A0A087XJW9_POEFO Loading...

Coagulation factor IX

Factor IX is a vitamin K-dependent plasma protein that participates in the intrinsic pathway of blood coagulation by converting factor X to its active form in the presence of Ca(2+) ions, phospholipids, and factor VIIIa.

AlphaFold DB , UniProt , Accession A0A087XJW9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 545 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.3	Very low	35.4	Very low	241 Å²	241	158.2 Å²	158.2	100%	1.187	84%	0.842	S	S	*	*				0	86.1	0	-58.7	-156.4	-95.2	0	0	106.5
2	A	34.3	Very low	35	Very low	93 Å²	93	149.6 Å²	149.6	77%	0.769	82%	0.819	S	S	*	*				57.6	103.7	55.3	0	0	0	0	0	113.6
3	R	31.3	Very low	34.6	Very low	240 Å²	240	151.7 Å²	151.7	91%	0.906	83%	0.828	S	S	*	*			trans	143.5	102.2	155.2	-82.3	173.2	179.7	-165.3	-0.6	107.8
4	V	39.2	Very low	34.5	Very low	130 Å²	130	153.7 Å²	153.7	79%	0.788	83%	0.829	S	S	*	*				48.7	104.2	53.3	-170.6	0	0	0	0	112.7
5	C	33.9	Very low	34.3	Very low	129 Å²	129	155.3 Å²	155.3	87%	0.872	84%	0.836	S	S	*	*				-160	114.6	127	-96.4	0	0	0	0	110.8
6	L	34.6	Very low	33.9	Very low	144 Å²	144	150.6 Å²	150.6	75%	0.754	84%	0.835	S	S	*	*			trans	-64.7	144.1	160.3	-111.8	108.3	0	0	0	110	V8	L6-V8 HydrophobicContact CD2-CG2 3.94Å
7	L	35.9	Very low	34.2	Very low	177 Å²	177	151.3 Å²	151.3	93%	0.927	84%	0.835	S	S	*	*			trans	-144.4	111.6	140.7	-93.8	174.1	0	0	0	109.1
8	V	36	Very low	34.7	Very low	88 Å²	88	149.8 Å²	149.8	53%	0.533	83%	0.833	S	S	.	*			trans	-94.3	136.9	165.8	165.1	0	0	0	0	106.6	L6 I10	L6-V8 HydrophobicContact CD2-CG2 3.94Å; V8-I10 HydrophobicContact CG1-CG1 4.48Å
9	F	32.4	Very low	34.5	Very low	213 Å²	213	145.6 Å²	145.6	93%	0.934	83%	0.827	S	S	*	*			trans	-158.3	131	134.8	-107.7	-73.6	0	0	0	111.2
10	I	36.5	Very low	34.4	Very low	139 Å²	139	143.5 Å²	143.5	71%	0.713	83%	0.829	S	S	*	*			trans	-94.9	135.4	-173.7	-69.2	163.8	0	0	0	109.2	V8	V8-I10 HydrophobicContact CG1-CG1 4.48Å
11	V	34.9	Very low	34.4	Very low	146 Å²	146	143 Å²	143	89%	0.885	83%	0.833	S	S	*	*			trans	-156.9	119.1	144.8	-173.6	0	0	0	0	104.3
12	G	31.4	Very low	34.1	Very low	55 Å²	55	135.7 Å²	135.7	57%	0.567	81%	0.811	S	S	*	*			cis	106.3	89.3	31.1	0	0	0	0	0	108.5
13	L	29.8	Very low	34	Very low	177 Å²	177	140.7 Å²	140.7	93%	0.927	82%	0.819	S	S	*	*			trans	-166.8	124.3	149.5	-123.9	98	0	0	0	111.2
14	Q	32.9	Very low	34.2	Very low	180 Å²	180	135.7 Å²	135.7	84%	0.841	81%	0.809	S	S	*	*			trans	-69.3	156.5	173.1	-71.9	157.3	-51.2	0	0	111.7
15	L	31.2	Very low	34	Very low	178 Å²	178	136.3 Å²	136.3	93%	0.932	81%	0.813	S	S	*	*				172.4	129.7	125.4	-88.6	165	0	0	0	111.7
16	G	27.5	Very low	34.3	Very low	80 Å²	80	137.7 Å²	137.7	83%	0.825	81%	0.806	S	S	*	*			trans	95.2	102.5	143.2	0	0	0	0	0	120.3
17	I	38.5	Very low	34.5	Very low	162 Å²	162	138.2 Å²	138.2	83%	0.831	81%	0.81	S	S	*	*			trans	-85.6	142	145.1	-65.4	177.9	0	0	0	105.5
18	P	43.5	Very low	35	Very low	125 Å²	125	135.9 Å²	135.9	81%	0.812	80%	0.799	S	S	*	*				-159.8	176.8	69	39.8	-15.8	0	0	0	119.9
19	G	31	Very low	35.2	Very low	70 Å²	70	137 Å²	137	72%	0.722	81%	0.806	S	S	*	*			trans	100.3	108.7	153.8	0	0	0	0	0	114.3
20	A	32.9	Very low	36.2	Very low	103 Å²	103	135.7 Å²	135.7	85%	0.851	80%	0.803	S	S	*	*				55.8	105.4	51.7	0	0	0	0	0	113.8
21	S	33.5	Very low	36.9	Very low	132 Å²	132	134.3 Å²	134.3	92%	0.923	80%	0.801	S	S	*	*			trans	-132.9	106.9	145.4	-82.3	0	0	0	0	107.2
22	A	34.6	Very low	38	Very low	88 Å²	88	133.1 Å²	133.1	73%	0.727	79%	0.794	S	S	*	*			trans	-79.9	138.8	162.6	0	0	0	0	0	107.7
23	E	33.3	Very low	39.2	Very low	199 Å²	199	139 Å²	139	93%	0.93	80%	0.804	S	S	*	*			trans	-108.6	112.8	160.9	-139.4	167.6	-155.3	0	0	106.8
24	I	35.7	Very low	40.9	Very low	135 Å²	135	136.1 Å²	136.1	69%	0.692	79%	0.788	S	S	*	*			trans	-85.3	128.6	-179.1	-64.7	164.3	0	0	0	106.9	E26	I24-E26 HydrophobicContact CG2-CG 3.92Å
25	T	33.8	Very low	42.3	Very low	143 Å²	143	130.4 Å²	130.4	88%	0.877	77%	0.768	S	S	*	*			trans	-113.9	110.5	149.4	34.5	0	0	0	0	106.8
26	E	40.9	Very low	43.6	Very low	157 Å²	157	129.3 Å²	129.3	73%	0.734	76%	0.758	S	S	*	*			trans	-66.3	124.5	168.5	-74.4	176.9	139.1	0	0	108.5	I24	I24-E26 HydrophobicContact CG2-CG 3.92Å
27	D	37.7	Very low	45.1	Very low	156 Å²	156	133.6 Å²	133.6	83%	0.834	76%	0.757	S	S	*	*			trans	-126	110.3	144	-153.7	0.5	0	0	0	107.2	T29	D27-T29 PolarHBondContact O-N 3.38Å
28	N	46.6	Very low	46.2	Very low	128 Å²	128	129.6 Å²	129.6	68%	0.684	74%	0.74	S	S	*	*			trans	-77.2	101.2	-179.3	-87.5	-41.5	0	0	0	108.8
29	T	41.1	Very low	47	Very low	111 Å²	111	125.2 Å²	125.2	68%	0.681	71%	0.714	S	S	*	*			trans	-124.1	102.9	148.3	57.6	0	0	0	0	107.9	D27 T31	D27-T29 PolarHBondContact O-N 3.38Å; T29-T31 PolarHBondContact O-N 3.37Å
30	E	53.3	Low	48.1	Very low	186 Å²	186	128.5 Å²	128.5	87%	0.869	71%	0.711	S	S	*	*			trans	-58.6	89.2	165.7	-73.8	-177.6	148.9	0	0	109.2	V32	E30-V32 PolarHBondContact O-N 3.29Å
31	T	50.3	Low	49.4	Very low	110 Å²	110	127.5 Å²	127.5	68%	0.675	70%	0.703	S	S	*	*			trans	-83.3	100.2	160.2	56	0	0	0	0	107.1	T29 F33	T29-T31 PolarHBondContact O-N 3.37Å; T31-F33 PolarHBondContact O-N 2.88Å
32	V	58.3	Low	50.5	Low	121 Å²	121	126.7 Å²	126.7	73%	0.733	69%	0.691	S	S	*	*			trans	-62.6	-4.6	172.2	176.7	0	0	0	0	112.2	E30	E30-V32 PolarHBondContact O-N 3.29Å
33	F	56.2	Low	51.4	Low	177 Å²	177	128.2 Å²	128.2	78%	0.776	69%	0.687	S	S	*	*			trans	-116.9	123.3	-176.6	-63	-77	0	0	0	112.5	T31	T31-F33 PolarHBondContact O-N 2.88Å
34	I	66.1	Low	52.3	Low	117 Å²	117	128.4 Å²	128.4	60%	0.6	69%	0.685	S	S	*	*			trans	-81.9	147.6	170.2	-72.3	176.5	0	0	0	109.1	T38 A39	I34-T38 HydrophobicContact CG2-CG2 3.93Å; I34-A39 HydrophobicContact CG2-CB 4.16Å
35	S	63.1	Low	53	Low	61 Å²	61	128.2 Å²	128.2	43%	0.427	68%	0.675	S	S	.	*			trans	-62.7	146.3	175.7	90.2	0	0	0	0	111.9	Q37 T38 A39	S35-Q37 PolarHBondContact O-N 3.29Å; S35-Q37 VanDerWaalsContact O-N 3.15Å; S35-T38 PolarHBondContact O-N 2.8Å; S35-T38 PolarHBondContact OG-N 3.28Å; S35-T38 PolarHBondContact OG-OG1 2.79Å; S35-A39 PolarHBondContact O-N 3.38Å
36	Q	57.9	Low	53.7	Low	154 Å²	154	129.8 Å²	129.8	72%	0.72	67%	0.673	S	S	*	*	H	α-helix	trans	-52.8	-41.1	-177.9	-169.8	175	7.2	0	0	112.2	T38 A39 H40	Q36-T38 PolarHBondContact O-N 2.81Å; Q36-A39 PolarHBondContact O-N 2.83Å; Q36-H40 PolarHBondContact O-CD2 2.9Å; Q36-H40 PolarHBondContact O-N 3.01Å
37	Q	57.7	Low	53.9	Low	171 Å²	171	130.3 Å²	130.3	80%	0.799	67%	0.668	S	S	*	*	H	α-helix	trans	-65.1	-37.1	179.3	-63.6	168.2	-6.4	0	0	112.5	S35	S35-Q37 PolarHBondContact O-N 3.29Å; S35-Q37 VanDerWaalsContact O-N 3.15Å
38	T	61.9	Low	54.6	Low	77 Å²	77	130.9 Å²	130.9	47%	0.472	66%	0.658	S	S	.	*	H	α-helix	trans	-80	-32.3	178.4	-41.8	0	0	0	0	111.9	I34 S35 Q36 H40 A41	I34-T38 HydrophobicContact CG2-CG2 3.93Å; S35-T38 PolarHBondContact O-N 2.8Å; S35-T38 PolarHBondContact OG-N 3.28Å; S35-T38 PolarHBondContact OG-OG1 2.79Å; Q36-T38 PolarHBondContact O-N 2.81Å; T38-H40 PolarHBondContact O-N 3.15Å; T38-A41 PolarHBondContact O-N 2.88Å
39	A	60.4	Low	54.4	Low	33 Å²	33	133.9 Å²	133.9	27%	0.273	66%	0.661	S	S	.	*	H	α-helix	trans	-64.7	-38.1	176.7	0	0	0	0	0	112.3	I34 S35 Q36 A41 V42 L43	I34-A39 HydrophobicContact CG2-CB 4.16Å; S35-A39 PolarHBondContact O-N 3.38Å; Q36-A39 PolarHBondContact O-N 2.83Å; A39-A41 PolarHBondContact O-N 3.41Å; A39-V42 PolarHBondContact O-N 2.63Å; A39-L43 PolarHBondContact O-N 2.78Å; A39-L43 VanDerWaalsContact O-N 3.09Å
40	H	55.7	Low	54.8	Low	140 Å²	140	131.6 Å²	131.6	65%	0.648	65%	0.645	S	S	*	*	H	α-helix	trans	-64.2	-22.9	175.9	-80.9	-68.9	0	0	0	114.1	Q36 T38	Q36-H40 PolarHBondContact O-CD2 2.9Å; Q36-H40 PolarHBondContact O-N 3.01Å; T38-H40 PolarHBondContact O-N 3.15Å
41	A	58.4	Low	54.6	Low	82 Å²	82	128 Å²	128	68%	0.678	64%	0.64	S	S	*	*	H	α-helix	trans	-83.5	-26.2	179.4	0	0	0	0	0	113.5	T38 A39	T38-A41 PolarHBondContact O-N 2.88Å; A39-A41 PolarHBondContact O-N 3.41Å
42	V	58.1	Low	54.3	Low	114 Å²	114	125.2 Å²	125.2	69%	0.691	63%	0.634	S	S	*	*	H	α-helix	trans	-96	-35.6	-177.1	-179.4	0	0	0	0	111.6	A39 K44	A39-V42 PolarHBondContact O-N 2.63Å; V42-K44 PolarHBondContact O-N 3.11Å
43	L	53.9	Low	53.9	Low	121 Å²	121	130.4 Å²	130.4	63%	0.634	64%	0.64	S	S	*	*			trans	-94.1	82.4	177.4	-64.3	172.7	0	0	0	110.4	A39 R45	A39-L43 PolarHBondContact O-N 2.78Å; A39-L43 VanDerWaalsContact O-N 3.09Å; L43-R45 PolarHBondContact O-N 3.03Å
44	K	51.9	Low	53.4	Low	202 Å²	202	128.1 Å²	128.1	88%	0.878	64%	0.635	S	S	*	*			trans	-69.7	83.4	152.4	-79.6	-173.3	177.5	-178.9	0	107.6	V42 Q46	V42-K44 PolarHBondContact O-N 3.11Å; K44-Q46 PolarHBondContact O-N 3.06Å; K44-Q46 VanDerWaalsContact O-N 3.09Å
45	R	49.3	Very low	52.6	Low	132 Å²	132	127.6 Å²	127.6	50%	0.498	63%	0.63	S	S	.	*			trans	-56.9	115.4	168.1	-99.4	-170.6	-175.7	174.8	8.7	106.8	L43 E69 E70	L43-R45 PolarHBondContact O-N 3.03Å; R45-E69 IonicContact CZ-OE2 2.85Å; R45-E69 IonicContact NH1-OE2 3.87Å; R45-E69 PolarHBondContact NH1-OE2 3.39Å; R45-E69 IonicContact NH2-OE2 3.17Å; R45-E69 PolarHBondContact NH2-OE2 3.08Å; R45-E70 IonicContact NH1-OE1 2.76Å
46	Q	49.3	Very low	51.9	Low	176 Å²	176	131 Å²	131	82%	0.822	64%	0.639	S	S	*	*			trans	-64.3	135.3	157.7	-77.5	-165.1	-38	0	0	107	K44 R48	K44-Q46 PolarHBondContact O-N 3.06Å; K44-Q46 VanDerWaalsContact O-N 3.09Å; Q46-R48 PolarHBondContact O-N 3.4Å
47	R	44.1	Very low	51.5	Low	167 Å²	167	129.3 Å²	129.3	63%	0.63	64%	0.64	S	S	*	*			trans	-46.4	115.9	172.9	-164.9	178.2	-173.8	175.8	3.7	107.1	Y49 Q71	R47-Y49 PolarHBondContact O-N 3.01Å; R47-Q71 PolarHBondContact NH2-O 2.9Å
48	R	52.3	Low	51	Low	169 Å²	169	128.1 Å²	128.1	64%	0.638	64%	0.638	S	S	*	*			trans	-74.1	88.6	171.9	-70.2	-171.7	-167.5	-174.4	5.3	105	Q46 N50	Q46-R48 PolarHBondContact O-N 3.4Å; R48-N50 PolarHBondContact O-N 3.47Å
49	Y	43.9	Very low	50.7	Low	190 Å²	190	128.9 Å²	128.9	75%	0.745	64%	0.636	S	S	*	*			trans	-56.2	124.7	163.1	-163.4	-87.8	0	0	0	105.6	R47 S51	R47-Y49 PolarHBondContact O-N 3.01Å; Y49-S51 PolarHBondContact O-N 3.49Å
50	N	48.7	Very low	50.6	Low	63 Å²	63	135.8 Å²	135.8	34%	0.337	66%	0.66	S	S	.	*			trans	-62	79.2	168.2	-79.9	-23	0	0	0	107.9	R48 G52	R48-N50 PolarHBondContact O-N 3.47Å; N50-G52 VanDerWaalsContact C-N 3.31Å; N50-G52 PolarHBondContact O-N 3Å; N50-G52 VanDerWaalsContact O-N 3.14Å
51	S	48.3	Very low	50.8	Low	110 Å²	110	130.9 Å²	130.9	77%	0.769	64%	0.644	S	S	*	*			trans	-86.7	80.5	174.7	66.7	0	0	0	0	107.9	Y49	Y49-S51 PolarHBondContact O-N 3.49Å
52	G	46.1	Very low	51.6	Low	52 Å²	52	130 Å²	130	54%	0.536	63%	0.628	S	S	.	*	S	Bend	trans	115.6	108	150.6	0	0	0	0	0	116.5	N50 L54	N50-G52 VanDerWaalsContact C-N 3.31Å; N50-G52 PolarHBondContact O-N 3Å; N50-G52 VanDerWaalsContact O-N 3.14Å; G52-L54 PolarHBondContact O-N 3.45Å
53	R	48.8	Very low	52.6	Low	230 Å²	230	125.6 Å²	125.6	87%	0.868	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	53.3	-11.2	132	-103.7	-178.5	173.6	178.4	-1.9	121.6
54	L	46.6	Very low	53.7	Low	130 Å²	130	124.7 Å²	124.7	68%	0.681	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.6	-25.9	-177.7	-84.2	160.2	0	0	0	114	G52	G52-L54 PolarHBondContact O-N 3.45Å
55	E	47.7	Very low	54.9	Low	106 Å²	106	119.6 Å²	119.6	50%	0.495	57%	0.568	S	S	.	*	S	Bend	trans	-78.2	-37.4	-179.9	-127.1	164.3	172.5	0	0	112.5	V57 L58 Q59	E55-V57 VanDerWaalsContact C-N 3.26Å; E55-V57 PolarHBondContact O-N 2.73Å; E55-L58 PolarHBondContact O-N 2.86Å; E55-Q59 PolarHBondContact O-N 2.77Å; E55-Q59 VanDerWaalsContact O-N 3.12Å
56	E	49.6	Very low	56.4	Low	132 Å²	132	115.9 Å²	115.9	62%	0.617	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	-22.4	173.8	-71	169.8	179.3	0	0	113.5
57	V	48.9	Very low	58	Low	119 Å²	119	107.7 Å²	107.7	72%	0.721	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-20.3	179.4	-178.8	0	0	0	0	111.9	E55	E55-V57 VanDerWaalsContact C-N 3.26Å; E55-V57 PolarHBondContact O-N 2.73Å
58	L	48.4	Very low	59.7	Low	145 Å²	145	107.5 Å²	107.5	76%	0.759	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.1	-23.4	-171.6	-86.6	160.7	0	0	0	114.1	E55	E55-L58 PolarHBondContact O-N 2.86Å
59	Q	54.7	Low	61.1	Low	93 Å²	93	104.3 Å²	104.3	44%	0.435	51%	0.51	S	S	.	.	S	Bend	trans	-115.1	117.2	178.6	-66.9	-177.4	34.6	0	0	109.9	E55	E55-Q59 PolarHBondContact O-N 2.77Å; E55-Q59 VanDerWaalsContact O-N 3.12Å
60	K	57.4	Low	62.9	Low	178 Å²	178	97.2 Å²	97.2	77%	0.774	48%	0.484	S	S	*	.			trans	-55.7	138.5	169.7	-164.1	172.4	-176.3	179.1	0	108.1	N62	K60-N62 PolarHBondContact O-N 2.74Å
61	A	61.5	Low	64.3	Low	38 Å²	38	101.9 Å²	101.9	31%	0.314	50%	0.503	S	S	.	.			trans	-40.7	141.2	176.5	0	0	0	0	0	110.6	W80	A61-W80 VanDerWaalsContact C-CE3 3.46Å; A61-W80 HydrophobicContact CB-CB 4.1Å; A61-W80 HydrophobicContact CB-CE3 3.94Å; A61-W80 WeakPolarHBondContact O-CZ3 2.96Å
62	N	74.9	Confident	66	Low	63 Å²	63	97.1 Å²	97.1	34%	0.337	47%	0.47	S	S	.	.			trans	-136.9	103.8	-176.1	-176.9	-14.6	0	0	0	110.3	K60 E64 R65 E66	K60-N62 PolarHBondContact O-N 2.74Å; N62-E64 VanDerWaalsContact C-N 3.27Å; N62-E64 PolarHBondContact O-N 2.71Å; N62-E64 PolarHBondContact OD1-N 3.23Å; N62-E64 VanDerWaalsContact OD1-N 3.15Å; N62-R65 HydrophobicContact CB-CB 4.26Å; N62-R65 PolarHBondContact O-N 3.44Å; N62-R65 VanDerWaalsContact O-N 3.1Å; N62-E66 WeakPolarHBondContact O-CG 3.48Å; N62-E66 PolarHBondContact O-N 3.38Å
63	L	78.4	Confident	68	Low	22 Å²	22	97.8 Å²	97.8	12%	0.115	46%	0.464	C	S	.	.	H	α-helix	trans	-56.9	-36.7	-176.9	-170.3	72.2	0	0	0	113.7	R65 C67 R68 W80 F81 F90	L63-R65 VanDerWaalsContact C-N 3.34Å; L63-C67 HydrophobicContact CD1-CB 3.92Å; L63-C67 PolarHBondContact O-N 2.84Å; L63-R68 PolarHBondContact O-N 3.47Å; L63-W80 HydrophobicContact CB-CD2 4.06Å; L63-W80 HydrophobicContact CB-CG 4.1Å; L63-W80 HydrophobicContact CB-CZ2 4.19Å; L63-W80 HydrophobicContact CD1-CG 4.33Å; L63-F81 HydrophobicContact CD1-CE2 3.94Å; L63-F81 HydrophobicContact CD1-CZ 4.05Å; L63-F81 HydrophobicContact CD2-CZ 3.85Å; L63-F90 HydrophobicContact CD1-CD1 4.44Å; L63-F90 HydrophobicContact CD1-CD2 4.32Å; L63-F90 HydrophobicContact CD1-CE1 4.03Å; L63-F90 HydrophobicContact CD1-CE2 3.91Å; L63-F90 HydrophobicContact CD1-CZ 3.77Å; L63-F90 HydrophobicContact CD2-CD2 4.37Å; L63-F90 HydrophobicContact CD2-CE2 4.23Å; L63-F90 HydrophobicContact CG-CE2 4.35Å
64	E	77.6	Confident	69.7	Low	101 Å²	101	91 Å²	91	47%	0.472	44%	0.443	S	S	.	.	I	π-helix	trans	-64.4	-42.9	179.1	-170.1	68.3	-144.9	0	0	110.6	N62 R68 E69	N62-E64 VanDerWaalsContact C-N 3.27Å; N62-E64 PolarHBondContact O-N 2.71Å; N62-E64 PolarHBondContact OD1-N 3.23Å; N62-E64 VanDerWaalsContact OD1-N 3.15Å; E64-R68 VanDerWaalsContact CD-CD 3.47Å; E64-R68 CarbonylContact O-C 3.55Å; E64-R68 WeakPolarHBondContact O-CB 3.42Å; E64-R68 PolarHBondContact O-N 2.99Å; E64-R68 WeakPolarHBondContact OE2-CD 3.36Å; E64-R68 IonicContact OE2-NE 2.7Å; E64-E69 WeakPolarHBondContact O-CG 3.34Å; E64-E69 PolarHBondContact O-N 3.45Å
65	R	76.8	Confident	71.4	Confident	96 Å²	96	89.1 Å²	89.1	36%	0.362	43%	0.431	S	S	.	.	I	π-helix	trans	-77.1	-46.8	-177.7	-173.6	-177.7	-66.2	161.4	0.1	112.7	N62 L63 E70	N62-R65 HydrophobicContact CB-CB 4.26Å; N62-R65 PolarHBondContact O-N 3.44Å; N62-R65 VanDerWaalsContact O-N 3.1Å; L63-R65 VanDerWaalsContact C-N 3.34Å; R65-E70 PolarHBondContact O-N 3.32Å
66	E	80.6	Confident	73.2	Confident	53 Å²	53	87.3 Å²	87.3	25%	0.248	42%	0.422	C	S	.	.	I	π-helix	trans	-80	-38	-170.7	-59.5	-57	145	0	0	111.9	N62 E70 C72	N62-E66 WeakPolarHBondContact O-CG 3.48Å; N62-E66 PolarHBondContact O-N 3.38Å; E66-E70 CarbonylContact O-C 3.3Å; E66-E70 VanDerWaalsContact O-C 3.3Å; E66-C72 WeakPolarHBondContact O-CB 3.38Å; E66-C72 PolarHBondContact O-N 2.96Å
67	C	82.6	Confident	74.8	Confident	5 Å²	5	81 Å²	81	3%	0.034	39%	0.393	C	S	.	.	I	π-helix	trans	-117	-15.6	-171.9	-61.2	0	0	0	0	115.1	L63 E70 C72 F90 Y94	L63-C67 HydrophobicContact CD1-CB 3.92Å; L63-C67 PolarHBondContact O-N 2.84Å; C67-E70 CarbonylContact C-O 3.22Å; C67-E70 VanDerWaalsContact C-O 3.22Å; C67-E70 WeakPolarHBondContact CA-O 3.38Å; C67-C72 HydrophobicContact CB-CB 3.96Å; C67-C72 WeakPolarHBondContact CB-SG 3.36Å; C67-C72 WeakPolarHBondContact SG-CB 3.34Å; C67-C72 CovalentContact SG-SG 2.03Å; C67-C72 PolarHBondContact SG-SG 3.34Å; C67-F90 HydrophobicContact CB-CE1 4.11Å; C67-F90 HydrophobicContact CB-CZ 3.65Å; C67-Y94 HydrophobicContact CB-CE2 4.38Å; C67-Y94 WeakPolarHBondContact O-CE2 3.5Å
68	R	79.9	Confident	76.6	Confident	162 Å²	162	80 Å²	80	61%	0.611	38%	0.376	S	S	*	.	I	π-helix	trans	-104.4	-41.6	176.3	-65.1	176.8	178.1	-80.6	0.5	112.8	L63 E64	L63-R68 PolarHBondContact O-N 3.47Å; E64-R68 VanDerWaalsContact CD-CD 3.47Å; E64-R68 CarbonylContact O-C 3.55Å; E64-R68 WeakPolarHBondContact O-CB 3.42Å; E64-R68 PolarHBondContact O-N 2.99Å; E64-R68 WeakPolarHBondContact OE2-CD 3.36Å; E64-R68 IonicContact OE2-NE 2.7Å
69	E	82	Confident	78.3	Confident	103 Å²	103	78.8 Å²	78.8	48%	0.481	37%	0.366	S	S	.	.	S	Bend	trans	-79.4	-27.5	172.7	-68.2	-178.8	-160	0	0	112.1	R45 E64	R45-E69 IonicContact CZ-OE2 2.85Å; R45-E69 IonicContact NH1-OE2 3.87Å; R45-E69 PolarHBondContact NH1-OE2 3.39Å; R45-E69 IonicContact NH2-OE2 3.17Å; R45-E69 PolarHBondContact NH2-OE2 3.08Å; E64-E69 WeakPolarHBondContact O-CG 3.34Å; E64-E69 PolarHBondContact O-N 3.45Å
70	E	81.2	Confident	79.6	Confident	41 Å²	41	78.9 Å²	78.9	19%	0.192	36%	0.363	C	S	.	.	S	Bend	trans	-133	167.1	-176.7	-59.7	-163.2	-169.8	0	0	112.4	R45 R65 E66 C67	R45-E70 IonicContact NH1-OE1 2.76Å; R65-E70 PolarHBondContact O-N 3.32Å; E66-E70 CarbonylContact O-C 3.3Å; E66-E70 VanDerWaalsContact O-C 3.3Å; C67-E70 CarbonylContact C-O 3.22Å; C67-E70 VanDerWaalsContact C-O 3.22Å; C67-E70 WeakPolarHBondContact CA-O 3.38Å
71	Q	79.3	Confident	80.9	Confident	160 Å²	160	72.8 Å²	72.8	75%	0.748	34%	0.336	S	S	*	.			trans	-87	108.8	174.6	-78.6	-175.9	-14.5	0	0	111.1	R47 Y94	R47-Q71 PolarHBondContact NH2-O 2.9Å; Q71-Y94 WeakPolarHBondContact CA-OH 3.25Å
72	C	84.1	Confident	82	Confident	10 Å²	10	78.7 Å²	78.7	7%	0.068	36%	0.357	C	S	.	.			trans	-93.7	162.2	175.1	72.5	0	0	0	0	114.2	E66 C67 E76 W91 Y94	E66-C72 WeakPolarHBondContact O-CB 3.38Å; E66-C72 PolarHBondContact O-N 2.96Å; C67-C72 HydrophobicContact CB-CB 3.96Å; C67-C72 WeakPolarHBondContact CB-SG 3.36Å; C67-C72 WeakPolarHBondContact SG-CB 3.34Å; C67-C72 CovalentContact SG-SG 2.03Å; C67-C72 PolarHBondContact SG-SG 3.34Å; C72-E76 VanDerWaalsContact CA-OE2 3.29Å; C72-E76 WeakPolarHBondContact CA-OE2 3.36Å; C72-E76 HydrophobicContact CB-CB 4.17Å; C72-W91 WeakPolarHBondContact O-CH2 3.32Å; C72-Y94 PolarHBondContact N-OH 2.9Å
73	T	87.1	Confident	82.7	Confident	66 Å²	66	78.6 Å²	78.6	41%	0.405	36%	0.357	S	S	.	.			trans	-94	162.9	172.1	63.1	0	0	0	0	111.4	E75 E76 A77 W91	T73-E75 PolarHBondContact O-N 3.44Å; T73-E76 PolarHBondContact N-OE2 3Å; T73-E76 PolarHBondContact O-N 3.43Å; T73-E76 VanDerWaalsContact OG1-CD 3.29Å; T73-E76 WeakPolarHBondContact OG1-CG 3.42Å; T73-E76 PolarHBondContact OG1-OE2 3.31Å; T73-A77 PolarHBondContact O-N 2.86Å; T73-W91 VanDerWaalsContact C-CH2 3.43Å
74	M	84.6	Confident	83	Confident	89 Å²	89	82.5 Å²	82.5	44%	0.438	38%	0.378	S	S	.	.	H	α-helix	trans	-61.1	-33.3	-179.2	-169.6	178.7	73.9	0	0	112.3	A77 R78 M88 W91	M74-A77 PolarHBondContact O-N 2.8Å; M74-R78 WeakPolarHBondContact O-CB 3.35Å; M74-R78 PolarHBondContact O-N 3.24Å; M74-M88 HydrophobicContact SD-SD 4.39Å; M74-W91 HydrophobicContact CB-CD2 3.91Å; M74-W91 HydrophobicContact CB-CE3 4.13Å; M74-W91 HydrophobicContact CB-CH2 4.08Å; M74-W91 HydrophobicContact CB-CZ2 3.82Å; M74-W91 HydrophobicContact CB-CZ3 4.22Å; M74-W91 HydrophobicContact CG-CD2 3.92Å; M74-W91 HydrophobicContact CG-CE3 4.4Å; M74-W91 HydrophobicContact CG-CG 4.09Å; M74-W91 VanDerWaalsContact N-CZ3 3.29Å
75	E	82.9	Confident	83.5	Confident	89 Å²	89	84.8 Å²	84.8	42%	0.416	39%	0.389	S	S	.	.	H	α-helix	trans	-69.9	-39.4	179.2	-166.8	66.3	177.9	0	0	111.4	T73 R78 E79	T73-E75 PolarHBondContact O-N 3.44Å; E75-R78 WeakPolarHBondContact O-CB 3.37Å; E75-R78 PolarHBondContact O-N 3.34Å; E75-R78 VanDerWaalsContact O-N 3.17Å; E75-R78 IonicContact OE1-CZ 3.28Å; E75-R78 IonicContact OE1-NE 3.61Å; E75-R78 PolarHBondContact OE1-NE 3.08Å; E75-R78 IonicContact OE1-NH2 3.34Å; E75-R78 PolarHBondContact OE1-NH2 2.94Å; E75-R78 IonicContact OE2-CZ 3.8Å; E75-R78 IonicContact OE2-NE 3.18Å; E75-R78 PolarHBondContact OE2-NE 2.81Å; E75-R78 IonicContact OE2-NH2 3.8Å; E75-E79 WeakPolarHBondContact O-CG 3.3Å; E75-E79 PolarHBondContact O-N 3.09Å
76	E	84.5	Confident	84	Confident	69 Å²	69	85.8 Å²	85.8	32%	0.322	40%	0.396	S	S	.	.	H	α-helix	trans	-65.4	-38.2	173.8	-70.2	162.5	158.2	0	0	111.6	C72 T73 R78 W80	C72-E76 VanDerWaalsContact CA-OE2 3.29Å; C72-E76 WeakPolarHBondContact CA-OE2 3.36Å; C72-E76 HydrophobicContact CB-CB 4.17Å; T73-E76 PolarHBondContact N-OE2 3Å; T73-E76 PolarHBondContact O-N 3.43Å; T73-E76 VanDerWaalsContact OG1-CD 3.29Å; T73-E76 WeakPolarHBondContact OG1-CG 3.42Å; T73-E76 PolarHBondContact OG1-OE2 3.31Å; E76-R78 VanDerWaalsContact C-N 3.35Å; E76-W80 PolarHBondContact O-N 2.84Å
77	A	84.4	Confident	84.4	Confident	0 Å²	0	83.5 Å²	83.5	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-64.6	-39.8	171.8	0	0	0	0	0	111.7	T73 M74 E79 W80 F81 T87 F90 W91	T73-A77 PolarHBondContact O-N 2.86Å; M74-A77 PolarHBondContact O-N 2.8Å; A77-E79 PolarHBondContact O-N 3.26Å; A77-W80 PolarHBondContact O-N 3.07Å; A77-F81 WeakPolarHBondContact O-CD2 3.44Å; A77-F81 PolarHBondContact O-N 2.93Å; A77-F81 VanDerWaalsContact O-N 3.13Å; A77-T87 HydrophobicContact CB-CG2 4.09Å; A77-F90 HydrophobicContact CB-CD1 4.01Å; A77-F90 HydrophobicContact CB-CE1 4.08Å; A77-W91 HydrophobicContact CB-CE3 4.12Å
78	R	85.9	Confident	84.6	Confident	98 Å²	98	87.3 Å²	87.3	37%	0.37	40%	0.404	S	S	.	.	H	α-helix	trans	-64.6	-38.8	179	-161.6	178.7	69.3	75.1	5.4	112.5	M74 E75 E76 W80 E82 T87	M74-R78 WeakPolarHBondContact O-CB 3.35Å; M74-R78 PolarHBondContact O-N 3.24Å; E75-R78 WeakPolarHBondContact O-CB 3.37Å; E75-R78 PolarHBondContact O-N 3.34Å; E75-R78 VanDerWaalsContact O-N 3.17Å; E75-R78 IonicContact OE1-CZ 3.28Å; E75-R78 IonicContact OE1-NE 3.61Å; E75-R78 PolarHBondContact OE1-NE 3.08Å; E75-R78 IonicContact OE1-NH2 3.34Å; E75-R78 PolarHBondContact OE1-NH2 2.94Å; E75-R78 IonicContact OE2-CZ 3.8Å; E75-R78 IonicContact OE2-NE 3.18Å; E75-R78 PolarHBondContact OE2-NE 2.81Å; E75-R78 IonicContact OE2-NH2 3.8Å; E76-R78 VanDerWaalsContact C-N 3.35Å; R78-W80 VanDerWaalsContact C-N 3.26Å; R78-W80 PolarHBondContact O-N 3.26Å; R78-E82 WeakPolarHBondContact O-CA 3.38Å; R78-E82 PolarHBondContact O-N 3.13Å; R78-T87 WeakPolarHBondContact CA-OG1 3.47Å; R78-T87 HydrophobicContact CB-CG2 3.85Å; R78-T87 HydrophobicContact CG-CG2 4.29Å
79	E	83.8	Confident	84.9	Confident	118 Å²	118	86.1 Å²	86.1	55%	0.551	41%	0.405	S	S	*	.	H	α-helix	trans	-63.6	-30.2	174.8	-74.4	-179.4	179.1	0	0	112.7	E75 A77	E75-E79 WeakPolarHBondContact O-CG 3.3Å; E75-E79 PolarHBondContact O-N 3.09Å; A77-E79 PolarHBondContact O-N 3.26Å
80	W	82.6	Confident	85.2	Confident	95 Å²	95	82.7 Å²	82.7	36%	0.36	39%	0.389	S	S	.	.	H	α-helix	trans	-77.8	-49	175.7	166.2	-104.2	0	0	0	113.3	A61 L63 E76 A77 R78 E82	A61-W80 VanDerWaalsContact C-CE3 3.46Å; A61-W80 HydrophobicContact CB-CB 4.1Å; A61-W80 HydrophobicContact CB-CE3 3.94Å; A61-W80 WeakPolarHBondContact O-CZ3 2.96Å; L63-W80 HydrophobicContact CB-CD2 4.06Å; L63-W80 HydrophobicContact CB-CG 4.1Å; L63-W80 HydrophobicContact CB-CZ2 4.19Å; L63-W80 HydrophobicContact CD1-CG 4.33Å; E76-W80 PolarHBondContact O-N 2.84Å; A77-W80 PolarHBondContact O-N 3.07Å; R78-W80 VanDerWaalsContact C-N 3.26Å; R78-W80 PolarHBondContact O-N 3.26Å; W80-E82 VanDerWaalsContact C-N 3.33Å
81	F	84.6	Confident	85.5	Confident	50 Å²	50	83 Å²	83	22%	0.219	39%	0.388	C	S	.	.	H	α-helix	trans	-77.9	-21.6	-175.1	-70.9	-72	0	0	0	112.9	L63 A77 N83 K86 T87 F90	L63-F81 HydrophobicContact CD1-CE2 3.94Å; L63-F81 HydrophobicContact CD1-CZ 4.05Å; L63-F81 HydrophobicContact CD2-CZ 3.85Å; A77-F81 WeakPolarHBondContact O-CD2 3.44Å; A77-F81 PolarHBondContact O-N 2.93Å; A77-F81 VanDerWaalsContact O-N 3.13Å; F81-N83 WeakPolarHBondContact O-CB 3.42Å; F81-N83 PolarHBondContact O-N 3.23Å; F81-K86 HydrophobicContact CB-CB 4.04Å; F81-K86 HydrophobicContact CD1-CB 3.88Å; F81-K86 HydrophobicContact CG-CB 4.08Å; F81-T87 WeakPolarHBondContact CB-OG1 3.38Å; F81-F90 HydrophobicContact CD2-CB 4.32Å; F81-F90 HydrophobicContact CE2-CB 3.38Å; F81-F90 AromaticContact CE2-CD1 3.67Å; F81-F90 HydrophobicContact CE2-CD1 3.67Å; F81-F90 HydrophobicContact CE2-CD2 4.15Å; F81-F90 AromaticContact CE2-CG 3.44Å; F81-F90 HydrophobicContact CE2-CG 3.44Å; F81-F90 VanDerWaalsContact CE2-CG 3.44Å; F81-F90 HydrophobicContact CZ-CB 3.51Å; F81-F90 HydrophobicContact CZ-CD1 4.33Å; F81-F90 AromaticContact CZ-CD2 3.99Å; F81-F90 HydrophobicContact CZ-CD2 3.99Å; F81-F90 AromaticContact CZ-CG 3.67Å; F81-F90 HydrophobicContact CZ-CG 3.67Å
82	E	83.6	Confident	85.9	Confident	162 Å²	162	76 Å²	76	76%	0.757	36%	0.356	S	S	*	.			trans	49.6	24.9	-175.9	-60.8	178.1	-173	0	0	112.5	R78 W80	R78-E82 WeakPolarHBondContact O-CA 3.38Å; R78-E82 PolarHBondContact O-N 3.13Å; W80-E82 VanDerWaalsContact C-N 3.33Å
83	N	89.4	Confident	86.1	Confident	61 Å²	61	79.2 Å²	79.2	33%	0.326	37%	0.372	S	S	.	.	S	Bend	trans	-155.7	121.8	-172.9	178	-79.6	0	0	0	109.1	F81 E85 K86 T87	F81-N83 WeakPolarHBondContact O-CB 3.42Å; F81-N83 PolarHBondContact O-N 3.23Å; N83-E85 PolarHBondContact O-N 2.74Å; N83-E85 WeakPolarHBondContact OD1-CB 3.09Å; N83-E85 PolarHBondContact OD1-N 2.96Å; N83-E85 VanDerWaalsContact OD1-N 3.07Å; N83-K86 HydrophobicContact CB-CB 4.3Å; N83-K86 HydrophobicContact CB-CD 4.38Å; N83-K86 HydrophobicContact CB-CG 4.45Å; N83-K86 PolarHBondContact O-N 3.41Å; N83-K86 PolarHBondContact OD1-N 3.03Å; N83-T87 WeakPolarHBondContact O-CB 3.43Å; N83-T87 PolarHBondContact O-N 2.77Å; N83-T87 PolarHBondContact O-OG1 3.13Å
84	D	86.4	Confident	86	Confident	105 Å²	105	79.2 Å²	79.2	56%	0.561	37%	0.365	S	S	*	.	H	α-helix	trans	-66.2	-36.5	-173	-63.3	-20.4	0	0	0	112.4	T87 M88	D84-T87 PolarHBondContact O-N 3.29Å; D84-M88 WeakPolarHBondContact O-CB 3.22Å; D84-M88 VanDerWaalsContact O-CG 3.29Å; D84-M88 WeakPolarHBondContact O-CG 3.44Å; D84-M88 PolarHBondContact O-N 2.85Å
85	E	87.4	Confident	86.1	Confident	149 Å²	149	78.5 Å²	78.5	70%	0.696	37%	0.366	S	S	*	.	H	α-helix	trans	-64.5	-50.1	178.6	-65.7	-179.5	164	0	0	111.5	N83 T87 M88 E89	N83-E85 PolarHBondContact O-N 2.74Å; N83-E85 WeakPolarHBondContact OD1-CB 3.09Å; N83-E85 PolarHBondContact OD1-N 2.96Å; N83-E85 VanDerWaalsContact OD1-N 3.07Å; E85-T87 VanDerWaalsContact C-N 3.31Å; E85-T87 PolarHBondContact O-N 3.44Å; E85-M88 PolarHBondContact O-N 2.92Å; E85-E89 WeakPolarHBondContact O-CG 3.33Å; E85-E89 PolarHBondContact O-N 2.87Å
86	K	87.8	Confident	86.3	Confident	117 Å²	117	76.8 Å²	76.8	51%	0.509	36%	0.359	S	S	.	.	H	α-helix	trans	-65.4	-35.4	177.4	-69.6	-177.8	179.3	178.7	0	112.6	F81 N83 M88 F90	F81-K86 HydrophobicContact CB-CB 4.04Å; F81-K86 HydrophobicContact CD1-CB 3.88Å; F81-K86 HydrophobicContact CG-CB 4.08Å; N83-K86 HydrophobicContact CB-CB 4.3Å; N83-K86 HydrophobicContact CB-CD 4.38Å; N83-K86 HydrophobicContact CB-CG 4.45Å; N83-K86 PolarHBondContact O-N 3.41Å; N83-K86 PolarHBondContact OD1-N 3.03Å; K86-M88 VanDerWaalsContact C-N 3.34Å; K86-F90 PolarHBondContact O-N 2.9Å; K86-F90 VanDerWaalsContact O-N 3.08Å
87	T	88.5	Confident	86.5	Confident	4 Å²	4	79.7 Å²	79.7	3%	0.025	38%	0.377	C	S	.	.	H	α-helix	trans	-61.6	-46.8	174.4	-55.2	0	0	0	0	109.9	A77 R78 F81 N83 D84 E85 F90 W91	A77-T87 HydrophobicContact CB-CG2 4.09Å; R78-T87 WeakPolarHBondContact CA-OG1 3.47Å; R78-T87 HydrophobicContact CB-CG2 3.85Å; R78-T87 HydrophobicContact CG-CG2 4.29Å; F81-T87 WeakPolarHBondContact CB-OG1 3.38Å; N83-T87 WeakPolarHBondContact O-CB 3.43Å; N83-T87 PolarHBondContact O-N 2.77Å; N83-T87 PolarHBondContact O-OG1 3.13Å; D84-T87 PolarHBondContact O-N 3.29Å; E85-T87 VanDerWaalsContact C-N 3.31Å; E85-T87 PolarHBondContact O-N 3.44Å; T87-F90 PolarHBondContact O-N 3.04Å; T87-W91 WeakPolarHBondContact O-CB 3.5Å; T87-W91 PolarHBondContact O-N 3.35Å
88	M	85.8	Confident	86.5	Confident	85 Å²	85	82.1 Å²	82.1	42%	0.419	39%	0.39	S	S	.	.	H	α-helix	trans	-66.7	-42.2	178.4	-72.6	-59.6	-59.6	0	0	112.4	M74 D84 E85 K86 F90 W91 V92	M74-M88 HydrophobicContact SD-SD 4.39Å; D84-M88 WeakPolarHBondContact O-CB 3.22Å; D84-M88 VanDerWaalsContact O-CG 3.29Å; D84-M88 WeakPolarHBondContact O-CG 3.44Å; D84-M88 PolarHBondContact O-N 2.85Å; E85-M88 PolarHBondContact O-N 2.92Å; K86-M88 VanDerWaalsContact C-N 3.34Å; M88-F90 VanDerWaalsContact C-N 3.29Å; M88-F90 PolarHBondContact O-N 3.33Å; M88-W91 PolarHBondContact O-N 3.33Å; M88-V92 HydrophobicContact CE-CG2 4.41Å; M88-V92 WeakPolarHBondContact O-CB 3.37Å; M88-V92 WeakPolarHBondContact O-CG2 3.39Å; M88-V92 PolarHBondContact O-N 3.07Å
89	E	86.3	Confident	86.7	Confident	138 Å²	138	79.1 Å²	79.1	65%	0.645	38%	0.38	S	S	*	.	H	α-helix	trans	-56.4	-42.9	174.7	-74.9	177.7	170.2	0	0	112.1	E85	E85-E89 WeakPolarHBondContact O-CG 3.33Å; E85-E89 PolarHBondContact O-N 2.87Å
90	F	88.5	Confident	87.1	Confident	31 Å²	31	74.5 Å²	74.5	14%	0.136	36%	0.361	C	S	.	.	H	α-helix	trans	-69.4	-46.3	174.1	169.7	-97.6	0	0	0	112.2	L63 C67 A77 F81 K86 T87 M88 V92 I93 Y94	L63-F90 HydrophobicContact CD1-CD1 4.44Å; L63-F90 HydrophobicContact CD1-CD2 4.32Å; L63-F90 HydrophobicContact CD1-CE1 4.03Å; L63-F90 HydrophobicContact CD1-CE2 3.91Å; L63-F90 HydrophobicContact CD1-CZ 3.77Å; L63-F90 HydrophobicContact CD2-CD2 4.37Å; L63-F90 HydrophobicContact CD2-CE2 4.23Å; L63-F90 HydrophobicContact CG-CE2 4.35Å; C67-F90 HydrophobicContact CB-CE1 4.11Å; C67-F90 HydrophobicContact CB-CZ 3.65Å; A77-F90 HydrophobicContact CB-CD1 4.01Å; A77-F90 HydrophobicContact CB-CE1 4.08Å; F81-F90 HydrophobicContact CD2-CB 4.32Å; F81-F90 HydrophobicContact CE2-CB 3.38Å; F81-F90 AromaticContact CE2-CD1 3.67Å; F81-F90 HydrophobicContact CE2-CD1 3.67Å; F81-F90 HydrophobicContact CE2-CD2 4.15Å; F81-F90 AromaticContact CE2-CG 3.44Å; F81-F90 HydrophobicContact CE2-CG 3.44Å; F81-F90 VanDerWaalsContact CE2-CG 3.44Å; F81-F90 HydrophobicContact CZ-CB 3.51Å; F81-F90 HydrophobicContact CZ-CD1 4.33Å; F81-F90 AromaticContact CZ-CD2 3.99Å; F81-F90 HydrophobicContact CZ-CD2 3.99Å; F81-F90 AromaticContact CZ-CG 3.67Å; F81-F90 HydrophobicContact CZ-CG 3.67Å; K86-F90 PolarHBondContact O-N 2.9Å; K86-F90 VanDerWaalsContact O-N 3.08Å; T87-F90 PolarHBondContact O-N 3.04Å; M88-F90 VanDerWaalsContact C-N 3.29Å; M88-F90 PolarHBondContact O-N 3.33Å; F90-V92 PolarHBondContact O-N 2.97Å; F90-I93 PolarHBondContact O-N 3.14Å; F90-Y94 HydrophobicContact CE1-CD1 4.19Å; F90-Y94 HydrophobicContact CE1-CD2 4.25Å; F90-Y94 AromaticContact CE1-CG 3.82Å; F90-Y94 HydrophobicContact CE1-CG 3.82Å; F90-Y94 HydrophobicContact CE2-CD2 4.48Å; F90-Y94 HydrophobicContact CZ-CD1 4.47Å; F90-Y94 AromaticContact CZ-CD2 3.71Å; F90-Y94 HydrophobicContact CZ-CD2 3.71Å; F90-Y94 HydrophobicContact CZ-CE2 4.46Å; F90-Y94 AromaticContact CZ-CG 3.72Å; F90-Y94 HydrophobicContact CZ-CG 3.72Å; F90-Y94 WeakPolarHBondContact O-CB 3.01Å; F90-Y94 PolarHBondContact O-N 3.2Å
91	W	88.6	Confident	87.6	Confident	46 Å²	46	76.8 Å²	76.8	17%	0.174	38%	0.375	C	S	.	.	H	α-helix	trans	-65.7	-38.2	-171.2	-172	-103.5	0	0	0	112.4	C72 T73 M74 A77 T87 M88 Y94 T95	C72-W91 WeakPolarHBondContact O-CH2 3.32Å; T73-W91 VanDerWaalsContact C-CH2 3.43Å; M74-W91 HydrophobicContact CB-CD2 3.91Å; M74-W91 HydrophobicContact CB-CE3 4.13Å; M74-W91 HydrophobicContact CB-CH2 4.08Å; M74-W91 HydrophobicContact CB-CZ2 3.82Å; M74-W91 HydrophobicContact CB-CZ3 4.22Å; M74-W91 HydrophobicContact CG-CD2 3.92Å; M74-W91 HydrophobicContact CG-CE3 4.4Å; M74-W91 HydrophobicContact CG-CG 4.09Å; M74-W91 VanDerWaalsContact N-CZ3 3.29Å; A77-W91 HydrophobicContact CB-CE3 4.12Å; T87-W91 WeakPolarHBondContact O-CB 3.5Å; T87-W91 PolarHBondContact O-N 3.35Å; M88-W91 PolarHBondContact O-N 3.33Å; W91-Y94 AromaticContact CE3-CD1 3.79Å; W91-Y94 HydrophobicContact CE3-CD1 3.79Å; W91-Y94 HydrophobicContact CE3-CE1 4.33Å; W91-Y94 HydrophobicContact CH2-CD1 4.21Å; W91-Y94 HydrophobicContact CH2-CE1 4.1Å; W91-Y94 AromaticContact CZ3-CD1 3.59Å; W91-Y94 HydrophobicContact CZ3-CD1 3.59Å; W91-Y94 AromaticContact CZ3-CE1 3.66Å; W91-Y94 HydrophobicContact CZ3-CE1 3.66Å; W91-Y94 PolarHBondContact O-N 3.19Å; W91-T95 PolarHBondContact NE1-OG1 3.44Å; W91-T95 WeakPolarHBondContact O-CB 3.41Å; W91-T95 PolarHBondContact O-N 2.99Å; W91-T95 VanDerWaalsContact O-N 3.08Å; W91-T95 PolarHBondContact O-OG1 2.64Å
92	V	88.1	Confident	87.9	Confident	13 Å²	13	79.3 Å²	79.3	8%	0.079	40%	0.397	C	S	.	.	H	α-helix	trans	-57.4	-56.6	176.2	174.4	0	0	0	0	109.6	M88 F90 Y94 T95 D113 E114 V115	M88-V92 HydrophobicContact CE-CG2 4.41Å; M88-V92 WeakPolarHBondContact O-CB 3.37Å; M88-V92 WeakPolarHBondContact O-CG2 3.39Å; M88-V92 PolarHBondContact O-N 3.07Å; F90-V92 PolarHBondContact O-N 2.97Å; V92-Y94 VanDerWaalsContact C-N 3.31Å; V92-Y94 PolarHBondContact O-N 2.85Å; V92-T95 PolarHBondContact O-N 2.89Å; V92-D113 HydrophobicContact CG1-CB 4.09Å; V92-D113 VanDerWaalsContact CG1-OD2 3.29Å; V92-D113 WeakPolarHBondContact CG1-OD2 3.29Å; V92-E114 WeakPolarHBondContact CG1-O 3.31Å; V92-V115 HydrophobicContact CG2-CG2 3.82Å
93	I	86.5	Confident	88.3	Confident	78 Å²	78	79.9 Å²	79.9	40%	0.4	40%	0.397	S	S	.	.	H	α-helix	trans	-62.3	-39.3	179.7	-60	170.2	0	0	0	111.8	F90 T95 D97 D98	F90-I93 PolarHBondContact O-N 3.14Å; I93-T95 VanDerWaalsContact C-N 3.29Å; I93-T95 PolarHBondContact O-N 2.95Å; I93-D97 VanDerWaalsContact O-CA 3.25Å; I93-D97 WeakPolarHBondContact O-CA 3.41Å; I93-D97 PolarHBondContact O-N 3.02Å; I93-D98 HydrophobicContact CG1-CB 4.24Å; I93-D98 HydrophobicContact CG2-CB 4.23Å
94	Y	86.6	Confident	88.6	Confident	67 Å²	67	77.8 Å²	77.8	26%	0.263	39%	0.387	S	S	.	.	H	α-helix	trans	-67.4	-27.8	-176.7	175.1	-105.7	0	0	0	113.5	C67 Q71 C72 F90 W91 V92	C67-Y94 HydrophobicContact CB-CE2 4.38Å; C67-Y94 WeakPolarHBondContact O-CE2 3.5Å; Q71-Y94 WeakPolarHBondContact CA-OH 3.25Å; C72-Y94 PolarHBondContact N-OH 2.9Å; F90-Y94 HydrophobicContact CE1-CD1 4.19Å; F90-Y94 HydrophobicContact CE1-CD2 4.25Å; F90-Y94 AromaticContact CE1-CG 3.82Å; F90-Y94 HydrophobicContact CE1-CG 3.82Å; F90-Y94 HydrophobicContact CE2-CD2 4.48Å; F90-Y94 HydrophobicContact CZ-CD1 4.47Å; F90-Y94 AromaticContact CZ-CD2 3.71Å; F90-Y94 HydrophobicContact CZ-CD2 3.71Å; F90-Y94 HydrophobicContact CZ-CE2 4.46Å; F90-Y94 AromaticContact CZ-CG 3.72Å; F90-Y94 HydrophobicContact CZ-CG 3.72Å; F90-Y94 WeakPolarHBondContact O-CB 3.01Å; F90-Y94 PolarHBondContact O-N 3.2Å; W91-Y94 AromaticContact CE3-CD1 3.79Å; W91-Y94 HydrophobicContact CE3-CD1 3.79Å; W91-Y94 HydrophobicContact CE3-CE1 4.33Å; W91-Y94 HydrophobicContact CH2-CD1 4.21Å; W91-Y94 HydrophobicContact CH2-CE1 4.1Å; W91-Y94 AromaticContact CZ3-CD1 3.59Å; W91-Y94 HydrophobicContact CZ3-CD1 3.59Å; W91-Y94 AromaticContact CZ3-CE1 3.66Å; W91-Y94 HydrophobicContact CZ3-CE1 3.66Å; W91-Y94 PolarHBondContact O-N 3.19Å; V92-Y94 VanDerWaalsContact C-N 3.31Å; V92-Y94 PolarHBondContact O-N 2.85Å
95	T	86.6	Confident	89	Confident	74 Å²	74	73.7 Å²	73.7	45%	0.454	37%	0.366	S	S	.	.	H	α-helix	trans	-85.5	-35.9	-174.3	-47.3	0	0	0	0	112.3	W91 V92 I93	W91-T95 PolarHBondContact NE1-OG1 3.44Å; W91-T95 WeakPolarHBondContact O-CB 3.41Å; W91-T95 PolarHBondContact O-N 2.99Å; W91-T95 VanDerWaalsContact O-N 3.08Å; W91-T95 PolarHBondContact O-OG1 2.64Å; V92-T95 PolarHBondContact O-N 2.89Å; I93-T95 VanDerWaalsContact C-N 3.29Å; I93-T95 PolarHBondContact O-N 2.95Å
96	D	87.1	Confident	89.4	Confident	52 Å²	52	71.2 Å²	71.2	28%	0.278	36%	0.355	S	S	.	.	H	α-helix	trans	-149	24.7	-172.4	48.5	25.9	0	0	0	116.3	Q99 G116	D96-Q99 PolarHBondContact O-NE2 2.82Å; D96-Q99 PolarHBondContact OD1-NE2 3.32Å; D96-G116 WeakPolarHBondContact OD2-CA 3.44Å; D96-G116 PolarHBondContact OD2-N 3.15Å
97	D	87.3	Confident	89.6	Confident	131 Å²	131	69.4 Å²	69.4	70%	0.701	35%	0.35	S	S	*	.			trans	63.5	154.5	-179.9	-60.7	-47.9	0	0	0	114	I93 Q99	I93-D97 VanDerWaalsContact O-CA 3.25Å; I93-D97 WeakPolarHBondContact O-CA 3.41Å; I93-D97 PolarHBondContact O-N 3.02Å; D97-Q99 VanDerWaalsContact O-CD 3.31Å; D97-Q99 PolarHBondContact O-N 2.88Å; D97-Q99 VanDerWaalsContact O-N 3.09Å; D97-Q99 PolarHBondContact O-NE2 2.85Å
98	D	85.7	Confident	89.7	Confident	51 Å²	51	71.8 Å²	71.8	27%	0.273	38%	0.376	S	S	.	.			trans	-68.1	110.9	-178.1	-176	-14.7	0	0	0	111.6	I93 C100 E101	I93-D98 HydrophobicContact CG1-CB 4.24Å; I93-D98 HydrophobicContact CG2-CB 4.23Å; D98-C100 PolarHBondContact O-N 3.01Å; D98-C100 VanDerWaalsContact OD1-CA 3.29Å; D98-C100 WeakPolarHBondContact OD1-CA 3.25Å; D98-C100 WeakPolarHBondContact OD1-CB 3.27Å; D98-C100 PolarHBondContact OD1-N 3.48Å; D98-E101 HydrophobicContact CB-CG 3.89Å; D98-E101 PolarHBondContact O-N 3.12Å; D98-E101 PolarHBondContact OD1-N 2.55Å
99	Q	89.9	Confident	90.1	Very high	35 Å²	35	68.4 Å²	68.4	16%	0.164	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-4	-179.3	-59.4	111.4	46.3	0	0	113.3	D96 D97 P102 D113 E114 S117 Y118	D96-Q99 PolarHBondContact O-NE2 2.82Å; D96-Q99 PolarHBondContact OD1-NE2 3.32Å; D97-Q99 VanDerWaalsContact O-CD 3.31Å; D97-Q99 PolarHBondContact O-N 2.88Å; D97-Q99 VanDerWaalsContact O-N 3.09Å; D97-Q99 PolarHBondContact O-NE2 2.85Å; Q99-P102 WeakPolarHBondContact O-CD 3.3Å; Q99-D113 WeakPolarHBondContact CA-OD1 3.39Å; Q99-D113 VanDerWaalsContact CB-OD1 3.3Å; Q99-D113 WeakPolarHBondContact CB-OD1 3.34Å; Q99-D113 PolarHBondContact N-OD1 3.31Å; Q99-D113 PolarHBondContact OE1-OD1 2.04Å; Q99-E114 PolarHBondContact OE1-O 3.35Å; Q99-S117 PolarHBondContact OE1-O 3.38Å; Q99-Y118 HydrophobicContact CB-CD1 4.06Å
100	C	92.4	Very high	90.5	Very high	21 Å²	21	65.8 Å²	65.8	14%	0.142	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-16.1	170.9	-68	0	0	0	0	114.3	D98 P102 K103 C111 D113	D98-C100 PolarHBondContact O-N 3.01Å; D98-C100 VanDerWaalsContact OD1-CA 3.29Å; D98-C100 WeakPolarHBondContact OD1-CA 3.25Å; D98-C100 WeakPolarHBondContact OD1-CB 3.27Å; D98-C100 PolarHBondContact OD1-N 3.48Å; C100-P102 VanDerWaalsContact C-CD 3.46Å; C100-K103 VanDerWaalsContact O-CA 3.3Å; C100-K103 WeakPolarHBondContact O-CA 3.19Å; C100-K103 PolarHBondContact O-N 2.65Å; C100-C111 WeakPolarHBondContact CA-SG 3.45Å; C100-C111 HydrophobicContact CB-CB 3.66Å; C100-C111 WeakPolarHBondContact CB-SG 3.47Å; C100-C111 VanDerWaalsContact SG-C 3.54Å; C100-C111 WeakPolarHBondContact SG-CB 3.46Å; C100-C111 CovalentContact SG-SG 2.03Å; C100-C111 PolarHBondContact SG-SG 2.57Å; C100-D113 PolarHBondContact SG-N 3.13Å
101	E	92	Very high	90.8	Very high	142 Å²	142	65.9 Å²	65.9	66%	0.664	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-39.1	175.5	-85.5	-72.2	164.9	0	0	114.2	D98 K103	D98-E101 HydrophobicContact CB-CG 3.89Å; D98-E101 PolarHBondContact O-N 3.12Å; D98-E101 PolarHBondContact OD1-N 2.55Å; E101-K103 PolarHBondContact O-N 3.24Å
102	P	91.6	Very high	91	Very high	104 Å²	104	70.9 Å²	70.9	68%	0.675	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-4.2	172	-20.1	33	0	0	0	114.3	Q99 C100	Q99-P102 WeakPolarHBondContact O-CD 3.3Å; C100-P102 VanDerWaalsContact C-CD 3.46Å
103	K	92.3	Very high	91.1	Very high	174 Å²	174	71.9 Å²	71.9	76%	0.757	38%	0.384	S	S	*	.			trans	49.7	59.1	-172.5	-63.1	174.4	-174.9	173.7	0	111.5	C100 E101 C105	C100-K103 VanDerWaalsContact O-CA 3.3Å; C100-K103 WeakPolarHBondContact O-CA 3.19Å; C100-K103 PolarHBondContact O-N 2.65Å; E101-K103 PolarHBondContact O-N 3.24Å; K103-C105 PolarHBondContact O-N 2.8Å
104	P	94.6	Very high	91.1	Very high	17 Å²	17	72 Å²	72	11%	0.11	38%	0.383	C	S	.	.			trans	-67	-26.2	-173	28.4	-35.9	0	0	0	113.1	Y118 N130	P104-Y118 HydrophobicContact CB-CD2 4.13Å; P104-Y118 HydrophobicContact CB-CE1 3.97Å; P104-Y118 HydrophobicContact CB-CE2 3.54Å; P104-Y118 VanDerWaalsContact CB-CZ 3.43Å; P104-Y118 HydrophobicContact CG-CD1 4.07Å; P104-Y118 HydrophobicContact CG-CD2 3.6Å; P104-Y118 HydrophobicContact CG-CE1 4.03Å; P104-Y118 HydrophobicContact CG-CE2 3.58Å; P104-Y118 HydrophobicContact CG-CG 3.86Å; P104-N130 VanDerWaalsContact O-CB 3.3Å; P104-N130 WeakPolarHBondContact O-CB 3.49Å; P104-N130 PolarHBondContact O-ND2 2.82Å
105	C	96.3	Very high	91.1	Very high	18 Å²	18	72.8 Å²	72.8	12%	0.122	39%	0.394	C	S	.	.			trans	-77.7	119.6	179.9	-49.8	0	0	0	0	111.7	K103 C111 C120	K103-C105 PolarHBondContact O-N 2.8Å; C105-C111 HydrophobicContact CB-CB 4.43Å; C105-C111 WeakPolarHBondContact SG-CA 3.45Å; C105-C111 WeakPolarHBondContact SG-CB 3.36Å; C105-C120 WeakPolarHBondContact CA-SG 3.48Å; C105-C120 HydrophobicContact CB-CB 3.84Å; C105-C120 WeakPolarHBondContact CB-SG 3.4Å; C105-C120 WeakPolarHBondContact SG-CA 3.2Å; C105-C120 WeakPolarHBondContact SG-CB 3.37Å; C105-C120 CovalentContact SG-SG 2.02Å; C105-C120 PolarHBondContact SG-SG 3.3Å
106	Q	94.3	Very high	91.1	Very high	98 Å²	98	72.1 Å²	72.1	46%	0.458	40%	0.402	S	S	.	.			trans	-90.8	172.8	-179.8	-55.6	-178.6	24.8	0	0	111.3	G108 G109 N130 C131	Q106-G108 PolarHBondContact O-N 2.63Å; Q106-G108 VanDerWaalsContact O-N 3.11Å; Q106-G109 PolarHBondContact O-N 2.87Å; Q106-N130 WeakPolarHBondContact CB-O 3.39Å; Q106-N130 PolarHBondContact N-O 2.89Å; Q106-C131 WeakPolarHBondContact O-CB 3.18Å
107	N	92	Very high	91.2	Very high	79 Å²	79	71.7 Å²	71.7	42%	0.422	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	35.3	170.1	-57.9	-52.6	0	0	0	115	G109 Q123 F126 C131	N107-G109 VanDerWaalsContact C-N 3.3Å; N107-G109 PolarHBondContact O-N 3.44Å; N107-Q123 WeakPolarHBondContact O-CG 3.44Å; N107-F126 HydrophobicContact CB-CD1 3.62Å; N107-F126 HydrophobicContact CB-CD2 3.99Å; N107-F126 HydrophobicContact CB-CE1 3.62Å; N107-F126 HydrophobicContact CB-CE2 3.99Å; N107-F126 HydrophobicContact CB-CG 3.8Å; N107-F126 HydrophobicContact CB-CZ 3.81Å; N107-F126 VanDerWaalsContact ND2-CD1 3.33Å; N107-F126 WeakPolarHBondContact ND2-CD1 3.24Å; N107-F126 VanDerWaalsContact ND2-CE1 3.34Å; N107-F126 WeakPolarHBondContact ND2-CE1 3.1Å; N107-C131 PolarHBondContact ND2-O 2.9Å
108	G	90.9	Very high	91.5	Very high	54 Å²	54	67.5 Å²	67.5	56%	0.557	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	13.8	178.9	0	0	0	0	0	114.6	Q106 Q123	Q106-G108 PolarHBondContact O-N 2.63Å; Q106-G108 VanDerWaalsContact O-N 3.11Å; G108-Q123 VanDerWaalsContact O-CG 3.26Å; G108-Q123 WeakPolarHBondContact O-CG 3.2Å; G108-Q123 PolarHBondContact O-NE2 3Å
109	G	93.9	Very high	91.8	Very high	14 Å²	14	66.9 Å²	66.9	14%	0.144	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-63.7	144.2	172.7	0	0	0	0	0	112.3	Q106 N107 Y121	Q106-G109 PolarHBondContact O-N 2.87Å; N107-G109 VanDerWaalsContact C-N 3.3Å; N107-G109 PolarHBondContact O-N 3.44Å; G109-Y121 CarbonylContact C-O 3.23Å; G109-Y121 VanDerWaalsContact CA-O 3.26Å; G109-Y121 WeakPolarHBondContact CA-O 3.5Å
110	V	95.9	Very high	92.1	Very high	82 Å²	82	66.3 Å²	66.3	50%	0.497	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	124.5	178	-178.4	0	0	0	0	108.8	Y121	V110-Y121 PolarHBondContact N-O 2.84Å; V110-Y121 PolarHBondContact O-N 3.03Å
111	C	94.9	Very high	92.2	Very high	34 Å²	34	70.8 Å²	70.8	23%	0.23	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	137.5	177.1	-165.3	0	0	0	0	110.7	C100 C105	C100-C111 WeakPolarHBondContact CA-SG 3.45Å; C100-C111 HydrophobicContact CB-CB 3.66Å; C100-C111 WeakPolarHBondContact CB-SG 3.47Å; C100-C111 VanDerWaalsContact SG-C 3.54Å; C100-C111 WeakPolarHBondContact SG-CB 3.46Å; C100-C111 CovalentContact SG-SG 2.03Å; C100-C111 PolarHBondContact SG-SG 2.57Å; C105-C111 HydrophobicContact CB-CB 4.43Å; C105-C111 WeakPolarHBondContact SG-CA 3.45Å; C105-C111 WeakPolarHBondContact SG-CB 3.36Å
112	R	92.7	Very high	92.3	Very high	150 Å²	150	66 Å²	66	57%	0.566	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.9	131.3	162.7	-64.8	-166.4	-175.7	-170.6	-5.8	109.5	Y118 S119 Y121	R112-Y118 WeakPolarHBondContact O-CA 3.36Å; R112-S119 PolarHBondContact N-O 3.47Å; R112-S119 PolarHBondContact O-N 2.98Å; R112-Y121 HydrophobicContact CB-CD2 4.47Å; R112-Y121 HydrophobicContact CB-CE2 3.82Å; R112-Y121 HydrophobicContact CG-CD2 3.89Å; R112-Y121 HydrophobicContact CG-CE2 3.42Å; R112-Y121 VanDerWaalsContact CG-CE2 3.42Å
113	D	88.8	Confident	92.1	Very high	34 Å²	34	65.7 Å²	65.7	18%	0.182	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	140.6	176.8	-156.4	40.4	0	0	0	109.8	V92 Q99 C100	V92-D113 HydrophobicContact CG1-CB 4.09Å; V92-D113 VanDerWaalsContact CG1-OD2 3.29Å; V92-D113 WeakPolarHBondContact CG1-OD2 3.29Å; Q99-D113 WeakPolarHBondContact CA-OD1 3.39Å; Q99-D113 VanDerWaalsContact CB-OD1 3.3Å; Q99-D113 WeakPolarHBondContact CB-OD1 3.34Å; Q99-D113 PolarHBondContact N-OD1 3.31Å; Q99-D113 PolarHBondContact OE1-OD1 2.04Å; C100-D113 PolarHBondContact SG-N 3.13Å
114	E	86.9	Confident	91.3	Very high	81 Å²	81	64.2 Å²	64.2	38%	0.379	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	165.5	176.5	-59.8	178.4	-171.8	0	0	108.9	V92 Q99 G116 S117 S119	V92-E114 WeakPolarHBondContact CG1-O 3.31Å; Q99-E114 PolarHBondContact OE1-O 3.35Å; E114-G116 PolarHBondContact O-N 2.9Å; E114-S117 CarbonylContact C-O 3.55Å; E114-S117 VanDerWaalsContact C-O 3.23Å; E114-S117 VanDerWaalsContact CA-O 3.23Å; E114-S117 WeakPolarHBondContact CA-O 3.46Å; E114-S117 VanDerWaalsContact CB-O 3.25Å; E114-S117 WeakPolarHBondContact CB-O 3.46Å; E114-S117 PolarHBondContact N-O 3.08Å; E114-S117 PolarHBondContact O-N 2.8Å; E114-S119 VanDerWaalsContact CD-OG 3.29Å; E114-S119 VanDerWaalsContact OE1-CB 3.23Å; E114-S119 WeakPolarHBondContact OE1-CB 3.11Å; E114-S119 PolarHBondContact OE1-OG 3.44Å
115	V	87.1	Confident	90.6	Very high	84 Å²	84	65.7 Å²	65.7	51%	0.509	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	112.7	-179.7	-174.8	0	0	0	0	109.6	V92 S117	V92-V115 HydrophobicContact CG2-CG2 3.82Å; V115-S117 VanDerWaalsContact C-N 3.32Å; V115-S117 PolarHBondContact O-N 3.43Å
116	G	85.5	Confident	90.1	Very high	59 Å²	59	67.3 Å²	67.3	61%	0.608	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.5	6.5	174.9	0	0	0	0	0	114.7	D96 E114	D96-G116 WeakPolarHBondContact OD2-CA 3.44Å; D96-G116 PolarHBondContact OD2-N 3.15Å; E114-G116 PolarHBondContact O-N 2.9Å
117	S	90.7	Very high	89.7	Confident	43 Å²	43	69.8 Å²	69.8	30%	0.301	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	165.1	-177.6	-173.7	0	0	0	0	111.2	Q99 E114 V115	Q99-S117 PolarHBondContact OE1-O 3.38Å; E114-S117 CarbonylContact C-O 3.55Å; E114-S117 VanDerWaalsContact C-O 3.23Å; E114-S117 VanDerWaalsContact CA-O 3.23Å; E114-S117 WeakPolarHBondContact CA-O 3.46Å; E114-S117 VanDerWaalsContact CB-O 3.25Å; E114-S117 WeakPolarHBondContact CB-O 3.46Å; E114-S117 PolarHBondContact N-O 3.08Å; E114-S117 PolarHBondContact O-N 2.8Å; V115-S117 VanDerWaalsContact C-N 3.32Å; V115-S117 PolarHBondContact O-N 3.43Å
118	Y	92.1	Very high	89.6	Confident	43 Å²	43	67.6 Å²	67.6	17%	0.169	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	160.2	167.9	62.3	-86.2	0	0	0	111.3	Q99 P104 R112 K129 N130	Q99-Y118 HydrophobicContact CB-CD1 4.06Å; P104-Y118 HydrophobicContact CB-CD2 4.13Å; P104-Y118 HydrophobicContact CB-CE1 3.97Å; P104-Y118 HydrophobicContact CB-CE2 3.54Å; P104-Y118 VanDerWaalsContact CB-CZ 3.43Å; P104-Y118 HydrophobicContact CG-CD1 4.07Å; P104-Y118 HydrophobicContact CG-CD2 3.6Å; P104-Y118 HydrophobicContact CG-CE1 4.03Å; P104-Y118 HydrophobicContact CG-CE2 3.58Å; P104-Y118 HydrophobicContact CG-CG 3.86Å; R112-Y118 WeakPolarHBondContact O-CA 3.36Å; Y118-K129 HydrophobicContact CE2-CG 4.49Å; Y118-N130 VanDerWaalsContact OH-CG 3.32Å; Y118-N130 PolarHBondContact OH-ND2 3.39Å; Y118-N130 PolarHBondContact OH-OD1 2.84Å
119	S	93.8	Very high	89.6	Confident	38 Å²	38	71.1 Å²	71.1	27%	0.266	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	128.9	171.2	-79.4	0	0	0	0	110.7	R112 E114	R112-S119 PolarHBondContact N-O 3.47Å; R112-S119 PolarHBondContact O-N 2.98Å; E114-S119 VanDerWaalsContact CD-OG 3.29Å; E114-S119 VanDerWaalsContact OE1-CB 3.23Å; E114-S119 WeakPolarHBondContact OE1-CB 3.11Å; E114-S119 PolarHBondContact OE1-OG 3.44Å
120	C	96.1	Very high	89.6	Confident	24 Å²	24	72 Å²	72	16%	0.162	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	122.5	174	-67.7	0	0	0	0	111.7	C105 C122 K129	C105-C120 WeakPolarHBondContact CA-SG 3.48Å; C105-C120 HydrophobicContact CB-CB 3.84Å; C105-C120 WeakPolarHBondContact CB-SG 3.4Å; C105-C120 WeakPolarHBondContact SG-CA 3.2Å; C105-C120 WeakPolarHBondContact SG-CB 3.37Å; C105-C120 CovalentContact SG-SG 2.02Å; C105-C120 PolarHBondContact SG-SG 3.3Å; C120-C122 PolarHBondContact O-N 3.05Å; C120-K129 WeakPolarHBondContact CB-O 3.3Å; C120-K129 PolarHBondContact SG-O 2.86Å
121	Y	94.2	Very high	89.5	Confident	114 Å²	114	68.1 Å²	68.1	45%	0.447	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	97.9	170.3	-63	-96.3	0	0	0	108.5	G109 V110 R112	G109-Y121 CarbonylContact C-O 3.23Å; G109-Y121 VanDerWaalsContact CA-O 3.26Å; G109-Y121 WeakPolarHBondContact CA-O 3.5Å; V110-Y121 PolarHBondContact N-O 2.84Å; V110-Y121 PolarHBondContact O-N 3.03Å; R112-Y121 HydrophobicContact CB-CD2 4.47Å; R112-Y121 HydrophobicContact CB-CE2 3.82Å; R112-Y121 HydrophobicContact CG-CD2 3.89Å; R112-Y121 HydrophobicContact CG-CE2 3.42Å; R112-Y121 VanDerWaalsContact CG-CE2 3.42Å
122	C	92.9	Very high	89.4	Confident	43 Å²	43	70.6 Å²	70.6	29%	0.291	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-73.4	147	-173.8	-55.5	0	0	0	0	113.1	C120 F126 C131	C120-C122 PolarHBondContact O-N 3.05Å; C122-F126 HydrophobicContact CB-CB 4.17Å; C122-F126 VanDerWaalsContact CB-O 3.29Å; C122-F126 WeakPolarHBondContact CB-O 3.15Å; C122-C131 WeakPolarHBondContact CA-SG 3.34Å; C122-C131 HydrophobicContact CB-CB 3.74Å; C122-C131 WeakPolarHBondContact CB-SG 3.26Å; C122-C131 WeakPolarHBondContact SG-CA 3.33Å; C122-C131 WeakPolarHBondContact SG-CB 3.39Å; C122-C131 CovalentContact SG-SG 2.03Å; C122-C131 PolarHBondContact SG-SG 2.98Å
123	Q	88.9	Confident	89	Confident	97 Å²	97	67.8 Å²	67.8	45%	0.453	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-62.1	161.5	167.2	-67.3	-63.8	-23.5	0	0	110.8	N107 G108 D125 F126	N107-Q123 WeakPolarHBondContact O-CG 3.44Å; G108-Q123 VanDerWaalsContact O-CG 3.26Å; G108-Q123 WeakPolarHBondContact O-CG 3.2Å; G108-Q123 PolarHBondContact O-NE2 3Å; Q123-D125 PolarHBondContact O-N 3.1Å; Q123-F126 HydrophobicContact CB-CD2 4.42Å; Q123-F126 PolarHBondContact O-N 3.09Å
124	E	74.8	Confident	88.5	Confident	142 Å²	142	73 Å²	73	66%	0.664	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	134.9	174	-61.4	-165	175.6	0	0	110.4	R137	E124-R137 IonicContact OE2-CZ 3.1Å; E124-R137 IonicContact OE2-NH1 3.82Å; E124-R137 IonicContact OE2-NH2 2.75Å; E124-R137 PolarHBondContact OE2-NH2 3.42Å
125	D	79.8	Confident	87.7	Confident	49 Å²	49	73.1 Å²	73.1	26%	0.262	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.8	3.4	-179	-52.4	-38.6	0	0	0	117.8	Q123 Y134 M135 R137	Q123-D125 PolarHBondContact O-N 3.1Å; D125-Y134 HydrophobicContact CB-CE2 4.15Å; D125-M135 PolarHBondContact O-N 2.97Å; D125-R137 VanDerWaalsContact CG-NH2 3.3Å; D125-R137 WeakPolarHBondContact OD1-CD 3.32Å; D125-R137 WeakPolarHBondContact OD1-CG 3.23Å; D125-R137 IonicContact OD1-CZ 3.4Å; D125-R137 IonicContact OD1-NE 3.77Å; D125-R137 PolarHBondContact OD1-NE 2.85Å; D125-R137 IonicContact OD1-NH2 2.55Å; D125-R137 PolarHBondContact OD1-NH2 2.95Å; D125-R137 IonicContact OD2-CZ 2.63Å; D125-R137 IonicContact OD2-NE 2.99Å; D125-R137 PolarHBondContact OD2-NE 2.93Å; D125-R137 IonicContact OD2-NH2 2.85Å; D125-R137 PolarHBondContact OD2-NH2 3.43Å
126	F	86.8	Confident	86.6	Confident	51 Å²	51	72.4 Å²	72.4	22%	0.224	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	143.9	174.7	-65	-86.9	0	0	0	112.2	N107 C122 Q123 C131 I133 Y134	N107-F126 HydrophobicContact CB-CD1 3.62Å; N107-F126 HydrophobicContact CB-CD2 3.99Å; N107-F126 HydrophobicContact CB-CE1 3.62Å; N107-F126 HydrophobicContact CB-CE2 3.99Å; N107-F126 HydrophobicContact CB-CG 3.8Å; N107-F126 HydrophobicContact CB-CZ 3.81Å; N107-F126 VanDerWaalsContact ND2-CD1 3.33Å; N107-F126 WeakPolarHBondContact ND2-CD1 3.24Å; N107-F126 VanDerWaalsContact ND2-CE1 3.34Å; N107-F126 WeakPolarHBondContact ND2-CE1 3.1Å; C122-F126 HydrophobicContact CB-CB 4.17Å; C122-F126 VanDerWaalsContact CB-O 3.29Å; C122-F126 WeakPolarHBondContact CB-O 3.15Å; Q123-F126 HydrophobicContact CB-CD2 4.42Å; Q123-F126 PolarHBondContact O-N 3.09Å; F126-C131 HydrophobicContact CB-CB 4.19Å; F126-I133 WeakPolarHBondContact CA-O 3.38Å; F126-Y134 HydrophobicContact CD1-CD2 4.39Å; F126-Y134 AromaticContact CE1-CD2 3.78Å; F126-Y134 HydrophobicContact CE1-CD2 3.78Å; F126-Y134 HydrophobicContact CE1-CG 4.39Å; F126-Y134 HydrophobicContact CE2-CD2 4.41Å; F126-Y134 AromaticContact CZ-CD2 3.79Å; F126-Y134 HydrophobicContact CZ-CD2 3.79Å; F126-Y134 HydrophobicContact CZ-CE2 4.45Å
127	R	85.6	Confident	85.8	Confident	151 Å²	151	71.6 Å²	71.6	57%	0.57	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.4	-179.3	174.3	-67.4	-165.3	-179.9	-156.6	-0.5	110	C131 E132 I133 M135	R127-C131 CarbonylContact O-C 3.53Å; R127-C131 WeakPolarHBondContact O-CA 3.38Å; R127-E132 PolarHBondContact O-N 3.23Å; R127-I133 PolarHBondContact N-O 3.14Å; R127-I133 WeakPolarHBondContact O-CA 3.48Å; R127-I133 VanDerWaalsContact O-CB 3.28Å; R127-I133 WeakPolarHBondContact O-CB 3.2Å; R127-I133 PolarHBondContact O-N 3.46Å; R127-M135 HydrophobicContact CG-SD 4.49Å
128	G	88.4	Confident	85.2	Confident	33 Å²	33	77.8 Å²	77.8	34%	0.34	37%	0.366	S	S	.	.	S	Bend	trans	104	166.8	-173.9	0	0	0	0	0	110.6	N130 C131 E132	G128-N130 PolarHBondContact O-N 2.85Å; G128-C131 PolarHBondContact O-N 2.72Å; G128-E132 WeakPolarHBondContact CA-OE2 3.41Å
129	K	91.8	Very high	84.8	Confident	128 Å²	128	76.4 Å²	76.4	56%	0.557	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-28.9	-179.1	-175.8	176.3	178.1	174.3	0	111	Y118 C120 E132	Y118-K129 HydrophobicContact CE2-CG 4.49Å; C120-K129 WeakPolarHBondContact CB-O 3.3Å; C120-K129 PolarHBondContact SG-O 2.86Å; K129-E132 PolarHBondContact N-OE2 3.31Å
130	N	94.6	Very high	84.2	Confident	33 Å²	33	79.6 Å²	79.6	18%	0.176	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.2	15.5	-173.5	-67	47.4	0	0	0	111.5	P104 Q106 Y118 G128 E132	P104-N130 VanDerWaalsContact O-CB 3.3Å; P104-N130 WeakPolarHBondContact O-CB 3.49Å; P104-N130 PolarHBondContact O-ND2 2.82Å; Q106-N130 WeakPolarHBondContact CB-O 3.39Å; Q106-N130 PolarHBondContact N-O 2.89Å; Y118-N130 VanDerWaalsContact OH-CG 3.32Å; Y118-N130 PolarHBondContact OH-ND2 3.39Å; Y118-N130 PolarHBondContact OH-OD1 2.84Å; G128-N130 PolarHBondContact O-N 2.85Å; N130-E132 VanDerWaalsContact CA-OE2 3.23Å; N130-E132 WeakPolarHBondContact CA-OE2 3.2Å; N130-E132 VanDerWaalsContact CB-OE2 3.32Å; N130-E132 WeakPolarHBondContact CB-OE2 3.09Å; N130-E132 PolarHBondContact N-OE2 3.07Å; N130-E132 PolarHBondContact O-N 3.08Å
131	C	93.8	Very high	83.3	Confident	0 Å²	0	81.4 Å²	81.4	0%	0	40%	0.395	C	S	.	.	S	Bend	trans	57.9	26.5	-174.3	-48.1	0	0	0	0	114.1	Q106 N107 C122 F126 R127 G128	Q106-C131 WeakPolarHBondContact O-CB 3.18Å; N107-C131 PolarHBondContact ND2-O 2.9Å; C122-C131 WeakPolarHBondContact CA-SG 3.34Å; C122-C131 HydrophobicContact CB-CB 3.74Å; C122-C131 WeakPolarHBondContact CB-SG 3.26Å; C122-C131 WeakPolarHBondContact SG-CA 3.33Å; C122-C131 WeakPolarHBondContact SG-CB 3.39Å; C122-C131 CovalentContact SG-SG 2.03Å; C122-C131 PolarHBondContact SG-SG 2.98Å; F126-C131 HydrophobicContact CB-CB 4.19Å; R127-C131 CarbonylContact O-C 3.53Å; R127-C131 WeakPolarHBondContact O-CA 3.38Å; G128-C131 PolarHBondContact O-N 2.72Å
132	E	92.9	Very high	82.5	Confident	85 Å²	85	79.9 Å²	79.9	40%	0.397	39%	0.394	S	S	.	.			trans	-81	-18.5	-175.1	72.9	-77.8	-169.9	0	0	113.4	R127 G128 K129 N130	R127-E132 PolarHBondContact O-N 3.23Å; G128-E132 WeakPolarHBondContact CA-OE2 3.41Å; K129-E132 PolarHBondContact N-OE2 3.31Å; N130-E132 VanDerWaalsContact CA-OE2 3.23Å; N130-E132 WeakPolarHBondContact CA-OE2 3.2Å; N130-E132 VanDerWaalsContact CB-OE2 3.32Å; N130-E132 WeakPolarHBondContact CB-OE2 3.09Å; N130-E132 PolarHBondContact N-OE2 3.07Å; N130-E132 PolarHBondContact O-N 3.08Å
133	I	83.5	Confident	82.1	Confident	92 Å²	92	78.4 Å²	78.4	47%	0.472	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	109.6	-175.8	-51.7	178.2	0	0	0	108.9	F126 R127 M135	F126-I133 WeakPolarHBondContact CA-O 3.38Å; R127-I133 PolarHBondContact N-O 3.14Å; R127-I133 WeakPolarHBondContact O-CA 3.48Å; R127-I133 VanDerWaalsContact O-CB 3.28Å; R127-I133 WeakPolarHBondContact O-CB 3.2Å; R127-I133 PolarHBondContact O-N 3.46Å; I133-M135 PolarHBondContact O-N 3.22Å
134	Y	79	Confident	81.9	Confident	143 Å²	143	73.8 Å²	73.8	56%	0.561	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72	116.9	166.1	-179.1	-110.9	0	0	0	109.7	D125 F126 P136	D125-Y134 HydrophobicContact CB-CE2 4.15Å; F126-Y134 HydrophobicContact CD1-CD2 4.39Å; F126-Y134 AromaticContact CE1-CD2 3.78Å; F126-Y134 HydrophobicContact CE1-CD2 3.78Å; F126-Y134 HydrophobicContact CE1-CG 4.39Å; F126-Y134 HydrophobicContact CE2-CD2 4.41Å; F126-Y134 AromaticContact CZ-CD2 3.79Å; F126-Y134 HydrophobicContact CZ-CD2 3.79Å; F126-Y134 HydrophobicContact CZ-CE2 4.45Å; Y134-P136 HydrophobicContact CE1-CB 4.09Å; Y134-P136 VanDerWaalsContact O-CD 3.27Å; Y134-P136 WeakPolarHBondContact O-CD 3.1Å
135	M	68.8	Low	82.4	Confident	83 Å²	83	67.8 Å²	67.8	41%	0.409	34%	0.338	S	S	.	.			trans	-103.6	98	178.4	-158.1	177.8	-162.4	0	0	108.6	D125 R127 I133 R137	D125-M135 PolarHBondContact O-N 2.97Å; R127-M135 HydrophobicContact CG-SD 4.49Å; I133-M135 PolarHBondContact O-N 3.22Å; M135-R137 PolarHBondContact O-N 2.76Å; M135-R137 VanDerWaalsContact O-N 3.11Å
136	P	64.9	Low	82.8	Confident	69 Å²	69	65.4 Å²	65.4	45%	0.448	33%	0.326	S	S	.	.			trans	-58.8	123.4	177.7	22.6	-31.5	0	0	0	108.9	Y134 R138	Y134-P136 HydrophobicContact CE1-CB 4.09Å; Y134-P136 VanDerWaalsContact O-CD 3.27Å; Y134-P136 WeakPolarHBondContact O-CD 3.1Å; P136-R138 PolarHBondContact O-N 3.05Å
137	R	68.6	Low	82.9	Confident	42 Å²	42	64.1 Å²	64.1	16%	0.158	32%	0.324	C	S	.	.			trans	-55.5	115.7	179.7	-63.6	-166.1	-164.1	-145.2	-8.3	108.7	E124 D125 M135 P157	E124-R137 IonicContact OE2-CZ 3.1Å; E124-R137 IonicContact OE2-NH1 3.82Å; E124-R137 IonicContact OE2-NH2 2.75Å; E124-R137 PolarHBondContact OE2-NH2 3.42Å; D125-R137 VanDerWaalsContact CG-NH2 3.3Å; D125-R137 WeakPolarHBondContact OD1-CD 3.32Å; D125-R137 WeakPolarHBondContact OD1-CG 3.23Å; D125-R137 IonicContact OD1-CZ 3.4Å; D125-R137 IonicContact OD1-NE 3.77Å; D125-R137 PolarHBondContact OD1-NE 2.85Å; D125-R137 IonicContact OD1-NH2 2.55Å; D125-R137 PolarHBondContact OD1-NH2 2.95Å; D125-R137 IonicContact OD2-CZ 2.63Å; D125-R137 IonicContact OD2-NE 2.99Å; D125-R137 PolarHBondContact OD2-NE 2.93Å; D125-R137 IonicContact OD2-NH2 2.85Å; D125-R137 PolarHBondContact OD2-NH2 3.43Å; M135-R137 PolarHBondContact O-N 2.76Å; M135-R137 VanDerWaalsContact O-N 3.11Å; R137-P157 HydrophobicContact CB-CG 4.37Å; R137-P157 VanDerWaalsContact O-CD 3.24Å; R137-P157 WeakPolarHBondContact O-CD 3.35Å; R137-P157 VanDerWaalsContact O-CG 3.25Å; R137-P157 WeakPolarHBondContact O-CG 3.42Å
138	R	78.8	Confident	83.2	Confident	173 Å²	173	57.1 Å²	57.1	65%	0.653	30%	0.298	S	S	*	.			trans	-92.5	156.9	166	-63.1	-177.3	-176.2	176	1.7	107.5	P136 S140 V141 G144	P136-R138 PolarHBondContact O-N 3.05Å; R138-S140 PolarHBondContact O-N 2.88Å; R138-S140 VanDerWaalsContact O-N 3.11Å; R138-V141 PolarHBondContact O-N 2.92Å; R138-V141 VanDerWaalsContact O-O 3.1Å; R138-G144 PolarHBondContact O-N 2.85Å
139	C	83.6	Confident	83.3	Confident	14 Å²	14	55.7 Å²	55.7	10%	0.095	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-29.8	173.4	-62.7	0	0	0	0	112.4	V141 N143 C150 T151	C139-V141 PolarHBondContact O-N 2.91Å; C139-V141 VanDerWaalsContact O-N 3.13Å; C139-N143 WeakPolarHBondContact O-CA 3.22Å; C139-N143 PolarHBondContact O-N 3.4Å; C139-C150 WeakPolarHBondContact CA-SG 3.34Å; C139-C150 HydrophobicContact CB-CB 3.64Å; C139-C150 WeakPolarHBondContact CB-SG 3.29Å; C139-C150 WeakPolarHBondContact SG-CB 3.49Å; C139-C150 CovalentContact SG-SG 2.04Å; C139-C150 PolarHBondContact SG-SG 3.13Å; C139-T151 PolarHBondContact SG-N 2.93Å; C139-T151 VanDerWaalsContact SG-N 3.41Å; C139-T151 PolarHBondContact SG-O 3.22Å
140	S	79.9	Confident	83.2	Confident	106 Å²	106	50.3 Å²	50.3	74%	0.741	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-10	176.4	-44.9	0	0	0	0	115.1	R138	R138-S140 PolarHBondContact O-N 2.88Å; R138-S140 VanDerWaalsContact O-N 3.11Å
141	V	77.3	Confident	82.9	Confident	62 Å²	62	51.3 Å²	51.3	38%	0.376	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.7	115.8	-179.8	-177.3	0	0	0	0	108.4	R138 C139 N143 G144	R138-V141 PolarHBondContact O-N 2.92Å; R138-V141 VanDerWaalsContact O-O 3.1Å; C139-V141 PolarHBondContact O-N 2.91Å; C139-V141 VanDerWaalsContact O-N 3.13Å; V141-N143 PolarHBondContact O-N 2.92Å; V141-N143 VanDerWaalsContact O-N 3.13Å; V141-G144 PolarHBondContact O-N 2.85Å
142	N	78.3	Confident	82.5	Confident	81 Å²	81	55.4 Å²	55.4	43%	0.433	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	47.7	40.7	-178.5	-171.6	18.1	0	0	0	112.3	G144 G145	N142-G144 PolarHBondContact O-N 3.29Å; N142-G145 PolarHBondContact O-N 3.1Å
143	N	84.6	Confident	82.2	Confident	12 Å²	12	55.4 Å²	55.4	6%	0.064	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	50.5	33.4	-179	-170.4	43.6	0	0	0	113.9	C139 V141 G145 C146 H148 C150	C139-N143 WeakPolarHBondContact O-CA 3.22Å; C139-N143 PolarHBondContact O-N 3.4Å; V141-N143 PolarHBondContact O-N 2.92Å; V141-N143 VanDerWaalsContact O-N 3.13Å; N143-G145 PolarHBondContact O-N 2.85Å; N143-C146 PolarHBondContact ND2-O 3.48Å; N143-C146 WeakPolarHBondContact O-CB 3.41Å; N143-C146 PolarHBondContact O-N 2.9Å; N143-C146 PolarHBondContact O-SG 3.49Å; N143-H148 PolarHBondContact ND2-O 2.88Å; N143-C150 VanDerWaalsContact O-CB 3.29Å; N143-C150 WeakPolarHBondContact O-CB 3.24Å; N143-C150 WeakPolarHBondContact OD1-CB 3.1Å
144	G	84	Confident	82.2	Confident	1 Å²	1	62.7 Å²	62.7	1%	0.01	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	65.4	8.1	-176.6	0	0	0	0	0	115.1	R138 V141 N142 C146	R138-G144 PolarHBondContact O-N 2.85Å; V141-G144 PolarHBondContact O-N 2.85Å; N142-G144 PolarHBondContact O-N 3.29Å; G144-C146 VanDerWaalsContact C-N 3.34Å
145	G	85.1	Confident	82.2	Confident	15 Å²	15	67.3 Å²	67.3	16%	0.155	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	83.2	4.6	-169.1	0	0	0	0	0	114.3	N142 N143	N142-G145 PolarHBondContact O-N 3.1Å; N143-G145 PolarHBondContact O-N 2.85Å
146	C	88.8	Confident	82.8	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	35%	0.346	C	S	.	.			trans	-74	143.1	179.4	-55.7	0	0	0	0	111.6	N143 G144 F149 C150 C159 K501	N143-C146 PolarHBondContact ND2-O 3.48Å; N143-C146 WeakPolarHBondContact O-CB 3.41Å; N143-C146 PolarHBondContact O-N 2.9Å; N143-C146 PolarHBondContact O-SG 3.49Å; G144-C146 VanDerWaalsContact C-N 3.34Å; C146-F149 WeakPolarHBondContact CB-O 3.38Å; C146-C150 HydrophobicContact CB-CB 4.11Å; C146-C150 VanDerWaalsContact SG-CB 3.54Å; C146-C159 WeakPolarHBondContact CA-SG 3.09Å; C146-C159 HydrophobicContact CB-CB 3.64Å; C146-C159 WeakPolarHBondContact CB-SG 3.48Å; C146-C159 WeakPolarHBondContact SG-CA 3.4Å; C146-C159 WeakPolarHBondContact SG-CB 3.33Å; C146-C159 CovalentContact SG-SG 2.03Å; C146-C159 PolarHBondContact SG-SG 2.97Å; C146-K501 PolarHBondContact O-NZ 3.4Å
147	A	89.9	Confident	83.9	Confident	23 Å²	23	71.1 Å²	71.1	19%	0.19	34%	0.338	C	S	.	.	S	Bend	trans	-71	-40.1	175.5	0	0	0	0	0	112.1	K172 C174 Y500	A147-K172 WeakPolarHBondContact CB-O 3.49Å; A147-K172 PolarHBondContact N-O 2.79Å; A147-C174 HydrophobicContact CB-CB 4.12Å; A147-Y500 WeakPolarHBondContact O-CD1 3.38Å; A147-Y500 VanDerWaalsContact O-CE1 3.25Å; A147-Y500 WeakPolarHBondContact O-CE1 2.97Å
148	H	91.1	Very high	85	Confident	5 Å²	5	70.9 Å²	70.9	2%	0.023	34%	0.341	C	S	.	.	S	Bend	trans	-115.5	-99.9	175.9	-64.2	158.4	0	0	0	110.9	N143 Y160 A162 Y165 C174 F421 T503 F505	N143-H148 PolarHBondContact ND2-O 2.88Å; H148-Y160 WeakPolarHBondContact CB-O 3.25Å; H148-A162 PolarHBondContact ND1-N 3.37Å; H148-Y165 AromaticContact CE1-CD1 3.69Å; H148-Y165 AromaticContact CE1-CD2 3.88Å; H148-Y165 AromaticContact CE1-CE1 3.81Å; H148-Y165 AromaticContact CE1-CG 3.72Å; H148-Y165 AromaticContact CE1-CZ 3.96Å; H148-C174 VanDerWaalsContact CE1-CB 3.46Å; H148-C174 WeakPolarHBondContact CE1-CB 3.29Å; H148-C174 VanDerWaalsContact CG-SG 3.56Å; H148-C174 VanDerWaalsContact ND1-CB 3.29Å; H148-C174 WeakPolarHBondContact ND1-CB 3.04Å; H148-C174 PolarHBondContact ND1-SG 2.03Å; H148-F421 WeakPolarHBondContact O-CD2 3.18Å; H148-F421 WeakPolarHBondContact O-CE2 3.26Å; H148-T503 PolarHBondContact NE2-OG1 2.94Å; H148-T503 VanDerWaalsContact NE2-OG1 3.15Å; H148-F505 AromaticContact CD2-CZ 3.7Å
149	F	90.8	Very high	85.5	Confident	2 Å²	2	63 Å²	63	1%	0.009	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	149.6	-172.4	-44.3	-59.2	0	0	0	112	C146 C159 Y160 A162 F421 F505 Q543	C146-F149 WeakPolarHBondContact CB-O 3.38Å; F149-C159 CarbonylContact O-C 3.56Å; F149-C159 VanDerWaalsContact O-CA 3.31Å; F149-C159 WeakPolarHBondContact O-CA 3.43Å; F149-Y160 PolarHBondContact N-O 2.04Å; F149-Y160 PolarHBondContact O-N 2.79Å; F149-A162 HydrophobicContact CE2-CB 4.1Å; F149-A162 HydrophobicContact CZ-CB 4.12Å; F149-F421 HydrophobicContact CD1-CB 3.79Å; F149-F421 AromaticContact CD1-CD1 3.53Å; F149-F421 HydrophobicContact CD1-CD1 3.53Å; F149-F421 HydrophobicContact CD1-CD2 4.2Å; F149-F421 HydrophobicContact CD1-CE1 4.12Å; F149-F421 AromaticContact CD1-CG 3.56Å; F149-F421 HydrophobicContact CD1-CG 3.56Å; F149-F421 HydrophobicContact CE1-CB 4.44Å; F149-F421 AromaticContact CE1-CD1 3.47Å; F149-F421 HydrophobicContact CE1-CD1 3.47Å; F149-F421 VanDerWaalsContact CE1-CD1 3.47Å; F149-F421 AromaticContact CE1-CE1 3.86Å; F149-F421 HydrophobicContact CE1-CE1 3.86Å; F149-F421 HydrophobicContact CE1-CG 4.02Å; F149-F505 HydrophobicContact CE1-CE1 4Å; F149-F505 AromaticContact CZ-CE1 3.94Å; F149-F505 HydrophobicContact CZ-CE1 3.94Å; F149-Q543 HydrophobicContact CD2-CB 4.42Å; F149-Q543 HydrophobicContact CD2-CG 3.88Å; F149-Q543 HydrophobicContact CE2-CB 4.45Å; F149-Q543 HydrophobicContact CE2-CG 3.7Å
150	C	89.1	Confident	85.9	Confident	15 Å²	15	64.5 Å²	64.5	10%	0.101	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	131.5	173.7	-173.9	0	0	0	0	110.7	C139 N143 C146 P157 V158	C139-C150 WeakPolarHBondContact CA-SG 3.34Å; C139-C150 HydrophobicContact CB-CB 3.64Å; C139-C150 WeakPolarHBondContact CB-SG 3.29Å; C139-C150 WeakPolarHBondContact SG-CB 3.49Å; C139-C150 CovalentContact SG-SG 2.04Å; C139-C150 PolarHBondContact SG-SG 3.13Å; N143-C150 VanDerWaalsContact O-CB 3.29Å; N143-C150 WeakPolarHBondContact O-CB 3.24Å; N143-C150 WeakPolarHBondContact OD1-CB 3.1Å; C146-C150 HydrophobicContact CB-CB 4.11Å; C146-C150 VanDerWaalsContact SG-CB 3.54Å; C150-P157 VanDerWaalsContact SG-CB 3.6Å; C150-V158 WeakPolarHBondContact CA-O 3.11Å
151	T	88.1	Confident	86.6	Confident	54 Å²	54	59.5 Å²	59.5	33%	0.331	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	155.2	166.8	73	0	0	0	0	109.8	C139 P157 V158 Y160	C139-T151 PolarHBondContact SG-N 2.93Å; C139-T151 VanDerWaalsContact SG-N 3.41Å; C139-T151 PolarHBondContact SG-O 3.22Å; T151-P157 CarbonylContact O-C 3.5Å; T151-P157 WeakPolarHBondContact O-CA 3.33Å; T151-V158 PolarHBondContact N-O 3.12Å; T151-V158 PolarHBondContact O-N 2.81Å; T151-Y160 HydrophobicContact CG2-CD2 4.02Å; T151-Y160 HydrophobicContact CG2-CE2 4.01Å; T151-Y160 VanDerWaalsContact OG1-CE2 3.23Å; T151-Y160 WeakPolarHBondContact OG1-CE2 3.28Å
152	T	86.7	Confident	87.3	Confident	87 Å²	87	56.6 Å²	56.6	53%	0.534	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	108.6	176.9	-59.1	0	0	0	0	109.6	R156	T152-R156 CarbonylContact C-O 3.39Å; T152-R156 WeakPolarHBondContact CA-O 3.27Å
153	E	86.1	Confident	87.9	Confident	85 Å²	85	54.3 Å²	54.3	40%	0.397	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	131.8	175.4	-67	178.3	-153.4	0	0	110.1	R155 R156 V158 Y160	E153-R155 PolarHBondContact O-N 2.88Å; E153-R156 PolarHBondContact N-O 2.97Å; E153-R156 PolarHBondContact O-N 3.18Å; E153-R156 VanDerWaalsContact O-O 3.1Å; E153-V158 HydrophobicContact CB-CG2 3.77Å; E153-V158 HydrophobicContact CG-CB 4.47Å; E153-V158 HydrophobicContact CG-CG2 4.09Å; E153-Y160 PolarHBondContact OE1-OH 3.27Å
154	R	83.9	Confident	88.2	Confident	245 Å²	245	55.2 Å²	55.2	93%	0.925	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	36.8	-179.4	-57.4	-178	177.8	175.9	0.4	113.2	R156	R154-R156 VanDerWaalsContact C-N 3.31Å; R154-R156 PolarHBondContact O-N 3.46Å
155	R	77.8	Confident	88.7	Confident	239 Å²	239	55.6 Å²	55.6	90%	0.902	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	20.9	-176.4	-52.8	-178.1	173.8	-174.6	-1.7	115.5	E153	E153-R155 PolarHBondContact O-N 2.88Å
156	R	82.5	Confident	89.1	Confident	189 Å²	189	59.8 Å²	59.8	71%	0.713	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123	148.3	174	-63.8	-174.7	-179.5	-160.8	-0.9	110.4	T152 E153 R154	T152-R156 CarbonylContact C-O 3.39Å; T152-R156 WeakPolarHBondContact CA-O 3.27Å; E153-R156 PolarHBondContact N-O 2.97Å; E153-R156 PolarHBondContact O-N 3.18Å; E153-R156 VanDerWaalsContact O-O 3.1Å; R154-R156 VanDerWaalsContact C-N 3.31Å; R154-R156 PolarHBondContact O-N 3.46Å
157	P	87.1	Confident	89.4	Confident	44 Å²	44	61.2 Å²	61.2	29%	0.286	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	131.7	172.3	31.3	-33.1	0	0	0	109.2	R137 C150 T151	R137-P157 HydrophobicContact CB-CG 4.37Å; R137-P157 VanDerWaalsContact O-CD 3.24Å; R137-P157 WeakPolarHBondContact O-CD 3.35Å; R137-P157 VanDerWaalsContact O-CG 3.25Å; R137-P157 WeakPolarHBondContact O-CG 3.42Å; C150-P157 VanDerWaalsContact SG-CB 3.6Å; T151-P157 CarbonylContact O-C 3.5Å; T151-P157 WeakPolarHBondContact O-CA 3.33Å
158	V	90.7	Very high	89.6	Confident	36 Å²	36	60.5 Å²	60.5	22%	0.218	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	129.8	171.5	-179.8	0	0	0	0	107.4	C150 T151 E153 Y160	C150-V158 WeakPolarHBondContact CA-O 3.11Å; T151-V158 PolarHBondContact N-O 3.12Å; T151-V158 PolarHBondContact O-N 2.81Å; E153-V158 HydrophobicContact CB-CG2 3.77Å; E153-V158 HydrophobicContact CG-CB 4.47Å; E153-V158 HydrophobicContact CG-CG2 4.09Å; V158-Y160 HydrophobicContact CB-CE2 4.08Å; V158-Y160 HydrophobicContact CG1-CD2 4.32Å; V158-Y160 HydrophobicContact CG1-CE2 3.6Å
159	C	91.3	Very high	89.7	Confident	8 Å²	8	65.7 Å²	65.7	5%	0.054	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	139.6	-176.4	-57.6	0	0	0	0	110.9	C146 F149 V167 G171	C146-C159 WeakPolarHBondContact CA-SG 3.09Å; C146-C159 HydrophobicContact CB-CB 3.64Å; C146-C159 WeakPolarHBondContact CB-SG 3.48Å; C146-C159 WeakPolarHBondContact SG-CA 3.4Å; C146-C159 WeakPolarHBondContact SG-CB 3.33Å; C146-C159 CovalentContact SG-SG 2.03Å; C146-C159 PolarHBondContact SG-SG 2.97Å; F149-C159 CarbonylContact O-C 3.56Å; F149-C159 VanDerWaalsContact O-CA 3.31Å; F149-C159 WeakPolarHBondContact O-CA 3.43Å; C159-V167 WeakPolarHBondContact O-CG2 3.41Å; C159-G171 WeakPolarHBondContact CB-O 3.35Å; C159-G171 PolarHBondContact SG-O 2.8Å; C159-G171 VanDerWaalsContact SG-O 3.34Å
160	Y	92.1	Very high	89.7	Confident	46 Å²	46	69.7 Å²	69.7	18%	0.18	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	152.6	175.5	-67.3	-95.7	0	0	0	109.4	H148 F149 T151 E153 V158 N545	H148-Y160 WeakPolarHBondContact CB-O 3.25Å; F149-Y160 PolarHBondContact N-O 2.04Å; F149-Y160 PolarHBondContact O-N 2.79Å; T151-Y160 HydrophobicContact CG2-CD2 4.02Å; T151-Y160 HydrophobicContact CG2-CE2 4.01Å; T151-Y160 VanDerWaalsContact OG1-CE2 3.23Å; T151-Y160 WeakPolarHBondContact OG1-CE2 3.28Å; E153-Y160 PolarHBondContact OE1-OH 3.27Å; V158-Y160 HydrophobicContact CB-CE2 4.08Å; V158-Y160 HydrophobicContact CG1-CD2 4.32Å; V158-Y160 HydrophobicContact CG1-CE2 3.6Å; Y160-N545 HydrophobicContact CD1-CB 4.05Å; Y160-N545 HydrophobicContact CE1-CB 3.92Å
161	C	93.3	Very high	89.7	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-112.8	152.5	-176.1	-62.8	0	0	0	0	112.9	V167 C174 Q543 S544	C161-V167 VanDerWaalsContact SG-CG2 3.57Å; C161-C174 VanDerWaalsContact CA-SG 3.56Å; C161-C174 HydrophobicContact CB-CB 3.88Å; C161-C174 WeakPolarHBondContact CB-SG 3.48Å; C161-C174 WeakPolarHBondContact SG-CA 3.09Å; C161-C174 WeakPolarHBondContact SG-CB 3.46Å; C161-C174 CovalentContact SG-SG 2.04Å; C161-C174 PolarHBondContact SG-SG 2.86Å; C161-Q543 WeakPolarHBondContact O-CA 3.2Å; C161-S544 PolarHBondContact N-O 2.9Å; C161-S544 PolarHBondContact O-N 3.35Å; C161-S544 VanDerWaalsContact O-N 3.13Å
162	A	93.1	Very high	89.8	Confident	1 Å²	1	71.7 Å²	71.7	1%	0.008	37%	0.365	C	S	.	.			trans	-60.3	159.1	170.8	0	0	0	0	0	111.9	H148 F149 G164 Y165 C415 F505	H148-A162 PolarHBondContact ND1-N 3.37Å; F149-A162 HydrophobicContact CE2-CB 4.1Å; F149-A162 HydrophobicContact CZ-CB 4.12Å; A162-G164 PolarHBondContact O-N 3.35Å; A162-Y165 HydrophobicContact CB-CD2 4.14Å; A162-Y165 WeakPolarHBondContact O-CB 3.1Å; A162-Y165 PolarHBondContact O-N 2.86Å; A162-C415 HydrophobicContact CB-CB 4.19Å; A162-F505 HydrophobicContact CB-CE1 4.11Å; A162-F505 HydrophobicContact CB-CZ 4.4Å
163	A	90.5	Very high	90.1	Very high	34 Å²	34	70 Å²	70	28%	0.281	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	132.9	178.6	0	0	0	0	0	111.4	C182 I541	A163-C182 PolarHBondContact O-SG 3.15Å; A163-I541 HydrophobicContact CB-CG2 3.57Å
164	G	90.9	Very high	90.5	Very high	30 Å²	30	66.9 Å²	66.9	31%	0.309	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.6	13.1	-173.9	0	0	0	0	0	114.4	A162 T177 S181	A162-G164 PolarHBondContact O-N 3.35Å; G164-T177 WeakPolarHBondContact CA-OG1 3.41Å; G164-T177 PolarHBondContact O-N 2.62Å; G164-T177 PolarHBondContact O-OG1 3.48Å; G164-S181 VanDerWaalsContact O-CB 3.24Å; G164-S181 WeakPolarHBondContact O-CB 3.5Å; G164-S181 PolarHBondContact O-OG 2.97Å
165	Y	94.1	Very high	90.9	Very high	10 Å²	10	59.3 Å²	59.3	4%	0.039	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	164.4	171.5	-67.2	-101.2	0	0	0	110.7	H148 A162 C174 E175 P176 C182 I184 T503 S544	H148-Y165 AromaticContact CE1-CD1 3.69Å; H148-Y165 AromaticContact CE1-CD2 3.88Å; H148-Y165 AromaticContact CE1-CE1 3.81Å; H148-Y165 AromaticContact CE1-CG 3.72Å; H148-Y165 AromaticContact CE1-CZ 3.96Å; A162-Y165 HydrophobicContact CB-CD2 4.14Å; A162-Y165 WeakPolarHBondContact O-CB 3.1Å; A162-Y165 PolarHBondContact O-N 2.86Å; Y165-C174 HydrophobicContact CD1-CB 4.12Å; Y165-C174 HydrophobicContact CG-CB 4.46Å; Y165-E175 CarbonylContact C-O 3.56Å; Y165-E175 WeakPolarHBondContact CA-O 3.3Å; Y165-P176 HydrophobicContact CD1-CB 4.22Å; Y165-P176 HydrophobicContact CE1-CB 4.08Å; Y165-C182 WeakPolarHBondContact CE2-O 3.26Å; Y165-C182 PolarHBondContact OH-O 2.76Å; Y165-I184 WeakPolarHBondContact OH-CD1 3.46Å; Y165-I184 WeakPolarHBondContact OH-CG1 3.31Å; Y165-T503 HydrophobicContact CE2-CG2 4.46Å; Y165-S544 WeakPolarHBondContact O-CB 3.33Å; Y165-S544 PolarHBondContact O-OG 3.09Å
166	K	94	Very high	91.6	Very high	103 Å²	103	51.2 Å²	51.2	45%	0.448	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	151.1	171.6	59.2	172.5	-176.3	163.4	0	109.4	G168 C174 E175 T177	K166-G168 PolarHBondContact O-N 2.82Å; K166-C174 WeakPolarHBondContact O-CA 3.1Å; K166-E175 WeakPolarHBondContact CE-OE2 3.44Å; K166-E175 HydrophobicContact CG-CB 4.15Å; K166-E175 PolarHBondContact N-O 2.89Å; K166-E175 IonicContact NZ-OE2 3.18Å; K166-E175 PolarHBondContact NZ-OE2 3.25Å; K166-E175 PolarHBondContact O-N 3.44Å; K166-T177 HydrophobicContact CB-CG2 3.98Å; K166-T177 HydrophobicContact CG-CG2 4.06Å
167	V	94.6	Very high	92.1	Very high	29 Å²	29	46.5 Å²	46.5	18%	0.176	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	132.9	175.1	-179.9	0	0	0	0	109.3	C159 C161 S173 N545	C159-V167 WeakPolarHBondContact O-CG2 3.41Å; C161-V167 VanDerWaalsContact SG-CG2 3.57Å; V167-S173 CarbonylContact C-O 3.45Å; V167-S173 WeakPolarHBondContact CA-O 3.44Å; V167-N545 VanDerWaalsContact CB-OXT 3.31Å; V167-N545 WeakPolarHBondContact CB-OXT 3.29Å; V167-N545 WeakPolarHBondContact CG2-OXT 3.38Å
168	G	93.4	Very high	92.1	Very high	8 Å²	8	45.8 Å²	45.8	8%	0.082	29%	0.291	C	S	.	.			trans	-71.7	171	178.1	0	0	0	0	0	112.4	K166 D170 G171 S173	K166-G168 PolarHBondContact O-N 2.82Å; G168-D170 PolarHBondContact O-N 3.42Å; G168-D170 VanDerWaalsContact O-N 3.12Å; G168-G171 PolarHBondContact O-N 3.21Å; G168-S173 PolarHBondContact N-O 3.35Å
169	A	93.3	Very high	91.9	Very high	114 Å²	114	48.5 Å²	48.5	94%	0.942	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-20.4	-178.3	0	0	0	0	0	114	G171	A169-G171 PolarHBondContact O-N 2.8Å
170	D	90.4	Very high	91.8	Very high	87 Å²	87	51.5 Å²	51.5	47%	0.465	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-5.5	175.2	66.6	-11.7	0	0	0	113.5	G168 K172 S173	G168-D170 PolarHBondContact O-N 3.42Å; G168-D170 VanDerWaalsContact O-N 3.12Å; D170-K172 PolarHBondContact O-N 2.98Å; D170-K172 PolarHBondContact OD1-N 2.86Å; D170-S173 WeakPolarHBondContact OD1-CB 3.36Å; D170-S173 PolarHBondContact OD1-N 3.33Å; D170-S173 WeakPolarHBondContact OD2-CB 3.48Å; D170-S173 PolarHBondContact OD2-N 3.15Å; D170-S173 PolarHBondContact OD2-OG 3.3Å
171	G	90.4	Very high	91.9	Very high	37 Å²	37	49.5 Å²	49.5	38%	0.381	31%	0.314	S	S	.	.	S	Bend	trans	69.4	13.1	-176.5	0	0	0	0	0	113.8	C159 G168 A169	C159-G171 WeakPolarHBondContact CB-O 3.35Å; C159-G171 PolarHBondContact SG-O 2.8Å; C159-G171 VanDerWaalsContact SG-O 3.34Å; G168-G171 PolarHBondContact O-N 3.21Å; A169-G171 PolarHBondContact O-N 2.8Å
172	K	89.9	Confident	91.9	Very high	74 Å²	74	50 Å²	50	32%	0.322	32%	0.317	S	S	.	.	S	Bend	trans	-135.7	-40.6	-171.8	-69.8	-179.4	-178.7	177.7	0	113.6	A147 D170	A147-K172 WeakPolarHBondContact CB-O 3.49Å; A147-K172 PolarHBondContact N-O 2.79Å; D170-K172 PolarHBondContact O-N 2.98Å; D170-K172 PolarHBondContact OD1-N 2.86Å
173	S	92.9	Very high	91.9	Very high	52 Å²	52	49.9 Å²	49.9	36%	0.364	32%	0.317	S	S	.	.			trans	-72.1	153.9	178.9	-67.2	0	0	0	0	111.1	V167 G168 D170	V167-S173 CarbonylContact C-O 3.45Å; V167-S173 WeakPolarHBondContact CA-O 3.44Å; G168-S173 PolarHBondContact N-O 3.35Å; D170-S173 WeakPolarHBondContact OD1-CB 3.36Å; D170-S173 PolarHBondContact OD1-N 3.33Å; D170-S173 WeakPolarHBondContact OD2-CB 3.48Å; D170-S173 PolarHBondContact OD2-N 3.15Å; D170-S173 PolarHBondContact OD2-OG 3.3Å
174	C	93.7	Very high	91.9	Very high	19 Å²	19	50.3 Å²	50.3	13%	0.128	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	111.1	173.9	-72.4	0	0	0	0	109.6	A147 H148 C161 Y165 K166	A147-C174 HydrophobicContact CB-CB 4.12Å; H148-C174 VanDerWaalsContact CE1-CB 3.46Å; H148-C174 WeakPolarHBondContact CE1-CB 3.29Å; H148-C174 VanDerWaalsContact CG-SG 3.56Å; H148-C174 VanDerWaalsContact ND1-CB 3.29Å; H148-C174 WeakPolarHBondContact ND1-CB 3.04Å; H148-C174 PolarHBondContact ND1-SG 2.03Å; C161-C174 VanDerWaalsContact CA-SG 3.56Å; C161-C174 HydrophobicContact CB-CB 3.88Å; C161-C174 WeakPolarHBondContact CB-SG 3.48Å; C161-C174 WeakPolarHBondContact SG-CA 3.09Å; C161-C174 WeakPolarHBondContact SG-CB 3.46Å; C161-C174 CovalentContact SG-SG 2.04Å; C161-C174 PolarHBondContact SG-SG 2.86Å; Y165-C174 HydrophobicContact CD1-CB 4.12Å; Y165-C174 HydrophobicContact CG-CB 4.46Å; K166-C174 WeakPolarHBondContact O-CA 3.1Å
175	E	93.4	Very high	91.6	Very high	85 Å²	85	50.5 Å²	50.5	40%	0.397	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	133.7	-179.7	-64.9	178.1	-179.2	0	0	110.2	Y165 K166 T177	Y165-E175 CarbonylContact C-O 3.56Å; Y165-E175 WeakPolarHBondContact CA-O 3.3Å; K166-E175 WeakPolarHBondContact CE-OE2 3.44Å; K166-E175 HydrophobicContact CG-CB 4.15Å; K166-E175 PolarHBondContact N-O 2.89Å; K166-E175 IonicContact NZ-OE2 3.18Å; K166-E175 PolarHBondContact NZ-OE2 3.25Å; K166-E175 PolarHBondContact O-N 3.44Å; E175-T177 PolarHBondContact O-N 3.19Å
176	P	93	Very high	90.3	Very high	69 Å²	69	53.7 Å²	53.7	45%	0.448	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	133.2	177.4	26.1	-32.9	0	0	0	110.6	Y165 G178 S181 I184	Y165-P176 HydrophobicContact CD1-CB 4.22Å; Y165-P176 HydrophobicContact CE1-CB 4.08Å; P176-G178 VanDerWaalsContact C-N 3.29Å; P176-S181 VanDerWaalsContact CB-OG 3.26Å; P176-S181 WeakPolarHBondContact CB-OG 3.26Å; P176-I184 HydrophobicContact CB-CD1 4.04Å; P176-I184 HydrophobicContact CG-CD1 4.5Å
177	T	91.5	Very high	88.4	Confident	91 Å²	91	55 Å²	55	56%	0.558	34%	0.344	S	S	*	.	S	Bend	trans	-79.5	-14.2	177.1	57.9	0	0	0	0	112.7	G164 K166 E175	G164-T177 WeakPolarHBondContact CA-OG1 3.41Å; G164-T177 PolarHBondContact O-N 2.62Å; G164-T177 PolarHBondContact O-OG1 3.48Å; K166-T177 HydrophobicContact CB-CG2 3.98Å; K166-T177 HydrophobicContact CG-CG2 4.06Å; E175-T177 PolarHBondContact O-N 3.19Å
178	G	87.8	Confident	85.7	Confident	29 Å²	29	58.6 Å²	58.6	30%	0.299	37%	0.37	S	S	.	.	S	Bend	trans	-159.6	175.8	-179.5	0	0	0	0	0	113	P176 F180 S181	P176-G178 VanDerWaalsContact C-N 3.29Å; G178-F180 PolarHBondContact O-N 2.83Å; G178-S181 PolarHBondContact O-OG 3.17Å; G178-S181 VanDerWaalsContact O-OG 3.09Å
179	P	85.9	Confident	83	Confident	93 Å²	93	64.5 Å²	64.5	60%	0.604	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-18.9	-176.9	26.3	-33.8	0	0	0	113.9	R412	P179-R412 VanDerWaalsContact O-CZ 3.28Å; P179-R412 PolarHBondContact O-NH1 3.27Å; P179-R412 PolarHBondContact O-NH2 2.89Å
180	F	89.8	Confident	80.1	Confident	70 Å²	70	61.6 Å²	61.6	31%	0.307	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.8	29.8	-174.3	-49.9	-62.6	0	0	0	113	G178 L407 R412	G178-F180 PolarHBondContact O-N 2.83Å; F180-L407 HydrophobicContact CB-CB 3.94Å; F180-L407 HydrophobicContact CB-CD1 3.63Å; F180-L407 HydrophobicContact CB-CG 4.41Å; F180-L407 HydrophobicContact CD1-CB 4.14Å; F180-L407 HydrophobicContact CD2-CB 3.74Å; F180-L407 HydrophobicContact CD2-CD1 4.35Å; F180-L407 HydrophobicContact CE2-CB 4.26Å; F180-L407 HydrophobicContact CG-CB 3.67Å; F180-L407 HydrophobicContact CG-CD1 4.23Å; F180-R412 HydrophobicContact CD1-CG 4.45Å
181	S	93.4	Very high	77.6	Confident	5 Å²	5	65 Å²	65	4%	0.035	41%	0.408	C	S	.	.			trans	-53.3	148.1	169.3	-56.9	0	0	0	0	110.9	G164 P176 G178	G164-S181 VanDerWaalsContact O-CB 3.24Å; G164-S181 WeakPolarHBondContact O-CB 3.5Å; G164-S181 PolarHBondContact O-OG 2.97Å; P176-S181 VanDerWaalsContact CB-OG 3.26Å; P176-S181 WeakPolarHBondContact CB-OG 3.26Å; G178-S181 PolarHBondContact O-OG 3.17Å; G178-S181 VanDerWaalsContact O-OG 3.09Å
182	C	94.9	Very high	74.8	Confident	9 Å²	9	68.5 Å²	68.5	6%	0.061	43%	0.434	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	151.8	-173.4	66.7	0	0	0	0	112.2	A163 Y165 I184 P413 C415	A163-C182 PolarHBondContact O-SG 3.15Å; Y165-C182 WeakPolarHBondContact CE2-O 3.26Å; Y165-C182 PolarHBondContact OH-O 2.76Å; C182-I184 PolarHBondContact O-N 3.35Å; C182-I184 VanDerWaalsContact O-N 3.09Å; C182-P413 CarbonylContact C-O 3.55Å; C182-P413 WeakPolarHBondContact CA-O 3.32Å; C182-P413 HydrophobicContact CB-CB 4.34Å; C182-P413 HydrophobicContact CB-CG 4.15Å; C182-C415 HydrophobicContact CB-CB 4.03Å; C182-C415 WeakPolarHBondContact CB-SG 3.45Å; C182-C415 PolarHBondContact O-SG 3Å; C182-C415 WeakPolarHBondContact SG-CA 3.35Å; C182-C415 WeakPolarHBondContact SG-CB 3.35Å; C182-C415 CovalentContact SG-SG 2.04Å; C182-C415 PolarHBondContact SG-SG 3.32Å
183	G	93.1	Very high	72	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	45%	0.447	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.6	7.4	170	0	0	0	0	0	115.7	P413 W504	G183-P413 PolarHBondContact N-O 2.77Å; G183-W504 VanDerWaalsContact CA-O 3.26Å; G183-W504 WeakPolarHBondContact CA-O 3.43Å; G183-W504 PolarHBondContact O-N 2.97Å
184	I	89.9	Confident	69.4	Low	43 Å²	43	77 Å²	77	22%	0.221	47%	0.467	C	S	.	.			trans	-90	123.7	173.7	-58.3	-177.2	0	0	0	109.8	Y165 P176 C182 R412	Y165-I184 WeakPolarHBondContact OH-CD1 3.46Å; Y165-I184 WeakPolarHBondContact OH-CG1 3.31Å; P176-I184 HydrophobicContact CB-CD1 4.04Å; P176-I184 HydrophobicContact CG-CD1 4.5Å; C182-I184 PolarHBondContact O-N 3.35Å; C182-I184 VanDerWaalsContact O-N 3.09Å; I184-R412 WeakPolarHBondContact O-CD 3.36Å
185	V	84.6	Confident	66.6	Low	34 Å²	34	80.8 Å²	80.8	21%	0.206	49%	0.493	C	S	.	.			trans	-103	130.8	166.5	-63.9	0	0	0	0	109.3	L187 E307 P309 W310	V185-L187 VanDerWaalsContact C-N 3.32Å; V185-L187 PolarHBondContact O-N 2.86Å; V185-E307 WeakPolarHBondContact CG1-O 3.24Å; V185-P309 HydrophobicContact CG1-CG 4.49Å; V185-W310 HydrophobicContact CG1-CH2 3.4Å; V185-W310 VanDerWaalsContact CG1-CH2 3.4Å; V185-W310 HydrophobicContact CG1-CZ3 3.45Å; V185-W310 VanDerWaalsContact CG1-CZ3 3.45Å
186	S	66.7	Low	63.7	Low	77 Å²	77	86.5 Å²	86.5	54%	0.538	52%	0.517	S	S	.	.			trans	-75.9	82.8	179.7	172.4	0	0	0	0	110.4
187	L	52.8	Low	60.5	Low	130 Å²	130	94.6 Å²	94.6	68%	0.681	54%	0.539	S	S	*	.			trans	-124.6	15.7	170.7	-89.6	156.7	0	0	0	113.7	V185	V185-L187 VanDerWaalsContact C-N 3.32Å; V185-L187 PolarHBondContact O-N 2.86Å
188	S	38.8	Very low	57.3	Low	104 Å²	104	101.3 Å²	101.3	73%	0.727	55%	0.554	S	S	*	*			trans	-103	77.5	167.6	56	0	0	0	0	111.6	G190	S188-G190 PolarHBondContact O-N 3.09Å
189	S	36.1	Very low	54.3	Low	132 Å²	132	106.3 Å²	106.3	92%	0.923	58%	0.579	S	S	*	*			trans	-64.7	80.7	143.2	50.9	0	0	0	0	107.9
190	G	32.5	Very low	51.7	Low	53 Å²	53	110.6 Å²	110.6	55%	0.546	59%	0.591	S	S	.	*	S	Bend	trans	-158.4	72.2	-176.5	0	0	0	0	0	110.9	S188	S188-G190 PolarHBondContact O-N 3.09Å
191	L	38.5	Very low	48.7	Very low	158 Å²	158	112.5 Å²	112.5	83%	0.827	61%	0.613	S	S	*	*			trans	48.3	69.1	156.6	-70.9	155.1	0	0	0	117.5	T193	L191-T193 VanDerWaalsContact C-N 3.34Å; L191-T193 PolarHBondContact O-N 2.55Å
192	A	31.8	Very low	45.5	Very low	111 Å²	111	117.4 Å²	117.4	92%	0.917	65%	0.647	S	S	*	*			trans	-87.9	80.6	149.8	0	0	0	0	0	108.9
193	T	31.9	Very low	42.2	Very low	96 Å²	96	124.2 Å²	124.2	59%	0.589	68%	0.683	S	S	*	*			trans	-80.1	124.1	174.5	-48.1	0	0	0	0	109.4	L191	L191-T193 VanDerWaalsContact C-N 3.34Å; L191-T193 PolarHBondContact O-N 2.55Å
194	R	37.3	Very low	39	Very low	210 Å²	210	129.3 Å²	129.3	79%	0.792	72%	0.719	S	S	*	*			trans	85.9	96.8	156.3	-75.3	166.1	-170.1	-94.8	0.4	120.1
195	S	34.7	Very low	36.1	Very low	98 Å²	98	133.8 Å²	133.8	69%	0.685	75%	0.748	S	S	*	*				47.4	108.2	119.2	54.4	0	0	0	0	119.3
196	F	31.9	Very low	33.2	Very low	205 Å²	205	140.1 Å²	140.1	90%	0.899	78%	0.781	S	S	*	*			trans	-127.5	122.1	146.6	-90.9	-88.8	0	0	0	110.8
197	R	26.9	Very low	31.3	Very low	238 Å²	238	141.8 Å²	141.8	90%	0.898	79%	0.793	S	S	*	*			trans	-71.1	131.4	173.7	-75.5	176.6	172.1	169.9	-3.2	108.9	T199	R197-T199 PolarHBondContact O-N 2.75Å
198	W	24.8	Very low	29.9	Very low	232 Å²	232	141.7 Å²	141.7	88%	0.879	80%	0.798	S	S	*	*			trans	-58.1	125.3	167.6	-83.8	78	0	0	0	110.6
199	T	25.1	Very low	29.3	Very low	134 Å²	134	142 Å²	142	82%	0.822	80%	0.8	S	S	*	*			trans	-116	106.6	153.8	38.3	0	0	0	0	106.8	R197 S201	R197-T199 PolarHBondContact O-N 2.75Å; T199-S201 PolarHBondContact O-N 2.96Å
200	Q	29.8	Very low	28.8	Very low	184 Å²	184	143.8 Å²	143.8	86%	0.86	79%	0.794	S	S	*	*			trans	-62.2	118.2	166.3	-99.4	175.1	-13.8	0	0	108
201	S	26.4	Very low	28.6	Very low	109 Å²	109	150.7 Å²	150.7	76%	0.762	81%	0.812	S	S	*	*			trans	-123.9	93.3	159.5	166.6	0	0	0	0	106.8	T199 N203	T199-S201 PolarHBondContact O-N 2.96Å; S201-N203 PolarHBondContact O-N 3.38Å
202	S	27.6	Very low	28.1	Very low	109 Å²	109	151.8 Å²	151.8	76%	0.762	81%	0.81	S	S	*	*			trans	-57.2	121.1	159.6	49.1	0	0	0	0	109.4
203	N	26	Very low	27.8	Very low	151 Å²	151	153.7 Å²	153.7	81%	0.807	81%	0.805	S	S	*	*			trans	-148.8	110.9	145.2	-112.8	-8.9	0	0	0	110.4	S201	S201-N203 PolarHBondContact O-N 3.38Å
204	S	26	Very low	27.8	Very low	107 Å²	107	159.9 Å²	159.9	75%	0.748	82%	0.819	S	S	*	*			trans	-68.5	130.6	167.3	50.9	0	0	0	0	110.3
205	T	27.2	Very low	27.4	Very low	138 Å²	138	156.1 Å²	156.1	85%	0.847	81%	0.814	S	S	*	*			trans	-138.9	115.6	152.2	45.3	0	0	0	0	108.9
206	N	25	Very low	27.3	Very low	167 Å²	167	160.3 Å²	160.3	89%	0.893	82%	0.817	S	S	*	*			trans	-66.3	136	168.2	-76.4	-22.9	0	0	0	110.1
207	S	25.6	Very low	27.4	Very low	112 Å²	112	158.7 Å²	158.7	78%	0.783	81%	0.81	S	S	*	*			trans	-149.2	119.8	145	62.6	0	0	0	0	110.8
208	T	23.9	Very low	27.7	Very low	128 Å²	128	155.1 Å²	155.1	79%	0.785	80%	0.801	S	S	*	*			trans	-26.8	127.7	169.3	44.6	0	0	0	0	118.6
209	S	27.2	Very low	27.9	Very low	110 Å²	110	151.6 Å²	151.6	77%	0.769	79%	0.794	S	S	*	*			trans	16.1	114.6	135.2	58.7	0	0	0	0	119.1
210	E	25.3	Very low	28.5	Very low	170 Å²	170	150.3 Å²	150.3	79%	0.794	78%	0.781	S	S	*	*			trans	-123.2	125.6	145	-74.7	-168.8	165.7	0	0	109.4	F212	E210-F212 HydrophobicContact CB-CE2 4.3Å
211	E	28.1	Very low	28.9	Very low	198 Å²	198	147 Å²	147	93%	0.925	77%	0.765	S	S	*	*			trans	-78.1	120.8	-177.7	-162.1	171.3	-156.8	0	0	108
212	F	27.6	Very low	29.1	Very low	180 Å²	180	148.1 Å²	148.1	79%	0.789	76%	0.763	S	S	*	*			trans	-117.8	131.4	174.7	-88.3	-82.5	0	0	0	111.8	E210	E210-F212 HydrophobicContact CB-CE2 4.3Å
213	D	26.5	Very low	29.3	Very low	151 Å²	151	153.1 Å²	153.1	81%	0.807	77%	0.767	S	S	*	*			trans	-71.5	140.1	-161.4	-166.3	6.8	0	0	0	114.3
214	Y	31	Very low	30	Very low	226 Å²	226	151.9 Å²	151.9	89%	0.886	76%	0.759	S	S	*	*			trans	-98.2	81	-175.1	-109.8	-84.4	0	0	0	109.3
215	D	28.1	Very low	30.7	Very low	131 Å²	131	150.6 Å²	150.6	70%	0.701	74%	0.744	S	S	*	*			trans	-143.3	9.5	174.1	-143.7	11.8	0	0	0	116.8
216	Y	33.1	Very low	30.8	Very low	186 Å²	186	149 Å²	149	73%	0.729	74%	0.739	S	S	*	*	S	Bend	trans	-93.9	-6	-176.4	-164	-106.5	0	0	0	115.5
217	F	35.3	Very low	31	Very low	172 Å²	172	146.9 Å²	146.9	75%	0.754	73%	0.734	S	S	*	*	S	Bend	trans	-98.1	-2.4	-172.9	-86.2	-79.5	0	0	0	115.9
218	K	32.8	Very low	31.4	Very low	163 Å²	163	150.2 Å²	150.2	71%	0.709	74%	0.739	S	S	*	*	S	Bend	trans	-83.7	-27.6	-178.9	-116.8	-170.2	176.5	-173.6	0	114.6	I220 E221	K218-I220 PolarHBondContact O-N 3.21Å; K218-E221 PolarHBondContact O-N 3.49Å
219	E	29.4	Very low	31.5	Very low	157 Å²	157	151.6 Å²	151.6	73%	0.734	74%	0.742	S	S	*	*	H	α-helix	trans	-76.9	-17.9	-173.1	-97	-176.7	153	0	0	114.9
220	I	35.8	Very low	32	Very low	108 Å²	108	155.3 Å²	155.3	55%	0.554	75%	0.747	S	S	*	*	H	α-helix	trans	-84.5	-20.3	178.4	-61.7	179.2	0	0	0	111.7	K218	K218-I220 PolarHBondContact O-N 3.21Å
221	E	38.7	Very low	32.1	Very low	113 Å²	113	152 Å²	152	53%	0.528	74%	0.743	S	S	.	*	H	α-helix	trans	-76.7	-22.6	-177.7	-137.2	177.1	177.8	0	0	113	K218 N225	K218-E221 PolarHBondContact O-N 3.49Å; E221-N225 PolarHBondContact O-ND2 3.46Å
222	D	31.2	Very low	32.1	Very low	133 Å²	133	151.1 Å²	151.1	71%	0.711	74%	0.739	S	S	*	*	H	α-helix	trans	-88.1	-22.4	-178.7	-79.4	-17	0	0	0	113.8
223	Y	32.1	Very low	32.4	Very low	215 Å²	215	148.1 Å²	148.1	84%	0.843	74%	0.737	S	S	*	*	S	Bend	trans	-80.3	-14.3	178.3	-104.9	-89.5	0	0	0	114.2
224	L	40.8	Very low	32.3	Very low	124 Å²	124	150.9 Å²	150.9	65%	0.649	74%	0.742	S	S	*	*	S	Bend	trans	-111.2	2.5	-179	-69.4	172.9	0	0	0	114.3
225	N	40	Very low	32	Very low	80 Å²	80	147.4 Å²	147.4	43%	0.428	74%	0.739	S	S	.	*			trans	-118.6	50	178.5	-71.6	-40.5	0	0	0	112.2	E221 R473	E221-N225 PolarHBondContact O-ND2 3.46Å; N225-R473 PolarHBondContact OD1-NH2 3.06Å
226	S	28.5	Very low	31.9	Very low	106 Å²	106	146.9 Å²	146.9	74%	0.741	75%	0.745	S	S	*	*			trans	-73.5	126.6	158	-90	0	0	0	0	109.5	M228	S226-M228 PolarHBondContact O-N 2.99Å
227	P	30	Very low	31.5	Very low	122 Å²	122	143.3 Å²	143.3	79%	0.792	75%	0.748	S	S	*	*			trans	-80.2	111.4	176.1	31.4	-28.7	0	0	0	108.8
228	M	33.1	Very low	31.1	Very low	182 Å²	182	140.2 Å²	140.2	90%	0.897	75%	0.754	S	S	*	*			trans	-97.4	114.8	160.6	-71.4	-114.6	90.1	0	0	107.4	S226	S226-M228 PolarHBondContact O-N 2.99Å
229	N	27.1	Very low	30.7	Very low	156 Å²	156	136 Å²	136	83%	0.834	76%	0.757	S	S	*	*			trans	-65.9	136.9	-178.4	-130.5	5.9	0	0	0	110.5	S231	N229-S231 PolarHBondContact O-N 2.53Å
230	E	36.8	Very low	30.6	Very low	189 Å²	189	134.1 Å²	134.1	88%	0.883	76%	0.761	S	S	*	*			trans	-70.4	104	165.1	-69.5	-176.9	159.6	0	0	108.9
231	S	28.1	Very low	30.2	Very low	101 Å²	101	135.1 Å²	135.1	71%	0.706	77%	0.772	S	S	*	*			trans	170.8	130.9	146	35.2	0	0	0	0	112.5	N229	N229-S231 PolarHBondContact O-N 2.53Å
232	E	28.8	Very low	29.5	Very low	179 Å²	179	138 Å²	138	84%	0.836	79%	0.79	S	S	*	*			trans	90.2	142.9	154.8	-59.9	-128.2	150.2	0	0	121.3
233	P	34.1	Very low	29.2	Very low	116 Å²	116	140.8 Å²	140.8	75%	0.753	80%	0.796	S	S	*	*			trans	-95.2	127.8	-161.4	35.2	-25.8	0	0	0	111.8
234	F	24.7	Very low	28.9	Very low	210 Å²	210	137.6 Å²	137.6	92%	0.921	80%	0.798	S	S	*	*			trans	-100.6	108.3	178	-99.6	-87.8	0	0	0	113.5
235	N	23.4	Very low	28	Very low	153 Å²	153	142.5 Å²	142.5	82%	0.818	81%	0.808	S	S	*	*			trans	-40.7	125.4	156.9	-118.7	-20.3	0	0	0	112.3
236	S	26.4	Very low	27.3	Very low	119 Å²	119	143.8 Å²	143.8	83%	0.832	82%	0.823	S	S	*	*			trans	-89.5	113.5	170.9	58.5	0	0	0	0	110.6
237	S	24	Very low	27.2	Very low	111 Å²	111	145.4 Å²	145.4	78%	0.776	83%	0.829	S	S	*	*			trans	-147.4	142.4	161.9	65.4	0	0	0	0	111.5
238	A	27.4	Very low	26.8	Very low	108 Å²	108	142.7 Å²	142.7	89%	0.893	82%	0.823	S	S	*	*			trans	72.7	126	176.6	0	0	0	0	0	116.5
239	G	25.1	Very low	26.5	Very low	75 Å²	75	142.5 Å²	142.5	77%	0.773	82%	0.824	S	S	*	*			cis	130.5	108.7	7.7	0	0	0	0	0	111.2
240	S	25.7	Very low	26.4	Very low	116 Å²	116	142.4 Å²	142.4	81%	0.811	82%	0.824	S	S	*	*			trans	-178.8	95	149.9	46.8	0	0	0	0	109
241	V	27.6	Very low	25.9	Very low	130 Å²	130	139 Å²	139	79%	0.788	82%	0.822	S	S	*	*				66.3	106.3	93.4	-178.5	0	0	0	0	114.6
242	L	25.5	Very low	25.8	Very low	173 Å²	173	139.8 Å²	139.8	91%	0.906	83%	0.827	S	S	*	*				-161.2	138	111.9	-96	170.6	0	0	0	111.5
243	K	23.7	Very low	25.7	Very low	192 Å²	192	136.9 Å²	136.9	84%	0.835	83%	0.826	S	S	*	*			trans	-78.4	153.5	-167	-73.1	165.4	165.4	167.6	0	114.3
244	V	26.3	Very low	25.3	Very low	147 Å²	147	136.1 Å²	136.1	89%	0.891	82%	0.823	S	S	*	*				-148.8	145.7	120.8	179.9	0	0	0	0	110.4
245	R	22.5	Very low	25.5	Very low	227 Å²	227	132.9 Å²	132.9	86%	0.857	82%	0.815	S	S	*	*			trans	-61.4	157	-169.7	-64.8	165	167.5	172.1	-5.3	114.6
246	S	24.7	Very low	25.6	Very low	107 Å²	107	131.1 Å²	131.1	75%	0.748	81%	0.806	S	S	*	*				-173.8	132.3	71.2	-53.8	0	0	0	0	114.6
247	V	26.1	Very low	25.7	Very low	141 Å²	141	134.1 Å²	134.1	86%	0.855	81%	0.807	S	S	*	*			trans	55.1	115.9	135.6	-168.3	0	0	0	0	119.9
248	G	22.6	Very low	25.8	Very low	65 Å²	65	132.5 Å²	132.5	67%	0.67	80%	0.8	S	S	*	*			trans	-96.5	-176.6	169.8	0	0	0	0	0	114.6
249	L	27	Very low	25.8	Very low	177 Å²	177	136.1 Å²	136.1	93%	0.927	80%	0.798	S	S	*	*			trans	-155.7	119.6	155.1	-109.9	138.8	0	0	0	109.2
250	D	23.8	Very low	25.8	Very low	154 Å²	154	137.8 Å²	137.8	82%	0.824	79%	0.793	S	S	*	*			trans	-67.7	153.6	173.3	-60.5	-52.6	0	0	0	111.8
251	S	27.5	Very low	25.9	Very low	119 Å²	119	139.2 Å²	139.2	83%	0.832	79%	0.791	S	S	*	*				-179.4	117.1	113.3	57.1	0	0	0	0	111.5
252	S	25.9	Very low	25.8	Very low	116 Å²	116	139.5 Å²	139.5	81%	0.811	79%	0.788	S	S	*	*			trans	-69.6	148.1	161.8	52.5	0	0	0	0	112.4
253	S	26.1	Very low	25.9	Very low	119 Å²	119	136.6 Å²	136.6	83%	0.832	78%	0.782	S	S	*	*			trans	-162.9	118.7	134.1	59.9	0	0	0	0	112
254	S	25.5	Very low	26.1	Very low	99 Å²	99	138.7 Å²	138.7	69%	0.692	78%	0.784	S	S	*	*			trans	-68.1	152.6	165.2	49.1	0	0	0	0	113.5
255	L	28	Very low	26.1	Very low	143 Å²	143	135.8 Å²	135.8	75%	0.749	78%	0.776	S	S	*	*				155.5	141.6	113.9	-86	162.8	0	0	0	114.7
256	N	27.3	Very low	26.4	Very low	115 Å²	115	133.6 Å²	133.6	62%	0.615	78%	0.775	S	S	*	*			trans	86.4	111	149.3	-62.1	-13.1	0	0	0	118.5
257	Q	27.2	Very low	26.6	Very low	183 Å²	183	136.5 Å²	136.5	86%	0.855	78%	0.781	S	S	*	*				71.3	134.5	84.9	-80.9	179.4	11.4	0	0	111.3
258	A	26.2	Very low	26.7	Very low	76 Å²	76	133.2 Å²	133.2	63%	0.628	78%	0.776	S	S	*	*			cis	-168.3	169.3	6.4	0	0	0	0	0	108.1
259	E	27.8	Very low	26.9	Very low	185 Å²	185	137.2 Å²	137.2	86%	0.864	78%	0.782	S	S	*	*			trans	59.7	145.9	142.1	-77.5	-179.5	-173.2	0	0	120.2
260	T	25.3	Very low	27.1	Very low	109 Å²	109	133.2 Å²	133.2	67%	0.669	77%	0.769	S	S	*	*			cis	-171.3	165	-21	-30.9	0	0	0	0	105.8
261	I	26.8	Very low	27.3	Very low	147 Å²	147	135 Å²	135	75%	0.754	77%	0.77	S	S	*	*			trans	85.8	97.5	152.6	-59.6	154.2	0	0	0	118.2
262	D	26.4	Very low	27.3	Very low	136 Å²	136	134.4 Å²	134.4	73%	0.727	77%	0.765	S	S	*	*				35	124.1	115.1	-166	21.8	0	0	0	120.4
263	S	28	Very low	27.6	Very low	112 Å²	112	134.1 Å²	134.1	78%	0.783	76%	0.761	S	S	*	*			trans	-174.1	111.9	133.1	-76.4	0	0	0	0	112.7
264	R	27.8	Very low	27.6	Very low	235 Å²	235	140.4 Å²	140.4	89%	0.887	77%	0.766	S	S	*	*			trans	33.3	124.6	135.7	-85.2	177.5	170.8	149	-1.9	122.2
265	A	26.3	Very low	27.9	Very low	86 Å²	86	143.8 Å²	143.8	71%	0.711	77%	0.771	S	S	*	*				80.2	118.7	119.6	0	0	0	0	0	121.3
266	E	28.8	Very low	27.8	Very low	181 Å²	181	145 Å²	145	85%	0.846	78%	0.778	S	S	*	*			trans	45.4	121.7	135	-56.2	-167.4	174.7	0	0	120.2
267	L	28.1	Very low	27.8	Very low	168 Å²	168	150 Å²	150	88%	0.88	79%	0.788	S	S	*	*				178.8	139.9	100	-156.6	68.3	0	0	0	109.3
268	G	27.7	Very low	27.8	Very low	72 Å²	72	147.8 Å²	147.8	74%	0.742	78%	0.776	S	S	*	*			trans	-77.2	170.3	-175.6	0	0	0	0	0	115.3
269	D	27.6	Very low	28	Very low	150 Å²	150	156.1 Å²	156.1	80%	0.802	79%	0.792	S	S	*	*			trans	-153.2	140.4	138.4	-157.8	3.8	0	0	0	110.3
270	S	30.6	Very low	28	Very low	93 Å²	93	152.3 Å²	152.3	65%	0.65	78%	0.777	S	S	*	*			trans	-87.7	142.3	176.4	74.7	0	0	0	0	109.8
271	K	29	Very low	28.4	Very low	192 Å²	192	157.7 Å²	157.7	84%	0.835	79%	0.787	S	S	*	*			trans	-172	121.4	137.7	-101	154.5	-170.1	175.5	0	112
272	S	26.7	Very low	28.6	Very low	105 Å²	105	157.2 Å²	157.2	73%	0.734	79%	0.79	S	S	*	*			trans	-46.6	-174.6	169.5	58.6	0	0	0	0	116.9
273	P	32.3	Very low	28.8	Very low	111 Å²	111	158.7 Å²	158.7	72%	0.721	79%	0.793	S	S	*	*				-126.6	155.8	-53.8	33.9	-18.1	0	0	0	110.3
274	R	26.2	Very low	29.4	Very low	251 Å²	251	159 Å²	159	95%	0.947	79%	0.79	S	S	*	*			trans	-117.2	112.6	157.9	-86.2	-171.9	173.2	-176	-1.4	109.3	N276	R274-N276 PolarHBondContact O-N 3.03Å
275	Q	32.3	Very low	29.4	Very low	170 Å²	170	153 Å²	153	79%	0.794	78%	0.781	S	S	*	*			trans	-53.6	124.4	164.9	-77.8	170.2	-42.7	0	0	109.3
276	N	26	Very low	29.6	Very low	167 Å²	167	154.2 Å²	154.2	89%	0.893	78%	0.78	S	S	*	*			trans	-134.9	97.2	143.1	-114.5	6.4	0	0	0	107.6	R274	R274-N276 PolarHBondContact O-N 3.03Å
277	R	27.6	Very low	29.8	Very low	220 Å²	220	151.7 Å²	151.7	83%	0.83	78%	0.776	S	S	*	*			trans	-69.8	151.6	145.9	-76.7	-174.6	-172.4	-164.1	2	106.6
278	F	27.1	Very low	29.9	Very low	137 Å²	137	149.4 Å²	149.4	60%	0.601	77%	0.769	S	S	*	*			cis	165.8	122	-0.6	179.7	-106.3	0	0	0	102.2	D280	F278-D280 VanDerWaalsContact CE1-OD1 3.24Å; F278-D280 WeakPolarHBondContact CE1-OD1 3.49Å; F278-D280 WeakPolarHBondContact CE1-OD2 3.4Å; F278-D280 WeakPolarHBondContact CE2-OD1 3.32Å; F278-D280 VanDerWaalsContact CZ-CG 3.4Å; F278-D280 WeakPolarHBondContact CZ-OD1 2.96Å; F278-D280 WeakPolarHBondContact CZ-OD2 3.38Å
279	W	29.4	Very low	30.1	Very low	252 Å²	252	149.7 Å²	149.7	96%	0.955	77%	0.765	S	S	*	*			trans	-142.5	112.3	152.5	-78	110.3	0	0	0	106.6	Y281	W279-Y281 PolarHBondContact O-N 3.39Å
280	D	28.9	Very low	30.3	Very low	104 Å²	104	150.8 Å²	150.8	56%	0.556	77%	0.765	S	S	*	*			trans	-54	123.1	-174.6	-70.7	-53.1	0	0	0	112.8	F278	F278-D280 VanDerWaalsContact CE1-OD1 3.24Å; F278-D280 WeakPolarHBondContact CE1-OD1 3.49Å; F278-D280 WeakPolarHBondContact CE1-OD2 3.4Å; F278-D280 WeakPolarHBondContact CE2-OD1 3.32Å; F278-D280 VanDerWaalsContact CZ-CG 3.4Å; F278-D280 WeakPolarHBondContact CZ-OD1 2.96Å; F278-D280 WeakPolarHBondContact CZ-OD2 3.38Å
281	Y	32.8	Very low	30.5	Very low	222 Å²	222	154.9 Å²	154.9	87%	0.871	77%	0.771	S	S	*	*			trans	-81.4	123.9	142.3	-90.6	-95.2	0	0	0	106.7	W279 E283	W279-Y281 PolarHBondContact O-N 3.39Å; Y281-E283 VanDerWaalsContact C-N 3.28Å; Y281-E283 PolarHBondContact O-N 3.24Å
282	V	32.2	Very low	30.6	Very low	137 Å²	137	152 Å²	152	83%	0.83	77%	0.765	S	S	*	*			trans	-64.6	93.3	167.9	176.9	0	0	0	0	107.3	V284	V282-V284 PolarHBondContact O-N 3.24Å
283	E	29.3	Very low	30.9	Very low	168 Å²	168	155.6 Å²	155.6	79%	0.785	77%	0.77	S	S	*	*			trans	-69.1	115.1	163.5	-78.4	-175.1	165.7	0	0	107.7	Y281	Y281-E283 VanDerWaalsContact C-N 3.28Å; Y281-E283 PolarHBondContact O-N 3.24Å
284	V	40.8	Very low	31.3	Very low	119 Å²	119	155.9 Å²	155.9	72%	0.721	77%	0.765	S	S	*	*			trans	-49.9	131	160.7	-177.6	0	0	0	0	106.7	V282 T286	V282-V284 PolarHBondContact O-N 3.24Å; V284-T286 PolarHBondContact O-N 3.43Å
285	P	28.9	Very low	31.7	Very low	107 Å²	107	150 Å²	150	70%	0.695	75%	0.749	S	S	*	*			trans	-56.7	114.2	-176	20.8	-30.7	0	0	0	108.5	V287	P285-V287 VanDerWaalsContact C-N 3.28Å; P285-V287 PolarHBondContact O-N 2.88Å
286	T	29.3	Very low	32.1	Very low	113 Å²	113	148.5 Å²	148.5	69%	0.693	74%	0.736	S	S	*	*			trans	-62.3	102.9	163.9	-54.2	0	0	0	0	104.3	V284 V288	V284-T286 PolarHBondContact O-N 3.43Å; T286-V288 PolarHBondContact O-N 3.09Å
287	V	33.4	Very low	33.3	Very low	127 Å²	127	140.7 Å²	140.7	77%	0.77	69%	0.694	S	S	*	*			trans	-62.3	93.2	166.4	179.2	0	0	0	0	104.6	P285 A289	P285-V287 VanDerWaalsContact C-N 3.28Å; P285-V287 PolarHBondContact O-N 2.88Å; V287-A289 PolarHBondContact O-N 3.09Å
288	V	30.6	Very low	34.2	Very low	120 Å²	120	131.8 Å²	131.8	73%	0.727	66%	0.664	S	S	*	*			trans	-64.1	97.9	164.6	179.4	0	0	0	0	103.9	T286 Q290	T286-V288 PolarHBondContact O-N 3.09Å; V288-Q290 PolarHBondContact O-N 3.22Å
289	A	32.1	Very low	35.5	Very low	79 Å²	79	126.8 Å²	126.8	65%	0.653	65%	0.651	S	S	*	*			trans	-50.5	117.6	165.6	0	0	0	0	0	105.8	V287 K291	V287-A289 PolarHBondContact O-N 3.09Å; A289-K291 PolarHBondContact O-N 3.44Å
290	Q	31.6	Very low	37.1	Very low	173 Å²	173	115.1 Å²	115.1	81%	0.808	61%	0.609	S	S	*	*			trans	-52.1	121.7	169.7	-79.8	-174.2	-25.3	0	0	106.5	V288 N292	V288-Q290 PolarHBondContact O-N 3.22Å; Q290-N292 VanDerWaalsContact C-N 3.27Å; Q290-N292 PolarHBondContact O-N 3.34Å
291	K	35.1	Very low	39.7	Very low	179 Å²	179	114.3 Å²	114.3	78%	0.778	61%	0.605	S	S	*	*			trans	-61.8	93.5	177.7	-165.7	-178.3	-175.2	-173.5	0	107.3	A289 E293	A289-K291 PolarHBondContact O-N 3.44Å; K291-E293 PolarHBondContact O-N 2.03Å
292	N	31.1	Very low	42.5	Very low	131 Å²	131	107.7 Å²	107.7	70%	0.701	58%	0.582	S	S	*	*			trans	-71.9	116.8	168.8	-93.7	-21.3	0	0	0	106.7	Q290 D294	Q290-N292 VanDerWaalsContact C-N 3.27Å; Q290-N292 PolarHBondContact O-N 3.34Å; N292-D294 PolarHBondContact O-N 2.84Å
293	E	32	Very low	45.3	Very low	180 Å²	180	101.2 Å²	101.2	84%	0.841	54%	0.543	S	S	*	.	S	Bend	trans	-73.8	27.9	-176.5	-63.8	-170.8	146.4	0	0	114.2	K291	K291-E293 PolarHBondContact O-N 2.03Å
294	D	40.6	Very low	48.3	Very low	117 Å²	117	97.1 Å²	97.1	63%	0.626	53%	0.529	S	S	*	.			trans	-133.9	71.5	178.2	-93.9	-55.4	0	0	0	109.7	N292 R296	N292-D294 PolarHBondContact O-N 2.84Å; D294-R296 IonicContact OD1-CZ 2.84Å; D294-R296 IonicContact OD1-NE 3.34Å; D294-R296 IonicContact OD1-NH2 3.47Å; D294-R296 PolarHBondContact OD1-NH2 2.9Å
295	E	34.6	Very low	50.6	Low	127 Å²	127	95.8 Å²	95.8	59%	0.593	52%	0.523	S	S	*	.			trans	-85.3	114.5	170.7	-71.4	176.2	178.3	0	0	109.2
296	R	41.7	Very low	53.5	Low	139 Å²	139	92.1 Å²	92.1	53%	0.525	50%	0.504	S	S	.	.			trans	-131.8	128.1	176.3	-71.9	-177.1	-152.2	-179.7	11.9	109.3	D294 G300 T440 Q451	D294-R296 IonicContact OD1-CZ 2.84Å; D294-R296 IonicContact OD1-NE 3.34Å; D294-R296 IonicContact OD1-NH2 3.47Å; D294-R296 PolarHBondContact OD1-NH2 2.9Å; R296-G300 CarbonylContact O-C 2.91Å; R296-G300 VanDerWaalsContact O-O 3.08Å; R296-T440 HydrophobicContact CB-CG2 3.81Å; R296-T440 HydrophobicContact CG-CG2 4.44Å; R296-Q451 PolarHBondContact O-OE1 2.77Å; R296-Q451 VanDerWaalsContact O-OE1 3.06Å
297	I	50.1	Low	56.5	Low	4 Å²	4	88.7 Å²	88.7	2%	0.021	48%	0.481	C	S	.	.	S	Bend	trans	71.4	132.1	-139.5	-50.3	-60.1	0	0	0	107.1	G299 G300 T440 Q451 L453	I297-G299 PolarHBondContact O-N 3.49Å; I297-G300 PolarHBondContact O-N 2.89Å; I297-T440 CarbonylContact C-O 3.58Å; I297-T440 VanDerWaalsContact C-O 3.26Å; I297-T440 WeakPolarHBondContact CA-O 3.31Å; I297-T440 HydrophobicContact CD1-CG2 4.15Å; I297-T440 VanDerWaalsContact N-CA 3.32Å; I297-T440 PolarHBondContact N-O 2.91Å; I297-Q451 HydrophobicContact CD1-CB 3.68Å; I297-Q451 HydrophobicContact CD1-CG 3.82Å; I297-Q451 HydrophobicContact CG1-CB 3.16Å; I297-Q451 HydrophobicContact CG1-CG 3.57Å; I297-L453 HydrophobicContact CG2-CB 4.23Å; I297-L453 HydrophobicContact CG2-CD2 4.09Å
298	V	46.2	Very low	59.5	Low	32 Å²	32	83 Å²	83	19%	0.194	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	113.8	178.6	-153.8	0	0	0	0	104.8	G300 T440 L484 S485 A517	V298-G300 VanDerWaalsContact C-N 3.31Å; V298-G300 PolarHBondContact O-N 3.11Å; V298-T440 PolarHBondContact N-O 3.16Å; V298-T440 VanDerWaalsContact N-O 3.08Å; V298-L484 CarbonylContact C-O 3.5Å; V298-L484 WeakPolarHBondContact CG1-O 3.4Å; V298-S485 WeakPolarHBondContact O-CA 3.4Å; V298-A517 HydrophobicContact CB-CB 3.51Å; V298-A517 HydrophobicContact CG1-CB 3.58Å; V298-A517 HydrophobicContact CG2-CB 3.61Å
299	G	54	Low	62.6	Low	32 Å²	32	77.4 Å²	77.4	33%	0.33	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.3	8.9	-174.3	0	0	0	0	0	119	I297 L453 L484 S485	I297-G299 PolarHBondContact O-N 3.49Å; G299-L453 WeakPolarHBondContact O-CD1 3.36Å; G299-L484 WeakPolarHBondContact CA-O 3.29Å; G299-L484 PolarHBondContact N-O 3.48Å; G299-S485 WeakPolarHBondContact CA-OG 3.47Å
300	G	65	Low	65.7	Low	7 Å²	7	73.7 Å²	73.7	7%	0.072	38%	0.381	C	S	.	.			trans	-99.6	178.8	176.2	0	0	0	0	0	114	R296 I297 V298 K452	R296-G300 CarbonylContact O-C 2.91Å; R296-G300 VanDerWaalsContact O-O 3.08Å; I297-G300 PolarHBondContact O-N 2.89Å; V298-G300 VanDerWaalsContact C-N 3.31Å; V298-G300 PolarHBondContact O-N 3.11Å; G300-K452 WeakPolarHBondContact CA-O 3.44Å
301	N	83	Confident	68.8	Low	87 Å²	87	65.8 Å²	65.8	47%	0.465	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	157.9	179.4	71.9	-88.7	0	0	0	113	A303 K452	N301-A303 PolarHBondContact O-N 3.18Å; N301-K452 PolarHBondContact N-O 3.38Å; N301-K452 WeakPolarHBondContact ND2-CE 3.26Å; N301-K452 PolarHBondContact O-N 2.03Å
302	E	90	Very high	71.8	Confident	84 Å²	84	57.3 Å²	57.3	39%	0.393	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	132.2	176.5	-170.9	179.8	145.3	0	0	109.8	H362 K449	E302-H362 IonicContact OE1-NE2 3.88Å; E302-H362 PolarHBondContact OE1-NE2 3.05Å; E302-K449 HydrophobicContact CG-CB 4.28Å; E302-K449 HydrophobicContact CG-CD 4.2Å; E302-K449 WeakPolarHBondContact OE1-CD 3.28Å; E302-K449 IonicContact OE1-NZ 3.56Å; E302-K449 PolarHBondContact OE1-NZ 2.92Å; E302-K449 WeakPolarHBondContact OE2-CD 3.27Å; E302-K449 IonicContact OE2-NZ 2.77Å; E302-K449 PolarHBondContact OE2-NZ 2.89Å; E302-K449 VanDerWaalsContact OE2-NZ 3.1Å
303	A	91.4	Very high	74.9	Confident	1 Å²	1	51 Å²	51	1%	0.008	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-72.5	147.6	171.5	0	0	0	0	0	109.5	N301 I308 H362 L450 K452	N301-A303 PolarHBondContact O-N 3.18Å; A303-I308 HydrophobicContact CB-CD1 4.24Å; A303-H362 PolarHBondContact O-CE1 2.91Å; A303-L450 HydrophobicContact CB-CB 4.3Å; A303-L450 HydrophobicContact CB-CD2 4.12Å; A303-L450 HydrophobicContact CB-CG 3.94Å; A303-L450 PolarHBondContact N-O 3.3Å; A303-K452 HydrophobicContact CB-CB 4.46Å; A303-K452 HydrophobicContact CB-CD 4.29Å; A303-K452 HydrophobicContact CB-CG 4.48Å
304	T	91.8	Very high	78	Confident	82 Å²	82	42.6 Å²	42.6	50%	0.503	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-77.4	146.6	169.9	51.5	0	0	0	0	109.9	G306 E307	T304-G306 PolarHBondContact O-N 3.15Å; T304-E307 PolarHBondContact N-OE2 2.89Å; T304-E307 WeakPolarHBondContact O-CB 3.18Å; T304-E307 PolarHBondContact O-N 2.62Å; T304-E307 WeakPolarHBondContact OG1-CB 3.23Å; T304-E307 PolarHBondContact OG1-OE2 3.17Å
305	P	90.9	Very high	80.6	Confident	90 Å²	90	37 Å²	37	58%	0.584	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	125.7	178.2	-26.8	33.9	0	0	0	111.6	E307	P305-E307 VanDerWaalsContact C-N 3.29Å; P305-E307 PolarHBondContact O-N 3.26Å
306	G	89.2	Confident	83.4	Confident	30 Å²	30	31 Å²	31	31%	0.309	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	78	2.6	-177.9	0	0	0	0	0	115.7	T304 I308	T304-G306 PolarHBondContact O-N 3.15Å; G306-I308 VanDerWaalsContact C-N 3.28Å; G306-I308 PolarHBondContact O-N 3.31Å
307	E	92.4	Very high	85.8	Confident	42 Å²	42	29.1 Å²	29.1	20%	0.196	17%	0.172	C	C	.	.	S	Bend	trans	-64.2	-35.2	177.4	-169.6	176.4	169.6	0	0	113	V185 T304 P305 P309 K452	V185-E307 WeakPolarHBondContact CG1-O 3.24Å; T304-E307 PolarHBondContact N-OE2 2.89Å; T304-E307 WeakPolarHBondContact O-CB 3.18Å; T304-E307 PolarHBondContact O-N 2.62Å; T304-E307 WeakPolarHBondContact OG1-CB 3.23Å; T304-E307 PolarHBondContact OG1-OE2 3.17Å; P305-E307 VanDerWaalsContact C-N 3.29Å; P305-E307 PolarHBondContact O-N 3.26Å; E307-P309 VanDerWaalsContact C-CD 3.43Å; E307-P309 VanDerWaalsContact O-CD 3.27Å; E307-P309 WeakPolarHBondContact O-CD 3.06Å; E307-K452 IonicContact OE1-NZ 2.68Å; E307-K452 PolarHBondContact OE1-NZ 2.87Å; E307-K452 IonicContact OE2-NZ 2.71Å; E307-K452 PolarHBondContact OE2-NZ 2.85Å
308	I	95.4	Very high	87.7	Confident	7 Å²	7	30 Å²	30	4%	0.036	18%	0.177	C	C	.	.	S	Bend	trans	-121.5	72.3	-176.6	-48.6	179.6	0	0	0	108.3	A303 G306 W310 Q311 L433 L450 K452	A303-I308 HydrophobicContact CB-CD1 4.24Å; G306-I308 VanDerWaalsContact C-N 3.28Å; G306-I308 PolarHBondContact O-N 3.31Å; I308-W310 HydrophobicContact CG2-CD2 4.31Å; I308-W310 HydrophobicContact CG2-CG 4.41Å; I308-W310 HydrophobicContact CG2-CZ2 3.99Å; I308-W310 PolarHBondContact O-N 2.68Å; I308-W310 VanDerWaalsContact O-N 3.14Å; I308-Q311 HydrophobicContact CG2-CB 4.17Å; I308-Q311 WeakPolarHBondContact O-CB 3.43Å; I308-Q311 PolarHBondContact O-N 3.08Å; I308-Q311 VanDerWaalsContact O-N 3.07Å; I308-L433 HydrophobicContact CD1-CD2 3.61Å; I308-L433 HydrophobicContact CG1-CD2 4.16Å; I308-L450 HydrophobicContact CB-CD2 4.42Å; I308-K452 HydrophobicContact CD1-CB 3.79Å; I308-K452 HydrophobicContact CD1-CD 4.41Å
309	P	95.8	Very high	89.7	Confident	2 Å²	2	32.8 Å²	32.8	1%	0.013	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-9	-166.6	31.5	-39	0	0	0	114.3	V185 E307 N409 E410 R411 R412	V185-P309 HydrophobicContact CG1-CG 4.49Å; E307-P309 VanDerWaalsContact C-CD 3.43Å; E307-P309 VanDerWaalsContact O-CD 3.27Å; E307-P309 WeakPolarHBondContact O-CD 3.06Å; P309-N409 VanDerWaalsContact CB-O 3.32Å; P309-N409 WeakPolarHBondContact CB-O 3.21Å; P309-E410 WeakPolarHBondContact CA-O 3.45Å; P309-E410 VanDerWaalsContact CB-C 3.49Å; P309-R411 WeakPolarHBondContact O-CA 3.38Å; P309-R412 CarbonylContact C-O 3.59Å; P309-R412 HydrophobicContact CB-CB 3.92Å; P309-R412 HydrophobicContact CB-CG 4.03Å; P309-R412 HydrophobicContact CG-CB 3.85Å; P309-R412 HydrophobicContact CG-CG 4.14Å; P309-R412 PolarHBondContact O-N 3.49Å
310	W	97.4	Very high	91.2	Very high	2 Å²	2	41 Å²	41	1%	0.008	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-5.5	173.7	52.1	76.7	0	0	0	113.2	V185 I308 V312 S331 L332 R412 I414 A497 W504	V185-W310 HydrophobicContact CG1-CH2 3.4Å; V185-W310 VanDerWaalsContact CG1-CH2 3.4Å; V185-W310 HydrophobicContact CG1-CZ3 3.45Å; V185-W310 VanDerWaalsContact CG1-CZ3 3.45Å; I308-W310 HydrophobicContact CG2-CD2 4.31Å; I308-W310 HydrophobicContact CG2-CG 4.41Å; I308-W310 HydrophobicContact CG2-CZ2 3.99Å; I308-W310 PolarHBondContact O-N 2.68Å; I308-W310 VanDerWaalsContact O-N 3.14Å; W310-V312 PolarHBondContact O-N 3.18Å; W310-S331 CarbonylContact O-C 3.51Å; W310-S331 WeakPolarHBondContact O-CA 3.39Å; W310-L332 PolarHBondContact O-N 3.3Å; W310-R412 WeakPolarHBondContact CA-O 3.19Å; W310-R412 VanDerWaalsContact CB-O 3.24Å; W310-R412 WeakPolarHBondContact CB-O 3.2Å; W310-R412 PolarHBondContact N-O 3.37Å; W310-I414 HydrophobicContact CB-CB 3.76Å; W310-I414 HydrophobicContact CB-CG2 4.21Å; W310-I414 HydrophobicContact CD2-CB 3.91Å; W310-I414 HydrophobicContact CD2-CD1 4Å; W310-I414 HydrophobicContact CD2-CG1 4.18Å; W310-I414 HydrophobicContact CE3-CB 4.25Å; W310-I414 HydrophobicContact CE3-CG1 4.48Å; W310-I414 HydrophobicContact CG-CB 3.68Å; W310-I414 HydrophobicContact CG-CD1 4.13Å; W310-I414 HydrophobicContact CG-CG1 4.33Å; W310-I414 HydrophobicContact CG-CG2 4.35Å; W310-I414 HydrophobicContact CZ2-CD1 4.36Å; W310-A497 HydrophobicContact CZ2-CB 4.28Å; W310-W504 HydrophobicContact CH2-CB 3.45Å; W310-W504 VanDerWaalsContact CH2-CB 3.45Å; W310-W504 AromaticContact CH2-CD1 3.6Å; W310-W504 AromaticContact CH2-CD2 3.77Å; W310-W504 HydrophobicContact CH2-CD2 3.77Å; W310-W504 HydrophobicContact CH2-CE3 4.43Å; W310-W504 AromaticContact CH2-CG 3.32Å; W310-W504 HydrophobicContact CH2-CG 3.32Å; W310-W504 HydrophobicContact CZ2-CB 4.03Å; W310-W504 HydrophobicContact CZ2-CD2 4.08Å; W310-W504 HydrophobicContact CZ2-CE3 4.29Å; W310-W504 HydrophobicContact CZ2-CG 4.01Å; W310-W504 HydrophobicContact CZ3-CB 3.87Å; W310-W504 HydrophobicContact CZ3-CG 4.07Å
311	Q	97.5	Very high	92.2	Very high	6 Å²	6	46.1 Å²	46.1	3%	0.028	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	133.8	177.7	-173.5	72.3	28.9	0	0	110.3	I308 S435 W437 L450	I308-Q311 HydrophobicContact CG2-CB 4.17Å; I308-Q311 WeakPolarHBondContact O-CB 3.43Å; I308-Q311 PolarHBondContact O-N 3.08Å; I308-Q311 VanDerWaalsContact O-N 3.07Å; Q311-S435 PolarHBondContact NE2-O 3.27Å; Q311-S435 PolarHBondContact OE1-O 3.17Å; Q311-S435 PolarHBondContact OE1-OG 2.87Å; Q311-W437 HydrophobicContact CG-CH2 3.5Å; Q311-W437 VanDerWaalsContact CG-CH2 3.5Å; Q311-W437 HydrophobicContact CG-CZ2 4.46Å; Q311-W437 HydrophobicContact CG-CZ3 3.58Å; Q311-L450 HydrophobicContact CB-CD2 4.2Å; Q311-L450 HydrophobicContact CG-CD1 3.75Å; Q311-L450 HydrophobicContact CG-CD2 4.1Å
312	V	97.6	Very high	92.5	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.006	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	140.5	177.1	-177.7	0	0	0	0	109.9	W310 L314 G329 G330 L332 V338 V357 R358 V359	W310-V312 PolarHBondContact O-N 3.18Å; V312-L314 HydrophobicContact CG1-CD1 4.49Å; V312-G329 CarbonylContact O-C 3.26Å; V312-G329 VanDerWaalsContact O-CA 3.29Å; V312-G329 WeakPolarHBondContact O-CA 3.34Å; V312-G330 PolarHBondContact N-O 2.88Å; V312-G330 PolarHBondContact O-N 3.23Å; V312-L332 HydrophobicContact CG2-CB 4.01Å; V312-V338 HydrophobicContact CB-CG1 4.25Å; V312-V338 HydrophobicContact CG1-CG1 3.98Å; V312-V338 HydrophobicContact CG1-CG2 4.35Å; V312-V338 HydrophobicContact CG2-CG1 4.22Å; V312-V338 HydrophobicContact CG2-CG2 4.19Å; V312-V357 HydrophobicContact CG1-CG1 3.53Å; V312-R358 WeakPolarHBondContact CG1-O 3.37Å; V312-V359 HydrophobicContact CG1-CG1 4.37Å; V312-V359 HydrophobicContact CG2-CG1 4.06Å
313	G	96.4	Very high	92.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	126.7	168.2	0	0	0	0	0	111.1	M315 R358	G313-M315 PolarHBondContact O-N 3.4Å; G313-R358 PolarHBondContact N-O 3.05Å; G313-R358 PolarHBondContact O-N 3.04Å
314	L	96.6	Very high	92.5	Very high	2 Å²	2	49 Å²	49	1%	0.01	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	103.2	164.6	-82.8	63.8	0	0	0	107.2	V312 P326 I327 C328 G329 T340 C344 L345 L399	V312-L314 HydrophobicContact CG1-CD1 4.49Å; L314-P326 CarbonylContact O-C 3.57Å; L314-P326 WeakPolarHBondContact O-CA 3.12Å; L314-I327 HydrophobicContact CB-CG1 4.44Å; L314-I327 VanDerWaalsContact O-CG1 3.25Å; L314-I327 WeakPolarHBondContact O-CG1 3.23Å; L314-I327 PolarHBondContact O-N 2.58Å; L314-C328 HydrophobicContact CB-CB 4.2Å; L314-C328 HydrophobicContact CD2-CB 4.21Å; L314-C328 PolarHBondContact N-O 2.86Å; L314-G329 WeakPolarHBondContact CD1-O 3.31Å; L314-T340 HydrophobicContact CD2-CG2 4.09Å; L314-C344 HydrophobicContact CD2-CB 4.33Å; L314-L345 HydrophobicContact CD2-CD2 4.04Å; L314-L399 HydrophobicContact CD2-CD1 4.32Å; L314-L399 HydrophobicContact CG-CD1 4.43Å
315	M	95	Very high	92.4	Very high	1 Å²	1	46 Å²	46	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	137.5	-171.7	-56.9	-57.3	-81.5	0	0	110.7	G313 T324 L325 P326 I355 F356 R358	G313-M315 PolarHBondContact O-N 3.4Å; M315-T324 HydrophobicContact CB-CG2 4.05Å; M315-T324 HydrophobicContact CE-CG2 4.29Å; M315-L325 WeakPolarHBondContact CA-O 3.38Å; M315-P326 HydrophobicContact SD-CB 3.77Å; M315-P326 HydrophobicContact SD-CG 4.41Å; M315-I355 WeakPolarHBondContact O-CA 3.29Å; M315-F356 HydrophobicContact CB-CD1 4.09Å; M315-F356 HydrophobicContact CB-CD2 3.94Å; M315-F356 HydrophobicContact CB-CE1 3.63Å; M315-F356 HydrophobicContact CB-CE2 3.45Å; M315-F356 VanDerWaalsContact CB-CE2 3.45Å; M315-F356 HydrophobicContact CB-CG 4.25Å; M315-F356 HydrophobicContact CB-CZ 3.29Å; M315-F356 HydrophobicContact CG-CD2 4.31Å; M315-F356 HydrophobicContact CG-CE2 3.7Å; M315-F356 HydrophobicContact CG-CZ 3.94Å; M315-F356 PolarHBondContact N-O 3.08Å; M315-F356 PolarHBondContact O-N 3.35Å; M315-F356 VanDerWaalsContact O-N 3.07Å; M315-R358 HydrophobicContact CG-CB 3.5Å; M315-R358 VanDerWaalsContact CG-CB 3.5Å; M315-R358 HydrophobicContact SD-CB 4.28Å
316	A	94.2	Very high	92.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	147.9	170.1	0	0	0	0	0	110.7	T324 L325 I327 Y353	A316-T324 WeakPolarHBondContact O-CA 3.47Å; A316-L325 PolarHBondContact N-O 3.32Å; A316-L325 PolarHBondContact O-N 3.48Å; A316-I327 HydrophobicContact CB-CD1 4.03Å; A316-I327 HydrophobicContact CB-CG1 4.24Å; A316-I327 HydrophobicContact CB-CG2 3.83Å; A316-Y353 HydrophobicContact CB-CD2 4.34Å; A316-Y353 HydrophobicContact CB-CG 4.37Å
317	F	92.9	Very high	92.5	Very high	99 Å²	99	42.6 Å²	42.6	43%	0.434	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	124	170.2	-179.6	-104.5	0	0	0	109.7	P319 N322	F317-P319 HydrophobicContact CD1-CG 4.31Å; F317-P319 HydrophobicContact CE1-CB 4.42Å; F317-P319 HydrophobicContact CE1-CG 4.31Å; F317-P319 WeakPolarHBondContact O-CD 3.47Å; F317-N322 WeakPolarHBondContact CZ-OD1 3.15Å
318	L	88.8	Confident	92.6	Very high	24 Å²	24	41 Å²	41	13%	0.126	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	105.9	178.5	-63.8	-178.4	0	0	0	109.9	K320 L321 N322 K323 L325 I327 Y353	L318-K320 PolarHBondContact O-N 2.79Å; L318-K320 VanDerWaalsContact O-N 3.14Å; L318-L321 HydrophobicContact CD1-CD1 4.11Å; L318-L321 PolarHBondContact O-N 2.86Å; L318-N322 PolarHBondContact O-N 3.2Å; L318-K323 PolarHBondContact N-O 2.7Å; L318-L325 HydrophobicContact CD1-CB 4.11Å; L318-L325 HydrophobicContact CD1-CD1 4.07Å; L318-I327 HydrophobicContact CD2-CG2 4.18Å; L318-Y353 HydrophobicContact CD2-CD2 4.32Å; L318-Y353 HydrophobicContact CD2-CE1 4.36Å; L318-Y353 HydrophobicContact CD2-CE2 3.58Å
319	P	87.9	Confident	92.6	Very high	90 Å²	90	40.8 Å²	40.8	58%	0.584	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-32.4	-174.6	-25.3	34.5	0	0	0	113.6	F317 L321 N322	F317-P319 HydrophobicContact CD1-CG 4.31Å; F317-P319 HydrophobicContact CE1-CB 4.42Å; F317-P319 HydrophobicContact CE1-CG 4.31Å; F317-P319 WeakPolarHBondContact O-CD 3.47Å; P319-L321 VanDerWaalsContact C-N 3.28Å; P319-L321 PolarHBondContact O-N 3.28Å; P319-N322 PolarHBondContact O-N 2.92Å
320	K	86.8	Confident	92.7	Very high	205 Å²	205	40.7 Å²	40.7	89%	0.891	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-28.7	179.8	-66.7	-174	179.1	-179.7	0	113.6	L318	L318-K320 PolarHBondContact O-N 2.79Å; L318-K320 VanDerWaalsContact O-N 3.14Å
321	L	85.2	Confident	92.7	Very high	113 Å²	113	40.6 Å²	40.6	59%	0.592	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.3	-8.1	-178.6	-62	171	0	0	0	112.1	L318 P319 K323 L325	L318-L321 HydrophobicContact CD1-CD1 4.11Å; L318-L321 PolarHBondContact O-N 2.86Å; P319-L321 VanDerWaalsContact C-N 3.28Å; P319-L321 PolarHBondContact O-N 3.28Å; L321-K323 HydrophobicContact CB-CB 4.28Å; L321-K323 PolarHBondContact O-N 2.98Å; L321-L325 HydrophobicContact CD1-CD1 3.79Å
322	N	88.8	Confident	92.7	Very high	130 Å²	130	40.3 Å²	40.3	70%	0.695	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.6	40	-171.6	-166.9	44.3	0	0	0	112	F317 L318 P319	F317-N322 WeakPolarHBondContact CZ-OD1 3.15Å; L318-N322 PolarHBondContact O-N 3.2Å; P319-N322 PolarHBondContact O-N 2.92Å
323	K	90.1	Very high	92.7	Very high	55 Å²	55	40.7 Å²	40.7	24%	0.239	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	145.7	-174.4	-166.8	178.7	176.1	-166.2	0	110.3	L318 L321 L325 V364 N365	L318-K323 PolarHBondContact N-O 2.7Å; L321-K323 HydrophobicContact CB-CB 4.28Å; L321-K323 PolarHBondContact O-N 2.98Å; K323-L325 HydrophobicContact CB-CG 4.45Å; K323-L325 HydrophobicContact CD-CD1 4.34Å; K323-L325 HydrophobicContact CD-CD2 3.8Å; K323-L325 HydrophobicContact CD-CG 4.04Å; K323-L325 HydrophobicContact CG-CD2 4.28Å; K323-L325 HydrophobicContact CG-CG 4.1Å; K323-V364 WeakPolarHBondContact CE-O 3.06Å; K323-V364 PolarHBondContact NZ-O 2.9Å; K323-N365 PolarHBondContact NZ-OD1 3.04Å
324	T	91.1	Very high	92.7	Very high	48 Å²	48	42 Å²	42	29%	0.294	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	123.4	169	-54.5	0	0	0	0	109	M315 A316 F356	M315-T324 HydrophobicContact CB-CG2 4.05Å; M315-T324 HydrophobicContact CE-CG2 4.29Å; A316-T324 WeakPolarHBondContact O-CA 3.47Å; T324-F356 HydrophobicContact CG2-CE1 3.81Å; T324-F356 HydrophobicContact CG2-CZ 3.71Å
325	L	90.3	Very high	92.7	Very high	18 Å²	18	46.3 Å²	46.3	9%	0.094	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	154.3	-175.1	-74.4	174.7	0	0	0	110.8	M315 A316 L318 L321 K323 I327 V364	M315-L325 WeakPolarHBondContact CA-O 3.38Å; A316-L325 PolarHBondContact N-O 3.32Å; A316-L325 PolarHBondContact O-N 3.48Å; L318-L325 HydrophobicContact CD1-CB 4.11Å; L318-L325 HydrophobicContact CD1-CD1 4.07Å; L321-L325 HydrophobicContact CD1-CD1 3.79Å; K323-L325 HydrophobicContact CB-CG 4.45Å; K323-L325 HydrophobicContact CD-CD1 4.34Å; K323-L325 HydrophobicContact CD-CD2 3.8Å; K323-L325 HydrophobicContact CD-CG 4.04Å; K323-L325 HydrophobicContact CG-CD2 4.28Å; K323-L325 HydrophobicContact CG-CG 4.1Å; L325-I327 PolarHBondContact O-N 2.74Å; L325-V364 HydrophobicContact CD2-CB 4.32Å; L325-V364 HydrophobicContact CD2-CG2 3.84Å
326	P	91.8	Very high	92.8	Very high	9 Å²	9	50.1 Å²	50.1	6%	0.058	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	117.7	170.6	28.6	-32.2	0	0	0	109.1	L314 M315 V364 W437	L314-P326 CarbonylContact O-C 3.57Å; L314-P326 WeakPolarHBondContact O-CA 3.12Å; M315-P326 HydrophobicContact SD-CB 3.77Å; M315-P326 HydrophobicContact SD-CG 4.41Å; P326-V364 HydrophobicContact CG-CG1 4.05Å; P326-W437 HydrophobicContact CB-CE3 4.3Å; P326-W437 HydrophobicContact CG-CB 3.89Å; P326-W437 HydrophobicContact CG-CD2 4.24Å; P326-W437 HydrophobicContact CG-CE3 4.33Å; P326-W437 HydrophobicContact CG-CG 4.07Å
327	I	91.3	Very high	93	Very high	40 Å²	40	51.3 Å²	51.3	21%	0.205	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-21.2	174.9	57.1	163.2	0	0	0	112.4	L314 A316 L318 L325 A348 Y353 I355	L314-I327 HydrophobicContact CB-CG1 4.44Å; L314-I327 VanDerWaalsContact O-CG1 3.25Å; L314-I327 WeakPolarHBondContact O-CG1 3.23Å; L314-I327 PolarHBondContact O-N 2.58Å; A316-I327 HydrophobicContact CB-CD1 4.03Å; A316-I327 HydrophobicContact CB-CG1 4.24Å; A316-I327 HydrophobicContact CB-CG2 3.83Å; L318-I327 HydrophobicContact CD2-CG2 4.18Å; L325-I327 PolarHBondContact O-N 2.74Å; I327-A348 HydrophobicContact CD1-CB 3.88Å; I327-Y353 HydrophobicContact CD1-CD2 4.45Å; I327-I355 HydrophobicContact CD1-CG2 3.83Å
328	C	93.6	Very high	93.3	Very high	10 Å²	10	46.6 Å²	46.6	7%	0.068	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	161.3	175.6	-83.9	0	0	0	0	109.7	L314 C344 S492	L314-C328 HydrophobicContact CB-CB 4.2Å; L314-C328 HydrophobicContact CD2-CB 4.21Å; L314-C328 PolarHBondContact N-O 2.86Å; C328-C344 HydrophobicContact CB-CB 3.65Å; C328-C344 WeakPolarHBondContact CB-SG 3.02Å; C328-C344 WeakPolarHBondContact SG-CB 3.24Å; C328-C344 CovalentContact SG-SG 2.03Å; C328-C344 PolarHBondContact SG-SG 3.17Å; C328-S492 CarbonylContact C-O 3.2Å; C328-S492 WeakPolarHBondContact CA-O 3.4Å; C328-S492 WeakPolarHBondContact CB-O 3.03Å
329	G	95.2	Very high	93.7	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	176.1	167.9	0	0	0	0	0	113.4	V312 L314 T340 S492 G493	V312-G329 CarbonylContact O-C 3.26Å; V312-G329 VanDerWaalsContact O-CA 3.29Å; V312-G329 WeakPolarHBondContact O-CA 3.34Å; L314-G329 WeakPolarHBondContact CD1-O 3.31Å; G329-T340 PolarHBondContact O-OG1 2.89Å; G329-S492 PolarHBondContact N-O 2.92Å; G329-G493 CarbonylContact C-O 3.48Å; G329-G493 CarbonylContact O-C 3.46Å; G329-G493 WeakPolarHBondContact O-CA 3.5Å
330	G	97.3	Very high	94.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	174.3	174	0	0	0	0	0	110.5	V312 I339 G493	V312-G330 PolarHBondContact N-O 2.88Å; V312-G330 PolarHBondContact O-N 3.23Å; G330-I339 CarbonylContact C-O 3.58Å; G330-I339 VanDerWaalsContact CA-O 3.23Å; G330-I339 WeakPolarHBondContact CA-O 3.35Å; G330-G493 VanDerWaalsContact CA-O 3.22Å; G330-G493 WeakPolarHBondContact CA-O 3.45Å; G330-G493 PolarHBondContact N-O 3.1Å
331	S	98.4	Very high	94.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	136.4	172.3	-43.5	0	0	0	0	111.1	W310 V338 I339 P495	W310-S331 CarbonylContact O-C 3.51Å; W310-S331 WeakPolarHBondContact O-CA 3.39Å; S331-V338 CarbonylContact O-C 3.56Å; S331-V338 WeakPolarHBondContact O-CA 3.43Å; S331-I339 PolarHBondContact N-O 3.45Å; S331-I339 WeakPolarHBondContact O-CG2 3.35Å; S331-I339 PolarHBondContact O-N 2.87Å; S331-P495 WeakPolarHBondContact OG-CB 3.15Å
332	L	98.2	Very high	95.3	Very high	1 Å²	1	26 Å²	26	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	122.4	175.5	-170	66.2	0	0	0	109.9	W310 V312 S334 V338 V359 V405 L407 P413 I414	W310-L332 PolarHBondContact O-N 3.3Å; V312-L332 HydrophobicContact CG2-CB 4.01Å; L332-S334 WeakPolarHBondContact CD1-O 3.39Å; L332-S334 WeakPolarHBondContact CG-O 3.5Å; L332-V338 HydrophobicContact CD1-CG2 3.9Å; L332-V359 HydrophobicContact CD1-CG1 4.44Å; L332-V405 HydrophobicContact CD1-CG2 4.13Å; L332-V405 HydrophobicContact CD2-CG1 4.23Å; L332-L407 HydrophobicContact CD2-CD2 4.35Å; L332-P413 CarbonylContact O-C 3.52Å; L332-P413 WeakPolarHBondContact O-CA 3.38Å; L332-I414 PolarHBondContact O-N 3.37Å
333	L	97.4	Very high	95.5	Very high	9 Å²	9	20.4 Å²	20.4	5%	0.047	10%	0.103	C	C	.	.			trans	-99.9	-29.8	177.9	-64.3	-171.8	0	0	0	113	W337 I339 L398 P413 I414 V416 L506 I535 I541	L333-W337 HydrophobicContact CB-CB 4.17Å; L333-W337 PolarHBondContact N-O 3.41Å; L333-I339 HydrophobicContact CD1-CB 3.82Å; L333-I339 HydrophobicContact CD1-CD1 4.32Å; L333-I339 HydrophobicContact CD1-CG2 4.05Å; L333-I339 HydrophobicContact CD2-CB 4.43Å; L333-I339 HydrophobicContact CD2-CG2 3.73Å; L333-I339 HydrophobicContact CG-CB 4.03Å; L333-I339 HydrophobicContact CG-CG2 3.78Å; L333-L398 HydrophobicContact CD1-CD2 3.72Å; L333-P413 VanDerWaalsContact C-CB 3.49Å; L333-P413 VanDerWaalsContact O-CB 3.3Å; L333-P413 WeakPolarHBondContact O-CB 3.32Å; L333-I414 HydrophobicContact CD2-CG2 4.11Å; L333-V416 HydrophobicContact CD2-CG1 3.65Å; L333-L506 HydrophobicContact CD2-CD2 4.25Å; L333-I535 HydrophobicContact CD1-CG2 4Å; L333-I541 HydrophobicContact CB-CD1 3.77Å
334	S	95.8	Very high	95.7	Very high	28 Å²	28	18 Å²	18	20%	0.196	9%	0.092	C	C	.	.	S	Bend	trans	-161.3	-176.2	175	67.3	0	0	0	0	109.3	L332 F336 W337	L332-S334 WeakPolarHBondContact CD1-O 3.39Å; L332-S334 WeakPolarHBondContact CG-O 3.5Å; S334-F336 PolarHBondContact O-N 3.01Å; S334-F336 VanDerWaalsContact O-N 3.08Å; S334-F336 PolarHBondContact OG-N 3.12Å; S334-W337 PolarHBondContact N-O 2.78Å; S334-W337 PolarHBondContact O-N 2.83Å; S334-W337 WeakPolarHBondContact OG-CB 3.25Å; S334-W337 VanDerWaalsContact OG-CD1 3.31Å; S334-W337 PolarHBondContact OG-N 3.11Å
335	E	96.1	Very high	96	Very high	92 Å²	92	15.7 Å²	15.7	43%	0.43	8%	0.078	S	C	.	.	S	Bend	trans	-57.3	-23.3	175.2	-62.6	172.7	117.1	0	0	113.5	P404 V405 L407	E335-P404 HydrophobicContact CB-CB 4.21Å; E335-P404 CarbonylContact O-C 3.4Å; E335-P404 WeakPolarHBondContact O-CA 3.47Å; E335-V405 PolarHBondContact O-N 3.49Å; E335-L407 HydrophobicContact CG-CD1 3.83Å; E335-L407 HydrophobicContact CG-CD2 4.03Å; E335-L407 HydrophobicContact CG-CG 3.83Å
336	F	97.3	Very high	96.2	Very high	81 Å²	81	16.2 Å²	16.2	36%	0.355	8%	0.082	S	C	.	.	S	Bend	trans	-117.6	-9.3	-176.2	-72.3	-78.5	0	0	0	114.8	S334 K400 L401 P404	S334-F336 PolarHBondContact O-N 3.01Å; S334-F336 VanDerWaalsContact O-N 3.08Å; S334-F336 PolarHBondContact OG-N 3.12Å; F336-K400 CarbonylContact O-C 3.59Å; F336-K400 WeakPolarHBondContact O-CA 3.28Å; F336-L401 PolarHBondContact O-N 3.1Å; F336-P404 HydrophobicContact CD1-CB 4.41Å; F336-P404 HydrophobicContact CE1-CB 3.79Å; F336-P404 HydrophobicContact CE1-CG 4.16Å; F336-P404 HydrophobicContact CE2-CB 3.89Å; F336-P404 HydrophobicContact CZ-CB 3.5Å; F336-P404 HydrophobicContact CZ-CG 3.88Å
337	W	98.4	Very high	96.2	Very high	25 Å²	25	18.7 Å²	18.7	10%	0.095	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	129.1	-168.1	-69.8	103.8	0	0	0	111.8	L333 S334 L398 K400 K538 T539	L333-W337 HydrophobicContact CB-CB 4.17Å; L333-W337 PolarHBondContact N-O 3.41Å; S334-W337 PolarHBondContact N-O 2.78Å; S334-W337 PolarHBondContact O-N 2.83Å; S334-W337 WeakPolarHBondContact OG-CB 3.25Å; S334-W337 VanDerWaalsContact OG-CD1 3.31Å; S334-W337 PolarHBondContact OG-N 3.11Å; W337-L398 HydrophobicContact CE3-CB 4.27Å; W337-L398 HydrophobicContact CZ3-CB 4.16Å; W337-K400 HydrophobicContact CD2-CB 4.46Å; W337-K400 HydrophobicContact CD2-CG 4.45Å; W337-K400 HydrophobicContact CE3-CB 4.01Å; W337-K400 HydrophobicContact CE3-CG 4.48Å; W337-K400 HydrophobicContact CH2-CB 3.85Å; W337-K400 HydrophobicContact CH2-CD 3.97Å; W337-K400 HydrophobicContact CH2-CG 4.08Å; W337-K400 HydrophobicContact CZ2-CB 4.29Å; W337-K400 HydrophobicContact CZ2-CD 3.89Å; W337-K400 HydrophobicContact CZ2-CG 4.01Å; W337-K400 HydrophobicContact CZ3-CB 3.7Å; W337-K400 HydrophobicContact CZ3-CG 4.31Å; W337-K538 WeakPolarHBondContact CH2-O 3.43Å; W337-K538 WeakPolarHBondContact CZ2-O 3.01Å; W337-T539 HydrophobicContact CB-CG2 4.17Å; W337-T539 HydrophobicContact CD2-CG2 3.66Å; W337-T539 HydrophobicContact CE3-CG2 3.92Å; W337-T539 HydrophobicContact CG-CG2 3.77Å; W337-T539 HydrophobicContact CZ3-CG2 4.48Å; W337-T539 PolarHBondContact NE1-O 3.19Å
338	V	98.6	Very high	96.3	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	142	172.1	171.8	0	0	0	0	109.1	V312 S331 L332 V357 L398 L399 L401	V312-V338 HydrophobicContact CB-CG1 4.25Å; V312-V338 HydrophobicContact CG1-CG1 3.98Å; V312-V338 HydrophobicContact CG1-CG2 4.35Å; V312-V338 HydrophobicContact CG2-CG1 4.22Å; V312-V338 HydrophobicContact CG2-CG2 4.19Å; S331-V338 CarbonylContact O-C 3.56Å; S331-V338 WeakPolarHBondContact O-CA 3.43Å; L332-V338 HydrophobicContact CD1-CG2 3.9Å; V338-V357 HydrophobicContact CG2-CG1 4.13Å; V338-L398 CarbonylContact O-C 3.37Å; V338-L398 WeakPolarHBondContact O-CA 3.37Å; V338-L399 HydrophobicContact CB-CB 4.3Å; V338-L399 PolarHBondContact N-O 3.41Å; V338-L399 PolarHBondContact O-N 2.84Å; V338-L401 HydrophobicContact CG2-CD1 4.21Å; V338-L401 HydrophobicContact CG2-CD2 4.17Å; V338-L401 HydrophobicContact CG2-CG 4.41Å
339	I	98.6	Very high	96.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	141	173.2	-170.2	167	0	0	0	109.9	G330 S331 L333 I396 A397 L398 L506 I509 I535	G330-I339 CarbonylContact C-O 3.58Å; G330-I339 VanDerWaalsContact CA-O 3.23Å; G330-I339 WeakPolarHBondContact CA-O 3.35Å; S331-I339 PolarHBondContact N-O 3.45Å; S331-I339 WeakPolarHBondContact O-CG2 3.35Å; S331-I339 PolarHBondContact O-N 2.87Å; L333-I339 HydrophobicContact CD1-CB 3.82Å; L333-I339 HydrophobicContact CD1-CD1 4.32Å; L333-I339 HydrophobicContact CD1-CG2 4.05Å; L333-I339 HydrophobicContact CD2-CB 4.43Å; L333-I339 HydrophobicContact CD2-CG2 3.73Å; L333-I339 HydrophobicContact CG-CB 4.03Å; L333-I339 HydrophobicContact CG-CG2 3.78Å; I339-I396 HydrophobicContact CD1-CD1 3.8Å; I339-I396 HydrophobicContact CD1-CG1 4.16Å; I339-I396 HydrophobicContact CG1-CD1 4.4Å; I339-I396 HydrophobicContact CG1-CG1 4.21Å; I339-A397 WeakPolarHBondContact CA-O 3.28Å; I339-L398 HydrophobicContact CB-CD2 3.9Å; I339-L398 HydrophobicContact CD1-CD2 4.22Å; I339-L398 HydrophobicContact CG1-CD2 4.01Å; I339-L506 HydrophobicContact CD1-CD2 4.34Å; I339-L506 HydrophobicContact CG2-CD2 3.54Å; I339-I509 HydrophobicContact CD1-CD1 3.83Å; I339-I509 HydrophobicContact CG1-CD1 3.72Å; I339-I535 HydrophobicContact CD1-CD1 3.82Å; I339-I535 HydrophobicContact CD1-CG1 4.36Å
340	T	98.1	Very high	96.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	-177.9	-178.7	-172.4	0	0	0	0	110	L314 G329 A397 L399	L314-T340 HydrophobicContact CD2-CG2 4.09Å; G329-T340 PolarHBondContact O-OG1 2.89Å; T340-A397 HydrophobicContact CG2-CB 4.32Å; T340-A397 PolarHBondContact N-O 3.44Å; T340-A397 PolarHBondContact O-N 3.13Å; T340-L399 HydrophobicContact CG2-CD1 4.15Å; T340-L399 HydrophobicContact CG2-CG 4.28Å
341	A	97.3	Very high	95.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.159	C	C	.	.			trans	-79.7	141.6	173.8	0	0	0	0	0	111	H343 C344 I509	A341-H343 VanDerWaalsContact C-N 3.35Å; A341-C344 WeakPolarHBondContact O-CB 2.85Å; A341-C344 PolarHBondContact O-N 2.86Å; A341-I509 HydrophobicContact CB-CG2 4.16Å
342	A	97.4	Very high	95.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-68.3	-35.3	179.5	0	0	0	0	0	112.3	C344 L345 V346 I381 Y385 D395 A397	A342-C344 PolarHBondContact O-N 2.01Å; A342-L345 PolarHBondContact O-N 3.12Å; A342-L345 VanDerWaalsContact O-N 3.15Å; A342-V346 PolarHBondContact O-N 3.24Å; A342-I381 HydrophobicContact CB-CG2 3.98Å; A342-Y385 HydrophobicContact CB-CD1 3.53Å; A342-Y385 HydrophobicContact CB-CD2 3.95Å; A342-Y385 HydrophobicContact CB-CE1 3.55Å; A342-Y385 HydrophobicContact CB-CE2 4Å; A342-Y385 HydrophobicContact CB-CG 3.71Å; A342-D395 WeakPolarHBondContact CA-OD1 3.04Å; A342-D395 PolarHBondContact N-OD1 3.1Å; A342-A397 HydrophobicContact CB-CB 4.27Å
343	H	94.3	Very high	95.5	Very high	12 Å²	12	45.1 Å²	45.1	6%	0.056	21%	0.211	C	C	.	.	H	α-helix	trans	-61.5	-30.7	179.8	78.7	-100.8	0	0	0	112	A341 L345 V346 L347 Y385 F387 D395 S492 S511	A341-H343 VanDerWaalsContact C-N 3.35Å; H343-L345 VanDerWaalsContact C-N 3.32Å; H343-L345 PolarHBondContact O-N 2.91Å; H343-V346 PolarHBondContact O-N 3.41Å; H343-L347 WeakPolarHBondContact O-CB 3.45Å; H343-L347 VanDerWaalsContact O-CG 3.26Å; H343-L347 WeakPolarHBondContact O-CG 3.1Å; H343-L347 PolarHBondContact O-N 3.37Å; H343-Y385 VanDerWaalsContact CA-OH 3.3Å; H343-Y385 WeakPolarHBondContact CA-OH 3.17Å; H343-Y385 VanDerWaalsContact CB-OH 3.24Å; H343-Y385 WeakPolarHBondContact CB-OH 3.26Å; H343-Y385 PolarHBondContact N-OH 3.05Å; H343-F387 HydrophobicContact CB-CE2 4.31Å; H343-D395 IonicContact CE1-OD2 2.88Å; H343-D395 PolarHBondContact CE1-OD2 2.61Å; H343-D395 IonicContact CG-OD1 2.77Å; H343-D395 IonicContact CG-OD2 3.51Å; H343-D395 PolarHBondContact N-OD1 3.08Å; H343-D395 VanDerWaalsContact ND1-CG 3.34Å; H343-D395 IonicContact ND1-OD1 3.3Å; H343-D395 PolarHBondContact ND1-OD1 2.76Å; H343-D395 IonicContact ND1-OD2 3.49Å; H343-D395 PolarHBondContact ND1-OD2 2.95Å; H343-S492 WeakPolarHBondContact NE2-CB 3.33Å; H343-S492 PolarHBondContact NE2-OG 2.86Å; H343-S511 PolarHBondContact CE1-O 2.65Å; H343-S511 VanDerWaalsContact CE1-O 3.3Å
344	C	94.3	Very high	95.3	Very high	3 Å²	3	50.7 Å²	50.7	2%	0.02	25%	0.245	C	C	.	.	H	α-helix	trans	-58.3	-44.8	176.1	-70.7	0	0	0	0	111.8	L314 C328 A341 A342 A348	L314-C344 HydrophobicContact CD2-CB 4.33Å; C328-C344 HydrophobicContact CB-CB 3.65Å; C328-C344 WeakPolarHBondContact CB-SG 3.02Å; C328-C344 WeakPolarHBondContact SG-CB 3.24Å; C328-C344 CovalentContact SG-SG 2.03Å; C328-C344 PolarHBondContact SG-SG 3.17Å; A341-C344 WeakPolarHBondContact O-CB 2.85Å; A341-C344 PolarHBondContact O-N 2.86Å; A342-C344 PolarHBondContact O-N 2.01Å; C344-A348 VanDerWaalsContact O-CB 3.26Å; C344-A348 WeakPolarHBondContact O-CB 3.25Å; C344-A348 PolarHBondContact O-N 2.79Å
345	L	95.5	Very high	95.3	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-70.4	-41	179.5	-53.1	-176.9	0	0	0	111.4	L314 A342 H343 A348 K349 I355 E379 I381 A397 L399	L314-L345 HydrophobicContact CD2-CD2 4.04Å; A342-L345 PolarHBondContact O-N 3.12Å; A342-L345 VanDerWaalsContact O-N 3.15Å; H343-L345 VanDerWaalsContact C-N 3.32Å; H343-L345 PolarHBondContact O-N 2.91Å; L345-A348 PolarHBondContact O-N 2.82Å; L345-K349 WeakPolarHBondContact O-CG 3.48Å; L345-K349 PolarHBondContact O-N 3.48Å; L345-K349 VanDerWaalsContact O-N 3.08Å; L345-I355 HydrophobicContact CD2-CD1 3.49Å; L345-I355 VanDerWaalsContact CD2-CD1 3.49Å; L345-E379 HydrophobicContact CD1-CB 4.46Å; L345-I381 HydrophobicContact CB-CD1 4.39Å; L345-I381 HydrophobicContact CD1-CD1 4.44Å; L345-I381 HydrophobicContact CD1-CG1 4.04Å; L345-A397 HydrophobicContact CD1-CB 3.57Å; L345-A397 HydrophobicContact CG-CB 4.44Å; L345-L399 HydrophobicContact CD1-CD2 3.73Å; L345-L399 HydrophobicContact CD2-CD1 4.38Å; L345-L399 HydrophobicContact CD2-CD2 3.99Å
346	V	95.1	Very high	95.3	Very high	29 Å²	29	48.6 Å²	48.6	18%	0.176	23%	0.232	C	C	.	.	H	α-helix	trans	-64.6	-46.5	178.1	176.2	0	0	0	0	111.2	A342 H343 K349 Q350 I381 Y385 F387	A342-V346 PolarHBondContact O-N 3.24Å; H343-V346 PolarHBondContact O-N 3.41Å; V346-K349 PolarHBondContact O-N 3.42Å; V346-Q350 WeakPolarHBondContact O-CG 3.26Å; V346-Q350 PolarHBondContact O-N 2.93Å; V346-I381 HydrophobicContact CG2-CD1 4.25Å; V346-Y385 HydrophobicContact CG2-CE1 3.97Å; V346-F387 HydrophobicContact CB-CD2 3.99Å; V346-F387 HydrophobicContact CB-CE2 4.44Å; V346-F387 HydrophobicContact CG1-CB 4.17Å; V346-F387 HydrophobicContact CG1-CD1 4.24Å; V346-F387 HydrophobicContact CG1-CD2 3.62Å; V346-F387 HydrophobicContact CG1-CE2 4.07Å; V346-F387 HydrophobicContact CG1-CG 3.75Å; V346-F387 HydrophobicContact CG2-CD2 4.5Å
347	L	92.3	Very high	95.4	Very high	60 Å²	60	44.8 Å²	44.8	31%	0.314	22%	0.215	S	C	.	.	H	α-helix	trans	-67.2	-36.5	178.6	-70	-179.6	0	0	0	112.3	H343 Q350 K351 F387	H343-L347 WeakPolarHBondContact O-CB 3.45Å; H343-L347 VanDerWaalsContact O-CG 3.26Å; H343-L347 WeakPolarHBondContact O-CG 3.1Å; H343-L347 PolarHBondContact O-N 3.37Å; L347-Q350 PolarHBondContact O-N 2.81Å; L347-K351 WeakPolarHBondContact O-CB 3.47Å; L347-K351 WeakPolarHBondContact O-CG 3.21Å; L347-K351 PolarHBondContact O-N 2.89Å; L347-K351 VanDerWaalsContact O-N 3.08Å; L347-F387 HydrophobicContact CD2-CE2 4.06Å; L347-F387 HydrophobicContact CD2-CZ 3.77Å; L347-F387 HydrophobicContact CG-CE2 4.25Å; L347-F387 HydrophobicContact CG-CZ 4.46Å
348	A	92.6	Very high	95.3	Very high	4 Å²	4	45 Å²	45	3%	0.033	22%	0.216	C	C	.	.	H	α-helix	trans	-61.6	-46	174.8	0	0	0	0	0	111.3	I327 C344 L345 K351 E352 Y353 I355	I327-A348 HydrophobicContact CD1-CB 3.88Å; C344-A348 VanDerWaalsContact O-CB 3.26Å; C344-A348 WeakPolarHBondContact O-CB 3.25Å; C344-A348 PolarHBondContact O-N 2.79Å; L345-A348 PolarHBondContact O-N 2.82Å; A348-K351 CarbonylContact O-C 3.52Å; A348-K351 PolarHBondContact O-N 3.29Å; A348-E352 PolarHBondContact O-N 3.48Å; A348-E352 VanDerWaalsContact O-N 3.13Å; A348-Y353 PolarHBondContact O-N 3.41Å; A348-I355 HydrophobicContact CB-CG2 3.69Å
349	K	94.1	Very high	95.3	Very high	120 Å²	120	45.1 Å²	45.1	52%	0.522	22%	0.217	S	C	.	.	H	α-helix	trans	-63.5	-42.7	176	-71.9	176.8	-175.8	177	0	112.6	L345 V346 K351 E352 E379	L345-K349 WeakPolarHBondContact O-CG 3.48Å; L345-K349 PolarHBondContact O-N 3.48Å; L345-K349 VanDerWaalsContact O-N 3.08Å; V346-K349 PolarHBondContact O-N 3.42Å; K349-K351 PolarHBondContact O-N 3.02Å; K349-E352 PolarHBondContact O-N 2.84Å; K349-E379 WeakPolarHBondContact CE-OE2 3.11Å; K349-E379 IonicContact NZ-OE2 3.62Å; K349-E379 PolarHBondContact NZ-OE2 2.87Å
350	Q	93.4	Very high	95.1	Very high	117 Å²	117	45.5 Å²	45.5	55%	0.547	22%	0.221	S	C	.	.	H	α-helix	trans	-61.7	-29.9	176.3	-75.1	175.7	6.9	0	0	113	V346 L347	V346-Q350 WeakPolarHBondContact O-CG 3.26Å; V346-Q350 PolarHBondContact O-N 2.93Å; L347-Q350 PolarHBondContact O-N 2.81Å
351	K	91.8	Very high	95	Very high	122 Å²	122	46 Å²	46	53%	0.53	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	4.7	176.3	-66.8	178.5	-177.3	173.3	0	113.5	L347 A348 K349 Y353	L347-K351 WeakPolarHBondContact O-CB 3.47Å; L347-K351 WeakPolarHBondContact O-CG 3.21Å; L347-K351 PolarHBondContact O-N 2.89Å; L347-K351 VanDerWaalsContact O-N 3.08Å; A348-K351 CarbonylContact O-C 3.52Å; A348-K351 PolarHBondContact O-N 3.29Å; K349-K351 PolarHBondContact O-N 3.02Å; K351-Y353 HydrophobicContact CB-CD1 4.05Å; K351-Y353 HydrophobicContact CB-CD2 3.84Å; K351-Y353 HydrophobicContact CB-CE1 3.97Å; K351-Y353 HydrophobicContact CB-CE2 3.77Å; K351-Y353 HydrophobicContact CB-CG 3.99Å; K351-Y353 HydrophobicContact CD-CD2 4.18Å; K351-Y353 HydrophobicContact CD-CE2 3.55Å; K351-Y353 HydrophobicContact CG-CE2 4.31Å; K351-Y353 WeakPolarHBondContact O-CD1 3.37Å; K351-Y353 WeakPolarHBondContact O-CE1 3.32Å; K351-Y353 PolarHBondContact O-N 2.04Å
352	E	93.7	Very high	94.8	Very high	181 Å²	181	46.5 Å²	46.5	85%	0.846	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.1	32.2	-177	-57.4	-179.5	159.4	0	0	113.5	A348 K349	A348-E352 PolarHBondContact O-N 3.48Å; A348-E352 VanDerWaalsContact O-N 3.13Å; K349-E352 PolarHBondContact O-N 2.84Å
353	Y	92.8	Very high	94.7	Very high	64 Å²	64	47.9 Å²	47.9	25%	0.251	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-83.7	129.4	177.3	-65.6	-16.6	0	0	0	110.9	A316 L318 I327 A348 K351	A316-Y353 HydrophobicContact CB-CD2 4.34Å; A316-Y353 HydrophobicContact CB-CG 4.37Å; L318-Y353 HydrophobicContact CD2-CD2 4.32Å; L318-Y353 HydrophobicContact CD2-CE1 4.36Å; L318-Y353 HydrophobicContact CD2-CE2 3.58Å; I327-Y353 HydrophobicContact CD1-CD2 4.45Å; A348-Y353 PolarHBondContact O-N 3.41Å; K351-Y353 HydrophobicContact CB-CD1 4.05Å; K351-Y353 HydrophobicContact CB-CD2 3.84Å; K351-Y353 HydrophobicContact CB-CE1 3.97Å; K351-Y353 HydrophobicContact CB-CE2 3.77Å; K351-Y353 HydrophobicContact CB-CG 3.99Å; K351-Y353 HydrophobicContact CD-CD2 4.18Å; K351-Y353 HydrophobicContact CD-CE2 3.55Å; K351-Y353 HydrophobicContact CG-CE2 4.31Å; K351-Y353 WeakPolarHBondContact O-CD1 3.37Å; K351-Y353 WeakPolarHBondContact O-CE1 3.32Å; K351-Y353 PolarHBondContact O-N 2.04Å
354	T	93.3	Very high	94.6	Very high	126 Å²	126	47.8 Å²	47.8	77%	0.773	23%	0.233	S	C	*	.	P	Polyproline II helix	trans	-81.9	119	166.6	-55.7	0	0	0	0	108.4
355	I	95.8	Very high	94.4	Very high	25 Å²	25	52 Å²	52	13%	0.128	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	145.4	-177.6	64.4	171.6	0	0	0	111.1	M315 I327 L345 A348	M315-I355 WeakPolarHBondContact O-CA 3.29Å; I327-I355 HydrophobicContact CD1-CG2 3.83Å; L345-I355 HydrophobicContact CD2-CD1 3.49Å; L345-I355 VanDerWaalsContact CD2-CD1 3.49Å; A348-I355 HydrophobicContact CB-CG2 3.69Å
356	F	97.3	Very high	94.2	Very high	50 Å²	50	55.7 Å²	55.7	22%	0.219	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	160.9	165.1	66.2	-89.1	0	0	0	109.6	M315 T324 R358 N373	M315-F356 HydrophobicContact CB-CD1 4.09Å; M315-F356 HydrophobicContact CB-CD2 3.94Å; M315-F356 HydrophobicContact CB-CE1 3.63Å; M315-F356 HydrophobicContact CB-CE2 3.45Å; M315-F356 VanDerWaalsContact CB-CE2 3.45Å; M315-F356 HydrophobicContact CB-CG 4.25Å; M315-F356 HydrophobicContact CB-CZ 3.29Å; M315-F356 HydrophobicContact CG-CD2 4.31Å; M315-F356 HydrophobicContact CG-CE2 3.7Å; M315-F356 HydrophobicContact CG-CZ 3.94Å; M315-F356 PolarHBondContact N-O 3.08Å; M315-F356 PolarHBondContact O-N 3.35Å; M315-F356 VanDerWaalsContact O-N 3.07Å; T324-F356 HydrophobicContact CG2-CE1 3.81Å; T324-F356 HydrophobicContact CG2-CZ 3.71Å; F356-R358 HydrophobicContact CE2-CB 4.45Å; F356-N373 HydrophobicContact CD2-CB 3.94Å; F356-N373 HydrophobicContact CE2-CB 3.99Å; F356-N373 WeakPolarHBondContact CE2-OD1 3.25Å
357	V	98.1	Very high	93.9	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.006	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	131.1	-178.7	163.3	0	0	0	0	109.5	V312 V338 V359 N373 H374 V376 L399 L401	V312-V357 HydrophobicContact CG1-CG1 3.53Å; V338-V357 HydrophobicContact CG2-CG1 4.13Å; V357-V359 HydrophobicContact CG1-CG1 4.16Å; V357-N373 CarbonylContact O-C 3.52Å; V357-N373 WeakPolarHBondContact O-CA 3.48Å; V357-H374 HydrophobicContact CB-CB 4.41Å; V357-H374 PolarHBondContact N-O 3.13Å; V357-H374 PolarHBondContact O-N 3.1Å; V357-V376 HydrophobicContact CG2-CG2 3.98Å; V357-L399 HydrophobicContact CG2-CD1 4.03Å; V357-L401 HydrophobicContact CB-CD2 3.81Å; V357-L401 HydrophobicContact CG1-CD2 3.86Å; V357-L401 HydrophobicContact CG2-CD2 3.81Å
358	R	97.7	Very high	93.9	Very high	30 Å²	30	59.9 Å²	59.9	11%	0.113	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	130.4	169.3	-176.6	178.2	-67.4	-167.8	-3.2	110.9	V312 G313 M315 F356 E361 E371 R372 N373	V312-R358 WeakPolarHBondContact CG1-O 3.37Å; G313-R358 PolarHBondContact N-O 3.05Å; G313-R358 PolarHBondContact O-N 3.04Å; M315-R358 HydrophobicContact CG-CB 3.5Å; M315-R358 VanDerWaalsContact CG-CB 3.5Å; M315-R358 HydrophobicContact SD-CB 4.28Å; F356-R358 HydrophobicContact CE2-CB 4.45Å; R358-E361 WeakPolarHBondContact CD-OE2 3.42Å; R358-E361 HydrophobicContact CG-CB 4.1Å; R358-E361 IonicContact CZ-OE2 2.79Å; R358-E361 IonicContact NE-OE2 3.53Å; R358-E361 IonicContact NH1-OE2 3.67Å; R358-E361 PolarHBondContact NH1-OE2 2.78Å; R358-E371 IonicContact CZ-OE2 2.68Å; R358-E371 IonicContact NE-OE2 3.8Å; R358-E371 IonicContact NH1-OE2 3.68Å; R358-E371 PolarHBondContact NH1-OE2 2.96Å; R358-E371 IonicContact NH2-OE2 3.7Å; R358-R372 WeakPolarHBondContact CA-O 3.45Å; R358-N373 WeakPolarHBondContact CG-OD1 3.04Å; R358-N373 PolarHBondContact NE-OD1 2.76Å
359	V	97.4	Very high	93.8	Very high	2 Å²	2	64.1 Å²	64.1	1%	0.012	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	152	175.3	-59.2	0	0	0	0	110.3	V312 L332 V357 E361 E371 R372 V405 R411	V312-V359 HydrophobicContact CG1-CG1 4.37Å; V312-V359 HydrophobicContact CG2-CG1 4.06Å; L332-V359 HydrophobicContact CD1-CG1 4.44Å; V357-V359 HydrophobicContact CG1-CG1 4.16Å; V359-E361 VanDerWaalsContact C-N 3.29Å; V359-E361 PolarHBondContact O-N 2.84Å; V359-E371 WeakPolarHBondContact O-CA 3.41Å; V359-R372 HydrophobicContact CG2-CB 3.9Å; V359-R372 PolarHBondContact N-O 2.81Å; V359-R372 PolarHBondContact O-N 2.9Å; V359-V405 HydrophobicContact CG1-CG2 4.28Å; V359-V405 HydrophobicContact CG2-CG1 3.87Å; V359-V405 HydrophobicContact CG2-CG2 4.21Å; V359-R411 HydrophobicContact CB-CG 4.24Å; V359-R411 HydrophobicContact CG2-CG 3.95Å
360	G	95.4	Very high	93.6	Very high	9 Å²	9	59.6 Å²	59.6	9%	0.093	32%	0.321	C	S	.	.	S	Bend	trans	72.5	17.8	178.5	0	0	0	0	0	115.1	S370	G360-S370 VanDerWaalsContact O-CB 3.3Å; G360-S370 WeakPolarHBondContact O-CB 3.49Å; G360-S370 PolarHBondContact O-OG 3.49Å
361	E	95.2	Very high	93.7	Very high	9 Å²	9	54.9 Å²	54.9	4%	0.042	30%	0.299	C	S	.	.			trans	-76	139.7	173.4	175.5	66.1	-104.4	0	0	110.4	R358 V359 D363 V364 E371 W437	R358-E361 WeakPolarHBondContact CD-OE2 3.42Å; R358-E361 HydrophobicContact CG-CB 4.1Å; R358-E361 IonicContact CZ-OE2 2.79Å; R358-E361 IonicContact NE-OE2 3.53Å; R358-E361 IonicContact NH1-OE2 3.67Å; R358-E361 PolarHBondContact NH1-OE2 2.78Å; V359-E361 VanDerWaalsContact C-N 3.29Å; V359-E361 PolarHBondContact O-N 2.84Å; E361-D363 PolarHBondContact OE1-N 3.43Å; E361-V364 HydrophobicContact CG-CG1 4.17Å; E361-V364 PolarHBondContact OE1-N 3.14Å; E361-E371 HydrophobicContact CB-CG 4.46Å; E361-W437 HydrophobicContact CB-CH2 4.06Å; E361-W437 HydrophobicContact CB-CZ2 3.86Å; E361-W437 HydrophobicContact CG-CH2 4.06Å; E361-W437 HydrophobicContact CG-CZ2 3.52Å; E361-W437 WeakPolarHBondContact O-CZ2 3.25Å
362	H	94.3	Very high	93.9	Very high	12 Å²	12	53.2 Å²	53.2	6%	0.056	29%	0.289	C	S	.	.			trans	-127.6	-57.8	169.3	179.6	64.9	0	0	0	111.3	E302 A303 E368 W437 K449 L450	E302-H362 IonicContact OE1-NE2 3.88Å; E302-H362 PolarHBondContact OE1-NE2 3.05Å; A303-H362 PolarHBondContact O-CE1 2.91Å; H362-E368 WeakPolarHBondContact CA-OE2 3.47Å; H362-E368 VanDerWaalsContact CB-OE2 3.25Å; H362-E368 WeakPolarHBondContact CB-OE2 3.42Å; H362-E368 PolarHBondContact N-OE2 2.94Å; H362-W437 PolarHBondContact O-NE1 3.36Å; H362-K449 CarbonylContact O-C 3.53Å; H362-K449 VanDerWaalsContact O-CA 3.27Å; H362-K449 WeakPolarHBondContact O-CA 3.49Å; H362-L450 PolarHBondContact O-N 2.85Å
363	D	94.2	Very high	94.1	Very high	28 Å²	28	48.8 Å²	48.8	15%	0.15	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-110.6	106.2	179.5	-170.6	-26	0	0	0	112.5	E361 N365 V366 E368 K449	E361-D363 PolarHBondContact OE1-N 3.43Å; D363-N365 PolarHBondContact O-N 3.27Å; D363-N365 WeakPolarHBondContact OD1-CB 2.98Å; D363-N365 PolarHBondContact OD1-N 3.37Å; D363-N365 PolarHBondContact OD1-ND2 3.01Å; D363-V366 PolarHBondContact O-N 3Å; D363-E368 PolarHBondContact N-OE2 3.07Å; D363-K449 HydrophobicContact CB-CG 4Å; D363-K449 WeakPolarHBondContact OD2-CE 3.34Å
364	V	91.6	Very high	94.3	Very high	11 Å²	11	46.2 Å²	46.2	7%	0.067	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-0.9	-174.4	-50.8	0	0	0	0	114.3	K323 L325 P326 E361 W437 D448	K323-V364 WeakPolarHBondContact CE-O 3.06Å; K323-V364 PolarHBondContact NZ-O 2.9Å; L325-V364 HydrophobicContact CD2-CB 4.32Å; L325-V364 HydrophobicContact CD2-CG2 3.84Å; P326-V364 HydrophobicContact CG-CG1 4.05Å; E361-V364 HydrophobicContact CG-CG1 4.17Å; E361-V364 PolarHBondContact OE1-N 3.14Å; V364-W437 HydrophobicContact CG1-CG 4.2Å; V364-D448 VanDerWaalsContact CG2-O 3.3Å; V364-D448 WeakPolarHBondContact CG2-O 3.34Å; V364-D448 PolarHBondContact N-O 3.37Å
365	N	90.8	Very high	94.6	Very high	90 Å²	90	47.3 Å²	47.3	48%	0.481	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-13.9	173	-66.1	-68.8	0	0	0	113.6	K323 D363 D448	K323-N365 PolarHBondContact NZ-OD1 3.04Å; D363-N365 PolarHBondContact O-N 3.27Å; D363-N365 WeakPolarHBondContact OD1-CB 2.98Å; D363-N365 PolarHBondContact OD1-N 3.37Å; D363-N365 PolarHBondContact OD1-ND2 3.01Å; N365-D448 WeakPolarHBondContact ND2-CB 3.46Å; N365-D448 PolarHBondContact ND2-OD1 3.41Å
366	V	91.6	Very high	94.7	Very high	79 Å²	79	47.8 Å²	47.8	48%	0.479	26%	0.262	S	S	.	.	S	Bend	trans	-119.3	151.9	-177.1	-171.9	0	0	0	0	108.1	D363	D363-V366 PolarHBondContact O-N 3Å
367	V	89.2	Confident	94.7	Very high	127 Å²	127	48.2 Å²	48.2	77%	0.77	28%	0.275	S	S	*	.			trans	-97.6	109.3	169	-179.4	0	0	0	0	107.5	E371	V367-E371 WeakPolarHBondContact CA-OE1 3.37Å
368	E	91.3	Very high	94.7	Very high	50 Å²	50	51.9 Å²	51.9	23%	0.234	29%	0.292	C	S	.	.			trans	-91.6	154.6	-178.4	-60.8	178.6	110	0	0	111.5	H362 D363 S370 E371	H362-E368 WeakPolarHBondContact CA-OE2 3.47Å; H362-E368 VanDerWaalsContact CB-OE2 3.25Å; H362-E368 WeakPolarHBondContact CB-OE2 3.42Å; H362-E368 PolarHBondContact N-OE2 2.94Å; D363-E368 PolarHBondContact N-OE2 3.07Å; E368-S370 PolarHBondContact O-N 3.45Å; E368-E371 HydrophobicContact CB-CG 4.35Å; E368-E371 PolarHBondContact N-OE1 3.25Å; E368-E371 PolarHBondContact O-N 2.99Å
369	A	90.1	Very high	94.6	Very high	94 Å²	94	53.8 Å²	53.8	78%	0.777	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-20.5	-179.2	0	0	0	0	0	113.5	R372	A369-R372 PolarHBondContact O-NH1 2.87Å
370	S	91.1	Very high	94.7	Very high	25 Å²	25	55.4 Å²	55.4	18%	0.175	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-25.7	179.4	45.3	0	0	0	0	113.4	G360 E368 R372 R411	G360-S370 VanDerWaalsContact O-CB 3.3Å; G360-S370 WeakPolarHBondContact O-CB 3.49Å; G360-S370 PolarHBondContact O-OG 3.49Å; E368-S370 PolarHBondContact O-N 3.45Å; S370-R372 PolarHBondContact O-N 3.27Å; S370-R411 WeakPolarHBondContact O-CD 3.41Å; S370-R411 PolarHBondContact O-NE 2.97Å
371	E	95.2	Very high	94.8	Very high	17 Å²	17	57.9 Å²	57.9	8%	0.079	32%	0.32	C	S	.	.			trans	-64.3	133.7	-173.5	-71.5	172.2	-130.9	0	0	112.3	R358 V359 E361 V367 E368	R358-E371 IonicContact CZ-OE2 2.68Å; R358-E371 IonicContact NE-OE2 3.8Å; R358-E371 IonicContact NH1-OE2 3.68Å; R358-E371 PolarHBondContact NH1-OE2 2.96Å; R358-E371 IonicContact NH2-OE2 3.7Å; V359-E371 WeakPolarHBondContact O-CA 3.41Å; E361-E371 HydrophobicContact CB-CG 4.46Å; V367-E371 WeakPolarHBondContact CA-OE1 3.37Å; E368-E371 HydrophobicContact CB-CG 4.35Å; E368-E371 PolarHBondContact N-OE1 3.25Å; E368-E371 PolarHBondContact O-N 2.99Å
372	R	96.6	Very high	94.9	Very high	87 Å²	87	58 Å²	58	33%	0.328	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	133.8	165.9	-63.4	-65.2	179.1	-86.7	-0.7	110.4	R358 V359 A369 S370 E406	R358-R372 WeakPolarHBondContact CA-O 3.45Å; V359-R372 HydrophobicContact CG2-CB 3.9Å; V359-R372 PolarHBondContact N-O 2.81Å; V359-R372 PolarHBondContact O-N 2.9Å; A369-R372 PolarHBondContact O-NH1 2.87Å; S370-R372 PolarHBondContact O-N 3.27Å; R372-E406 IonicContact NE-OE2 2.95Å; R372-E406 IonicContact NH2-OE2 3.55Å
373	N	97.1	Very high	95	Very high	88 Å²	88	64.1 Å²	64.1	47%	0.471	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	135.5	176.4	-60.9	-31.6	0	0	0	109.5	F356 V357 R358	F356-N373 HydrophobicContact CD2-CB 3.94Å; F356-N373 HydrophobicContact CE2-CB 3.99Å; F356-N373 WeakPolarHBondContact CE2-OD1 3.25Å; V357-N373 CarbonylContact O-C 3.52Å; V357-N373 WeakPolarHBondContact O-CA 3.48Å; R358-N373 WeakPolarHBondContact CG-OD1 3.04Å; R358-N373 PolarHBondContact NE-OD1 2.76Å
374	H	98.3	Very high	95.1	Very high	11 Å²	11	68.6 Å²	68.6	5%	0.051	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	132.6	-179.7	-66.2	-91.4	0	0	0	109.6	V357 L401 T403 P404	V357-H374 HydrophobicContact CB-CB 4.41Å; V357-H374 PolarHBondContact N-O 3.13Å; V357-H374 PolarHBondContact O-N 3.1Å; H374-L401 HydrophobicContact CB-CB 4.32Å; H374-L401 HydrophobicContact CB-CD1 4.1Å; H374-L401 HydrophobicContact CB-CD2 4.1Å; H374-L401 HydrophobicContact CB-CG 4.4Å; H374-T403 PolarHBondContact ND1-O 3.24Å; H374-T403 PolarHBondContact ND1-OG1 2.85Å; H374-P404 PolarHBondContact CE1-O 2.01Å; H374-P404 VanDerWaalsContact CE1-O 3.29Å
375	E	97.9	Very high	95.3	Very high	148 Å²	148	69.1 Å²	69.1	69%	0.692	37%	0.365	S	S	*	.			trans	-73.5	151.6	170.2	-66.1	-178.5	178.4	0	0	110.6	A402	E375-A402 HydrophobicContact CB-CB 4.11Å; E375-A402 PolarHBondContact O-N 3.39Å
376	V	97.8	Very high	95.4	Very high	35 Å²	35	67.6 Å²	67.6	21%	0.212	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	115.5	176.3	179.5	0	0	0	0	108.6	V357 E379 L399	V357-V376 HydrophobicContact CG2-CG2 3.98Å; V376-E379 HydrophobicContact CG1-CG 3.75Å; V376-L399 HydrophobicContact CG1-CB 4.33Å; V376-L399 HydrophobicContact CG1-CD2 3.98Å; V376-L399 HydrophobicContact CG2-CD1 4.3Å
377	A	97.6	Very high	95.4	Very high	60 Å²	60	65.9 Å²	65.9	50%	0.496	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	-41.1	177	0	0	0	0	0	112.2	K400 A402	A377-K400 PolarHBondContact N-O 2.89Å; A377-A402 HydrophobicContact CB-CB 4.09Å
378	E	97.6	Very high	95.4	Very high	78 Å²	78	65.3 Å²	65.3	36%	0.364	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	138.7	-179.3	-56.4	171.3	-143.1	0	0	111	H380 K400	E378-H380 IonicContact OE2-CE1 3.49Å; E378-H380 PolarHBondContact OE2-CE1 3.15Å; E378-H380 IonicContact OE2-NE2 3.59Å; E378-H380 PolarHBondContact OE2-NE2 2.95Å; E378-K400 HydrophobicContact CB-CB 3.97Å; E378-K400 HydrophobicContact CB-CD 4.48Å; E378-K400 HydrophobicContact CG-CD 4.26Å; E378-K400 PolarHBondContact N-O 2.93Å; E378-K400 PolarHBondContact O-N 3.11Å; E378-K400 WeakPolarHBondContact OE1-CD 3.38Å; E378-K400 IonicContact OE1-NZ 3.94Å; E378-K400 PolarHBondContact OE1-NZ 3.27Å
379	E	97.5	Very high	95.2	Very high	69 Å²	69	70.9 Å²	70.9	32%	0.322	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	123.6	173.6	-62.9	178.8	-174.3	0	0	110.1	L345 K349 V376 L399	L345-E379 HydrophobicContact CD1-CB 4.46Å; K349-E379 WeakPolarHBondContact CE-OE2 3.11Å; K349-E379 IonicContact NZ-OE2 3.62Å; K349-E379 PolarHBondContact NZ-OE2 2.87Å; V376-E379 HydrophobicContact CG1-CG 3.75Å; E379-L399 HydrophobicContact CB-CD2 4.24Å; E379-L399 HydrophobicContact CG-CD2 3.81Å
380	H	97.9	Very high	95	Very high	37 Å²	37	68.8 Å²	68.8	17%	0.171	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	89.3	179.4	-65.1	-96.5	0	0	0	109.5	E378 A397 L398 W534 K538	E378-H380 IonicContact OE2-CE1 3.49Å; E378-H380 PolarHBondContact OE2-CE1 3.15Å; E378-H380 IonicContact OE2-NE2 3.59Å; E378-H380 PolarHBondContact OE2-NE2 2.95Å; H380-A397 WeakPolarHBondContact O-CA 3.34Å; H380-L398 HydrophobicContact CB-CB 4.16Å; H380-L398 PolarHBondContact N-O 3.35Å; H380-L398 PolarHBondContact O-N 3.13Å; H380-W534 HydrophobicContact CB-CZ2 4.38Å; H380-W534 WeakPolarHBondContact O-CH2 3.29Å; H380-W534 WeakPolarHBondContact O-CZ2 3.31Å; H380-K538 PolarHBondContact ND1-NZ 3.29Å; H380-K538 VanDerWaalsContact ND1-NZ 3.12Å
381	I	97.8	Very high	94.7	Very high	60 Å²	60	72.1 Å²	72.1	31%	0.308	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	137.5	169.8	-65.8	174.1	0	0	0	108.9	A342 L345 V346 H383 Y385 A397	A342-I381 HydrophobicContact CB-CG2 3.98Å; L345-I381 HydrophobicContact CB-CD1 4.39Å; L345-I381 HydrophobicContact CD1-CD1 4.44Å; L345-I381 HydrophobicContact CD1-CG1 4.04Å; V346-I381 HydrophobicContact CG2-CD1 4.25Å; I381-H383 PolarHBondContact O-N 3.28Å; I381-Y385 HydrophobicContact CG2-CD1 3.66Å; I381-Y385 HydrophobicContact CG2-CG 4.11Å; I381-A397 HydrophobicContact CG1-CB 4.16Å
382	H	97.7	Very high	94.4	Very high	11 Å²	11	73.5 Å²	73.5	5%	0.051	37%	0.369	C	S	.	.			trans	-60.3	132.5	179.1	-170.6	-88	0	0	0	111.6	R384 Y385 I396 Y531 W534	H382-R384 PolarHBondContact ND1-N 3.21Å; H382-R384 PolarHBondContact O-N 3Å; H382-R384 VanDerWaalsContact O-N 3.09Å; H382-Y385 WeakPolarHBondContact O-CB 3.46Å; H382-Y385 PolarHBondContact O-N 3.04Å; H382-I396 HydrophobicContact CB-CG2 3.65Å; H382-I396 WeakPolarHBondContact CB-O 3.17Å; H382-I396 PolarHBondContact N-O 3.02Å; H382-Y531 AromaticContact CD2-CD1 3.51Å; H382-Y531 AromaticContact CD2-CE1 3.83Å; H382-Y531 AromaticContact CE1-CE1 3.82Å; H382-Y531 AromaticContact NE2-CD1 3.47Å; H382-Y531 WeakPolarHBondContact NE2-CD1 3.15Å; H382-Y531 AromaticContact NE2-CE1 3.67Å; H382-W534 HydrophobicContact CB-CH2 4.29Å; H382-W534 HydrophobicContact CB-CZ2 4.2Å; H382-W534 AromaticContact CD2-CD2 3.57Å; H382-W534 AromaticContact CD2-CE2 3.78Å; H382-W534 AromaticContact CD2-CE3 3.91Å; H382-W534 AromaticContact CD2-CG 3.8Å
383	H	95.9	Very high	94.3	Very high	142 Å²	142	71 Å²	71	66%	0.657	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-22.3	-171.1	64.8	95.2	0	0	0	114.9	I381	I381-H383 PolarHBondContact O-N 3.28Å
384	R	96.3	Very high	94.2	Very high	121 Å²	121	67.5 Å²	67.5	46%	0.457	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-5.7	174	-59.5	-172.9	177.9	164.4	2.9	113.9	H382 H394	H382-R384 PolarHBondContact ND1-N 3.21Å; H382-R384 PolarHBondContact O-N 3Å; H382-R384 VanDerWaalsContact O-N 3.09Å; R384-H394 HydrophobicContact CB-CB 4.21Å; R384-H394 VanDerWaalsContact CB-CD2 3.47Å; R384-H394 WeakPolarHBondContact CB-CD2 3.36Å; R384-H394 PolarHBondContact O-CD2 3.02Å
385	Y	96.4	Very high	94.1	Very high	22 Å²	22	67 Å²	67	9%	0.086	34%	0.34	C	S	.	.			trans	-72.5	130.4	177	-176.2	-111.3	0	0	0	110.5	A342 H343 V346 I381 H382 F387 Q391 N393 H394 D395	A342-Y385 HydrophobicContact CB-CD1 3.53Å; A342-Y385 HydrophobicContact CB-CD2 3.95Å; A342-Y385 HydrophobicContact CB-CE1 3.55Å; A342-Y385 HydrophobicContact CB-CE2 4Å; A342-Y385 HydrophobicContact CB-CG 3.71Å; H343-Y385 VanDerWaalsContact CA-OH 3.3Å; H343-Y385 WeakPolarHBondContact CA-OH 3.17Å; H343-Y385 VanDerWaalsContact CB-OH 3.24Å; H343-Y385 WeakPolarHBondContact CB-OH 3.26Å; H343-Y385 PolarHBondContact N-OH 3.05Å; V346-Y385 HydrophobicContact CG2-CE1 3.97Å; I381-Y385 HydrophobicContact CG2-CD1 3.66Å; I381-Y385 HydrophobicContact CG2-CG 4.11Å; H382-Y385 WeakPolarHBondContact O-CB 3.46Å; H382-Y385 PolarHBondContact O-N 3.04Å; Y385-F387 HydrophobicContact CE1-CB 4.13Å; Y385-F387 HydrophobicContact CE1-CD2 4.48Å; Y385-F387 VanDerWaalsContact OH-CD2 3.26Å; Y385-F387 WeakPolarHBondContact OH-CD2 3.39Å; Y385-Q391 WeakPolarHBondContact CE2-O 3.36Å; Y385-Q391 PolarHBondContact OH-O 3.03Å; Y385-N393 VanDerWaalsContact CD2-O 3.28Å; Y385-N393 WeakPolarHBondContact CD2-O 3Å; Y385-H394 WeakPolarHBondContact CB-O 3.39Å; Y385-H394 VanDerWaalsContact CD2-O 3.25Å; Y385-H394 WeakPolarHBondContact CD2-O 3.48Å; Y385-D395 HydrophobicContact CD2-CB 4.37Å; Y385-D395 HydrophobicContact CE2-CB 3.94Å
386	N	93.6	Very high	94.2	Very high	59 Å²	59	59.9 Å²	59.9	32%	0.316	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-142.8	97.1	177.9	-173.6	-28.6	0	0	0	111	S388 Q389 S390	N386-S388 PolarHBondContact O-N 3.46Å; N386-S388 VanDerWaalsContact O-N 3.15Å; N386-S388 PolarHBondContact OD1-N 3.39Å; N386-S388 VanDerWaalsContact OD1-N 3.09Å; N386-Q389 HydrophobicContact CB-CB 4.3Å; N386-Q389 VanDerWaalsContact ND2-CD 3.33Å; N386-Q389 PolarHBondContact ND2-NE2 3.11Å; N386-Q389 PolarHBondContact O-N 2.93Å; N386-Q389 VanDerWaalsContact O-N 3.17Å; N386-Q389 PolarHBondContact OD1-N 2.97Å; N386-S390 CarbonylContact C-O 3.58Å; N386-S390 CarbonylContact O-C 3.48Å; N386-S390 PolarHBondContact O-N 3.25Å
387	F	90.4	Very high	94.2	Very high	42 Å²	42	58.2 Å²	58.2	18%	0.184	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-33.2	-177.9	-169.4	-86.4	0	0	0	113.7	H343 V346 L347 Y385 Q391	H343-F387 HydrophobicContact CB-CE2 4.31Å; V346-F387 HydrophobicContact CB-CD2 3.99Å; V346-F387 HydrophobicContact CB-CE2 4.44Å; V346-F387 HydrophobicContact CG1-CB 4.17Å; V346-F387 HydrophobicContact CG1-CD1 4.24Å; V346-F387 HydrophobicContact CG1-CD2 3.62Å; V346-F387 HydrophobicContact CG1-CE2 4.07Å; V346-F387 HydrophobicContact CG1-CG 3.75Å; V346-F387 HydrophobicContact CG2-CD2 4.5Å; L347-F387 HydrophobicContact CD2-CE2 4.06Å; L347-F387 HydrophobicContact CD2-CZ 3.77Å; L347-F387 HydrophobicContact CG-CE2 4.25Å; L347-F387 HydrophobicContact CG-CZ 4.46Å; Y385-F387 HydrophobicContact CE1-CB 4.13Å; Y385-F387 HydrophobicContact CE1-CD2 4.48Å; Y385-F387 VanDerWaalsContact OH-CD2 3.26Å; Y385-F387 WeakPolarHBondContact OH-CD2 3.39Å; F387-Q391 HydrophobicContact CE1-CG 4.45Å; F387-Q391 HydrophobicContact CE2-CG 4.43Å; F387-Q391 HydrophobicContact CZ-CG 4.31Å
388	S	88.9	Confident	94.2	Very high	116 Å²	116	55.4 Å²	55.4	81%	0.811	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-30	-177.5	-58.3	0	0	0	0	113.5	N386	N386-S388 PolarHBondContact O-N 3.46Å; N386-S388 VanDerWaalsContact O-N 3.15Å; N386-S388 PolarHBondContact OD1-N 3.39Å; N386-S388 VanDerWaalsContact OD1-N 3.09Å
389	Q	87.4	Confident	94.3	Very high	167 Å²	167	51.7 Å²	51.7	78%	0.78	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-43.3	178.4	-68.5	-179.4	5	0	0	112	N386	N386-Q389 HydrophobicContact CB-CB 4.3Å; N386-Q389 VanDerWaalsContact ND2-CD 3.33Å; N386-Q389 PolarHBondContact ND2-NE2 3.11Å; N386-Q389 PolarHBondContact O-N 2.93Å; N386-Q389 VanDerWaalsContact O-N 3.17Å; N386-Q389 PolarHBondContact OD1-N 2.97Å
390	S	86.9	Confident	94.3	Very high	49 Å²	49	51.7 Å²	51.7	34%	0.343	26%	0.255	S	S	.	.	B	Isolated β-bridge	trans	-150	113	178.7	-176.5	0	0	0	0	109.4	N386 F392 N393	N386-S390 CarbonylContact C-O 3.58Å; N386-S390 CarbonylContact O-C 3.48Å; N386-S390 PolarHBondContact O-N 3.25Å; S390-F392 PolarHBondContact O-N 3.11Å; S390-F392 VanDerWaalsContact O-N 3.14Å; S390-N393 VanDerWaalsContact OG-CB 3.23Å; S390-N393 WeakPolarHBondContact OG-CB 3.32Å; S390-N393 PolarHBondContact OG-N 3.4Å
391	Q	84.9	Confident	94.3	Very high	95 Å²	95	50 Å²	50	44%	0.444	25%	0.248	S	C	.	.	S	Bend	trans	-61.6	-25.1	-177.1	-68.4	-179.2	-32	0	0	113.3	Y385 F387	Y385-Q391 WeakPolarHBondContact CE2-O 3.36Å; Y385-Q391 PolarHBondContact OH-O 3.03Å; F387-Q391 HydrophobicContact CE1-CG 4.45Å; F387-Q391 HydrophobicContact CE2-CG 4.43Å; F387-Q391 HydrophobicContact CZ-CG 4.31Å
392	F	88	Confident	94.4	Very high	46 Å²	46	49.7 Å²	49.7	20%	0.202	25%	0.254	C	S	.	.	S	Bend	trans	-124.6	-14.1	-166.9	-51.4	-59.2	0	0	0	114.4	S390 D395 M475 W512	S390-F392 PolarHBondContact O-N 3.11Å; S390-F392 VanDerWaalsContact O-N 3.14Å; F392-D395 WeakPolarHBondContact O-CB 3.38Å; F392-D395 PolarHBondContact O-N 3.17Å; F392-M475 VanDerWaalsContact C-CE 3.49Å; F392-M475 HydrophobicContact CB-CE 4.29Å; F392-M475 VanDerWaalsContact O-CE 3.28Å; F392-M475 WeakPolarHBondContact O-CE 3Å; F392-W512 HydrophobicContact CB-CG 4.02Å; F392-W512 HydrophobicContact CD1-CB 3.68Å; F392-W512 AromaticContact CD1-CD1 3.73Å; F392-W512 AromaticContact CD1-CG 3.82Å; F392-W512 HydrophobicContact CD1-CG 3.82Å; F392-W512 HydrophobicContact CD2-CB 4.09Å; F392-W512 AromaticContact CD2-CD1 3.74Å; F392-W512 AromaticContact CD2-CD2 3.91Å; F392-W512 HydrophobicContact CD2-CD2 3.91Å; F392-W512 AromaticContact CD2-CG 3.62Å; F392-W512 HydrophobicContact CD2-CG 3.62Å; F392-W512 HydrophobicContact CE1-CB 3.65Å; F392-W512 HydrophobicContact CE1-CG 4.2Å; F392-W512 HydrophobicContact CE2-CB 4.07Å; F392-W512 HydrophobicContact CE2-CD2 4.3Å; F392-W512 HydrophobicContact CE2-CG 4.02Å; F392-W512 HydrophobicContact CG-CB 3.91Å; F392-W512 AromaticContact CG-CD1 3.27Å; F392-W512 HydrophobicContact CG-CD2 4.24Å; F392-W512 AromaticContact CG-CG 3.52Å; F392-W512 HydrophobicContact CG-CG 3.52Å; F392-W512 AromaticContact CG-NE1 3.81Å; F392-W512 HydrophobicContact CZ-CB 3.86Å; F392-W512 HydrophobicContact CZ-CG 4.3Å
393	N	93.8	Very high	94.4	Very high	34 Å²	34	52.5 Å²	52.5	18%	0.182	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	133.2	175.9	-167.5	45	0	0	0	110.9	Y385 S390 D395 T472 M475	Y385-N393 VanDerWaalsContact CD2-O 3.28Å; Y385-N393 WeakPolarHBondContact CD2-O 3Å; S390-N393 VanDerWaalsContact OG-CB 3.23Å; S390-N393 WeakPolarHBondContact OG-CB 3.32Å; S390-N393 PolarHBondContact OG-N 3.4Å; N393-D395 PolarHBondContact O-N 3.06Å; N393-T472 WeakPolarHBondContact OD1-CG2 3.42Å; N393-T472 PolarHBondContact OD1-OG1 3.33Å; N393-M475 HydrophobicContact CB-CE 3.79Å
394	H	96	Very high	94.5	Very high	15 Å²	15	48.8 Å²	48.8	7%	0.069	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	32.1	-170.3	-55.4	-68.4	0	0	0	114.4	R384 Y385 I396 F474 Y531	R384-H394 HydrophobicContact CB-CB 4.21Å; R384-H394 VanDerWaalsContact CB-CD2 3.47Å; R384-H394 WeakPolarHBondContact CB-CD2 3.36Å; R384-H394 PolarHBondContact O-CD2 3.02Å; Y385-H394 WeakPolarHBondContact CB-O 3.39Å; Y385-H394 VanDerWaalsContact CD2-O 3.25Å; Y385-H394 WeakPolarHBondContact CD2-O 3.48Å; H394-I396 VanDerWaalsContact C-N 3.32Å; H394-I396 PolarHBondContact O-N 2.85Å; H394-F474 AromaticContact CE1-CD1 3.84Å; H394-F474 AromaticContact CE1-CD2 3.39Å; H394-F474 WeakPolarHBondContact CE1-CD2 3.23Å; H394-F474 AromaticContact CE1-CE1 3.87Å; H394-F474 AromaticContact CE1-CE2 3.42Å; H394-F474 VanDerWaalsContact CE1-CE2 3.42Å; H394-F474 WeakPolarHBondContact CE1-CE2 3.34Å; H394-F474 AromaticContact CE1-CG 3.61Å; H394-F474 AromaticContact CE1-CZ 3.67Å; H394-F474 AromaticContact ND1-CG 3.98Å; H394-F474 AromaticContact NE2-CD2 3.94Å; H394-F474 AromaticContact NE2-CE2 3.9Å; H394-Y531 VanDerWaalsContact CA-OH 3.32Å; H394-Y531 WeakPolarHBondContact CA-OH 3.01Å; H394-Y531 AromaticContact ND1-CE1 3.66Å; H394-Y531 AromaticContact ND1-CZ 3.64Å; H394-Y531 PolarHBondContact ND1-OH 3.37Å
395	D	96.8	Very high	94.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.239	C	C	.	.			trans	-76.7	79	-177.2	-176.7	30.6	0	0	0	112.4	A342 H343 Y385 F392 N393 S511 T526	A342-D395 WeakPolarHBondContact CA-OD1 3.04Å; A342-D395 PolarHBondContact N-OD1 3.1Å; H343-D395 IonicContact CE1-OD2 2.88Å; H343-D395 PolarHBondContact CE1-OD2 2.61Å; H343-D395 IonicContact CG-OD1 2.77Å; H343-D395 IonicContact CG-OD2 3.51Å; H343-D395 PolarHBondContact N-OD1 3.08Å; H343-D395 VanDerWaalsContact ND1-CG 3.34Å; H343-D395 IonicContact ND1-OD1 3.3Å; H343-D395 PolarHBondContact ND1-OD1 2.76Å; H343-D395 IonicContact ND1-OD2 3.49Å; H343-D395 PolarHBondContact ND1-OD2 2.95Å; Y385-D395 HydrophobicContact CD2-CB 4.37Å; Y385-D395 HydrophobicContact CE2-CB 3.94Å; F392-D395 WeakPolarHBondContact O-CB 3.38Å; F392-D395 PolarHBondContact O-N 3.17Å; N393-D395 PolarHBondContact O-N 3.06Å; D395-S511 WeakPolarHBondContact OD2-CB 3.43Å; D395-S511 PolarHBondContact OD2-OG 3.02Å; D395-T526 PolarHBondContact O-OG1 3.17Å
396	I	98.2	Very high	94.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.262	C	S	.	.			trans	-150.5	136.7	-178.1	-178.9	175.9	0	0	0	110.5	I339 H382 H394 I509 T526 Y531 W534 I535	I339-I396 HydrophobicContact CD1-CD1 3.8Å; I339-I396 HydrophobicContact CD1-CG1 4.16Å; I339-I396 HydrophobicContact CG1-CD1 4.4Å; I339-I396 HydrophobicContact CG1-CG1 4.21Å; H382-I396 HydrophobicContact CB-CG2 3.65Å; H382-I396 WeakPolarHBondContact CB-O 3.17Å; H382-I396 PolarHBondContact N-O 3.02Å; H394-I396 VanDerWaalsContact C-N 3.32Å; H394-I396 PolarHBondContact O-N 2.85Å; I396-I509 HydrophobicContact CB-CD1 4.17Å; I396-I509 HydrophobicContact CD1-CD1 3.92Å; I396-I509 HydrophobicContact CG1-CD1 3.66Å; I396-T526 HydrophobicContact CB-CG2 4.17Å; I396-Y531 HydrophobicContact CD1-CD2 3.95Å; I396-Y531 HydrophobicContact CD1-CG 3.82Å; I396-Y531 HydrophobicContact CG2-CD1 3.89Å; I396-Y531 HydrophobicContact CG2-CD2 4.29Å; I396-Y531 HydrophobicContact CG2-CE1 3.84Å; I396-Y531 HydrophobicContact CG2-CE2 4.27Å; I396-Y531 HydrophobicContact CG2-CG 4.11Å; I396-W534 HydrophobicContact CD1-CE3 4.28Å; I396-W534 HydrophobicContact CD1-CZ3 3.77Å; I396-W534 HydrophobicContact CG1-CH2 4.46Å; I396-W534 HydrophobicContact CG1-CZ3 3.83Å; I396-W534 HydrophobicContact CG2-CZ3 4.41Å; I396-I535 HydrophobicContact CD1-CD1 4.39Å
397	A	98.4	Very high	94.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	151.8	174.2	0	0	0	0	0	111.4	I339 T340 A342 L345 H380 I381	I339-A397 WeakPolarHBondContact CA-O 3.28Å; T340-A397 HydrophobicContact CG2-CB 4.32Å; T340-A397 PolarHBondContact N-O 3.44Å; T340-A397 PolarHBondContact O-N 3.13Å; A342-A397 HydrophobicContact CB-CB 4.27Å; L345-A397 HydrophobicContact CD1-CB 3.57Å; L345-A397 HydrophobicContact CG-CB 4.44Å; H380-A397 WeakPolarHBondContact O-CA 3.34Å; I381-A397 HydrophobicContact CG1-CB 4.16Å
398	L	98.6	Very high	94.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	136.5	172.3	-70.7	165.9	0	0	0	109.5	L333 W337 V338 I339 H380 W534 I535 K538 T539	L333-L398 HydrophobicContact CD1-CD2 3.72Å; W337-L398 HydrophobicContact CE3-CB 4.27Å; W337-L398 HydrophobicContact CZ3-CB 4.16Å; V338-L398 CarbonylContact O-C 3.37Å; V338-L398 WeakPolarHBondContact O-CA 3.37Å; I339-L398 HydrophobicContact CB-CD2 3.9Å; I339-L398 HydrophobicContact CD1-CD2 4.22Å; I339-L398 HydrophobicContact CG1-CD2 4.01Å; H380-L398 HydrophobicContact CB-CB 4.16Å; H380-L398 PolarHBondContact N-O 3.35Å; H380-L398 PolarHBondContact O-N 3.13Å; L398-W534 HydrophobicContact CB-CH2 4.14Å; L398-W534 HydrophobicContact CD1-CD2 4.41Å; L398-W534 HydrophobicContact CD1-CE3 3.97Å; L398-W534 HydrophobicContact CD1-CH2 3.59Å; L398-W534 HydrophobicContact CD1-CZ2 4.05Å; L398-W534 HydrophobicContact CD1-CZ3 3.53Å; L398-W534 HydrophobicContact CG-CH2 3.6Å; L398-W534 HydrophobicContact CG-CZ2 4.43Å; L398-W534 HydrophobicContact CG-CZ3 3.66Å; L398-I535 HydrophobicContact CD1-CG1 4.5Å; L398-K538 HydrophobicContact CD1-CB 3.77Å; L398-K538 HydrophobicContact CD1-CG 4.29Å; L398-T539 HydrophobicContact CD1-CG2 4.01Å; L398-T539 HydrophobicContact CD2-CG2 4.16Å
399	L	98.6	Very high	94.7	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	126.2	175.9	-57.8	-179.4	0	0	0	108.5	L314 V338 T340 L345 V357 V376 E379	L314-L399 HydrophobicContact CD2-CD1 4.32Å; L314-L399 HydrophobicContact CG-CD1 4.43Å; V338-L399 HydrophobicContact CB-CB 4.3Å; V338-L399 PolarHBondContact N-O 3.41Å; V338-L399 PolarHBondContact O-N 2.84Å; T340-L399 HydrophobicContact CG2-CD1 4.15Å; T340-L399 HydrophobicContact CG2-CG 4.28Å; L345-L399 HydrophobicContact CD1-CD2 3.73Å; L345-L399 HydrophobicContact CD2-CD1 4.38Å; L345-L399 HydrophobicContact CD2-CD2 3.99Å; V357-L399 HydrophobicContact CG2-CD1 4.03Å; V376-L399 HydrophobicContact CG1-CB 4.33Å; V376-L399 HydrophobicContact CG1-CD2 3.98Å; V376-L399 HydrophobicContact CG2-CD1 4.3Å; E379-L399 HydrophobicContact CB-CD2 4.24Å; E379-L399 HydrophobicContact CG-CD2 3.81Å
400	K	98.4	Very high	95	Very high	69 Å²	69	39.1 Å²	39.1	30%	0.3	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	123.8	170.4	-168.2	180	172.5	-173.7	0	108.9	F336 W337 A377 E378	F336-K400 CarbonylContact O-C 3.59Å; F336-K400 WeakPolarHBondContact O-CA 3.28Å; W337-K400 HydrophobicContact CD2-CB 4.46Å; W337-K400 HydrophobicContact CD2-CG 4.45Å; W337-K400 HydrophobicContact CE3-CB 4.01Å; W337-K400 HydrophobicContact CE3-CG 4.48Å; W337-K400 HydrophobicContact CH2-CB 3.85Å; W337-K400 HydrophobicContact CH2-CD 3.97Å; W337-K400 HydrophobicContact CH2-CG 4.08Å; W337-K400 HydrophobicContact CZ2-CB 4.29Å; W337-K400 HydrophobicContact CZ2-CD 3.89Å; W337-K400 HydrophobicContact CZ2-CG 4.01Å; W337-K400 HydrophobicContact CZ3-CB 3.7Å; W337-K400 HydrophobicContact CZ3-CG 4.31Å; A377-K400 PolarHBondContact N-O 2.89Å; E378-K400 HydrophobicContact CB-CB 3.97Å; E378-K400 HydrophobicContact CB-CD 4.48Å; E378-K400 HydrophobicContact CG-CD 4.26Å; E378-K400 PolarHBondContact N-O 2.93Å; E378-K400 PolarHBondContact O-N 3.11Å; E378-K400 WeakPolarHBondContact OE1-CD 3.38Å; E378-K400 IonicContact OE1-NZ 3.94Å; E378-K400 PolarHBondContact OE1-NZ 3.27Å
401	L	98.4	Very high	95.3	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.016	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	144.2	-179.9	-53.4	-177	0	0	0	110.6	F336 V338 V357 H374 T403 V405	F336-L401 PolarHBondContact O-N 3.1Å; V338-L401 HydrophobicContact CG2-CD1 4.21Å; V338-L401 HydrophobicContact CG2-CD2 4.17Å; V338-L401 HydrophobicContact CG2-CG 4.41Å; V357-L401 HydrophobicContact CB-CD2 3.81Å; V357-L401 HydrophobicContact CG1-CD2 3.86Å; V357-L401 HydrophobicContact CG2-CD2 3.81Å; H374-L401 HydrophobicContact CB-CB 4.32Å; H374-L401 HydrophobicContact CB-CD1 4.1Å; H374-L401 HydrophobicContact CB-CD2 4.1Å; H374-L401 HydrophobicContact CB-CG 4.4Å; L401-T403 VanDerWaalsContact C-N 3.32Å; L401-T403 WeakPolarHBondContact CB-O 3.21Å; L401-V405 HydrophobicContact CD1-CG2 3.55Å
402	A	98.1	Very high	95.8	Very high	52 Å²	52	33.8 Å²	33.8	43%	0.43	18%	0.181	S	C	.	.	S	Bend	trans	-70	-31.1	176.7	0	0	0	0	0	112.7	E375 A377	E375-A402 HydrophobicContact CB-CB 4.11Å; E375-A402 PolarHBondContact O-N 3.39Å; A377-A402 HydrophobicContact CB-CB 4.09Å
403	T	97.9	Very high	96.2	Very high	70 Å²	70	32.2 Å²	32.2	43%	0.429	18%	0.175	S	C	.	.	S	Bend	trans	-127.2	145.4	179.3	53.8	0	0	0	0	110.3	H374 L401	H374-T403 PolarHBondContact ND1-O 3.24Å; H374-T403 PolarHBondContact ND1-OG1 2.85Å; L401-T403 VanDerWaalsContact C-N 3.32Å; L401-T403 WeakPolarHBondContact CB-O 3.21Å
404	P	97.8	Very high	96.4	Very high	65 Å²	65	30.7 Å²	30.7	42%	0.422	17%	0.167	S	C	.	.			trans	-68.2	142.6	178.4	26.1	-31.1	0	0	0	111.4	E335 F336 H374	E335-P404 HydrophobicContact CB-CB 4.21Å; E335-P404 CarbonylContact O-C 3.4Å; E335-P404 WeakPolarHBondContact O-CA 3.47Å; F336-P404 HydrophobicContact CD1-CB 4.41Å; F336-P404 HydrophobicContact CE1-CB 3.79Å; F336-P404 HydrophobicContact CE1-CG 4.16Å; F336-P404 HydrophobicContact CE2-CB 3.89Å; F336-P404 HydrophobicContact CZ-CB 3.5Å; F336-P404 HydrophobicContact CZ-CG 3.88Å; H374-P404 PolarHBondContact CE1-O 2.01Å; H374-P404 VanDerWaalsContact CE1-O 3.29Å
405	V	97.3	Very high	96.4	Very high	1 Å²	1	30 Å²	30	1%	0.006	16%	0.164	C	C	.	.			trans	-73.6	124.6	170.4	174.6	0	0	0	0	109.6	L332 E335 V359 L401 L407 R411	L332-V405 HydrophobicContact CD1-CG2 4.13Å; L332-V405 HydrophobicContact CD2-CG1 4.23Å; E335-V405 PolarHBondContact O-N 3.49Å; V359-V405 HydrophobicContact CG1-CG2 4.28Å; V359-V405 HydrophobicContact CG2-CG1 3.87Å; V359-V405 HydrophobicContact CG2-CG2 4.21Å; L401-V405 HydrophobicContact CD1-CG2 3.55Å; V405-L407 HydrophobicContact CG1-CD2 4.3Å; V405-L407 PolarHBondContact O-N 2.85Å; V405-L407 VanDerWaalsContact O-N 3.15Å; V405-R411 HydrophobicContact CG1-CB 4.17Å
406	E	95.6	Very high	96.2	Very high	122 Å²	122	30.5 Å²	30.5	57%	0.57	17%	0.167	S	C	*	.			trans	-68.8	107	168.1	-63.1	173.6	163.2	0	0	109.8	R372 R411	R372-E406 IonicContact NE-OE2 2.95Å; R372-E406 IonicContact NH2-OE2 3.55Å; E406-R411 PolarHBondContact O-NE 3.25Å; E406-R411 PolarHBondContact O-NH1 3.25Å; E406-R411 VanDerWaalsContact O-NH1 3.08Å; E406-R411 IonicContact OE2-NH1 2.61Å
407	L	94.4	Very high	95.8	Very high	37 Å²	37	30.5 Å²	30.5	19%	0.194	17%	0.167	C	C	.	.			trans	-67.4	138.7	-178.2	-56.6	-179	0	0	0	111.8	F180 L332 E335 V405 R411	F180-L407 HydrophobicContact CB-CB 3.94Å; F180-L407 HydrophobicContact CB-CD1 3.63Å; F180-L407 HydrophobicContact CB-CG 4.41Å; F180-L407 HydrophobicContact CD1-CB 4.14Å; F180-L407 HydrophobicContact CD2-CB 3.74Å; F180-L407 HydrophobicContact CD2-CD1 4.35Å; F180-L407 HydrophobicContact CE2-CB 4.26Å; F180-L407 HydrophobicContact CG-CB 3.67Å; F180-L407 HydrophobicContact CG-CD1 4.23Å; L332-L407 HydrophobicContact CD2-CD2 4.35Å; E335-L407 HydrophobicContact CG-CD1 3.83Å; E335-L407 HydrophobicContact CG-CD2 4.03Å; E335-L407 HydrophobicContact CG-CG 3.83Å; V405-L407 HydrophobicContact CG1-CD2 4.3Å; V405-L407 PolarHBondContact O-N 2.85Å; V405-L407 VanDerWaalsContact O-N 3.15Å; L407-R411 WeakPolarHBondContact CA-O 3.38Å
408	S	92.8	Very high	95	Very high	17 Å²	17	32 Å²	32	12%	0.119	18%	0.177	C	C	.	.			trans	-146.4	-167.7	176.7	72.7	0	0	0	0	111.1	E410 R411 R412	S408-E410 WeakPolarHBondContact CB-OE2 3.45Å; S408-E410 PolarHBondContact O-N 3.19Å; S408-E410 PolarHBondContact OG-N 3.05Å; S408-E410 PolarHBondContact OG-OE2 2.89Å; S408-R411 PolarHBondContact N-O 3.37Å; S408-R411 PolarHBondContact OG-NE 3.26Å; S408-R411 PolarHBondContact OG-NH2 3.14Å; S408-R411 VanDerWaalsContact OG-NH2 3.11Å; S408-R412 WeakPolarHBondContact O-CG 3.35Å; S408-R412 PolarHBondContact O-NE 2.83Å; S408-R412 VanDerWaalsContact O-NE 3.13Å
409	N	90.6	Very high	94.1	Very high	76 Å²	76	34.3 Å²	34.3	41%	0.406	19%	0.192	S	C	.	.	S	Bend	trans	-69.4	-25.2	174.5	-71.5	-21.3	0	0	0	112.3	P309 R412	P309-N409 VanDerWaalsContact CB-O 3.32Å; P309-N409 WeakPolarHBondContact CB-O 3.21Å; N409-R412 PolarHBondContact OD1-NH2 2.87Å
410	E	92.9	Very high	93.1	Very high	71 Å²	71	38.6 Å²	38.6	33%	0.332	22%	0.218	S	C	.	.	S	Bend	trans	-97.4	-8.3	-176.9	-50.8	71.2	-153.4	0	0	112.4	P309 S408	P309-E410 WeakPolarHBondContact CA-O 3.45Å; P309-E410 VanDerWaalsContact CB-C 3.49Å; S408-E410 WeakPolarHBondContact CB-OE2 3.45Å; S408-E410 PolarHBondContact O-N 3.19Å; S408-E410 PolarHBondContact OG-N 3.05Å; S408-E410 PolarHBondContact OG-OE2 2.89Å
411	R	94.6	Very high	92.1	Very high	18 Å²	18	35.6 Å²	35.6	7%	0.068	21%	0.205	C	C	.	.	S	Bend	trans	-137.6	92.2	-175.8	-67.6	167.3	-70.4	164.3	-1.2	109.2	P309 V359 S370 V405 E406 L407 S408	P309-R411 WeakPolarHBondContact O-CA 3.38Å; V359-R411 HydrophobicContact CB-CG 4.24Å; V359-R411 HydrophobicContact CG2-CG 3.95Å; S370-R411 WeakPolarHBondContact O-CD 3.41Å; S370-R411 PolarHBondContact O-NE 2.97Å; V405-R411 HydrophobicContact CG1-CB 4.17Å; E406-R411 PolarHBondContact O-NE 3.25Å; E406-R411 PolarHBondContact O-NH1 3.25Å; E406-R411 VanDerWaalsContact O-NH1 3.08Å; E406-R411 IonicContact OE2-NH1 2.61Å; L407-R411 WeakPolarHBondContact CA-O 3.38Å; S408-R411 PolarHBondContact N-O 3.37Å; S408-R411 PolarHBondContact OG-NE 3.26Å; S408-R411 PolarHBondContact OG-NH2 3.14Å; S408-R411 VanDerWaalsContact OG-NH2 3.11Å
412	R	94.4	Very high	91.2	Very high	14 Å²	14	35.5 Å²	35.5	5%	0.053	20%	0.204	C	C	.	.			trans	-137.9	145.6	-177.1	-60.3	-177.1	170.8	-134.3	-3.2	110.7	P179 F180 I184 P309 W310 S408 N409	P179-R412 VanDerWaalsContact O-CZ 3.28Å; P179-R412 PolarHBondContact O-NH1 3.27Å; P179-R412 PolarHBondContact O-NH2 2.89Å; F180-R412 HydrophobicContact CD1-CG 4.45Å; I184-R412 WeakPolarHBondContact O-CD 3.36Å; P309-R412 CarbonylContact C-O 3.59Å; P309-R412 HydrophobicContact CB-CB 3.92Å; P309-R412 HydrophobicContact CB-CG 4.03Å; P309-R412 HydrophobicContact CG-CB 3.85Å; P309-R412 HydrophobicContact CG-CG 4.14Å; P309-R412 PolarHBondContact O-N 3.49Å; W310-R412 WeakPolarHBondContact CA-O 3.19Å; W310-R412 VanDerWaalsContact CB-O 3.24Å; W310-R412 WeakPolarHBondContact CB-O 3.2Å; W310-R412 PolarHBondContact N-O 3.37Å; S408-R412 WeakPolarHBondContact O-CG 3.35Å; S408-R412 PolarHBondContact O-NE 2.83Å; S408-R412 VanDerWaalsContact O-NE 3.13Å; N409-R412 PolarHBondContact OD1-NH2 2.87Å
413	P	96.7	Very high	90.2	Very high	12 Å²	12	35.9 Å²	35.9	8%	0.078	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-72.5	153.1	177	28.2	-31.7	0	0	0	112.1	C182 G183 L332 L333	C182-P413 CarbonylContact C-O 3.55Å; C182-P413 WeakPolarHBondContact CA-O 3.32Å; C182-P413 HydrophobicContact CB-CB 4.34Å; C182-P413 HydrophobicContact CB-CG 4.15Å; G183-P413 PolarHBondContact N-O 2.77Å; L332-P413 CarbonylContact O-C 3.52Å; L332-P413 WeakPolarHBondContact O-CA 3.38Å; L333-P413 VanDerWaalsContact C-CB 3.49Å; L333-P413 VanDerWaalsContact O-CB 3.3Å; L333-P413 WeakPolarHBondContact O-CB 3.32Å
414	I	97.3	Very high	89	Confident	3 Å²	3	34.8 Å²	34.8	2%	0.015	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-93.4	146.8	167.9	-169.9	164.2	0	0	0	110.6	W310 L332 L333 A497 L506	W310-I414 HydrophobicContact CB-CB 3.76Å; W310-I414 HydrophobicContact CB-CG2 4.21Å; W310-I414 HydrophobicContact CD2-CB 3.91Å; W310-I414 HydrophobicContact CD2-CD1 4Å; W310-I414 HydrophobicContact CD2-CG1 4.18Å; W310-I414 HydrophobicContact CE3-CB 4.25Å; W310-I414 HydrophobicContact CE3-CG1 4.48Å; W310-I414 HydrophobicContact CG-CB 3.68Å; W310-I414 HydrophobicContact CG-CD1 4.13Å; W310-I414 HydrophobicContact CG-CG1 4.33Å; W310-I414 HydrophobicContact CG-CG2 4.35Å; W310-I414 HydrophobicContact CZ2-CD1 4.36Å; L332-I414 PolarHBondContact O-N 3.37Å; L333-I414 HydrophobicContact CD2-CG2 4.11Å; I414-A497 HydrophobicContact CD1-CB 3.5Å; I414-L506 HydrophobicContact CD1-CB 3.8Å; I414-L506 HydrophobicContact CD1-CD1 4.14Å; I414-L506 HydrophobicContact CG1-CB 4.02Å; I414-L506 HydrophobicContact CG2-CB 3.85Å; I414-L506 HydrophobicContact CG2-CD1 4.46Å; I414-L506 HydrophobicContact CG2-CD2 4.32Å; I414-L506 HydrophobicContact CG2-CG 4.43Å
415	C	95.8	Very high	87.8	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.007	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-74.9	146.8	178.1	-62.2	0	0	0	0	111.9	A162 C182 T503 W504 F505 L506	A162-C415 HydrophobicContact CB-CB 4.19Å; C182-C415 HydrophobicContact CB-CB 4.03Å; C182-C415 WeakPolarHBondContact CB-SG 3.45Å; C182-C415 PolarHBondContact O-SG 3Å; C182-C415 WeakPolarHBondContact SG-CA 3.35Å; C182-C415 WeakPolarHBondContact SG-CB 3.35Å; C182-C415 CovalentContact SG-SG 2.04Å; C182-C415 PolarHBondContact SG-SG 3.32Å; C415-T503 HydrophobicContact CB-CG2 4.48Å; C415-T503 VanDerWaalsContact SG-CG2 3.56Å; C415-W504 WeakPolarHBondContact CB-O 3.36Å; C415-W504 PolarHBondContact N-O 3.49Å; C415-F505 HydrophobicContact CB-CD1 3.44Å; C415-F505 VanDerWaalsContact CB-CD1 3.44Å; C415-F505 HydrophobicContact CB-CE1 3.55Å; C415-F505 HydrophobicContact CB-CG 4.06Å; C415-F505 HydrophobicContact CB-CZ 4.24Å; C415-F505 CarbonylContact O-C 3.59Å; C415-F505 WeakPolarHBondContact O-CA 3.46Å; C415-L506 PolarHBondContact O-N 3.37Å
416	V	94.4	Very high	86.7	Confident	9 Å²	9	32.8 Å²	32.8	6%	0.055	17%	0.174	C	C	.	.			trans	-119.9	145.3	169.7	-72.9	0	0	0	0	109.5	L333 L506 V528 Y532 I541	L333-V416 HydrophobicContact CD2-CG1 3.65Å; V416-L506 HydrophobicContact CG1-CB 4.22Å; V416-L506 HydrophobicContact CG1-CD2 4.38Å; V416-V528 HydrophobicContact CG1-CG1 4.36Å; V416-Y532 HydrophobicContact CB-CD2 4.38Å; V416-Y532 HydrophobicContact CB-CE2 4.22Å; V416-Y532 HydrophobicContact CG2-CE2 4.04Å; V416-I541 HydrophobicContact CG2-CG2 4.47Å
417	G	88.6	Confident	85.6	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.01	18%	0.18	C	C	.	.			trans	-136.8	163.7	-173.1	0	0	0	0	0	114.2	Y532	G417-Y532 VanDerWaalsContact C-CD2 3.42Å; G417-Y532 WeakPolarHBondContact O-CD2 3.44Å
418	S	82.9	Confident	84.3	Confident	30 Å²	30	38.2 Å²	38.2	21%	0.21	20%	0.195	C	C	.	.			trans	-66.5	159.8	180	70.5	0	0	0	0	112.6	V420 M422	S418-V420 VanDerWaalsContact C-N 3.33Å; S418-V420 PolarHBondContact O-N 3.32Å; S418-M422 WeakPolarHBondContact O-CB 3.49Å; S418-M422 WeakPolarHBondContact O-CG 3.2Å; S418-M422 PolarHBondContact O-N 2.92Å
419	T	78.1	Confident	82.8	Confident	50 Å²	50	38.7 Å²	38.7	31%	0.307	20%	0.199	S	C	.	.	H	α-helix	trans	-54.6	-46	-179.8	44.9	0	0	0	0	113.4	Q423 S529	T419-Q423 WeakPolarHBondContact O-CB 3.4Å; T419-Q423 VanDerWaalsContact O-CG 3.31Å; T419-Q423 WeakPolarHBondContact O-CG 3.18Å; T419-Q423 PolarHBondContact O-N 3.2Å; T419-Q423 VanDerWaalsContact O-N 3.08Å; T419-S529 WeakPolarHBondContact CG2-O 3.12Å
420	V	77.5	Confident	81.5	Confident	90 Å²	90	38 Å²	38	55%	0.545	21%	0.21	S	C	.	.	H	α-helix	trans	-63.4	-53.8	-174.5	-179.2	0	0	0	0	110.1	S418 M422 Q423 D424	S418-V420 VanDerWaalsContact C-N 3.33Å; S418-V420 PolarHBondContact O-N 3.32Å; V420-M422 PolarHBondContact O-N 3.11Å; V420-Q423 PolarHBondContact O-N 3.47Å; V420-D424 PolarHBondContact O-N 3.49Å
421	F	79.1	Confident	80.7	Confident	6 Å²	6	39.8 Å²	39.8	3%	0.026	22%	0.221	C	C	.	.	H	α-helix	trans	-60.7	-46.5	179.3	171.2	-104.3	0	0	0	112.4	H148 F149 Q423 D424 L425 Y500 F505	H148-F421 WeakPolarHBondContact O-CD2 3.18Å; H148-F421 WeakPolarHBondContact O-CE2 3.26Å; F149-F421 HydrophobicContact CD1-CB 3.79Å; F149-F421 AromaticContact CD1-CD1 3.53Å; F149-F421 HydrophobicContact CD1-CD1 3.53Å; F149-F421 HydrophobicContact CD1-CD2 4.2Å; F149-F421 HydrophobicContact CD1-CE1 4.12Å; F149-F421 AromaticContact CD1-CG 3.56Å; F149-F421 HydrophobicContact CD1-CG 3.56Å; F149-F421 HydrophobicContact CE1-CB 4.44Å; F149-F421 AromaticContact CE1-CD1 3.47Å; F149-F421 HydrophobicContact CE1-CD1 3.47Å; F149-F421 VanDerWaalsContact CE1-CD1 3.47Å; F149-F421 AromaticContact CE1-CE1 3.86Å; F149-F421 HydrophobicContact CE1-CE1 3.86Å; F149-F421 HydrophobicContact CE1-CG 4.02Å; F421-Q423 VanDerWaalsContact C-N 3.31Å; F421-Q423 PolarHBondContact O-N 3.22Å; F421-D424 PolarHBondContact O-N 3.46Å; F421-L425 HydrophobicContact CE1-CD2 4.19Å; F421-L425 WeakPolarHBondContact O-CB 3.24Å; F421-L425 PolarHBondContact O-N 3Å; F421-Y500 AromaticContact CE2-CD1 3.94Å; F421-Y500 HydrophobicContact CE2-CD1 3.94Å; F421-Y500 AromaticContact CE2-CE1 3.69Å; F421-Y500 HydrophobicContact CE2-CE1 3.69Å; F421-Y500 AromaticContact CZ-CD1 3.61Å; F421-Y500 HydrophobicContact CZ-CD1 3.61Å; F421-Y500 AromaticContact CZ-CE1 3.88Å; F421-Y500 HydrophobicContact CZ-CE1 3.88Å; F421-Y500 HydrophobicContact CZ-CG 4.2Å; F421-F505 HydrophobicContact CE1-CD1 4.15Å; F421-F505 HydrophobicContact CE1-CD2 4.32Å; F421-F505 AromaticContact CE1-CE1 3.97Å; F421-F505 HydrophobicContact CE1-CE1 3.97Å; F421-F505 HydrophobicContact CE1-CE2 4.15Å; F421-F505 HydrophobicContact CE1-CG 4.33Å; F421-F505 AromaticContact CE1-CZ 3.97Å; F421-F505 HydrophobicContact CE1-CZ 3.97Å; F421-F505 HydrophobicContact CZ-CE2 4.21Å; F421-F505 HydrophobicContact CZ-CZ 4.23Å
422	M	79.1	Confident	80.4	Confident	1 Å²	1	39 Å²	39	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-69.1	-29.3	-174.6	-65.4	-65.8	-79.4	0	0	112.6	S418 V420 L425 M426 F505 L506 T507	S418-M422 WeakPolarHBondContact O-CB 3.49Å; S418-M422 WeakPolarHBondContact O-CG 3.2Å; S418-M422 PolarHBondContact O-N 2.92Å; V420-M422 PolarHBondContact O-N 3.11Å; M422-L425 HydrophobicContact CE-CD2 4.39Å; M422-L425 HydrophobicContact SD-CD2 3.84Å; M422-M426 WeakPolarHBondContact O-CB 3.35Å; M422-M426 WeakPolarHBondContact O-CG 3.03Å; M422-M426 PolarHBondContact O-N 2.98Å; M422-F505 HydrophobicContact CE-CB 3.74Å; M422-F505 HydrophobicContact SD-CB 3.9Å; M422-F505 HydrophobicContact SD-CD1 4.17Å; M422-F505 HydrophobicContact SD-CG 4.21Å; M422-L506 WeakPolarHBondContact CE-O 3.22Å; M422-T507 HydrophobicContact CE-CG2 3.37Å
423	Q	76.2	Confident	80.2	Confident	59 Å²	59	39.7 Å²	39.7	28%	0.276	22%	0.222	S	C	.	.	H	α-helix	trans	-70.1	-39.2	174.7	-79.2	176.4	14.8	0	0	112.5	T419 V420 F421 K427	T419-Q423 WeakPolarHBondContact O-CB 3.4Å; T419-Q423 VanDerWaalsContact O-CG 3.31Å; T419-Q423 WeakPolarHBondContact O-CG 3.18Å; T419-Q423 PolarHBondContact O-N 3.2Å; T419-Q423 VanDerWaalsContact O-N 3.08Å; V420-Q423 PolarHBondContact O-N 3.47Å; F421-Q423 VanDerWaalsContact C-N 3.31Å; F421-Q423 PolarHBondContact O-N 3.22Å; Q423-K427 WeakPolarHBondContact O-CG 3.38Å; Q423-K427 PolarHBondContact O-N 3.41Å
424	D	72.4	Confident	80	Confident	48 Å²	48	39.3 Å²	39.3	26%	0.257	22%	0.22	S	C	.	.	H	α-helix	trans	-70.5	-40.5	176	-66.3	-23.7	0	0	0	110	V420 F421 M426 K427 E428	V420-D424 PolarHBondContact O-N 3.49Å; F421-D424 PolarHBondContact O-N 3.46Å; D424-M426 PolarHBondContact O-N 3.45Å; D424-K427 PolarHBondContact O-N 3.2Å; D424-K427 VanDerWaalsContact O-N 3.1Å; D424-E428 WeakPolarHBondContact O-CB 3.43Å; D424-E428 WeakPolarHBondContact O-CG 3.49Å; D424-E428 PolarHBondContact O-N 3.12Å
425	L	73.5	Confident	79.8	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-54.4	-48.9	172.2	173.5	59.5	0	0	0	112.9	F421 M422 K427 E428 S429 T498 Y500 F505 T507	F421-L425 HydrophobicContact CE1-CD2 4.19Å; F421-L425 WeakPolarHBondContact O-CB 3.24Å; F421-L425 PolarHBondContact O-N 3Å; M422-L425 HydrophobicContact CE-CD2 4.39Å; M422-L425 HydrophobicContact SD-CD2 3.84Å; L425-K427 PolarHBondContact O-N 3.42Å; L425-E428 PolarHBondContact O-N 2.63Å; L425-S429 WeakPolarHBondContact O-CB 3.22Å; L425-S429 PolarHBondContact O-N 2.65Å; L425-T498 HydrophobicContact CD1-CG2 4.07Å; L425-T498 HydrophobicContact CD2-CG2 4.3Å; L425-T498 HydrophobicContact CG-CG2 4.03Å; L425-Y500 VanDerWaalsContact CD1-CB 3.42Å; L425-Y500 HydrophobicContact CD1-CD2 3.18Å; L425-Y500 HydrophobicContact CD1-CE2 4.06Å; L425-Y500 HydrophobicContact CD1-CG 3.52Å; L425-F505 HydrophobicContact CD2-CB 4.1Å; L425-F505 HydrophobicContact CD2-CD2 4.31Å; L425-F505 HydrophobicContact CD2-CG 4.38Å; L425-T507 HydrophobicContact CD2-CG2 4.32Å
426	M	73.6	Confident	79.7	Confident	22 Å²	22	39.4 Å²	39.4	11%	0.108	22%	0.221	C	C	.	.	H	α-helix	trans	-67.1	-17.9	-178.5	-73	170.4	75.4	0	0	113.1	M422 D424 V457 F476 T507	M422-M426 WeakPolarHBondContact O-CB 3.35Å; M422-M426 WeakPolarHBondContact O-CG 3.03Å; M422-M426 PolarHBondContact O-N 2.98Å; D424-M426 PolarHBondContact O-N 3.45Å; M426-V457 HydrophobicContact CB-CG2 4.28Å; M426-V457 HydrophobicContact CE-CB 4.47Å; M426-V457 HydrophobicContact CE-CG1 4Å; M426-V457 HydrophobicContact CE-CG2 3.59Å; M426-V457 HydrophobicContact CG-CG2 4.29Å; M426-F476 HydrophobicContact CE-CD1 3.97Å; M426-F476 HydrophobicContact CE-CD2 3.66Å; M426-F476 HydrophobicContact CE-CE1 3.98Å; M426-F476 HydrophobicContact CE-CE2 3.69Å; M426-F476 HydrophobicContact CE-CG 3.8Å; M426-F476 HydrophobicContact CE-CZ 3.84Å; M426-T507 HydrophobicContact CG-CG2 3.81Å; M426-T507 HydrophobicContact SD-CG2 4.19Å
427	K	72.1	Confident	79.5	Confident	163 Å²	163	39.3 Å²	39.3	71%	0.709	22%	0.22	S	C	*	.	H	α-helix	trans	-90.4	-35.5	173.7	-67.7	169.8	-173.1	166.9	0	112.5	Q423 D424 L425	Q423-K427 WeakPolarHBondContact O-CG 3.38Å; Q423-K427 PolarHBondContact O-N 3.41Å; D424-K427 PolarHBondContact O-N 3.2Å; D424-K427 VanDerWaalsContact O-N 3.1Å; L425-K427 PolarHBondContact O-N 3.42Å
428	E	67.4	Low	79.1	Confident	109 Å²	109	39.3 Å²	39.3	51%	0.509	22%	0.219	S	C	.	.	H	α-helix	trans	-85	-35.3	-176.3	-71.5	-177.6	177.1	0	0	113.1	D424 L425	D424-E428 WeakPolarHBondContact O-CB 3.43Å; D424-E428 WeakPolarHBondContact O-CG 3.49Å; D424-E428 PolarHBondContact O-N 3.12Å; L425-E428 PolarHBondContact O-N 2.63Å
429	S	61.9	Low	78.6	Confident	28 Å²	28	40.9 Å²	40.9	20%	0.196	22%	0.221	C	C	.	.			trans	-95.6	123	-174.6	-172.6	0	0	0	0	111.9	L425 T498 N499	L425-S429 WeakPolarHBondContact O-CB 3.22Å; L425-S429 PolarHBondContact O-N 2.65Å; S429-T498 WeakPolarHBondContact OG-CG2 3.35Å; S429-N499 PolarHBondContact OG-O 2.93Å
430	G	63.7	Low	77.8	Confident	61 Å²	61	39.5 Å²	39.5	63%	0.629	21%	0.212	S	C	*	.			trans	-89.3	-4	179.3	0	0	0	0	0	115.2
431	I	75	Confident	76.9	Confident	109 Å²	109	40 Å²	40	56%	0.559	21%	0.211	S	C	*	.			trans	-116.3	99.3	-174.2	-51.4	175.2	0	0	0	109.6	N499	I431-N499 PolarHBondContact O-N 2.81Å
432	S	88.4	Confident	75.9	Confident	2 Å²	2	43.5 Å²	43.5	1%	0.014	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	139.1	171.7	-65.3	0	0	0	0	109.6	S454 A455 H496 A497 T498	S432-S454 CarbonylContact O-C 3.55Å; S432-S454 WeakPolarHBondContact O-CA 3.26Å; S432-A455 WeakPolarHBondContact CB-O 3.44Å; S432-A455 PolarHBondContact O-N 2.97Å; S432-H496 VanDerWaalsContact CB-CE1 3.41Å; S432-H496 WeakPolarHBondContact CB-CE1 3.17Å; S432-A497 CarbonylContact C-O 3.52Å; S432-A497 VanDerWaalsContact CA-O 3.29Å; S432-A497 WeakPolarHBondContact CA-O 3.43Å; S432-T498 PolarHBondContact OG-OG1 3.19Å
433	L	90.9	Very high	75.2	Confident	27 Å²	27	51.6 Å²	51.6	14%	0.141	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	137.8	-175	-166.1	79.1	0	0	0	109.7	I308 K452 L453 H496 A497 W504	I308-L433 HydrophobicContact CD1-CD2 3.61Å; I308-L433 HydrophobicContact CG1-CD2 4.16Å; L433-K452 HydrophobicContact CD1-CB 4.01Å; L433-K452 HydrophobicContact CD1-CD 4.25Å; L433-K452 HydrophobicContact CD1-CG 4.21Å; L433-K452 HydrophobicContact CD2-CB 4.22Å; L433-K452 HydrophobicContact CD2-CD 4.39Å; L433-K452 HydrophobicContact CG-CB 4.22Å; L433-L453 WeakPolarHBondContact CA-O 3.46Å; L433-H496 WeakPolarHBondContact O-CA 3.04Å; L433-A497 PolarHBondContact N-O 2.94Å; L433-A497 PolarHBondContact O-N 3.41Å; L433-W504 HydrophobicContact CB-CH2 3.98Å; L433-W504 HydrophobicContact CB-CZ3 3.76Å; L433-W504 HydrophobicContact CD2-CH2 4.37Å
434	V	92.4	Very high	74.6	Confident	5 Å²	5	49.8 Å²	49.8	3%	0.03	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	143.5	170.8	176.8	0	0	0	0	108.4	K452 L453 A455 P495 H496 V510 Y525	V434-K452 CarbonylContact O-C 3.45Å; V434-K452 VanDerWaalsContact O-CA 3.25Å; V434-K452 WeakPolarHBondContact O-CA 3.48Å; V434-L453 PolarHBondContact N-O 3.37Å; V434-L453 PolarHBondContact O-N 3.07Å; V434-A455 HydrophobicContact CB-CB 4.41Å; V434-A455 HydrophobicContact CG2-CB 3.65Å; V434-P495 WeakPolarHBondContact CA-O 3.01Å; V434-H496 HydrophobicContact CG2-CB 3.93Å; V434-V510 HydrophobicContact CG1-CG2 3.74Å; V434-Y525 HydrophobicContact CG1-CE1 4.32Å; V434-Y525 HydrophobicContact CG2-CE1 3.66Å
435	S	93.3	Very high	74.7	Confident	4 Å²	4	58 Å²	58	3%	0.028	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	149.8	-178.8	52.1	0	0	0	0	113.7	Q311 Q451 P495	Q311-S435 PolarHBondContact NE2-O 3.27Å; Q311-S435 PolarHBondContact OE1-O 3.17Å; Q311-S435 PolarHBondContact OE1-OG 2.87Å; S435-Q451 VanDerWaalsContact CA-O 3.23Å; S435-Q451 WeakPolarHBondContact CA-O 3.33Å; S435-Q451 VanDerWaalsContact CB-O 3.29Å; S435-Q451 WeakPolarHBondContact CB-O 3.39Å; S435-P495 WeakPolarHBondContact OG-CG 3.45Å
436	G	92.5	Very high	75	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.01	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.9	-173.5	179.6	0	0	0	0	0	113.4	Q451 D491	G436-Q451 PolarHBondContact N-O 3.21Å; G436-Q451 VanDerWaalsContact N-O 3.17Å; G436-Q451 PolarHBondContact O-N 2.79Å; G436-D491 WeakPolarHBondContact CA-OD1 3.44Å
437	W	90.8	Very high	75.6	Confident	8 Å²	8	61.1 Å²	61.1	3%	0.03	31%	0.305	C	S	.	.	S	Bend	trans	-107.7	20.9	178.8	-64	-90.8	0	0	0	111.8	Q311 P326 E361 H362 V364 A447 L450 D491	Q311-W437 HydrophobicContact CG-CH2 3.5Å; Q311-W437 VanDerWaalsContact CG-CH2 3.5Å; Q311-W437 HydrophobicContact CG-CZ2 4.46Å; Q311-W437 HydrophobicContact CG-CZ3 3.58Å; P326-W437 HydrophobicContact CB-CE3 4.3Å; P326-W437 HydrophobicContact CG-CB 3.89Å; P326-W437 HydrophobicContact CG-CD2 4.24Å; P326-W437 HydrophobicContact CG-CE3 4.33Å; P326-W437 HydrophobicContact CG-CG 4.07Å; E361-W437 HydrophobicContact CB-CH2 4.06Å; E361-W437 HydrophobicContact CB-CZ2 3.86Å; E361-W437 HydrophobicContact CG-CH2 4.06Å; E361-W437 HydrophobicContact CG-CZ2 3.52Å; E361-W437 WeakPolarHBondContact O-CZ2 3.25Å; H362-W437 PolarHBondContact O-NE1 3.36Å; V364-W437 HydrophobicContact CG1-CG 4.2Å; W437-A447 PolarHBondContact O-N 2.91Å; W437-A447 VanDerWaalsContact O-N 3.09Å; W437-L450 HydrophobicContact CD2-CD1 4.09Å; W437-L450 HydrophobicContact CE3-CD1 4.27Å; W437-L450 HydrophobicContact CH2-CD1 4.04Å; W437-L450 HydrophobicContact CZ2-CB 3.96Å; W437-L450 HydrophobicContact CZ2-CD1 3.82Å; W437-L450 HydrophobicContact CZ2-CD2 4.45Å; W437-L450 HydrophobicContact CZ2-CG 4.29Å; W437-L450 HydrophobicContact CZ3-CD1 4.27Å; W437-D491 PolarHBondContact N-OD1 3.01Å
438	G	80.9	Confident	76.4	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.294	C	S	.	.			trans	-62.2	172.8	177.5	0	0	0	0	0	113.3	T440 A447 Q489 D491	G438-T440 PolarHBondContact O-N 2.86Å; G438-A447 PolarHBondContact O-N 2.88Å; G438-Q489 CarbonylContact C-O 3.49Å; G438-Q489 WeakPolarHBondContact CA-O 3.35Å; G438-D491 VanDerWaalsContact CA-OD1 3.24Å; G438-D491 WeakPolarHBondContact CA-OD1 3.01Å; G438-D491 PolarHBondContact N-OD1 2.96Å
439	R	72.5	Confident	77.6	Confident	64 Å²	64	55.6 Å²	55.6	24%	0.242	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-63.4	137.7	-176.9	-65.9	177.1	179.8	159.3	10.8	111.4	G444 R445 E446 C488 Q489	R439-G444 WeakPolarHBondContact CD-O 3.3Å; R439-G444 WeakPolarHBondContact CG-O 3.28Å; R439-G444 PolarHBondContact NE-O 2.68Å; R439-R445 WeakPolarHBondContact CA-O 3.41Å; R439-E446 HydrophobicContact CG-CG 4.17Å; R439-C488 HydrophobicContact CB-CB 4.28Å; R439-C488 WeakPolarHBondContact O-CB 3.32Å; R439-Q489 PolarHBondContact N-O 2.82Å; R439-Q489 VanDerWaalsContact NH2-OE1 3.14Å
440	T	60.3	Low	79.1	Confident	20 Å²	20	54.6 Å²	54.6	12%	0.123	28%	0.277	C	S	.	.	S	Bend	trans	-84	-15.2	-177.9	55.5	0	0	0	0	113.9	R296 I297 V298 G438 R445 A447 Q451	R296-T440 HydrophobicContact CB-CG2 3.81Å; R296-T440 HydrophobicContact CG-CG2 4.44Å; I297-T440 CarbonylContact C-O 3.58Å; I297-T440 VanDerWaalsContact C-O 3.26Å; I297-T440 WeakPolarHBondContact CA-O 3.31Å; I297-T440 HydrophobicContact CD1-CG2 4.15Å; I297-T440 VanDerWaalsContact N-CA 3.32Å; I297-T440 PolarHBondContact N-O 2.91Å; V298-T440 PolarHBondContact N-O 3.16Å; V298-T440 VanDerWaalsContact N-O 3.08Å; G438-T440 PolarHBondContact O-N 2.86Å; T440-R445 PolarHBondContact N-O 3.31Å; T440-A447 HydrophobicContact CG2-CB 3.71Å; T440-Q451 HydrophobicContact CG2-CG 4.47Å
441	L	59.2	Low	80.4	Confident	101 Å²	101	52.2 Å²	52.2	53%	0.529	25%	0.249	S	C	.	.	S	Bend	trans	-141.7	153.8	-179.6	-66.7	168.7	0	0	0	108.7	K443 G444	L441-K443 PolarHBondContact O-N 2.68Å; L441-G444 WeakPolarHBondContact O-CA 3.18Å; L441-G444 PolarHBondContact O-N 3.48Å
442	D	58	Low	81.1	Confident	79 Å²	79	48.4 Å²	48.4	42%	0.422	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	124.3	172.3	-175	32.2	0	0	0	109.7	G444 C516	D442-G444 PolarHBondContact O-N 2.92Å; D442-G444 VanDerWaalsContact O-N 3.12Å; D442-C516 HydrophobicContact CB-CB 4.32Å
443	K	63	Low	81	Confident	171 Å²	171	48.9 Å²	48.9	74%	0.743	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.5	17.1	-172.4	-52.4	172	-173.4	169.9	0	115.1	L441	L441-K443 PolarHBondContact O-N 2.68Å
444	G	64.9	Low	80.8	Confident	21 Å²	21	50.7 Å²	50.7	22%	0.216	25%	0.245	C	C	.	.			trans	-73.6	-177	175.2	0	0	0	0	0	113.7	R439 L441 D442	R439-G444 WeakPolarHBondContact CD-O 3.3Å; R439-G444 WeakPolarHBondContact CG-O 3.28Å; R439-G444 PolarHBondContact NE-O 2.68Å; L441-G444 WeakPolarHBondContact O-CA 3.18Å; L441-G444 PolarHBondContact O-N 3.48Å; D442-G444 PolarHBondContact O-N 2.92Å; D442-G444 VanDerWaalsContact O-N 3.12Å
445	R	74.3	Confident	80.5	Confident	221 Å²	221	50.5 Å²	50.5	83%	0.834	24%	0.244	S	C	*	.	P	Polyproline II helix	trans	-78.2	153.2	169.5	-67.1	-176.7	177.5	179.2	-0.6	110	R439 T440	R439-R445 WeakPolarHBondContact CA-O 3.41Å; T440-R445 PolarHBondContact N-O 3.31Å
446	E	80.4	Confident	80.3	Confident	80 Å²	80	51.9 Å²	51.9	37%	0.374	25%	0.254	S	S	.	.	B	Isolated β-bridge	trans	-60.8	150.3	169.1	-74.1	163.7	-177.5	0	0	110	R439	R439-E446 HydrophobicContact CG-CG 4.17Å
447	A	85.9	Confident	80.1	Confident	9 Å²	9	54.2 Å²	54.2	7%	0.074	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-74.4	134.1	-179.1	0	0	0	0	0	110.3	W437 G438 T440 K449 Q451	W437-A447 PolarHBondContact O-N 2.91Å; W437-A447 VanDerWaalsContact O-N 3.09Å; G438-A447 PolarHBondContact O-N 2.88Å; T440-A447 HydrophobicContact CG2-CB 3.71Å; A447-K449 VanDerWaalsContact C-N 3.34Å; A447-K449 WeakPolarHBondContact CB-O 3.5Å; A447-Q451 HydrophobicContact CB-CG 3.65Å
448	D	88.8	Confident	79.9	Confident	88 Å²	88	54.8 Å²	54.8	47%	0.471	27%	0.273	S	S	.	.	S	Bend	trans	-70.9	-34.2	173.6	-73.4	-47.5	0	0	0	112	V364 N365	V364-D448 VanDerWaalsContact CG2-O 3.3Å; V364-D448 WeakPolarHBondContact CG2-O 3.34Å; V364-D448 PolarHBondContact N-O 3.37Å; N365-D448 WeakPolarHBondContact ND2-CB 3.46Å; N365-D448 PolarHBondContact ND2-OD1 3.41Å
449	K	92.1	Very high	80.2	Confident	69 Å²	69	59.2 Å²	59.2	30%	0.3	30%	0.297	S	S	.	.	B	Isolated β-bridge	trans	-113.4	151.5	-179	-62.4	-174.5	179.8	179.9	0	111.4	E302 H362 D363 A447 Q451	E302-K449 HydrophobicContact CG-CB 4.28Å; E302-K449 HydrophobicContact CG-CD 4.2Å; E302-K449 WeakPolarHBondContact OE1-CD 3.28Å; E302-K449 IonicContact OE1-NZ 3.56Å; E302-K449 PolarHBondContact OE1-NZ 2.92Å; E302-K449 WeakPolarHBondContact OE2-CD 3.27Å; E302-K449 IonicContact OE2-NZ 2.77Å; E302-K449 PolarHBondContact OE2-NZ 2.89Å; E302-K449 VanDerWaalsContact OE2-NZ 3.1Å; H362-K449 CarbonylContact O-C 3.53Å; H362-K449 VanDerWaalsContact O-CA 3.27Å; H362-K449 WeakPolarHBondContact O-CA 3.49Å; D363-K449 HydrophobicContact CB-CG 4Å; D363-K449 WeakPolarHBondContact OD2-CE 3.34Å; A447-K449 VanDerWaalsContact C-N 3.34Å; A447-K449 WeakPolarHBondContact CB-O 3.5Å; K449-Q451 WeakPolarHBondContact O-CG 3.41Å; K449-Q451 PolarHBondContact O-N 3.25Å; K449-Q451 PolarHBondContact O-NE2 2.78Å
450	L	93.2	Very high	80.9	Confident	7 Å²	7	60.5 Å²	60.5	4%	0.037	31%	0.308	C	S	.	.			trans	-58.1	128	178.1	-177.6	60.7	0	0	0	110.5	A303 I308 Q311 H362 W437	A303-L450 HydrophobicContact CB-CB 4.3Å; A303-L450 HydrophobicContact CB-CD2 4.12Å; A303-L450 HydrophobicContact CB-CG 3.94Å; A303-L450 PolarHBondContact N-O 3.3Å; I308-L450 HydrophobicContact CB-CD2 4.42Å; Q311-L450 HydrophobicContact CB-CD2 4.2Å; Q311-L450 HydrophobicContact CG-CD1 3.75Å; Q311-L450 HydrophobicContact CG-CD2 4.1Å; H362-L450 PolarHBondContact O-N 2.85Å; W437-L450 HydrophobicContact CD2-CD1 4.09Å; W437-L450 HydrophobicContact CE3-CD1 4.27Å; W437-L450 HydrophobicContact CH2-CD1 4.04Å; W437-L450 HydrophobicContact CZ2-CB 3.96Å; W437-L450 HydrophobicContact CZ2-CD1 3.82Å; W437-L450 HydrophobicContact CZ2-CD2 4.45Å; W437-L450 HydrophobicContact CZ2-CG 4.29Å; W437-L450 HydrophobicContact CZ3-CD1 4.27Å
451	Q	91.1	Very high	82.3	Confident	10 Å²	10	62.8 Å²	62.8	5%	0.047	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	159.1	177.4	-53.9	-61.7	-59.2	0	0	110.6	R296 I297 S435 G436 T440 A447 K449	R296-Q451 PolarHBondContact O-OE1 2.77Å; R296-Q451 VanDerWaalsContact O-OE1 3.06Å; I297-Q451 HydrophobicContact CD1-CB 3.68Å; I297-Q451 HydrophobicContact CD1-CG 3.82Å; I297-Q451 HydrophobicContact CG1-CB 3.16Å; I297-Q451 HydrophobicContact CG1-CG 3.57Å; S435-Q451 VanDerWaalsContact CA-O 3.23Å; S435-Q451 WeakPolarHBondContact CA-O 3.33Å; S435-Q451 VanDerWaalsContact CB-O 3.29Å; S435-Q451 WeakPolarHBondContact CB-O 3.39Å; G436-Q451 PolarHBondContact N-O 3.21Å; G436-Q451 VanDerWaalsContact N-O 3.17Å; G436-Q451 PolarHBondContact O-N 2.79Å; T440-Q451 HydrophobicContact CG2-CG 4.47Å; A447-Q451 HydrophobicContact CB-CG 3.65Å; K449-Q451 WeakPolarHBondContact O-CG 3.41Å; K449-Q451 PolarHBondContact O-N 3.25Å; K449-Q451 PolarHBondContact O-NE2 2.78Å
452	K	90.3	Very high	83.7	Confident	30 Å²	30	62.1 Å²	62.1	13%	0.13	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	151.7	173.3	72.3	-174.8	177	-171	0	111.3	G300 N301 A303 E307 I308 L433 V434	G300-K452 WeakPolarHBondContact CA-O 3.44Å; N301-K452 PolarHBondContact N-O 3.38Å; N301-K452 WeakPolarHBondContact ND2-CE 3.26Å; N301-K452 PolarHBondContact O-N 2.03Å; A303-K452 HydrophobicContact CB-CB 4.46Å; A303-K452 HydrophobicContact CB-CD 4.29Å; A303-K452 HydrophobicContact CB-CG 4.48Å; E307-K452 IonicContact OE1-NZ 2.68Å; E307-K452 PolarHBondContact OE1-NZ 2.87Å; E307-K452 IonicContact OE2-NZ 2.71Å; E307-K452 PolarHBondContact OE2-NZ 2.85Å; I308-K452 HydrophobicContact CD1-CB 3.79Å; I308-K452 HydrophobicContact CD1-CD 4.41Å; L433-K452 HydrophobicContact CD1-CB 4.01Å; L433-K452 HydrophobicContact CD1-CD 4.25Å; L433-K452 HydrophobicContact CD1-CG 4.21Å; L433-K452 HydrophobicContact CD2-CB 4.22Å; L433-K452 HydrophobicContact CD2-CD 4.39Å; L433-K452 HydrophobicContact CG-CB 4.22Å; V434-K452 CarbonylContact O-C 3.45Å; V434-K452 VanDerWaalsContact O-CA 3.25Å; V434-K452 WeakPolarHBondContact O-CA 3.48Å
453	L	86.8	Confident	85.1	Confident	11 Å²	11	58.4 Å²	58.4	6%	0.058	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	140.3	179.3	177.2	66.9	0	0	0	110.7	I297 G299 L433 V434 A455	I297-L453 HydrophobicContact CG2-CB 4.23Å; I297-L453 HydrophobicContact CG2-CD2 4.09Å; G299-L453 WeakPolarHBondContact O-CD1 3.36Å; L433-L453 WeakPolarHBondContact CA-O 3.46Å; V434-L453 PolarHBondContact N-O 3.37Å; V434-L453 PolarHBondContact O-N 3.07Å; L453-A455 PolarHBondContact O-N 3.11Å
454	S	86.2	Confident	86.5	Confident	65 Å²	65	55.7 Å²	55.7	46%	0.455	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	118.2	168.7	-172.5	0	0	0	0	109.7	S432	S432-S454 CarbonylContact O-C 3.55Å; S432-S454 WeakPolarHBondContact O-CA 3.26Å
455	A	87.1	Confident	87.7	Confident	1 Å²	1	62.4 Å²	62.4	1%	0.008	32%	0.32	C	S	.	.			trans	-129.4	85.2	-177.8	0	0	0	0	0	109.6	S432 V434 L453 A478 H496	S432-A455 WeakPolarHBondContact CB-O 3.44Å; S432-A455 PolarHBondContact O-N 2.97Å; V434-A455 HydrophobicContact CB-CB 4.41Å; V434-A455 HydrophobicContact CG2-CB 3.65Å; L453-A455 PolarHBondContact O-N 3.11Å; A455-A478 HydrophobicContact CB-CB 4.3Å; A455-H496 PolarHBondContact O-NE2 3.35Å; A455-H496 VanDerWaalsContact O-NE2 3.1Å
456	P	87.3	Confident	88.3	Confident	34 Å²	34	52.8 Å²	52.8	22%	0.221	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-66.7	149.7	177.7	28.7	-34.7	0	0	0	110.9	A458 A478 G479 L480	P456-A458 PolarHBondContact O-N 3.29Å; P456-A478 CarbonylContact O-C 3.58Å; P456-A478 WeakPolarHBondContact O-CA 2.97Å; P456-A478 WeakPolarHBondContact O-CB 3.37Å; P456-G479 PolarHBondContact O-N 3.49Å; P456-L480 HydrophobicContact CG-CD2 3.9Å; P456-L480 HydrophobicContact CG-CG 4.48Å
457	V	88.2	Confident	88.6	Confident	50 Å²	50	49.9 Å²	49.9	30%	0.303	28%	0.275	S	S	.	.	B	Isolated β-bridge	trans	-64	128.8	176.2	179.8	0	0	0	0	109.5	M426 F476	M426-V457 HydrophobicContact CB-CG2 4.28Å; M426-V457 HydrophobicContact CE-CB 4.47Å; M426-V457 HydrophobicContact CE-CG1 4Å; M426-V457 HydrophobicContact CE-CG2 3.59Å; M426-V457 HydrophobicContact CG-CG2 4.29Å; V457-F476 HydrophobicContact CG1-CD2 4.13Å; V457-F476 HydrophobicContact CG2-CD2 4.28Å; V457-F476 HydrophobicContact CG2-CE2 4.08Å
458	A	87.8	Confident	88.6	Confident	19 Å²	19	60.1 Å²	60.1	16%	0.157	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-87.3	155	179.8	0	0	0	0	0	111.8	P456 L460 C477 Y522	P456-A458 PolarHBondContact O-N 3.29Å; A458-L460 PolarHBondContact O-N 3.47Å; A458-C477 HydrophobicContact CB-CB 3.91Å; A458-C477 PolarHBondContact N-O 3.43Å; A458-Y522 HydrophobicContact CB-CD1 3.53Å; A458-Y522 HydrophobicContact CB-CD2 4.48Å; A458-Y522 HydrophobicContact CB-CE1 3.4Å; A458-Y522 VanDerWaalsContact CB-CE1 3.4Å; A458-Y522 HydrophobicContact CB-CE2 4.39Å; A458-Y522 HydrophobicContact CB-CG 4.08Å
459	D	86.9	Confident	88.4	Confident	94 Å²	94	59.7 Å²	59.7	50%	0.503	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-60.4	135.5	173.4	176.5	-95.1	0	0	0	111.3	A461 L462 C463	D459-A461 VanDerWaalsContact C-N 3.33Å; D459-A461 PolarHBondContact O-N 2.87Å; D459-A461 WeakPolarHBondContact OD1-CA 3.46Å; D459-A461 VanDerWaalsContact OD1-CB 3.26Å; D459-A461 WeakPolarHBondContact OD1-CB 3.32Å; D459-A461 PolarHBondContact OD1-N 2.81Å; D459-L462 HydrophobicContact CB-CB 4.31Å; D459-L462 HydrophobicContact CB-CD1 4.12Å; D459-L462 HydrophobicContact CB-CG 4.18Å; D459-L462 PolarHBondContact O-N 3.46Å; D459-L462 PolarHBondContact OD1-N 2.87Å; D459-L462 VanDerWaalsContact OD1-N 3.11Å; D459-C463 WeakPolarHBondContact O-CB 3.29Å; D459-C463 PolarHBondContact O-N 2.8Å
460	L	86.4	Confident	88.3	Confident	90 Å²	90	61.6 Å²	61.6	47%	0.471	33%	0.328	S	S	.	.	H	α-helix	trans	-66	-33.7	-173.8	-176.9	62.1	0	0	0	112.8	A458 K464	A458-L460 PolarHBondContact O-N 3.47Å; L460-K464 HydrophobicContact CD1-CD 4.47Å; L460-K464 HydrophobicContact CD1-CG 4.34Å; L460-K464 HydrophobicContact CG-CD 4.38Å; L460-K464 WeakPolarHBondContact O-CB 3.14Å; L460-K464 WeakPolarHBondContact O-CG 3.44Å; L460-K464 PolarHBondContact O-N 2.86Å
461	A	89.6	Confident	88.2	Confident	68 Å²	68	61.9 Å²	61.9	56%	0.562	33%	0.33	S	S	*	.	H	α-helix	trans	-70.2	-45	179.1	0	0	0	0	0	110.4	D459 K464 Q465	D459-A461 VanDerWaalsContact C-N 3.33Å; D459-A461 PolarHBondContact O-N 2.87Å; D459-A461 WeakPolarHBondContact OD1-CA 3.46Å; D459-A461 VanDerWaalsContact OD1-CB 3.26Å; D459-A461 WeakPolarHBondContact OD1-CB 3.32Å; D459-A461 PolarHBondContact OD1-N 2.81Å; A461-K464 PolarHBondContact O-N 3Å; A461-Q465 WeakPolarHBondContact O-CB 3.25Å; A461-Q465 PolarHBondContact O-N 2.86Å
462	L	88.9	Confident	88.2	Confident	88 Å²	88	63.4 Å²	63.4	46%	0.461	34%	0.34	S	S	.	.	H	α-helix	trans	-62.2	-44.3	174.3	-64.5	-179	0	0	0	111.8	D459 K464 Q465 S466 Y522	D459-L462 HydrophobicContact CB-CB 4.31Å; D459-L462 HydrophobicContact CB-CD1 4.12Å; D459-L462 HydrophobicContact CB-CG 4.18Å; D459-L462 PolarHBondContact O-N 3.46Å; D459-L462 PolarHBondContact OD1-N 2.87Å; D459-L462 VanDerWaalsContact OD1-N 3.11Å; L462-K464 PolarHBondContact O-N 3.22Å; L462-Q465 PolarHBondContact O-N 3.4Å; L462-S466 VanDerWaalsContact O-CB 3.32Å; L462-S466 WeakPolarHBondContact O-CB 3.31Å; L462-S466 PolarHBondContact O-N 3.43Å; L462-Y522 HydrophobicContact CB-CE2 4.47Å
463	C	88.9	Confident	88.3	Confident	1 Å²	1	68.5 Å²	68.5	1%	0.007	36%	0.358	C	S	.	.	H	α-helix	trans	-54.8	-52.3	175.4	169	0	0	0	0	111.5	D459 Q465 S466 S467 I471 C477	D459-C463 WeakPolarHBondContact O-CB 3.29Å; D459-C463 PolarHBondContact O-N 2.8Å; C463-Q465 PolarHBondContact O-N 3.42Å; C463-S466 PolarHBondContact O-N 3.28Å; C463-S466 PolarHBondContact O-OG 2.92Å; C463-S467 PolarHBondContact O-N 3Å; C463-I471 WeakPolarHBondContact O-CD1 3.37Å; C463-I471 WeakPolarHBondContact SG-CD1 3.06Å; C463-C477 HydrophobicContact CB-CB 3.51Å; C463-C477 WeakPolarHBondContact CB-SG 3.01Å; C463-C477 WeakPolarHBondContact SG-CB 3.46Å; C463-C477 CovalentContact SG-SG 2.01Å; C463-C477 PolarHBondContact SG-SG 2.91Å
464	K	91.2	Very high	88.6	Confident	114 Å²	114	69.3 Å²	69.3	50%	0.496	36%	0.362	S	S	.	.	H	α-helix	trans	-63.8	-39.7	178	-75.8	179.9	175.7	-173.6	0	113	L460 A461 L462 S466 S467 I471	L460-K464 HydrophobicContact CD1-CD 4.47Å; L460-K464 HydrophobicContact CD1-CG 4.34Å; L460-K464 HydrophobicContact CG-CD 4.38Å; L460-K464 WeakPolarHBondContact O-CB 3.14Å; L460-K464 WeakPolarHBondContact O-CG 3.44Å; L460-K464 PolarHBondContact O-N 2.86Å; A461-K464 PolarHBondContact O-N 3Å; L462-K464 PolarHBondContact O-N 3.22Å; K464-S466 VanDerWaalsContact C-N 3.27Å; K464-S466 PolarHBondContact O-N 3.27Å; K464-S467 PolarHBondContact O-N 2.99Å; K464-I471 HydrophobicContact CG-CB 4.28Å
465	Q	90.1	Very high	89	Confident	161 Å²	161	66.8 Å²	66.8	75%	0.752	34%	0.343	S	S	*	.	H	α-helix	trans	-67.6	-31.3	177.4	-172.5	177.3	16.3	0	0	112	A461 L462 C463 S467	A461-Q465 WeakPolarHBondContact O-CB 3.25Å; A461-Q465 PolarHBondContact O-N 2.86Å; L462-Q465 PolarHBondContact O-N 3.4Å; C463-Q465 PolarHBondContact O-N 3.42Å; Q465-S467 VanDerWaalsContact C-N 3.33Å; Q465-S467 PolarHBondContact O-N 2.02Å
466	S	86.6	Confident	89.2	Confident	19 Å²	19	67.3 Å²	67.3	13%	0.133	35%	0.345	C	S	.	.	H	α-helix	trans	-72.5	-23.2	-178.6	76.1	0	0	0	0	113.6	L462 C463 K464 G520 K521 Y522	L462-S466 VanDerWaalsContact O-CB 3.32Å; L462-S466 WeakPolarHBondContact O-CB 3.31Å; L462-S466 PolarHBondContact O-N 3.43Å; C463-S466 PolarHBondContact O-N 3.28Å; C463-S466 PolarHBondContact O-OG 2.92Å; K464-S466 VanDerWaalsContact C-N 3.27Å; K464-S466 PolarHBondContact O-N 3.27Å; S466-G520 VanDerWaalsContact CB-O 3.25Å; S466-G520 WeakPolarHBondContact CB-O 3.33Å; S466-K521 VanDerWaalsContact O-CD 3.31Å; S466-K521 WeakPolarHBondContact O-CD 3.28Å; S466-K521 WeakPolarHBondContact O-CE 3.45Å; S466-K521 PolarHBondContact O-NZ 3.25Å; S466-Y522 WeakPolarHBondContact OG-CD2 3.3Å
467	S	86.6	Confident	89.4	Confident	20 Å²	20	65.8 Å²	65.8	14%	0.14	34%	0.335	C	S	.	.			trans	-108.6	144	-173.1	-175.3	0	0	0	0	113.1	C463 K464 Q465 I469 W512 E514	C463-S467 PolarHBondContact O-N 3Å; K464-S467 PolarHBondContact O-N 2.99Å; Q465-S467 VanDerWaalsContact C-N 3.33Å; Q465-S467 PolarHBondContact O-N 2.02Å; S467-I469 PolarHBondContact OG-N 2.03Å; S467-I469 VanDerWaalsContact OG-N 3.07Å; S467-I469 PolarHBondContact OG-O 2.74Å; S467-I469 VanDerWaalsContact OG-O 3.12Å; S467-W512 WeakPolarHBondContact OG-CH2 3.24Å; S467-E514 VanDerWaalsContact CA-OE1 3.29Å; S467-E514 WeakPolarHBondContact CA-OE1 3.36Å; S467-E514 WeakPolarHBondContact CB-OE1 3.26Å; S467-E514 PolarHBondContact OG-OE1 2.86Å
468	R	85.9	Confident	89.4	Confident	223 Å²	223	63.4 Å²	63.4	84%	0.842	32%	0.32	S	S	*	.	S	Bend	trans	-81.2	-21.3	169.7	-63.3	179.7	-178.9	160.6	1.9	112	E514	R468-E514 PolarHBondContact N-OE1 2.84Å
469	I	84.9	Confident	89.2	Confident	80 Å²	80	62.8 Å²	62.8	41%	0.41	32%	0.316	S	S	.	.	S	Bend	trans	-94.3	132.9	-179.9	-61.9	175.8	0	0	0	108.4	S467 I471 W512	S467-I469 PolarHBondContact OG-N 2.03Å; S467-I469 VanDerWaalsContact OG-N 3.07Å; S467-I469 PolarHBondContact OG-O 2.74Å; S467-I469 VanDerWaalsContact OG-O 3.12Å; I469-I471 PolarHBondContact O-N 3.45Å; I469-W512 HydrophobicContact CB-CH2 3.63Å; I469-W512 HydrophobicContact CB-CZ2 4.21Å; I469-W512 HydrophobicContact CB-CZ3 4.21Å; I469-W512 HydrophobicContact CD1-CE3 4.33Å; I469-W512 HydrophobicContact CD1-CH2 4.06Å; I469-W512 HydrophobicContact CD1-CZ3 3.77Å; I469-W512 HydrophobicContact CG1-CH2 4.32Å; I469-W512 HydrophobicContact CG1-CZ3 4.41Å; I469-W512 HydrophobicContact CG2-CH2 3.98Å; I469-W512 HydrophobicContact CG2-CZ2 4.05Å
470	P	89.9	Confident	88.7	Confident	108 Å²	108	62.3 Å²	62.3	70%	0.701	31%	0.313	S	S	*	.			trans	-59.4	123.1	179.4	-25.3	34.4	0	0	0	112.9
471	I	91.1	Very high	87.7	Confident	13 Å²	13	59.8 Å²	59.8	7%	0.067	31%	0.305	C	S	.	.			trans	-91.3	113	176.6	-54.9	-177.9	0	0	0	109.1	C463 K464 I469 M475 I524	C463-I471 WeakPolarHBondContact O-CD1 3.37Å; C463-I471 WeakPolarHBondContact SG-CD1 3.06Å; K464-I471 HydrophobicContact CG-CB 4.28Å; I469-I471 PolarHBondContact O-N 3.45Å; I471-M475 HydrophobicContact CG2-CB 3.93Å; I471-I524 HydrophobicContact CD1-CG1 4.46Å
472	T	92.4	Very high	86.5	Confident	43 Å²	43	59.8 Å²	59.8	26%	0.264	30%	0.296	S	S	.	.			trans	-82.2	168.1	-176.6	78.1	0	0	0	0	111.8	N393 F474 M475	N393-T472 WeakPolarHBondContact OD1-CG2 3.42Å; N393-T472 PolarHBondContact OD1-OG1 3.33Å; T472-F474 PolarHBondContact O-N 2.62Å; T472-F474 PolarHBondContact OG1-N 2.9Å; T472-M475 HydrophobicContact CG2-CE 4.42Å; T472-M475 PolarHBondContact O-N 3.21Å; T472-M475 VanDerWaalsContact O-N 3.11Å
473	R	91.3	Very high	85.1	Confident	136 Å²	136	56.5 Å²	56.5	51%	0.513	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-6.8	175.6	70.5	178.7	-179.9	176.7	-0.6	115	N225 R530	N225-R473 PolarHBondContact OD1-NH2 3.06Å; R473-R530 PolarHBondContact O-NE 3.15Å
474	F	93.3	Very high	83.5	Confident	29 Å²	29	61.8 Å²	61.8	13%	0.127	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	2.8	178.4	-59.9	-75.2	0	0	0	112.7	H394 T472 H527 R530 Y531	H394-F474 AromaticContact CE1-CD1 3.84Å; H394-F474 AromaticContact CE1-CD2 3.39Å; H394-F474 WeakPolarHBondContact CE1-CD2 3.23Å; H394-F474 AromaticContact CE1-CE1 3.87Å; H394-F474 AromaticContact CE1-CE2 3.42Å; H394-F474 VanDerWaalsContact CE1-CE2 3.42Å; H394-F474 WeakPolarHBondContact CE1-CE2 3.34Å; H394-F474 AromaticContact CE1-CG 3.61Å; H394-F474 AromaticContact CE1-CZ 3.67Å; H394-F474 AromaticContact ND1-CG 3.98Å; H394-F474 AromaticContact NE2-CD2 3.94Å; H394-F474 AromaticContact NE2-CE2 3.9Å; T472-F474 PolarHBondContact O-N 2.62Å; T472-F474 PolarHBondContact OG1-N 2.9Å; F474-H527 WeakPolarHBondContact O-CB 3.48Å; F474-H527 PolarHBondContact O-N 2.68Å; F474-R530 HydrophobicContact CD1-CB 3.95Å; F474-R530 HydrophobicContact CD1-CG 4.25Å; F474-R530 HydrophobicContact CE1-CB 4.46Å; F474-Y531 WeakPolarHBondContact CB-OH 3.22Å
475	M	94	Very high	82	Confident	12 Å²	12	57 Å²	57	6%	0.059	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	160.6	177.7	-56.6	174.1	-171.6	0	0	109.7	F392 N393 I471 T472 I524 Y525	F392-M475 VanDerWaalsContact C-CE 3.49Å; F392-M475 HydrophobicContact CB-CE 4.29Å; F392-M475 VanDerWaalsContact O-CE 3.28Å; F392-M475 WeakPolarHBondContact O-CE 3Å; N393-M475 HydrophobicContact CB-CE 3.79Å; I471-M475 HydrophobicContact CG2-CB 3.93Å; T472-M475 HydrophobicContact CG2-CE 4.42Å; T472-M475 PolarHBondContact O-N 3.21Å; T472-M475 VanDerWaalsContact O-N 3.11Å; M475-I524 HydrophobicContact CB-CG2 3.96Å; M475-I524 HydrophobicContact CG-CG2 4.28Å; M475-I524 HydrophobicContact SD-CG2 3.98Å; M475-Y525 CarbonylContact C-O 3.34Å; M475-Y525 WeakPolarHBondContact CA-O 3.39Å
476	F	92.3	Very high	80.5	Confident	12 Å²	12	49.6 Å²	49.6	5%	0.053	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	160.5	165.1	68.5	-84.3	0	0	0	110.2	M426 V457 A478 H496 T507 Y525 H527	M426-F476 HydrophobicContact CE-CD1 3.97Å; M426-F476 HydrophobicContact CE-CD2 3.66Å; M426-F476 HydrophobicContact CE-CE1 3.98Å; M426-F476 HydrophobicContact CE-CE2 3.69Å; M426-F476 HydrophobicContact CE-CG 3.8Å; M426-F476 HydrophobicContact CE-CZ 3.84Å; V457-F476 HydrophobicContact CG1-CD2 4.13Å; V457-F476 HydrophobicContact CG2-CD2 4.28Å; V457-F476 HydrophobicContact CG2-CE2 4.08Å; F476-A478 HydrophobicContact CD2-CB 4.42Å; F476-A478 HydrophobicContact CE2-CB 4.06Å; F476-H496 AromaticContact CE2-CE1 3.87Å; F476-H496 AromaticContact CE2-NE2 3.88Å; F476-H496 AromaticContact CZ-ND1 3.88Å; F476-T507 WeakPolarHBondContact CE1-O 2.9Å; F476-Y525 HydrophobicContact CE2-CD2 4.27Å; F476-Y525 HydrophobicContact CE2-CG 4.29Å; F476-Y525 HydrophobicContact CZ-CG 4.2Å; F476-Y525 PolarHBondContact N-O 3.1Å; F476-Y525 PolarHBondContact O-N 3.34Å; F476-H527 HydrophobicContact CD1-CB 3.91Å; F476-H527 AromaticContact CD1-CD2 3.77Å; F476-H527 AromaticContact CD1-CG 3.97Å; F476-H527 HydrophobicContact CE1-CB 4.45Å
477	C	90.8	Very high	79.1	Confident	2 Å²	2	49.3 Å²	49.3	1%	0.014	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	145.1	173.3	-68.4	0	0	0	0	110.8	A458 C463 Y522 G523	A458-C477 HydrophobicContact CB-CB 3.91Å; A458-C477 PolarHBondContact N-O 3.43Å; C463-C477 HydrophobicContact CB-CB 3.51Å; C463-C477 WeakPolarHBondContact CB-SG 3.01Å; C463-C477 WeakPolarHBondContact SG-CB 3.46Å; C463-C477 CovalentContact SG-SG 2.01Å; C463-C477 PolarHBondContact SG-SG 2.91Å; C477-Y522 HydrophobicContact CB-CD2 4.36Å; C477-Y522 HydrophobicContact CB-CG 4Å; C477-G523 VanDerWaalsContact CA-O 3.28Å; C477-G523 WeakPolarHBondContact CA-O 3.23Å
478	A	89.1	Confident	78.1	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	155.5	167.9	0	0	0	0	0	111.2	A455 P456 F476 H496 G523 Y525	A455-A478 HydrophobicContact CB-CB 4.3Å; P456-A478 CarbonylContact O-C 3.58Å; P456-A478 WeakPolarHBondContact O-CA 2.97Å; P456-A478 WeakPolarHBondContact O-CB 3.37Å; F476-A478 HydrophobicContact CD2-CB 4.42Å; F476-A478 HydrophobicContact CE2-CB 4.06Å; A478-H496 WeakPolarHBondContact CB-NE2 3.23Å; A478-G523 PolarHBondContact N-O 3.48Å; A478-G523 PolarHBondContact O-N 3.07Å; A478-Y525 HydrophobicContact CB-CD2 3.87Å; A478-Y525 HydrophobicContact CB-CE2 3.53Å
479	G	83.6	Confident	76.7	Confident	6 Å²	6	43.4 Å²	43.4	6%	0.062	24%	0.236	C	C	.	.	S	Bend	trans	119.7	170.4	-175.3	0	0	0	0	0	112.9	P456 Y522	P456-G479 PolarHBondContact O-N 3.49Å; G479-Y522 WeakPolarHBondContact O-CD1 3.43Å; G479-Y522 WeakPolarHBondContact O-CE1 3.29Å
480	L	76.5	Confident	75.5	Confident	83 Å²	83	40.2 Å²	40.2	44%	0.435	22%	0.223	S	C	.	.			trans	-91.5	133.4	176.3	-63.4	174.2	0	0	0	109.6	P456 D482	P456-L480 HydrophobicContact CG-CD2 3.9Å; P456-L480 HydrophobicContact CG-CG 4.48Å; L480-D482 PolarHBondContact O-N 2.65Å; L480-D482 VanDerWaalsContact O-N 3.14Å
481	A	63.9	Low	74.9	Confident	38 Å²	38	35.3 Å²	35.3	31%	0.314	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	7.1	178.7	0	0	0	0	0	113.9	G483 G520 Y522	A481-G483 PolarHBondContact O-N 2.95Å; A481-G520 PolarHBondContact O-N 2.03Å; A481-Y522 HydrophobicContact CB-CE1 3.8Å; A481-Y522 HydrophobicContact CB-CE2 4.49Å
482	D	65.1	Low	74.8	Confident	68 Å²	68	35.8 Å²	35.8	36%	0.364	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-17.8	-176.4	58.5	9.5	0	0	0	112.9	L480 L484 S485	L480-D482 PolarHBondContact O-N 2.65Å; L480-D482 VanDerWaalsContact O-N 3.14Å; D482-L484 HydrophobicContact CB-CD1 4.37Å; D482-L484 HydrophobicContact CB-CG 4.29Å; D482-L484 PolarHBondContact OD1-N 2.95Å; D482-S485 PolarHBondContact OD1-N 3.42Å
483	G	59.7	Low	74.9	Confident	19 Å²	19	33.7 Å²	33.7	20%	0.196	18%	0.182	C	C	.	.	S	Bend	trans	73.6	18.6	-174.3	0	0	0	0	0	112.7	A481 A517	A481-G483 PolarHBondContact O-N 2.95Å; G483-A517 CarbonylContact C-O 3.35Å; G483-A517 VanDerWaalsContact CA-O 3.28Å; G483-A517 WeakPolarHBondContact CA-O 3.26Å
484	L	56.3	Low	75.1	Confident	112 Å²	112	27.2 Å²	27.2	59%	0.586	16%	0.158	S	C	*	.	S	Bend	trans	-109	-16.5	176.3	-58.4	174.9	0	0	0	111.2	V298 G299 D482	V298-L484 CarbonylContact C-O 3.5Å; V298-L484 WeakPolarHBondContact CG1-O 3.4Å; G299-L484 WeakPolarHBondContact CA-O 3.29Å; G299-L484 PolarHBondContact N-O 3.48Å; D482-L484 HydrophobicContact CB-CD1 4.37Å; D482-L484 HydrophobicContact CB-CG 4.29Å; D482-L484 PolarHBondContact OD1-N 2.95Å
485	S	58.6	Low	75.2	Confident	14 Å²	14	25.9 Å²	25.9	10%	0.098	15%	0.152	C	C	.	.			trans	-142.9	124.7	-175.5	-63.6	0	0	0	0	114.7	V298 G299 D482	V298-S485 WeakPolarHBondContact O-CA 3.4Å; G299-S485 WeakPolarHBondContact CA-OG 3.47Å; D482-S485 PolarHBondContact OD1-N 3.42Å
486	D	57.9	Low	75.3	Confident	4 Å²	4	25.3 Å²	25.3	2%	0.021	15%	0.149	C	C	.	.			trans	-162.2	154.7	177.2	-163.3	12.5	0	0	0	113.5	A517 G523	D486-A517 VanDerWaalsContact CB-CA 3.42Å; D486-A517 HydrophobicContact CB-CB 3.77Å; D486-A517 PolarHBondContact OD2-N 3.37Å; D486-G523 PolarHBondContact OD1-N 3.41Å
487	S	58.4	Low	75.4	Confident	13 Å²	13	24.8 Å²	24.8	9%	0.091	15%	0.147	C	C	.	.			trans	-76.1	133.9	168.7	59.5	0	0	0	0	109.9	Y525	S487-Y525 PolarHBondContact OG-OH 2.94Å; S487-Y525 VanDerWaalsContact OG-OH 3.13Å
488	C	65.6	Low	75.4	Confident	8 Å²	8	24.7 Å²	24.7	5%	0.054	15%	0.147	C	C	.	.			trans	-119.9	178.7	-171.3	-166.8	0	0	0	0	112.7	R439 G490 D491 C516	R439-C488 HydrophobicContact CB-CB 4.28Å; R439-C488 WeakPolarHBondContact O-CB 3.32Å; C488-G490 PolarHBondContact O-N 2.68Å; C488-D491 PolarHBondContact N-OD2 3.33Å; C488-D491 VanDerWaalsContact N-OD2 3.1Å; C488-D491 WeakPolarHBondContact O-CB 3.3Å; C488-D491 PolarHBondContact O-N 2.85Å; C488-D491 VanDerWaalsContact O-N 3.15Å; C488-C516 WeakPolarHBondContact CA-SG 3.47Å; C488-C516 HydrophobicContact CB-CB 3.7Å; C488-C516 WeakPolarHBondContact CB-SG 3.23Å; C488-C516 WeakPolarHBondContact SG-CB 3.3Å; C488-C516 CovalentContact SG-SG 2.01Å; C488-C516 PolarHBondContact SG-SG 3.09Å
489	Q	57.1	Low	75.4	Confident	111 Å²	111	26.8 Å²	26.8	52%	0.519	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	130.7	176.3	-69.1	-177	-0.7	0	0	110.9	G438 R439	G438-Q489 CarbonylContact C-O 3.49Å; G438-Q489 WeakPolarHBondContact CA-O 3.35Å; R439-Q489 PolarHBondContact N-O 2.82Å; R439-Q489 VanDerWaalsContact NH2-OE1 3.14Å
490	G	57.9	Low	75.5	Confident	14 Å²	14	27.2 Å²	27.2	14%	0.144	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	103.3	-14.7	-176.6	0	0	0	0	0	114	C488	C488-G490 PolarHBondContact O-N 2.68Å
491	D	78.1	Confident	75.7	Confident	5 Å²	5	29 Å²	29	3%	0.027	16%	0.162	C	C	.	.			trans	-86.3	-8.8	170	-61.2	-42.9	0	0	0	112.8	G436 W437 G438 C488 G493 G494 V510	G436-D491 WeakPolarHBondContact CA-OD1 3.44Å; W437-D491 PolarHBondContact N-OD1 3.01Å; G438-D491 VanDerWaalsContact CA-OD1 3.24Å; G438-D491 WeakPolarHBondContact CA-OD1 3.01Å; G438-D491 PolarHBondContact N-OD1 2.96Å; C488-D491 PolarHBondContact N-OD2 3.33Å; C488-D491 VanDerWaalsContact N-OD2 3.1Å; C488-D491 WeakPolarHBondContact O-CB 3.3Å; C488-D491 PolarHBondContact O-N 2.85Å; C488-D491 VanDerWaalsContact O-N 3.15Å; D491-G493 PolarHBondContact O-N 2.99Å; D491-G494 WeakPolarHBondContact O-CA 3.39Å; D491-G494 PolarHBondContact O-N 3.39Å; D491-V510 HydrophobicContact CB-CG1 4.06Å; D491-V510 HydrophobicContact CB-CG2 4.42Å; D491-V510 VanDerWaalsContact O-CB 3.31Å; D491-V510 WeakPolarHBondContact O-CB 3.29Å
492	S	89.7	Confident	76.8	Confident	22 Å²	22	29.6 Å²	29.6	15%	0.154	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	129.1	-178.2	-69	0	0	0	0	112.2	C328 G329 H343 G494	C328-S492 CarbonylContact C-O 3.2Å; C328-S492 WeakPolarHBondContact CA-O 3.4Å; C328-S492 WeakPolarHBondContact CB-O 3.03Å; G329-S492 PolarHBondContact N-O 2.92Å; H343-S492 WeakPolarHBondContact NE2-CB 3.33Å; H343-S492 PolarHBondContact NE2-OG 2.86Å; S492-G494 VanDerWaalsContact C-N 3.26Å; S492-G494 PolarHBondContact O-N 3.44Å
493	G	94.1	Very high	78	Confident	0 Å²	0	27 Å²	27	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.4	-12.6	-174.1	0	0	0	0	0	114.7	G329 G330 D491 V510	G329-G493 CarbonylContact C-O 3.48Å; G329-G493 CarbonylContact O-C 3.46Å; G329-G493 WeakPolarHBondContact O-CA 3.5Å; G330-G493 VanDerWaalsContact CA-O 3.22Å; G330-G493 WeakPolarHBondContact CA-O 3.45Å; G330-G493 PolarHBondContact N-O 3.1Å; D491-G493 PolarHBondContact O-N 2.99Å; G493-V510 PolarHBondContact N-O 3.19Å
494	G	94.8	Very high	79.6	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.154	C	C	.	.			trans	-68.3	165.8	177.2	0	0	0	0	0	114	D491 S492 I509 V510	D491-G494 WeakPolarHBondContact O-CA 3.39Å; D491-G494 PolarHBondContact O-N 3.39Å; S492-G494 VanDerWaalsContact C-N 3.26Å; S492-G494 PolarHBondContact O-N 3.44Å; G494-I509 WeakPolarHBondContact O-CA 3Å; G494-V510 PolarHBondContact O-N 3.08Å
495	P	96.4	Very high	81.4	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	139.2	-178.1	28	-32.4	0	0	0	112.3	S331 V434 S435 L506	S331-P495 WeakPolarHBondContact OG-CB 3.15Å; V434-P495 WeakPolarHBondContact CA-O 3.01Å; S435-P495 WeakPolarHBondContact OG-CG 3.45Å; P495-L506 HydrophobicContact CB-CD1 3.72Å
496	H	94.7	Very high	83.2	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	114.4	148.1	174.9	-68.7	0	0	0	107.2	S432 L433 V434 A455 F476 A478 T507 G508 Y525	S432-H496 VanDerWaalsContact CB-CE1 3.41Å; S432-H496 WeakPolarHBondContact CB-CE1 3.17Å; L433-H496 WeakPolarHBondContact O-CA 3.04Å; V434-H496 HydrophobicContact CG2-CB 3.93Å; A455-H496 PolarHBondContact O-NE2 3.35Å; A455-H496 VanDerWaalsContact O-NE2 3.1Å; F476-H496 AromaticContact CE2-CE1 3.87Å; F476-H496 AromaticContact CE2-NE2 3.88Å; F476-H496 AromaticContact CZ-ND1 3.88Å; A478-H496 WeakPolarHBondContact CB-NE2 3.23Å; H496-T507 PolarHBondContact CE1-OG1 3.39Å; H496-T507 PolarHBondContact ND1-OG1 2.76Å; H496-T507 PolarHBondContact O-N 3.5Å; H496-T507 PolarHBondContact O-OG1 2.63Å; H496-T507 VanDerWaalsContact O-OG1 3.04Å; H496-G508 PolarHBondContact N-O 2.92Å; H496-G508 PolarHBondContact O-N 3.27Å; H496-Y525 HydrophobicContact CB-CD1 3.6Å; H496-Y525 HydrophobicContact CB-CE1 3.82Å; H496-Y525 HydrophobicContact CB-CG 4.41Å; H496-Y525 AromaticContact CD2-CE1 3.82Å
497	A	94.3	Very high	84.9	Confident	2 Å²	2	21.4 Å²	21.4	2%	0.017	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	139.1	-171.1	0	0	0	0	0	111.2	W310 I414 S432 L433 W504 F505	W310-A497 HydrophobicContact CZ2-CB 4.28Å; I414-A497 HydrophobicContact CD1-CB 3.5Å; S432-A497 CarbonylContact C-O 3.52Å; S432-A497 VanDerWaalsContact CA-O 3.29Å; S432-A497 WeakPolarHBondContact CA-O 3.43Å; L433-A497 PolarHBondContact N-O 2.94Å; L433-A497 PolarHBondContact O-N 3.41Å; A497-W504 HydrophobicContact CB-CE3 3.86Å; A497-W504 HydrophobicContact CB-CZ3 4.34Å; A497-F505 CarbonylContact C-O 3.56Å; A497-F505 VanDerWaalsContact CA-O 3.32Å; A497-F505 WeakPolarHBondContact CA-O 3.43Å
498	T	91.8	Very high	86.7	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	131.9	-180	-54.9	0	0	0	0	109.5	L425 S429 S432 F505 T507	L425-T498 HydrophobicContact CD1-CG2 4.07Å; L425-T498 HydrophobicContact CD2-CG2 4.3Å; L425-T498 HydrophobicContact CG-CG2 4.03Å; S429-T498 WeakPolarHBondContact OG-CG2 3.35Å; S432-T498 PolarHBondContact OG-OG1 3.19Å; T498-F505 PolarHBondContact N-O 2.97Å; T498-F505 PolarHBondContact O-N 2.94Å; T498-T507 WeakPolarHBondContact OG1-CG2 2.81Å; T498-T507 PolarHBondContact OG1-OG1 3.08Å
499	N	88.8	Confident	88.2	Confident	44 Å²	44	20.4 Å²	20.4	24%	0.235	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	131.2	174.8	-168.7	-66.9	0	0	0	110	S429 I431 G502 W504	S429-N499 PolarHBondContact OG-O 2.93Å; I431-N499 PolarHBondContact O-N 2.81Å; N499-G502 PolarHBondContact OD1-N 3.13Å; N499-G502 VanDerWaalsContact OD1-N 3.12Å; N499-W504 HydrophobicContact CB-CD2 3.96Å; N499-W504 HydrophobicContact CB-CE3 4.05Å; N499-W504 HydrophobicContact CB-CH2 4.14Å; N499-W504 HydrophobicContact CB-CZ2 4.04Å; N499-W504 HydrophobicContact CB-CZ3 4.14Å; N499-W504 VanDerWaalsContact ND2-CE2 3.33Å; N499-W504 PolarHBondContact ND2-NE1 3.43Å; N499-W504 VanDerWaalsContact ND2-NE1 3.11Å
500	Y	85.6	Confident	89.9	Confident	15 Å²	15	15.3 Å²	15.3	6%	0.059	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	116	170.1	-168.3	-116.1	0	0	0	110.5	A147 F421 L425 G502 T503	A147-Y500 WeakPolarHBondContact O-CD1 3.38Å; A147-Y500 VanDerWaalsContact O-CE1 3.25Å; A147-Y500 WeakPolarHBondContact O-CE1 2.97Å; F421-Y500 AromaticContact CE2-CD1 3.94Å; F421-Y500 HydrophobicContact CE2-CD1 3.94Å; F421-Y500 AromaticContact CE2-CE1 3.69Å; F421-Y500 HydrophobicContact CE2-CE1 3.69Å; F421-Y500 AromaticContact CZ-CD1 3.61Å; F421-Y500 HydrophobicContact CZ-CD1 3.61Å; F421-Y500 AromaticContact CZ-CE1 3.88Å; F421-Y500 HydrophobicContact CZ-CE1 3.88Å; F421-Y500 HydrophobicContact CZ-CG 4.2Å; L425-Y500 VanDerWaalsContact CD1-CB 3.42Å; L425-Y500 HydrophobicContact CD1-CD2 3.18Å; L425-Y500 HydrophobicContact CD1-CE2 4.06Å; L425-Y500 HydrophobicContact CD1-CG 3.52Å; Y500-G502 PolarHBondContact O-N 3.38Å; Y500-T503 PolarHBondContact N-O 3.18Å; Y500-T503 PolarHBondContact O-N 3.41Å
501	K	81.5	Confident	91.5	Very high	121 Å²	121	14.8 Å²	14.8	53%	0.526	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	34.6	175.4	-61.1	-179.9	178.3	170.6	0	113.3	C146	C146-K501 PolarHBondContact O-NZ 3.4Å
502	G	85.6	Confident	91.7	Very high	50 Å²	50	15.7 Å²	15.7	52%	0.515	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.7	-4.5	179.8	0	0	0	0	0	115.8	N499 Y500	N499-G502 PolarHBondContact OD1-N 3.13Å; N499-G502 VanDerWaalsContact OD1-N 3.12Å; Y500-G502 PolarHBondContact O-N 3.38Å
503	T	90.9	Very high	91.1	Very high	12 Å²	12	16.3 Å²	16.3	7%	0.074	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	130.9	175.6	-54.9	0	0	0	0	110.4	H148 Y165 C415 Y500 F505	H148-T503 PolarHBondContact NE2-OG1 2.94Å; H148-T503 VanDerWaalsContact NE2-OG1 3.15Å; Y165-T503 HydrophobicContact CE2-CG2 4.46Å; C415-T503 HydrophobicContact CB-CG2 4.48Å; C415-T503 VanDerWaalsContact SG-CG2 3.56Å; Y500-T503 PolarHBondContact N-O 3.18Å; Y500-T503 PolarHBondContact O-N 3.41Å; T503-F505 HydrophobicContact CG2-CD2 4.28Å; T503-F505 HydrophobicContact CG2-CE2 3.65Å; T503-F505 HydrophobicContact CG2-CZ 3.93Å; T503-F505 WeakPolarHBondContact O-CD2 3.49Å
504	W	93.6	Very high	90	Very high	31 Å²	31	18 Å²	18	12%	0.117	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	128.8	177.3	-69.9	88.6	0	0	0	112.2	G183 W310 C415 L433 A497 N499	G183-W504 VanDerWaalsContact CA-O 3.26Å; G183-W504 WeakPolarHBondContact CA-O 3.43Å; G183-W504 PolarHBondContact O-N 2.97Å; W310-W504 HydrophobicContact CH2-CB 3.45Å; W310-W504 VanDerWaalsContact CH2-CB 3.45Å; W310-W504 AromaticContact CH2-CD1 3.6Å; W310-W504 AromaticContact CH2-CD2 3.77Å; W310-W504 HydrophobicContact CH2-CD2 3.77Å; W310-W504 HydrophobicContact CH2-CE3 4.43Å; W310-W504 AromaticContact CH2-CG 3.32Å; W310-W504 HydrophobicContact CH2-CG 3.32Å; W310-W504 HydrophobicContact CZ2-CB 4.03Å; W310-W504 HydrophobicContact CZ2-CD2 4.08Å; W310-W504 HydrophobicContact CZ2-CE3 4.29Å; W310-W504 HydrophobicContact CZ2-CG 4.01Å; W310-W504 HydrophobicContact CZ3-CB 3.87Å; W310-W504 HydrophobicContact CZ3-CG 4.07Å; C415-W504 WeakPolarHBondContact CB-O 3.36Å; C415-W504 PolarHBondContact N-O 3.49Å; L433-W504 HydrophobicContact CB-CH2 3.98Å; L433-W504 HydrophobicContact CB-CZ3 3.76Å; L433-W504 HydrophobicContact CD2-CH2 4.37Å; A497-W504 HydrophobicContact CB-CE3 3.86Å; A497-W504 HydrophobicContact CB-CZ3 4.34Å; N499-W504 HydrophobicContact CB-CD2 3.96Å; N499-W504 HydrophobicContact CB-CE3 4.05Å; N499-W504 HydrophobicContact CB-CH2 4.14Å; N499-W504 HydrophobicContact CB-CZ2 4.04Å; N499-W504 HydrophobicContact CB-CZ3 4.14Å; N499-W504 VanDerWaalsContact ND2-CE2 3.33Å; N499-W504 PolarHBondContact ND2-NE1 3.43Å; N499-W504 VanDerWaalsContact ND2-NE1 3.11Å
505	F	94.5	Very high	88.5	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	139.2	177.2	-68.8	-94.5	0	0	0	111.3	H148 F149 A162 C415 F421 M422 L425 A497 T498 T503 T507	H148-F505 AromaticContact CD2-CZ 3.7Å; F149-F505 HydrophobicContact CE1-CE1 4Å; F149-F505 AromaticContact CZ-CE1 3.94Å; F149-F505 HydrophobicContact CZ-CE1 3.94Å; A162-F505 HydrophobicContact CB-CE1 4.11Å; A162-F505 HydrophobicContact CB-CZ 4.4Å; C415-F505 HydrophobicContact CB-CD1 3.44Å; C415-F505 VanDerWaalsContact CB-CD1 3.44Å; C415-F505 HydrophobicContact CB-CE1 3.55Å; C415-F505 HydrophobicContact CB-CG 4.06Å; C415-F505 HydrophobicContact CB-CZ 4.24Å; C415-F505 CarbonylContact O-C 3.59Å; C415-F505 WeakPolarHBondContact O-CA 3.46Å; F421-F505 HydrophobicContact CE1-CD1 4.15Å; F421-F505 HydrophobicContact CE1-CD2 4.32Å; F421-F505 AromaticContact CE1-CE1 3.97Å; F421-F505 HydrophobicContact CE1-CE1 3.97Å; F421-F505 HydrophobicContact CE1-CE2 4.15Å; F421-F505 HydrophobicContact CE1-CG 4.33Å; F421-F505 AromaticContact CE1-CZ 3.97Å; F421-F505 HydrophobicContact CE1-CZ 3.97Å; F421-F505 HydrophobicContact CZ-CE2 4.21Å; F421-F505 HydrophobicContact CZ-CZ 4.23Å; M422-F505 HydrophobicContact CE-CB 3.74Å; M422-F505 HydrophobicContact SD-CB 3.9Å; M422-F505 HydrophobicContact SD-CD1 4.17Å; M422-F505 HydrophobicContact SD-CG 4.21Å; L425-F505 HydrophobicContact CD2-CB 4.1Å; L425-F505 HydrophobicContact CD2-CD2 4.31Å; L425-F505 HydrophobicContact CD2-CG 4.38Å; A497-F505 CarbonylContact C-O 3.56Å; A497-F505 VanDerWaalsContact CA-O 3.32Å; A497-F505 WeakPolarHBondContact CA-O 3.43Å; T498-F505 PolarHBondContact N-O 2.97Å; T498-F505 PolarHBondContact O-N 2.94Å; T503-F505 HydrophobicContact CG2-CD2 4.28Å; T503-F505 HydrophobicContact CG2-CE2 3.65Å; T503-F505 HydrophobicContact CG2-CZ 3.93Å; T503-F505 WeakPolarHBondContact O-CD2 3.49Å; F505-T507 PolarHBondContact O-N 3.03Å
506	L	95.9	Very high	87.1	Confident	0 Å²	0	20 Å²	20	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	104.5	174.4	-173.4	69.9	0	0	0	109.4	L333 I339 I414 C415 V416 M422 P495 G508 V528	L333-L506 HydrophobicContact CD2-CD2 4.25Å; I339-L506 HydrophobicContact CD1-CD2 4.34Å; I339-L506 HydrophobicContact CG2-CD2 3.54Å; I414-L506 HydrophobicContact CD1-CB 3.8Å; I414-L506 HydrophobicContact CD1-CD1 4.14Å; I414-L506 HydrophobicContact CG1-CB 4.02Å; I414-L506 HydrophobicContact CG2-CB 3.85Å; I414-L506 HydrophobicContact CG2-CD1 4.46Å; I414-L506 HydrophobicContact CG2-CD2 4.32Å; I414-L506 HydrophobicContact CG2-CG 4.43Å; C415-L506 PolarHBondContact O-N 3.37Å; V416-L506 HydrophobicContact CG1-CB 4.22Å; V416-L506 HydrophobicContact CG1-CD2 4.38Å; M422-L506 WeakPolarHBondContact CE-O 3.22Å; P495-L506 HydrophobicContact CB-CD1 3.72Å; L506-G508 WeakPolarHBondContact CD1-O 3.36Å; L506-V528 HydrophobicContact CD2-CG1 4.26Å; L506-V528 HydrophobicContact CD2-CG2 4.13Å; L506-V528 HydrophobicContact CG-CG1 4.47Å; L506-V528 HydrophobicContact CG-CG2 4.11Å
507	T	94.4	Very high	85.6	Confident	1 Å²	1	20.7 Å²	20.7	1%	0.006	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	-33.4	-179.6	36.5	0	0	0	0	112	M422 L425 M426 F476 H496 T498 F505 V528	M422-T507 HydrophobicContact CE-CG2 3.37Å; L425-T507 HydrophobicContact CD2-CG2 4.32Å; M426-T507 HydrophobicContact CG-CG2 3.81Å; M426-T507 HydrophobicContact SD-CG2 4.19Å; F476-T507 WeakPolarHBondContact CE1-O 2.9Å; H496-T507 PolarHBondContact CE1-OG1 3.39Å; H496-T507 PolarHBondContact ND1-OG1 2.76Å; H496-T507 PolarHBondContact O-N 3.5Å; H496-T507 PolarHBondContact O-OG1 2.63Å; H496-T507 VanDerWaalsContact O-OG1 3.04Å; T498-T507 WeakPolarHBondContact OG1-CG2 2.81Å; T498-T507 PolarHBondContact OG1-OG1 3.08Å; F505-T507 PolarHBondContact O-N 3.03Å; T507-V528 PolarHBondContact O-N 3.49Å
508	G	95	Very high	84.4	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	166.3	-179	0	0	0	0	0	114.8	H496 L506 T526	H496-G508 PolarHBondContact N-O 2.92Å; H496-G508 PolarHBondContact O-N 3.27Å; L506-G508 WeakPolarHBondContact CD1-O 3.36Å; G508-T526 VanDerWaalsContact CA-O 3.26Å; G508-T526 WeakPolarHBondContact CA-O 3.16Å
509	I	97	Very high	83.7	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	128	169.4	-60.3	160.3	0	0	0	106.9	I339 A341 I396 G494 S511 Y525 T526 V528	I339-I509 HydrophobicContact CD1-CD1 3.83Å; I339-I509 HydrophobicContact CG1-CD1 3.72Å; A341-I509 HydrophobicContact CB-CG2 4.16Å; I396-I509 HydrophobicContact CB-CD1 4.17Å; I396-I509 HydrophobicContact CD1-CD1 3.92Å; I396-I509 HydrophobicContact CG1-CD1 3.66Å; G494-I509 WeakPolarHBondContact O-CA 3Å; I509-S511 PolarHBondContact O-N 3.31Å; I509-Y525 CarbonylContact O-C 3.2Å; I509-Y525 WeakPolarHBondContact O-CA 3.35Å; I509-T526 PolarHBondContact N-O 3.5Å; I509-T526 VanDerWaalsContact N-O 3.17Å; I509-T526 PolarHBondContact O-N 3.38Å; I509-V528 HydrophobicContact CD1-CG2 3.87Å; I509-V528 HydrophobicContact CG1-CG2 3.65Å
510	V	94.4	Very high	83.2	Confident	5 Å²	5	32.9 Å²	32.9	3%	0.03	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	122.4	176.1	-179	0	0	0	0	108.9	V434 D491 G493 G494 Y525	V434-V510 HydrophobicContact CG1-CG2 3.74Å; D491-V510 HydrophobicContact CB-CG1 4.06Å; D491-V510 HydrophobicContact CB-CG2 4.42Å; D491-V510 VanDerWaalsContact O-CB 3.31Å; D491-V510 WeakPolarHBondContact O-CB 3.29Å; G493-V510 PolarHBondContact N-O 3.19Å; G494-V510 PolarHBondContact O-N 3.08Å; V510-Y525 HydrophobicContact CB-CD1 4.46Å; V510-Y525 HydrophobicContact CB-CE1 4.4Å; V510-Y525 HydrophobicContact CG2-CD1 4.09Å; V510-Y525 HydrophobicContact CG2-CE1 3.71Å
511	S	89.8	Confident	83.1	Confident	2 Å²	2	34 Å²	34	1%	0.014	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	-66.6	-176.9	-177	0	0	0	0	111.6	H343 D395 I509 I524	H343-S511 PolarHBondContact CE1-O 2.65Å; H343-S511 VanDerWaalsContact CE1-O 3.3Å; D395-S511 WeakPolarHBondContact OD2-CB 3.43Å; D395-S511 PolarHBondContact OD2-OG 3.02Å; I509-S511 PolarHBondContact O-N 3.31Å; S511-I524 PolarHBondContact N-O 3.48Å; S511-I524 VanDerWaalsContact N-O 3.1Å
512	W	83.8	Confident	83.3	Confident	25 Å²	25	29.6 Å²	29.6	10%	0.095	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	172.3	-176.4	67.1	-77.2	0	0	0	112.6	F392 S467 I469 E514 I524	F392-W512 HydrophobicContact CB-CG 4.02Å; F392-W512 HydrophobicContact CD1-CB 3.68Å; F392-W512 AromaticContact CD1-CD1 3.73Å; F392-W512 AromaticContact CD1-CG 3.82Å; F392-W512 HydrophobicContact CD1-CG 3.82Å; F392-W512 HydrophobicContact CD2-CB 4.09Å; F392-W512 AromaticContact CD2-CD1 3.74Å; F392-W512 AromaticContact CD2-CD2 3.91Å; F392-W512 HydrophobicContact CD2-CD2 3.91Å; F392-W512 AromaticContact CD2-CG 3.62Å; F392-W512 HydrophobicContact CD2-CG 3.62Å; F392-W512 HydrophobicContact CE1-CB 3.65Å; F392-W512 HydrophobicContact CE1-CG 4.2Å; F392-W512 HydrophobicContact CE2-CB 4.07Å; F392-W512 HydrophobicContact CE2-CD2 4.3Å; F392-W512 HydrophobicContact CE2-CG 4.02Å; F392-W512 HydrophobicContact CG-CB 3.91Å; F392-W512 AromaticContact CG-CD1 3.27Å; F392-W512 HydrophobicContact CG-CD2 4.24Å; F392-W512 AromaticContact CG-CG 3.52Å; F392-W512 HydrophobicContact CG-CG 3.52Å; F392-W512 AromaticContact CG-NE1 3.81Å; F392-W512 HydrophobicContact CZ-CB 3.86Å; F392-W512 HydrophobicContact CZ-CG 4.3Å; S467-W512 WeakPolarHBondContact OG-CH2 3.24Å; I469-W512 HydrophobicContact CB-CH2 3.63Å; I469-W512 HydrophobicContact CB-CZ2 4.21Å; I469-W512 HydrophobicContact CB-CZ3 4.21Å; I469-W512 HydrophobicContact CD1-CE3 4.33Å; I469-W512 HydrophobicContact CD1-CH2 4.06Å; I469-W512 HydrophobicContact CD1-CZ3 3.77Å; I469-W512 HydrophobicContact CG1-CH2 4.32Å; I469-W512 HydrophobicContact CG1-CZ3 4.41Å; I469-W512 HydrophobicContact CG2-CH2 3.98Å; I469-W512 HydrophobicContact CG2-CZ2 4.05Å; W512-E514 HydrophobicContact CZ3-CG 3.84Å; W512-I524 HydrophobicContact CD2-CB 4.17Å; W512-I524 HydrophobicContact CD2-CD1 4.05Å; W512-I524 HydrophobicContact CD2-CG1 4.37Å; W512-I524 HydrophobicContact CE3-CD1 3.93Å; W512-I524 HydrophobicContact CG-CB 4.35Å; W512-I524 HydrophobicContact CH2-CD1 3.68Å; W512-I524 HydrophobicContact CH2-CG1 4.01Å; W512-I524 HydrophobicContact CZ2-CB 4.07Å; W512-I524 HydrophobicContact CZ2-CD1 3.86Å; W512-I524 HydrophobicContact CZ2-CG1 3.72Å; W512-I524 HydrophobicContact CZ2-CG2 4.03Å; W512-I524 HydrophobicContact CZ3-CD1 3.74Å; W512-I524 PolarHBondContact N-O 3.18Å; W512-I524 VanDerWaalsContact NE1-CG2 3.35Å; W512-I524 WeakPolarHBondContact O-CA 3.25Å; W512-I524 WeakPolarHBondContact O-CB 3.23Å; W512-I524 PolarHBondContact O-N 3.06Å
513	G	77.4	Confident	83.5	Confident	34 Å²	34	27.2 Å²	27.2	35%	0.351	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	155.6	176.7	0	0	0	0	0	112.3	G515	G513-G515 VanDerWaalsContact C-N 3.34Å; G513-G515 PolarHBondContact O-N 2.8Å; G513-G515 VanDerWaalsContact O-N 3.15Å
514	E	70.9	Confident	83.5	Confident	36 Å²	36	26.8 Å²	26.8	17%	0.168	15%	0.15	C	C	.	.	S	Bend	trans	-84.9	75.3	174.5	-66.5	-170.5	-161.8	0	0	110.8	S467 R468 W512 Q518 K521	S467-E514 VanDerWaalsContact CA-OE1 3.29Å; S467-E514 WeakPolarHBondContact CA-OE1 3.36Å; S467-E514 WeakPolarHBondContact CB-OE1 3.26Å; S467-E514 PolarHBondContact OG-OE1 2.86Å; R468-E514 PolarHBondContact N-OE1 2.84Å; W512-E514 HydrophobicContact CZ3-CG 3.84Å; E514-Q518 PolarHBondContact O-NE2 3.28Å; E514-Q518 PolarHBondContact O-OE1 3.19Å; E514-K521 HydrophobicContact CB-CD 4.24Å; E514-K521 IonicContact OE2-NZ 3.48Å; E514-K521 PolarHBondContact OE2-NZ 2.9Å
515	G	63	Low	83.5	Confident	30 Å²	30	25.4 Å²	25.4	31%	0.309	14%	0.144	S	C	.	.	S	Bend	trans	79.7	-177.2	-170.3	0	0	0	0	0	111.8	G513	G513-G515 VanDerWaalsContact C-N 3.34Å; G513-G515 PolarHBondContact O-N 2.8Å; G513-G515 VanDerWaalsContact O-N 3.15Å
516	C	65.6	Low	83.6	Confident	11 Å²	11	25.4 Å²	25.4	7%	0.074	15%	0.145	C	C	.	.	S	Bend	trans	-112.9	124.4	179.6	-56.9	0	0	0	0	110	D442 C488 Q518	D442-C516 HydrophobicContact CB-CB 4.32Å; C488-C516 WeakPolarHBondContact CA-SG 3.47Å; C488-C516 HydrophobicContact CB-CB 3.7Å; C488-C516 WeakPolarHBondContact CB-SG 3.23Å; C488-C516 WeakPolarHBondContact SG-CB 3.3Å; C488-C516 CovalentContact SG-SG 2.01Å; C488-C516 PolarHBondContact SG-SG 3.09Å; C516-Q518 VanDerWaalsContact C-N 3.26Å; C516-Q518 PolarHBondContact O-N 3.05Å
517	A	64.3	Low	83.5	Confident	15 Å²	15	26.2 Å²	26.2	12%	0.124	15%	0.148	C	C	.	.	S	Bend	trans	55	40	176.3	0	0	0	0	0	113.3	V298 G483 D486	V298-A517 HydrophobicContact CB-CB 3.51Å; V298-A517 HydrophobicContact CG1-CB 3.58Å; V298-A517 HydrophobicContact CG2-CB 3.61Å; G483-A517 CarbonylContact C-O 3.35Å; G483-A517 VanDerWaalsContact CA-O 3.28Å; G483-A517 WeakPolarHBondContact CA-O 3.26Å; D486-A517 VanDerWaalsContact CB-CA 3.42Å; D486-A517 HydrophobicContact CB-CB 3.77Å; D486-A517 PolarHBondContact OD2-N 3.37Å
518	Q	69.5	Low	83.6	Confident	87 Å²	87	26.2 Å²	26.2	41%	0.407	15%	0.148	S	C	.	.			trans	-76.6	132.4	172.3	-68.7	-170.2	10.9	0	0	110	E514 C516 G520 K521	E514-Q518 PolarHBondContact O-NE2 3.28Å; E514-Q518 PolarHBondContact O-OE1 3.19Å; C516-Q518 VanDerWaalsContact C-N 3.26Å; C516-Q518 PolarHBondContact O-N 3.05Å; Q518-G520 PolarHBondContact O-N 3.24Å; Q518-K521 HydrophobicContact CB-CB 4.03Å; Q518-K521 HydrophobicContact CB-CG 3.63Å; Q518-K521 WeakPolarHBondContact O-CB 3.45Å; Q518-K521 PolarHBondContact O-N 3.15Å
519	K	76.1	Confident	83.4	Confident	180 Å²	180	26.3 Å²	26.3	78%	0.783	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	128.3	176	-172.7	174.5	-177.6	174.7	0	110.6	K521	K519-K521 VanDerWaalsContact C-N 3.32Å
520	G	78.2	Confident	83.3	Confident	36 Å²	36	31.1 Å²	31.1	37%	0.371	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	76	13.7	-178.3	0	0	0	0	0	115	S466 A481 Q518	S466-G520 VanDerWaalsContact CB-O 3.25Å; S466-G520 WeakPolarHBondContact CB-O 3.33Å; A481-G520 PolarHBondContact O-N 2.03Å; Q518-G520 PolarHBondContact O-N 3.24Å
521	K	83.3	Confident	83.4	Confident	39 Å²	39	31.1 Å²	31.1	17%	0.17	17%	0.167	C	C	.	.			trans	-113.5	164.2	171.4	-58.6	-63.5	-177.4	166.4	0	110.4	S466 E514 Q518 K519	S466-K521 VanDerWaalsContact O-CD 3.31Å; S466-K521 WeakPolarHBondContact O-CD 3.28Å; S466-K521 WeakPolarHBondContact O-CE 3.45Å; S466-K521 PolarHBondContact O-NZ 3.25Å; E514-K521 HydrophobicContact CB-CD 4.24Å; E514-K521 IonicContact OE2-NZ 3.48Å; E514-K521 PolarHBondContact OE2-NZ 2.9Å; Q518-K521 HydrophobicContact CB-CB 4.03Å; Q518-K521 HydrophobicContact CB-CG 3.63Å; Q518-K521 WeakPolarHBondContact O-CB 3.45Å; Q518-K521 PolarHBondContact O-N 3.15Å; K519-K521 VanDerWaalsContact C-N 3.32Å
522	Y	86.8	Confident	83.5	Confident	27 Å²	27	32.5 Å²	32.5	11%	0.106	17%	0.172	C	C	.	.			trans	-133.3	156.3	177.4	-57.7	-84.3	0	0	0	109.8	A458 L462 S466 C477 G479 A481 I524	A458-Y522 HydrophobicContact CB-CD1 3.53Å; A458-Y522 HydrophobicContact CB-CD2 4.48Å; A458-Y522 HydrophobicContact CB-CE1 3.4Å; A458-Y522 VanDerWaalsContact CB-CE1 3.4Å; A458-Y522 HydrophobicContact CB-CE2 4.39Å; A458-Y522 HydrophobicContact CB-CG 4.08Å; L462-Y522 HydrophobicContact CB-CE2 4.47Å; S466-Y522 WeakPolarHBondContact OG-CD2 3.3Å; C477-Y522 HydrophobicContact CB-CD2 4.36Å; C477-Y522 HydrophobicContact CB-CG 4Å; G479-Y522 WeakPolarHBondContact O-CD1 3.43Å; G479-Y522 WeakPolarHBondContact O-CE1 3.29Å; A481-Y522 HydrophobicContact CB-CE1 3.8Å; A481-Y522 HydrophobicContact CB-CE2 4.49Å; Y522-I524 VanDerWaalsContact O-CD1 3.3Å; Y522-I524 WeakPolarHBondContact O-CD1 3.46Å
523	G	88.3	Confident	84	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	144.2	164.6	0	0	0	0	0	110.7	C477 A478 D486 Y525	C477-G523 VanDerWaalsContact CA-O 3.28Å; C477-G523 WeakPolarHBondContact CA-O 3.23Å; A478-G523 PolarHBondContact N-O 3.48Å; A478-G523 PolarHBondContact O-N 3.07Å; D486-G523 PolarHBondContact OD1-N 3.41Å; G523-Y525 VanDerWaalsContact C-CE2 3.41Å; G523-Y525 WeakPolarHBondContact O-CD2 3.45Å; G523-Y525 WeakPolarHBondContact O-CE2 3.29Å
524	I	91.4	Very high	84.8	Confident	4 Å²	4	34.5 Å²	34.5	2%	0.021	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	128.7	179.9	-60.6	88.7	0	0	0	109.8	I471 M475 S511 W512 Y522	I471-I524 HydrophobicContact CD1-CG1 4.46Å; M475-I524 HydrophobicContact CB-CG2 3.96Å; M475-I524 HydrophobicContact CG-CG2 4.28Å; M475-I524 HydrophobicContact SD-CG2 3.98Å; S511-I524 PolarHBondContact N-O 3.48Å; S511-I524 VanDerWaalsContact N-O 3.1Å; W512-I524 HydrophobicContact CD2-CB 4.17Å; W512-I524 HydrophobicContact CD2-CD1 4.05Å; W512-I524 HydrophobicContact CD2-CG1 4.37Å; W512-I524 HydrophobicContact CE3-CD1 3.93Å; W512-I524 HydrophobicContact CG-CB 4.35Å; W512-I524 HydrophobicContact CH2-CD1 3.68Å; W512-I524 HydrophobicContact CH2-CG1 4.01Å; W512-I524 HydrophobicContact CZ2-CB 4.07Å; W512-I524 HydrophobicContact CZ2-CD1 3.86Å; W512-I524 HydrophobicContact CZ2-CG1 3.72Å; W512-I524 HydrophobicContact CZ2-CG2 4.03Å; W512-I524 HydrophobicContact CZ3-CD1 3.74Å; W512-I524 PolarHBondContact N-O 3.18Å; W512-I524 VanDerWaalsContact NE1-CG2 3.35Å; W512-I524 WeakPolarHBondContact O-CA 3.25Å; W512-I524 WeakPolarHBondContact O-CB 3.23Å; W512-I524 PolarHBondContact O-N 3.06Å; Y522-I524 VanDerWaalsContact O-CD1 3.3Å; Y522-I524 WeakPolarHBondContact O-CD1 3.46Å
525	Y	94.1	Very high	86	Confident	1 Å²	1	32.8 Å²	32.8	0%	0.004	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	141.3	-173	-56.5	-99.1	0	0	0	110.5	V434 M475 F476 A478 S487 H496 I509 V510 G523 H527	V434-Y525 HydrophobicContact CG1-CE1 4.32Å; V434-Y525 HydrophobicContact CG2-CE1 3.66Å; M475-Y525 CarbonylContact C-O 3.34Å; M475-Y525 WeakPolarHBondContact CA-O 3.39Å; F476-Y525 HydrophobicContact CE2-CD2 4.27Å; F476-Y525 HydrophobicContact CE2-CG 4.29Å; F476-Y525 HydrophobicContact CZ-CG 4.2Å; F476-Y525 PolarHBondContact N-O 3.1Å; F476-Y525 PolarHBondContact O-N 3.34Å; A478-Y525 HydrophobicContact CB-CD2 3.87Å; A478-Y525 HydrophobicContact CB-CE2 3.53Å; S487-Y525 PolarHBondContact OG-OH 2.94Å; S487-Y525 VanDerWaalsContact OG-OH 3.13Å; H496-Y525 HydrophobicContact CB-CD1 3.6Å; H496-Y525 HydrophobicContact CB-CE1 3.82Å; H496-Y525 HydrophobicContact CB-CG 4.41Å; H496-Y525 AromaticContact CD2-CE1 3.82Å; I509-Y525 CarbonylContact O-C 3.2Å; I509-Y525 WeakPolarHBondContact O-CA 3.35Å; V510-Y525 HydrophobicContact CB-CD1 4.46Å; V510-Y525 HydrophobicContact CB-CE1 4.4Å; V510-Y525 HydrophobicContact CG2-CD1 4.09Å; V510-Y525 HydrophobicContact CG2-CE1 3.71Å; G523-Y525 VanDerWaalsContact C-CE2 3.41Å; G523-Y525 WeakPolarHBondContact O-CD2 3.45Å; G523-Y525 WeakPolarHBondContact O-CE2 3.29Å; Y525-H527 PolarHBondContact O-N 2.88Å
526	T	96.1	Very high	87.5	Confident	1 Å²	1	32.8 Å²	32.8	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	128.3	169.5	-62.8	0	0	0	0	109.3	D395 I396 G508 I509 V528 Y531	D395-T526 PolarHBondContact O-OG1 3.17Å; I396-T526 HydrophobicContact CB-CG2 4.17Å; G508-T526 VanDerWaalsContact CA-O 3.26Å; G508-T526 WeakPolarHBondContact CA-O 3.16Å; I509-T526 PolarHBondContact N-O 3.5Å; I509-T526 VanDerWaalsContact N-O 3.17Å; I509-T526 PolarHBondContact O-N 3.38Å; T526-V528 PolarHBondContact O-N 3.12Å; T526-V528 VanDerWaalsContact O-N 3.08Å; T526-Y531 HydrophobicContact CG2-CD2 4.19Å; T526-Y531 HydrophobicContact CG2-CE2 3.55Å
527	H	94.5	Very high	88.9	Confident	16 Å²	16	39.7 Å²	39.7	7%	0.074	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	92.5	-175.8	-162.2	-51.6	0	0	0	111.5	F474 F476 Y525 S529 R530 Y531	F474-H527 WeakPolarHBondContact O-CB 3.48Å; F474-H527 PolarHBondContact O-N 2.68Å; F476-H527 HydrophobicContact CD1-CB 3.91Å; F476-H527 AromaticContact CD1-CD2 3.77Å; F476-H527 AromaticContact CD1-CG 3.97Å; F476-H527 HydrophobicContact CE1-CB 4.45Å; Y525-H527 PolarHBondContact O-N 2.88Å; H527-S529 VanDerWaalsContact C-N 3.3Å; H527-S529 PolarHBondContact CE1-OG 2.97Å; H527-S529 PolarHBondContact ND1-OG 3.34Å; H527-S529 VanDerWaalsContact ND1-OG 3.07Å; H527-S529 PolarHBondContact O-N 2.78Å; H527-R530 HydrophobicContact CB-CG 3.96Å; H527-R530 WeakPolarHBondContact O-CB 3.29Å; H527-R530 PolarHBondContact O-N 2.88Å; H527-Y531 WeakPolarHBondContact O-CD2 3.45Å
528	V	95.6	Very high	90.4	Very high	2 Å²	2	43 Å²	43	1%	0.012	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-55.4	-41.3	-169.5	170.9	0	0	0	0	113.1	V416 L506 T507 I509 T526 R530 Y531 Y532 I535	V416-V528 HydrophobicContact CG1-CG1 4.36Å; L506-V528 HydrophobicContact CD2-CG1 4.26Å; L506-V528 HydrophobicContact CD2-CG2 4.13Å; L506-V528 HydrophobicContact CG-CG1 4.47Å; L506-V528 HydrophobicContact CG-CG2 4.11Å; T507-V528 PolarHBondContact O-N 3.49Å; I509-V528 HydrophobicContact CD1-CG2 3.87Å; I509-V528 HydrophobicContact CG1-CG2 3.65Å; T526-V528 PolarHBondContact O-N 3.12Å; T526-V528 VanDerWaalsContact O-N 3.08Å; V528-R530 PolarHBondContact O-N 3.33Å; V528-R530 VanDerWaalsContact O-N 3.11Å; V528-Y531 WeakPolarHBondContact O-CA 3.19Å; V528-Y531 PolarHBondContact O-N 3.4Å; V528-Y532 PolarHBondContact O-N 3.44Å; V528-I535 HydrophobicContact CG1-CD1 3.85Å
529	S	92.4	Very high	91.6	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.014	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-61.6	-26	-177.1	77.6	0	0	0	0	113.4	T419 H527 Y531 Y532	T419-S529 WeakPolarHBondContact CG2-O 3.12Å; H527-S529 VanDerWaalsContact C-N 3.3Å; H527-S529 PolarHBondContact CE1-OG 2.97Å; H527-S529 PolarHBondContact ND1-OG 3.34Å; H527-S529 VanDerWaalsContact ND1-OG 3.07Å; H527-S529 PolarHBondContact O-N 2.78Å; S529-Y531 PolarHBondContact O-N 3.21Å; S529-Y532 VanDerWaalsContact O-CB 3.32Å; S529-Y532 WeakPolarHBondContact O-CB 3.47Å; S529-Y532 PolarHBondContact O-N 3.07Å; S529-Y532 VanDerWaalsContact O-N 3.16Å
530	R	94	Very high	92.4	Very high	100 Å²	100	33.7 Å²	33.7	38%	0.377	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-65	-17.6	174.4	-63	-66.5	-171.5	-178.3	-3.1	113.1	R473 F474 H527 V528	R473-R530 PolarHBondContact O-NE 3.15Å; F474-R530 HydrophobicContact CD1-CB 3.95Å; F474-R530 HydrophobicContact CD1-CG 4.25Å; F474-R530 HydrophobicContact CE1-CB 4.46Å; H527-R530 HydrophobicContact CB-CG 3.96Å; H527-R530 WeakPolarHBondContact O-CB 3.29Å; H527-R530 PolarHBondContact O-N 2.88Å; V528-R530 PolarHBondContact O-N 3.33Å; V528-R530 VanDerWaalsContact O-N 3.11Å
531	Y	95.5	Very high	92.7	Very high	6 Å²	6	33.1 Å²	33.1	2%	0.024	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-109	7.6	180	-57.3	-83.1	0	0	0	112.6	H382 H394 I396 F474 T526 H527 V528 S529 A533 W534 I535	H382-Y531 AromaticContact CD2-CD1 3.51Å; H382-Y531 AromaticContact CD2-CE1 3.83Å; H382-Y531 AromaticContact CE1-CE1 3.82Å; H382-Y531 AromaticContact NE2-CD1 3.47Å; H382-Y531 WeakPolarHBondContact NE2-CD1 3.15Å; H382-Y531 AromaticContact NE2-CE1 3.67Å; H394-Y531 VanDerWaalsContact CA-OH 3.32Å; H394-Y531 WeakPolarHBondContact CA-OH 3.01Å; H394-Y531 AromaticContact ND1-CE1 3.66Å; H394-Y531 AromaticContact ND1-CZ 3.64Å; H394-Y531 PolarHBondContact ND1-OH 3.37Å; I396-Y531 HydrophobicContact CD1-CD2 3.95Å; I396-Y531 HydrophobicContact CD1-CG 3.82Å; I396-Y531 HydrophobicContact CG2-CD1 3.89Å; I396-Y531 HydrophobicContact CG2-CD2 4.29Å; I396-Y531 HydrophobicContact CG2-CE1 3.84Å; I396-Y531 HydrophobicContact CG2-CE2 4.27Å; I396-Y531 HydrophobicContact CG2-CG 4.11Å; F474-Y531 WeakPolarHBondContact CB-OH 3.22Å; T526-Y531 HydrophobicContact CG2-CD2 4.19Å; T526-Y531 HydrophobicContact CG2-CE2 3.55Å; H527-Y531 WeakPolarHBondContact O-CD2 3.45Å; V528-Y531 WeakPolarHBondContact O-CA 3.19Å; V528-Y531 PolarHBondContact O-N 3.4Å; S529-Y531 PolarHBondContact O-N 3.21Å; Y531-A533 VanDerWaalsContact C-N 3.31Å; Y531-A533 PolarHBondContact O-N 3.24Å; Y531-W534 WeakPolarHBondContact O-CB 2.85Å; Y531-W534 PolarHBondContact O-N 2.82Å; Y531-I535 WeakPolarHBondContact O-CG1 3.25Å; Y531-I535 PolarHBondContact O-N 3.46Å
532	Y	93.3	Very high	92.4	Very high	31 Å²	31	36.9 Å²	36.9	12%	0.122	20%	0.199	C	C	.	.	H	α-helix	trans	-53.8	-46	-174.4	-174.4	-111	0	0	0	112.6	V416 G417 V528 S529 W534 I535 V536 Q543	V416-Y532 HydrophobicContact CB-CD2 4.38Å; V416-Y532 HydrophobicContact CB-CE2 4.22Å; V416-Y532 HydrophobicContact CG2-CE2 4.04Å; G417-Y532 VanDerWaalsContact C-CD2 3.42Å; G417-Y532 WeakPolarHBondContact O-CD2 3.44Å; V528-Y532 PolarHBondContact O-N 3.44Å; S529-Y532 VanDerWaalsContact O-CB 3.32Å; S529-Y532 WeakPolarHBondContact O-CB 3.47Å; S529-Y532 PolarHBondContact O-N 3.07Å; S529-Y532 VanDerWaalsContact O-N 3.16Å; Y532-W534 VanDerWaalsContact C-N 3.34Å; Y532-W534 PolarHBondContact O-N 3.05Å; Y532-I535 PolarHBondContact O-N 3.43Å; Y532-V536 HydrophobicContact CD1-CG2 4.13Å; Y532-V536 HydrophobicContact CD2-CG2 4.3Å; Y532-V536 HydrophobicContact CE1-CG2 3.78Å; Y532-V536 HydrophobicContact CE2-CG2 3.95Å; Y532-V536 HydrophobicContact CG-CG2 4.39Å; Y532-V536 VanDerWaalsContact O-CG2 3.25Å; Y532-V536 WeakPolarHBondContact O-CG2 3.09Å; Y532-V536 PolarHBondContact O-N 2.71Å; Y532-Q543 WeakPolarHBondContact OH-CG 3.49Å; Y532-Q543 PolarHBondContact OH-NE2 2.91Å
533	A	92.8	Very high	91.7	Very high	79 Å²	79	38.3 Å²	38.3	65%	0.653	21%	0.206	S	C	*	.	H	α-helix	trans	-59.7	-42.4	177.6	0	0	0	0	0	112.8	Y531 V536 Q537	Y531-A533 VanDerWaalsContact C-N 3.31Å; Y531-A533 PolarHBondContact O-N 3.24Å; A533-V536 PolarHBondContact O-N 3.38Å; A533-Q537 VanDerWaalsContact O-CB 3.28Å; A533-Q537 WeakPolarHBondContact O-CB 3.05Å; A533-Q537 PolarHBondContact O-N 2.92Å
534	W	95.7	Very high	90.5	Very high	21 Å²	21	40 Å²	40	8%	0.08	22%	0.218	C	C	.	.	H	α-helix	trans	-67.4	-40.6	176.7	172.9	77.4	0	0	0	112	H380 H382 I396 L398 Y531 Y532 Q537 K538	H380-W534 HydrophobicContact CB-CZ2 4.38Å; H380-W534 WeakPolarHBondContact O-CH2 3.29Å; H380-W534 WeakPolarHBondContact O-CZ2 3.31Å; H382-W534 HydrophobicContact CB-CH2 4.29Å; H382-W534 HydrophobicContact CB-CZ2 4.2Å; H382-W534 AromaticContact CD2-CD2 3.57Å; H382-W534 AromaticContact CD2-CE2 3.78Å; H382-W534 AromaticContact CD2-CE3 3.91Å; H382-W534 AromaticContact CD2-CG 3.8Å; I396-W534 HydrophobicContact CD1-CE3 4.28Å; I396-W534 HydrophobicContact CD1-CZ3 3.77Å; I396-W534 HydrophobicContact CG1-CH2 4.46Å; I396-W534 HydrophobicContact CG1-CZ3 3.83Å; I396-W534 HydrophobicContact CG2-CZ3 4.41Å; L398-W534 HydrophobicContact CB-CH2 4.14Å; L398-W534 HydrophobicContact CD1-CD2 4.41Å; L398-W534 HydrophobicContact CD1-CE3 3.97Å; L398-W534 HydrophobicContact CD1-CH2 3.59Å; L398-W534 HydrophobicContact CD1-CZ2 4.05Å; L398-W534 HydrophobicContact CD1-CZ3 3.53Å; L398-W534 HydrophobicContact CG-CH2 3.6Å; L398-W534 HydrophobicContact CG-CZ2 4.43Å; L398-W534 HydrophobicContact CG-CZ3 3.66Å; Y531-W534 WeakPolarHBondContact O-CB 2.85Å; Y531-W534 PolarHBondContact O-N 2.82Å; Y532-W534 VanDerWaalsContact C-N 3.34Å; Y532-W534 PolarHBondContact O-N 3.05Å; W534-Q537 PolarHBondContact O-N 3.3Å; W534-K538 WeakPolarHBondContact O-CB 3.36Å; W534-K538 WeakPolarHBondContact O-CG 3.35Å; W534-K538 PolarHBondContact O-N 3.28Å
535	I	96.4	Very high	88.4	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-60.3	-50.1	175.2	-65	166.1	0	0	0	109.8	L333 I339 I396 L398 V528 Y531 Y532 Q537 K538 T539	L333-I535 HydrophobicContact CD1-CG2 4Å; I339-I535 HydrophobicContact CD1-CD1 3.82Å; I339-I535 HydrophobicContact CD1-CG1 4.36Å; I396-I535 HydrophobicContact CD1-CD1 4.39Å; L398-I535 HydrophobicContact CD1-CG1 4.5Å; V528-I535 HydrophobicContact CG1-CD1 3.85Å; Y531-I535 WeakPolarHBondContact O-CG1 3.25Å; Y531-I535 PolarHBondContact O-N 3.46Å; Y532-I535 PolarHBondContact O-N 3.43Å; I535-Q537 PolarHBondContact O-N 2.77Å; I535-K538 PolarHBondContact O-N 3.26Å; I535-T539 HydrophobicContact CG2-CG2 4.19Å; I535-T539 VanDerWaalsContact O-CB 3.31Å; I535-T539 WeakPolarHBondContact O-CB 2.99Å; I535-T539 VanDerWaalsContact O-CG2 3.29Å; I535-T539 WeakPolarHBondContact O-CG2 3.36Å; I535-T539 PolarHBondContact O-N 3.09Å; I535-T539 PolarHBondContact O-OG1 2.66Å
536	V	93.9	Very high	88.1	Confident	30 Å²	30	48.5 Å²	48.5	18%	0.182	26%	0.263	C	S	.	.	H	α-helix	trans	-60.4	-46.9	178.3	174.3	0	0	0	0	110.8	Y532 A533 K538 T539 G540 I541 L542	Y532-V536 HydrophobicContact CD1-CG2 4.13Å; Y532-V536 HydrophobicContact CD2-CG2 4.3Å; Y532-V536 HydrophobicContact CE1-CG2 3.78Å; Y532-V536 HydrophobicContact CE2-CG2 3.95Å; Y532-V536 HydrophobicContact CG-CG2 4.39Å; Y532-V536 VanDerWaalsContact O-CG2 3.25Å; Y532-V536 WeakPolarHBondContact O-CG2 3.09Å; Y532-V536 PolarHBondContact O-N 2.71Å; A533-V536 PolarHBondContact O-N 3.38Å; V536-K538 VanDerWaalsContact C-N 3.29Å; V536-K538 PolarHBondContact O-N 3.5Å; V536-T539 PolarHBondContact O-N 2.86Å; V536-G540 WeakPolarHBondContact O-CA 3.44Å; V536-G540 PolarHBondContact O-N 3.14Å; V536-I541 WeakPolarHBondContact CG2-O 3.47Å; V536-L542 HydrophobicContact CG1-CD2 3.54Å
537	Q	94.8	Very high	87.7	Confident	157 Å²	157	50.9 Å²	50.9	73%	0.734	28%	0.277	S	S	*	.	H	α-helix	trans	-58.4	-39.6	179.7	-175.1	-173.8	34.4	0	0	112.5	A533 W534 I535	A533-Q537 VanDerWaalsContact O-CB 3.28Å; A533-Q537 WeakPolarHBondContact O-CB 3.05Å; A533-Q537 PolarHBondContact O-N 2.92Å; W534-Q537 PolarHBondContact O-N 3.3Å; I535-Q537 PolarHBondContact O-N 2.77Å
538	K	95.9	Very high	87.3	Confident	85 Å²	85	52.9 Å²	52.9	37%	0.37	29%	0.288	S	S	.	.	H	α-helix	trans	-82	-40.4	-178.1	-72	-66.7	-174.4	167.7	0	113.3	W337 H380 L398 W534 I535 V536	W337-K538 WeakPolarHBondContact CH2-O 3.43Å; W337-K538 WeakPolarHBondContact CZ2-O 3.01Å; H380-K538 PolarHBondContact ND1-NZ 3.29Å; H380-K538 VanDerWaalsContact ND1-NZ 3.12Å; L398-K538 HydrophobicContact CD1-CB 3.77Å; L398-K538 HydrophobicContact CD1-CG 4.29Å; W534-K538 WeakPolarHBondContact O-CB 3.36Å; W534-K538 WeakPolarHBondContact O-CG 3.35Å; W534-K538 PolarHBondContact O-N 3.28Å; I535-K538 PolarHBondContact O-N 3.26Å; V536-K538 VanDerWaalsContact C-N 3.29Å; V536-K538 PolarHBondContact O-N 3.5Å
539	T	94.8	Very high	86.8	Confident	19 Å²	19	55.9 Å²	55.9	12%	0.117	30%	0.304	C	S	.	.	H	α-helix	trans	-94.7	-23.6	-170.4	64.7	0	0	0	0	113.6	W337 L398 I535 V536 I541	W337-T539 HydrophobicContact CB-CG2 4.17Å; W337-T539 HydrophobicContact CD2-CG2 3.66Å; W337-T539 HydrophobicContact CE3-CG2 3.92Å; W337-T539 HydrophobicContact CG-CG2 3.77Å; W337-T539 HydrophobicContact CZ3-CG2 4.48Å; W337-T539 PolarHBondContact NE1-O 3.19Å; L398-T539 HydrophobicContact CD1-CG2 4.01Å; L398-T539 HydrophobicContact CD2-CG2 4.16Å; I535-T539 HydrophobicContact CG2-CG2 4.19Å; I535-T539 VanDerWaalsContact O-CB 3.31Å; I535-T539 WeakPolarHBondContact O-CB 2.99Å; I535-T539 VanDerWaalsContact O-CG2 3.29Å; I535-T539 WeakPolarHBondContact O-CG2 3.36Å; I535-T539 PolarHBondContact O-N 3.09Å; I535-T539 PolarHBondContact O-OG1 2.66Å; V536-T539 PolarHBondContact O-N 2.86Å; T539-I541 HydrophobicContact CG2-CD1 4.33Å; T539-I541 PolarHBondContact O-N 3Å; T539-I541 WeakPolarHBondContact OG1-CB 3.41Å; T539-I541 WeakPolarHBondContact OG1-CG1 3.38Å; T539-I541 PolarHBondContact OG1-N 3.34Å
540	G	91.6	Very high	86.4	Confident	52 Å²	52	59.3 Å²	59.3	54%	0.536	32%	0.323	S	S	.	.			trans	71	9.4	-170.6	0	0	0	0	0	114.2	V536 L542	V536-G540 WeakPolarHBondContact O-CA 3.44Å; V536-G540 PolarHBondContact O-N 3.14Å; G540-L542 PolarHBondContact O-N 2.72Å
541	I	86.1	Confident	85.9	Confident	23 Å²	23	56.5 Å²	56.5	12%	0.118	32%	0.319	C	S	.	.			trans	-73.3	97.2	178.4	-62.1	169.6	0	0	0	108.4	A163 L333 V416 V536 T539	A163-I541 HydrophobicContact CB-CG2 3.57Å; L333-I541 HydrophobicContact CB-CD1 3.77Å; V416-I541 HydrophobicContact CG2-CG2 4.47Å; V536-I541 WeakPolarHBondContact CG2-O 3.47Å; T539-I541 HydrophobicContact CG2-CD1 4.33Å; T539-I541 PolarHBondContact O-N 3Å; T539-I541 WeakPolarHBondContact OG1-CB 3.41Å; T539-I541 WeakPolarHBondContact OG1-CG1 3.38Å; T539-I541 PolarHBondContact OG1-N 3.34Å
542	L	76	Confident	85.3	Confident	119 Å²	119	60.1 Å²	60.1	62%	0.623	34%	0.34	S	S	*	.			trans	-96.3	157.6	-177.3	-67.3	167.4	0	0	0	112.2	V536 G540	V536-L542 HydrophobicContact CG1-CD2 3.54Å; G540-L542 PolarHBondContact O-N 2.72Å
543	Q	72.7	Confident	84.6	Confident	56 Å²	56	62.4 Å²	62.4	26%	0.262	36%	0.357	S	S	.	.			trans	-75.4	148.9	165.2	-54.8	-176.1	-2.8	0	0	109.2	F149 C161 Y532	F149-Q543 HydrophobicContact CD2-CB 4.42Å; F149-Q543 HydrophobicContact CD2-CG 3.88Å; F149-Q543 HydrophobicContact CE2-CB 4.45Å; F149-Q543 HydrophobicContact CE2-CG 3.7Å; C161-Q543 WeakPolarHBondContact O-CA 3.2Å; Y532-Q543 WeakPolarHBondContact OH-CG 3.49Å; Y532-Q543 PolarHBondContact OH-NE2 2.91Å
544	S	63.4	Low	84	Confident	35 Å²	35	61 Å²	61	25%	0.245	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-105.4	144.5	174.6	50	0	0	0	0	110.6	C161 Y165	C161-S544 PolarHBondContact N-O 2.9Å; C161-S544 PolarHBondContact O-N 3.35Å; C161-S544 VanDerWaalsContact O-N 3.13Å; Y165-S544 WeakPolarHBondContact O-CB 3.33Å; Y165-S544 PolarHBondContact O-OG 3.09Å
545	N	46.3	Very low	82.9	Confident	135 Å²	135	64.6 Å²	64.6	72%	0.722	36%	0.355	S	S	*	.			trans	-99.1	0	164	-167.8	0.9	0	0	0	107.9	Y160 V167	Y160-N545 HydrophobicContact CD1-CB 4.05Å; Y160-N545 HydrophobicContact CE1-CB 3.92Å; V167-N545 VanDerWaalsContact CB-OXT 3.31Å; V167-N545 WeakPolarHBondContact CB-OXT 3.29Å; V167-N545 WeakPolarHBondContact CG2-OXT 3.38Å

Retrieved 545 of 545 residues in 615.1 ms (Link to these results)

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