.8	-109.3	-40.6	0	0	0	114	G680 I681 L682 M688	G680-H684 PolarHBondContact O-N 3.31Å; I681-H684 PolarHBondContact O-N 3.46Å; L682-H684 VanDerWaalsContact C-N 3.34Å; H684-M688 WeakPolarHBondContact O-CB 3.18Å; H684-M688 WeakPolarHBondContact O-CG 3.24Å; H684-M688 PolarHBondContact O-N 3.41Å; H684-M688 VanDerWaalsContact O-N 3.13Å
685	I	56.9	Low	54.3	Low	93 Å²	93	107.3 Å²	107.3	48%	0.477	55%	0.553	S	S	.	*	H	α-helix	trans	-74.9	-38.3	174.9	-69.3	165.6	0	0	0	110.5	I681 L682 D683 D687 M688 T689	I681-I685 HydrophobicContact CG2-CD1 3.95Å; I681-I685 VanDerWaalsContact O-CG1 3.27Å; I681-I685 WeakPolarHBondContact O-CG1 3.45Å; I681-I685 PolarHBondContact O-N 3.41Å; L682-I685 PolarHBondContact O-N 3.3Å; D683-I685 VanDerWaalsContact C-N 3.33Å; D683-I685 PolarHBondContact O-N 2.97Å; I685-D687 VanDerWaalsContact C-N 3.34Å; I685-M688 PolarHBondContact O-N 3.02Å; I685-T689 WeakPolarHBondContact O-CG2 3.42Å; I685-T689 PolarHBondContact O-N 3.48Å; I685-T689 PolarHBondContact O-OG1 3.16Å; I685-T689 VanDerWaalsContact O-OG1 3.09Å
686	I	56.7	Low	54.5	Low	95 Å²	95	102.4 Å²	102.4	49%	0.487	55%	0.546	S	S	.	.	H	α-helix	trans	-67.1	-36	176	-66.2	164.4	0	0	0	111	L682 D683 T689 S690	L682-I686 HydrophobicContact CG-CD1 4.31Å; L682-I686 VanDerWaalsContact O-CG1 3.25Å; L682-I686 WeakPolarHBondContact O-CG1 3.25Å; L682-I686 PolarHBondContact O-N 3.03Å; D683-I686 PolarHBondContact O-N 3.26Å; I686-T689 WeakPolarHBondContact CA-OG1 3.27Å; I686-T689 PolarHBondContact O-OG1 3Å; I686-T689 VanDerWaalsContact O-OG1 3.08Å; I686-S690 PolarHBondContact O-N 3.09Å
687	D	53.8	Low	54.6	Low	103 Å²	103	101.3 Å²	101.3	55%	0.551	54%	0.543	S	S	*	.	H	α-helix	trans	-73.3	-33.9	176.9	-139.5	12.1	0	0	0	112.2	D683 I685 S690 Y691	D683-D687 WeakPolarHBondContact O-CB 3.4Å; D683-D687 PolarHBondContact O-N 3Å; I685-D687 VanDerWaalsContact C-N 3.34Å; D687-S690 PolarHBondContact O-OG 3.42Å; D687-Y691 PolarHBondContact O-N 3.29Å; D687-Y691 VanDerWaalsContact O-N 3.17Å
688	M	55	Low	54.4	Low	122 Å²	122	108.3 Å²	108.3	60%	0.601	56%	0.558	S	S	*	*	H	α-helix	trans	-72.2	-32.5	173	-79.4	-70	-64.4	0	0	113.1	H684 I685 L692	H684-M688 WeakPolarHBondContact O-CB 3.18Å; H684-M688 WeakPolarHBondContact O-CG 3.24Å; H684-M688 PolarHBondContact O-N 3.41Å; H684-M688 VanDerWaalsContact O-N 3.13Å; I685-M688 PolarHBondContact O-N 3.02Å; M688-L692 PolarHBondContact O-N 3.13Å; M688-L692 VanDerWaalsContact O-N 3.16Å
689	T	58.6	Low	54.3	Low	69 Å²	69	105.2 Å²	105.2	42%	0.423	56%	0.555	S	S	.	*	H	α-helix	trans	-78.2	-28.6	175	54	0	0	0	0	112.6	I685 I686 L692 L693	I685-T689 WeakPolarHBondContact O-CG2 3.42Å; I685-T689 PolarHBondContact O-N 3.48Å; I685-T689 PolarHBondContact O-OG1 3.16Å; I685-T689 VanDerWaalsContact O-OG1 3.09Å; I686-T689 WeakPolarHBondContact CA-OG1 3.27Å; I686-T689 PolarHBondContact O-OG1 3Å; I686-T689 VanDerWaalsContact O-OG1 3.08Å; T689-L692 PolarHBondContact O-N 2.93Å; T689-L693 WeakPolarHBondContact O-CB 3.41Å; T689-L693 WeakPolarHBondContact O-CG 3.46Å; T689-L693 PolarHBondContact O-N 2.9Å
690	S	58.1	Low	54.1	Low	49 Å²	49	112.7 Å²	112.7	34%	0.343	60%	0.595	S	S	.	*	H	α-helix	trans	-65.6	-42.8	170	85.6	0	0	0	0	111	I686 D687 L692 L693 D694	I686-S690 PolarHBondContact O-N 3.09Å; D687-S690 PolarHBondContact O-OG 3.42Å; S690-L692 VanDerWaalsContact C-N 3.34Å; S690-L692 PolarHBondContact O-N 3.08Å; S690-L693 PolarHBondContact O-N 2.99Å; S690-D694 PolarHBondContact O-N 3.18Å
691	Y	55.9	Low	54.1	Low	173 Å²	173	116.6 Å²	116.6	68%	0.678	61%	0.607	S	S	*	*	H	α-helix	trans	-63.4	-36.1	175.7	-125.4	-89.3	0	0	0	113.3	D687 L695	D687-Y691 PolarHBondContact O-N 3.29Å; D687-Y691 VanDerWaalsContact O-N 3.17Å; Y691-L695 PolarHBondContact O-N 3.02Å
692	L	56.2	Low	54	Low	106 Å²	106	117.2 Å²	117.2	56%	0.555	61%	0.61	S	S	*	*	H	α-helix	trans	-75.7	-32.3	176.9	-85.3	160.6	0	0	0	112.9	M688 T689 S690 L695 T696	M688-L692 PolarHBondContact O-N 3.13Å; M688-L692 VanDerWaalsContact O-N 3.16Å; T689-L692 PolarHBondContact O-N 2.93Å; S690-L692 VanDerWaalsContact C-N 3.34Å; S690-L692 PolarHBondContact O-N 3.08Å; L692-L695 PolarHBondContact O-N 2.85Å; L692-T696 PolarHBondContact O-N 2.99Å
693	L	55.3	Low	54	Low	118 Å²	118	117.8 Å²	117.8	62%	0.618	61%	0.613	S	S	*	*	H	α-helix	trans	-71.5	-34.8	174.2	-78.9	163.6	0	0	0	112.1	T689 S690 L695 T696 S697	T689-L693 WeakPolarHBondContact O-CB 3.41Å; T689-L693 WeakPolarHBondContact O-CG 3.46Å; T689-L693 PolarHBondContact O-N 2.9Å; S690-L693 PolarHBondContact O-N 2.99Å; L693-L695 VanDerWaalsContact C-N 3.3Å; L693-L695 PolarHBondContact O-N 3.13Å; L693-T696 PolarHBondContact O-N 3.34Å; L693-T696 PolarHBondContact O-OG1 2.8Å; L693-S697 PolarHBondContact O-N 3.21Å
694	D	53.7	Low	54	Low	116 Å²	116	118.5 Å²	118.5	62%	0.62	62%	0.616	S	S	*	*	H	α-helix	trans	-70.4	-22.1	172.6	-90	-13.8	0	0	0	113.6	S690 S697	S690-D694 PolarHBondContact O-N 3.18Å; D694-S697 PolarHBondContact O-OG 3.32Å
695	L	53.2	Low	54.1	Low	102 Å²	102	117.3 Å²	117.3	53%	0.534	62%	0.615	S	S	.	*	H	α-helix	trans	-78.7	-27.6	171.6	-96.9	151.5	0	0	0	112.7	Y691 L692 L693 Y698	Y691-L695 PolarHBondContact O-N 3.02Å; L692-L695 PolarHBondContact O-N 2.85Å; L693-L695 VanDerWaalsContact C-N 3.3Å; L693-L695 PolarHBondContact O-N 3.13Å; L695-Y698 PolarHBondContact O-N 2.83Å
696	T	54.5	Low	53.9	Low	96 Å²	96	118.9 Å²	118.9	59%	0.589	62%	0.624	S	S	*	*	H	α-helix	trans	-81.3	-15.2	175.7	53.7	0	0	0	0	114.1	L692 L693 Y698	L692-T696 PolarHBondContact O-N 2.99Å; L693-T696 PolarHBondContact O-N 3.34Å; L693-T696 PolarHBondContact O-OG1 2.8Å; T696-Y698 VanDerWaalsContact C-N 3.33Å
697	S	53.6	Low	53.7	Low	87 Å²	87	120.6 Å²	120.6	61%	0.608	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	-7.6	170.6	56.3	0	0	0	0	113.3	L693 D694	L693-S697 PolarHBondContact O-N 3.21Å; D694-S697 PolarHBondContact O-OG 3.32Å
698	Y	48.8	Very low	53.7	Low	208 Å²	208	122 Å²	122	82%	0.816	64%	0.64	S	S	*	*	S	Bend	trans	-100.8	-0.5	175.2	-120.7	-87.8	0	0	0	114.2	L695 T696	L695-Y698 PolarHBondContact O-N 2.83Å; T696-Y698 VanDerWaalsContact C-N 3.33Å
699	I	47.5	Very low	53.5	Low	134 Å²	134	122 Å²	122	69%	0.687	64%	0.643	S	S	*	*			trans	-117.7	91.5	174.4	-58.2	176.8	0	0	0	107.9
700	V	47.1	Very low	53.1	Low	206 Å²	206	126.8 Å²	126.8	100%	1.248	66%	0.663	S	S	*	*			trans	-63.4	0	149.4	169.9	0	0	0	0	109.3

Retrieved 700 of 700 residues in 288.6 ms (Link to these results)

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