A0A087XRN1_POEFO Loading...

Fibronectin leucine rich transmembrane protein 2

AlphaFold DB , UniProt , Accession A0A087XRN1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 651 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.8	Very low	43.5	Very low	232 Å²	232	182.8 Å²	182.8	100%	1.143	85%	0.85	S	S	*	*				0	97.5	0	-66.8	-73.4	-85.3	0	0	104.9
2	E	43.2	Very low	43.7	Very low	176 Å²	176	183.4 Å²	183.4	82%	0.822	84%	0.839	S	S	*	*			cis	-144.3	-171.8	30.4	-69.6	176.3	136.6	0	0	109.1
3	I	35.8	Very low	44.4	Very low	160 Å²	160	177.5 Å²	177.5	82%	0.821	82%	0.824	S	S	*	*			trans	94.3	34	-174.1	-41.1	153.5	0	0	0	113.4
4	L	44.6	Very low	45.1	Very low	161 Å²	161	170.4 Å²	170.4	84%	0.843	81%	0.805	S	S	*	*				-92.7	136.6	129.9	-106.2	90.7	0	0	0	105.7
5	W	38.3	Very low	45.8	Very low	248 Å²	248	167.8 Å²	167.8	94%	0.939	80%	0.797	S	S	*	*	S	Bend	trans	111.8	36.1	178.9	-70.6	61.2	0	0	0	118.2
6	R	36.9	Very low	46.4	Very low	236 Å²	236	161.3 Å²	161.3	89%	0.891	77%	0.771	S	S	*	*			trans	-142	46.5	162.6	-81.2	-160.7	177.7	-168.2	1.3	114.7
7	L	37.2	Very low	47	Very low	173 Å²	173	163 Å²	163	91%	0.906	77%	0.768	S	S	*	*	S	Bend	trans	-127.1	27.1	168.2	-91.4	158.3	0	0	0	112.4
8	W	47.5	Very low	47.5	Very low	222 Å²	222	157.7 Å²	157.7	84%	0.841	75%	0.75	S	S	*	*			trans	-138.4	90.7	172.5	-125.5	58.7	0	0	0	109.8	W12	W8-W12 HydrophobicContact CZ2-CZ3 4.45Å
9	S	48.8	Very low	48	Very low	107 Å²	107	157.4 Å²	157.4	75%	0.748	74%	0.741	S	S	*	*	S	Bend	trans	167.5	142.9	140.5	57.6	0	0	0	0	108.3
10	K	46.9	Very low	48.6	Very low	189 Å²	189	153.9 Å²	153.9	82%	0.822	73%	0.726	S	S	*	*	S	Bend	trans	85	80.6	-178.7	-53.6	-179.9	177.6	-178	0	113.6
11	D	51.6	Low	49.1	Very low	107 Å²	107	150.5 Å²	150.5	57%	0.572	72%	0.717	S	S	*	*				162.5	21.8	127.7	-81.2	-10	0	0	0	113.9	T13 S14 L15	D11-T13 PolarHBondContact O-N 3.33Å; D11-S14 WeakPolarHBondContact O-CB 3.48Å; D11-S14 PolarHBondContact O-N 2.98Å; D11-S14 VanDerWaalsContact O-N 3.08Å; D11-L15 PolarHBondContact O-N 3.2Å
12	W	46.3	Very low	49.7	Very low	190 Å²	190	143.5 Å²	143.5	72%	0.72	68%	0.683	S	S	*	*	H	α-helix	trans	-60.5	-29.1	167.4	-144.6	-62.4	0	0	0	112.4	W8 S14 V16	W8-W12 HydrophobicContact CZ2-CZ3 4.45Å; W12-S14 VanDerWaalsContact C-N 3.27Å; W12-S14 PolarHBondContact O-N 2.74Å; W12-V16 WeakPolarHBondContact O-CG2 3.2Å; W12-V16 PolarHBondContact O-N 3.31Å
13	T	51.8	Low	50.2	Low	106 Å²	106	140 Å²	140	65%	0.65	67%	0.67	S	S	*	*	H	α-helix	trans	-73	-16.1	176.8	50	0	0	0	0	113.7	D11 R17	D11-T13 PolarHBondContact O-N 3.33Å; T13-R17 WeakPolarHBondContact O-CB 3.1Å
14	S	54.8	Low	51	Low	78 Å²	78	137.1 Å²	137.1	55%	0.545	66%	0.656	S	S	.	*	H	α-helix	trans	-87	-37.1	178	-179	0	0	0	0	111.7	D11 W12 P18	D11-S14 WeakPolarHBondContact O-CB 3.48Å; D11-S14 PolarHBondContact O-N 2.98Å; D11-S14 VanDerWaalsContact O-N 3.08Å; W12-S14 VanDerWaalsContact C-N 3.27Å; W12-S14 PolarHBondContact O-N 2.74Å; S14-P18 WeakPolarHBondContact O-CD 3.07Å
15	L	55.2	Low	51.4	Low	132 Å²	132	131 Å²	131	69%	0.691	63%	0.631	S	S	*	*	H	α-helix	trans	-78.9	-28.7	-178.8	-104.3	144.9	0	0	0	114.1	D11 W19	D11-L15 PolarHBondContact O-N 3.2Å; L15-W19 VanDerWaalsContact O-CD1 3.24Å
16	V	55.4	Low	51.9	Low	63 Å²	63	124.9 Å²	124.9	38%	0.382	62%	0.616	S	S	.	*	H	α-helix	trans	-94.4	-24.6	-177	-173.7	0	0	0	0	112.5	W12 W19 I20	W12-V16 WeakPolarHBondContact O-CG2 3.2Å; W12-V16 PolarHBondContact O-N 3.31Å; V16-W19 PolarHBondContact O-N 3.42Å; V16-W19 VanDerWaalsContact O-N 3.08Å; V16-I20 HydrophobicContact CG1-CD1 4.32Å; V16-I20 HydrophobicContact CG1-CG1 4.18Å; V16-I20 WeakPolarHBondContact O-CG1 3.4Å; V16-I20 PolarHBondContact O-N 3.03Å; V16-I20 VanDerWaalsContact O-N 3.13Å
17	R	56.3	Low	52.2	Low	191 Å²	191	120.6 Å²	120.6	72%	0.721	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.3	-39.5	-178.4	-114.9	178.5	169.4	174.5	-3.3	116.3	T13 W19 P21	T13-R17 WeakPolarHBondContact O-CB 3.1Å; R17-W19 VanDerWaalsContact C-N 3.28Å; R17-P21 WeakPolarHBondContact O-CD 3.46Å
18	P	57.1	Low	52.6	Low	68 Å²	68	118 Å²	118	44%	0.442	59%	0.592	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.8	-17.8	177.8	27	-30	0	0	0	112.6	S14 P21 I22	S14-P18 WeakPolarHBondContact O-CD 3.07Å; P18-P21 WeakPolarHBondContact O-CD 3.4Å; P18-I22 WeakPolarHBondContact O-CD1 3.44Å; P18-I22 WeakPolarHBondContact O-CG1 3.22Å
19	W	56	Low	52.4	Low	151 Å²	151	115.5 Å²	115.5	57%	0.572	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-20.3	176.3	-64	84.7	0	0	0	113	L15 V16 R17 I22 L23	L15-W19 VanDerWaalsContact O-CD1 3.24Å; V16-W19 PolarHBondContact O-N 3.42Å; V16-W19 VanDerWaalsContact O-N 3.08Å; R17-W19 VanDerWaalsContact C-N 3.28Å; W19-I22 CarbonylContact O-C 3.6Å; W19-I22 PolarHBondContact O-N 2.89Å; W19-L23 HydrophobicContact CB-CD1 4.33Å; W19-L23 VanDerWaalsContact O-CB 3.27Å; W19-L23 WeakPolarHBondContact O-CB 2.99Å; W19-L23 PolarHBondContact O-N 2.9Å
20	I	61.4	Low	52.2	Low	87 Å²	87	119.7 Å²	119.7	45%	0.446	60%	0.595	S	S	.	*	H	α-helix	trans	-60.2	-46.7	174.6	-67.4	168	0	0	0	112.3	V16 I22 L24	V16-I20 HydrophobicContact CG1-CD1 4.32Å; V16-I20 HydrophobicContact CG1-CG1 4.18Å; V16-I20 WeakPolarHBondContact O-CG1 3.4Å; V16-I20 PolarHBondContact O-N 3.03Å; V16-I20 VanDerWaalsContact O-N 3.13Å; I20-I22 VanDerWaalsContact C-N 3.31Å; I20-I22 PolarHBondContact O-N 3.22Å; I20-L24 HydrophobicContact CG2-CD1 3.69Å; I20-L24 VanDerWaalsContact O-CB 3.24Å; I20-L24 WeakPolarHBondContact O-CB 3.4Å; I20-L24 WeakPolarHBondContact O-CD1 3.13Å; I20-L24 PolarHBondContact O-N 3.37Å
21	P	58.6	Low	52	Low	83 Å²	83	114.2 Å²	114.2	54%	0.539	58%	0.581	S	S	.	*	H	α-helix	trans	-74.4	-19	174.9	28.6	-33.5	0	0	0	113.3	R17 P18 G25	R17-P21 WeakPolarHBondContact O-CD 3.46Å; P18-P21 WeakPolarHBondContact O-CD 3.4Å; P21-G25 VanDerWaalsContact O-CA 3.28Å; P21-G25 WeakPolarHBondContact O-CA 3.28Å; P21-G25 PolarHBondContact O-N 3.38Å
22	I	59.7	Low	51.5	Low	86 Å²	86	120.5 Å²	120.5	44%	0.441	60%	0.596	S	S	.	*	H	α-helix	trans	-82.1	-36.7	174.9	-63.1	172	0	0	0	110.8	P18 W19 I20 G25 L26	P18-I22 WeakPolarHBondContact O-CD1 3.44Å; P18-I22 WeakPolarHBondContact O-CG1 3.22Å; W19-I22 CarbonylContact O-C 3.6Å; W19-I22 PolarHBondContact O-N 2.89Å; I20-I22 VanDerWaalsContact C-N 3.31Å; I20-I22 PolarHBondContact O-N 3.22Å; I22-G25 PolarHBondContact O-N 3.18Å; I22-L26 HydrophobicContact CG2-CD1 3.96Å; I22-L26 VanDerWaalsContact O-CB 3.23Å; I22-L26 WeakPolarHBondContact O-CB 3.49Å; I22-L26 WeakPolarHBondContact O-CD1 3.01Å; I22-L26 WeakPolarHBondContact O-CG 3.41Å; I22-L26 PolarHBondContact O-N 3.38Å
23	L	53.8	Low	51.5	Low	102 Å²	102	115.6 Å²	115.6	53%	0.534	60%	0.596	S	S	.	*	H	α-helix	trans	-76.3	-36.5	171.7	-83.4	154.9	0	0	0	111.7	W19 G25 H27	W19-L23 HydrophobicContact CB-CD1 4.33Å; W19-L23 VanDerWaalsContact O-CB 3.27Å; W19-L23 WeakPolarHBondContact O-CB 2.99Å; W19-L23 PolarHBondContact O-N 2.9Å; L23-G25 VanDerWaalsContact C-N 3.34Å; L23-H27 WeakPolarHBondContact O-CB 2.84Å; L23-H27 PolarHBondContact O-N 3.26Å
24	L	52.9	Low	51.8	Low	100 Å²	100	114.3 Å²	114.3	52%	0.524	59%	0.592	S	S	.	*	H	α-helix	trans	-67.4	-35.6	165.7	-95.5	88.3	0	0	0	110.9	I20 H27 L28	I20-L24 HydrophobicContact CG2-CD1 3.69Å; I20-L24 VanDerWaalsContact O-CB 3.24Å; I20-L24 WeakPolarHBondContact O-CB 3.4Å; I20-L24 WeakPolarHBondContact O-CD1 3.13Å; I20-L24 PolarHBondContact O-N 3.37Å; L24-H27 CarbonylContact O-C 3.26Å; L24-H27 PolarHBondContact O-N 3.27Å; L24-L28 HydrophobicContact CB-CD1 4.43Å; L24-L28 WeakPolarHBondContact O-CB 3.36Å; L24-L28 VanDerWaalsContact O-CD1 3.3Å; L24-L28 WeakPolarHBondContact O-CD1 2.96Å; L24-L28 WeakPolarHBondContact O-CG 3.23Å; L24-L28 PolarHBondContact O-N 3.48Å
25	G	52.4	Low	52.6	Low	32 Å²	32	115.9 Å²	115.9	33%	0.33	59%	0.594	S	S	.	*	H	α-helix	trans	-70.6	-36.2	176.7	0	0	0	0	0	113.5	P21 I22 L23 L28 Q29	P21-G25 VanDerWaalsContact O-CA 3.28Å; P21-G25 WeakPolarHBondContact O-CA 3.28Å; P21-G25 PolarHBondContact O-N 3.38Å; I22-G25 PolarHBondContact O-N 3.18Å; L23-G25 VanDerWaalsContact C-N 3.34Å; G25-L28 CarbonylContact O-C 3.53Å; G25-L28 PolarHBondContact O-N 2.81Å; G25-Q29 PolarHBondContact O-N 3.31Å; G25-Q29 VanDerWaalsContact O-N 3.15Å
26	L	48.5	Very low	54.2	Low	120 Å²	120	111.5 Å²	111.5	63%	0.628	57%	0.574	S	S	*	*	H	α-helix	trans	-74.5	-26.7	171	-83.3	155.3	0	0	0	111.9	I22	I22-L26 HydrophobicContact CG2-CD1 3.96Å; I22-L26 VanDerWaalsContact O-CB 3.23Å; I22-L26 WeakPolarHBondContact O-CB 3.49Å; I22-L26 WeakPolarHBondContact O-CD1 3.01Å; I22-L26 WeakPolarHBondContact O-CG 3.41Å; I22-L26 PolarHBondContact O-N 3.38Å
27	H	43.8	Very low	56	Low	145 Å²	145	108.8 Å²	108.8	67%	0.671	56%	0.558	S	S	*	*	H	α-helix	trans	-79.6	-22.4	166.1	-96.5	-55.1	0	0	0	113.9	L23 L24 F30	L23-H27 WeakPolarHBondContact O-CB 2.84Å; L23-H27 PolarHBondContact O-N 3.26Å; L24-H27 CarbonylContact O-C 3.26Å; L24-H27 PolarHBondContact O-N 3.27Å; H27-F30 PolarHBondContact O-N 2.91Å
28	L	45.2	Very low	57.6	Low	118 Å²	118	109 Å²	109	62%	0.618	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.5	0.3	177.4	-78.2	160.8	0	0	0	113.5	L24 G25	L24-L28 HydrophobicContact CB-CD1 4.43Å; L24-L28 WeakPolarHBondContact O-CB 3.36Å; L24-L28 VanDerWaalsContact O-CD1 3.3Å; L24-L28 WeakPolarHBondContact O-CD1 2.96Å; L24-L28 WeakPolarHBondContact O-CG 3.23Å; L24-L28 PolarHBondContact O-N 3.48Å; G25-L28 CarbonylContact O-C 3.53Å; G25-L28 PolarHBondContact O-N 2.81Å
29	Q	43.9	Very low	59.3	Low	170 Å²	170	110.5 Å²	110.5	79%	0.794	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	8.5	161.7	-72.3	-158.1	-19.2	0	0	113.6	G25	G25-Q29 PolarHBondContact O-N 3.31Å; G25-Q29 VanDerWaalsContact O-N 3.15Å
30	F	45.5	Very low	61.2	Low	195 Å²	195	103.9 Å²	103.9	86%	0.855	55%	0.545	S	S	*	.	S	Bend	trans	-133.2	55.5	171.1	-115.5	-90.7	0	0	0	110.7	H27	H27-F30 PolarHBondContact O-N 2.91Å
31	S	41.2	Very low	62.8	Low	74 Å²	74	107.5 Å²	107.5	52%	0.517	55%	0.553	S	S	.	*			trans	-146.2	65.2	170.8	61.8	0	0	0	0	111.4
32	R	42.5	Very low	64.5	Low	239 Å²	239	105 Å²	105	90%	0.902	54%	0.537	S	S	*	.			trans	-90.9	94.8	133.3	-86.9	-176.7	178.5	168.1	-0.4	104.5	S34	R32-S34 PolarHBondContact O-N 3.43Å
33	A	44.8	Very low	66	Low	87 Å²	87	104.3 Å²	104.3	72%	0.719	53%	0.534	S	S	*	.			trans	-60.3	92	162.5	0	0	0	0	0	105.8	N35	A33-N35 PolarHBondContact O-N 3Å; A33-N35 VanDerWaalsContact O-N 3.1Å
34	S	59.6	Low	67.7	Low	80 Å²	80	109.7 Å²	109.7	56%	0.559	55%	0.547	S	S	*	.			trans	-58	109.2	165.9	42.8	0	0	0	0	105.7	R32 C36 Y65	R32-S34 PolarHBondContact O-N 3.43Å; S34-C36 PolarHBondContact O-N 3.37Å; S34-Y65 WeakPolarHBondContact CB-OH 3.11Å
35	N	71.9	Confident	69.7	Low	111 Å²	111	107.2 Å²	107.2	59%	0.594	54%	0.536	S	S	*	.			trans	-64.1	75.6	166	-68.2	-16.7	0	0	0	106.8	A33 G60	A33-N35 PolarHBondContact O-N 3Å; A33-N35 VanDerWaalsContact O-N 3.1Å; N35-G60 CarbonylContact C-O 3.08Å; N35-G60 VanDerWaalsContact CB-O 3.23Å; N35-G60 WeakPolarHBondContact CB-O 3.31Å
36	C	88.7	Confident	71.7	Confident	39 Å²	39	108.8 Å²	108.8	26%	0.264	53%	0.534	S	S	.	.			trans	-89.8	126.5	173.7	-169.4	0	0	0	0	106.7	S34 C42	S34-C36 PolarHBondContact O-N 3.37Å; C36-C42 WeakPolarHBondContact CA-SG 3.14Å; C36-C42 HydrophobicContact CB-CB 3.71Å; C36-C42 WeakPolarHBondContact CB-SG 3.19Å; C36-C42 WeakPolarHBondContact SG-CB 3.16Å; C36-C42 PolarHBondContact SG-N 3.18Å; C36-C42 CovalentContact SG-SG 2.03Å; C36-C42 PolarHBondContact SG-SG 3.35Å
37	P	91.8	Very high	74	Confident	7 Å²	7	103 Å²	103	5%	0.045	50%	0.504	C	S	.	.			trans	-55.8	142.1	173.4	-20.6	30	0	0	0	110.9	E39 C40 P58 L59 I61	P37-E39 PolarHBondContact O-N 3.29Å; P37-C40 HydrophobicContact CB-CB 4.19Å; P37-C40 HydrophobicContact CG-CB 4.4Å; P37-C40 PolarHBondContact O-N 3.02Å; P37-C40 VanDerWaalsContact O-O 3.12Å; P37-P58 HydrophobicContact CB-CB 3.51Å; P37-P58 HydrophobicContact CB-CG 4.47Å; P37-P58 HydrophobicContact CG-CB 3.85Å; P37-L59 WeakPolarHBondContact CG-O 3.39Å; P37-I61 HydrophobicContact CG-CG1 3.74Å
38	E	91.1	Very high	76.6	Confident	194 Å²	194	99.6 Å²	99.6	91%	0.907	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-30.8	-178.6	-65.6	-168.6	167	0	0	111.9	C40	E38-C40 PolarHBondContact O-N 3.19Å
39	E	92.5	Very high	79.1	Confident	100 Å²	100	94 Å²	94	47%	0.467	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-11.5	177.5	-50.3	86	170.4	0	0	112.3	P37 R52 L54 P58	P37-E39 PolarHBondContact O-N 3.29Å; E39-R52 WeakPolarHBondContact O-CD 3.49Å; E39-R52 VanDerWaalsContact O-CZ 3.32Å; E39-R52 PolarHBondContact O-NE 2.83Å; E39-R52 PolarHBondContact O-NH1 3.46Å; E39-L54 HydrophobicContact CB-CD2 4.08Å; E39-P58 HydrophobicContact CB-CG 4.48Å
40	C	95.2	Very high	81.6	Confident	12 Å²	12	87.6 Å²	87.6	8%	0.081	43%	0.428	C	S	.	.	S	Bend	trans	-119.4	165	-173.8	-59.1	0	0	0	0	112.9	P37 E38 V47 C49	P37-C40 HydrophobicContact CB-CB 4.19Å; P37-C40 HydrophobicContact CG-CB 4.4Å; P37-C40 PolarHBondContact O-N 3.02Å; P37-C40 VanDerWaalsContact O-O 3.12Å; E38-C40 PolarHBondContact O-N 3.19Å; C40-V47 HydrophobicContact CB-CG1 4.4Å; C40-C49 HydrophobicContact CB-CB 4.17Å; C40-C49 WeakPolarHBondContact CB-SG 3.24Å; C40-C49 WeakPolarHBondContact SG-CB 3.5Å; C40-C49 CovalentContact SG-SG 2.03Å; C40-C49 PolarHBondContact SG-SG 2.79Å
41	R	94.8	Very high	84.1	Confident	163 Å²	163	84.4 Å²	84.4	62%	0.615	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.4	132.9	168.6	178.6	179	174.4	-175.3	-2.9	108.8	Y48	R41-Y48 PolarHBondContact N-O 3.23Å; R41-Y48 WeakPolarHBondContact O-CA 3.31Å; R41-Y48 WeakPolarHBondContact O-CB 3.02Å; R41-Y48 WeakPolarHBondContact O-CD2 3.31Å; R41-Y48 PolarHBondContact O-N 3.14Å
42	C	94	Very high	86.7	Confident	31 Å²	31	86 Å²	86	21%	0.209	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	139.2	176.3	-50.8	0	0	0	0	110.1	C36 F46 Y65	C36-C42 WeakPolarHBondContact CA-SG 3.14Å; C36-C42 HydrophobicContact CB-CB 3.71Å; C36-C42 WeakPolarHBondContact CB-SG 3.19Å; C36-C42 WeakPolarHBondContact SG-CB 3.16Å; C36-C42 PolarHBondContact SG-N 3.18Å; C36-C42 CovalentContact SG-SG 2.03Å; C36-C42 PolarHBondContact SG-SG 3.35Å; C42-F46 WeakPolarHBondContact CA-O 3.37Å; C42-Y65 HydrophobicContact CB-CE1 3.83Å; C42-Y65 WeakPolarHBondContact CB-OH 3.39Å
43	D	92.3	Very high	89.3	Confident	72 Å²	72	78.4 Å²	78.4	39%	0.385	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	120.6	176.2	-171.1	6	0	0	0	109.5	T45 F46 Y48	D43-T45 PolarHBondContact O-N 3.16Å; D43-F46 PolarHBondContact N-O 3.46Å; D43-F46 WeakPolarHBondContact O-CB 3.35Å; D43-F46 WeakPolarHBondContact O-CD2 3.4Å; D43-F46 PolarHBondContact O-N 3.22Å; D43-Y48 HydrophobicContact CB-CE2 4.08Å
44	R	90.1	Very high	91.8	Very high	215 Å²	215	75.4 Å²	75.4	81%	0.811	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	-106.3	-176.6	-60.6	167.4	-175.2	-178.7	0.1	111.8
45	T	93.2	Very high	93.6	Very high	47 Å²	47	75.5 Å²	75.5	29%	0.288	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	10.6	-177.5	56.2	0	0	0	0	112.7	D43 K66 T67	D43-T45 PolarHBondContact O-N 3.16Å; T45-K66 HydrophobicContact CG2-CG 4.36Å; T45-K66 PolarHBondContact O-N 2.98Å; T45-T67 PolarHBondContact O-N 3.39Å
46	F	96	Very high	94.8	Very high	65 Å²	65	72.9 Å²	72.9	29%	0.285	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	138.7	-176	-56.4	-84.4	0	0	0	111.1	C42 D43 Y48 T67 Y69	C42-F46 WeakPolarHBondContact CA-O 3.37Å; D43-F46 PolarHBondContact N-O 3.46Å; D43-F46 WeakPolarHBondContact O-CB 3.35Å; D43-F46 WeakPolarHBondContact O-CD2 3.4Å; D43-F46 PolarHBondContact O-N 3.22Å; F46-Y48 HydrophobicContact CB-CD2 4.4Å; F46-Y48 HydrophobicContact CB-CE2 3.61Å; F46-T67 WeakPolarHBondContact CA-O 3.18Å; F46-T67 HydrophobicContact CD1-CG2 4.2Å; F46-Y69 HydrophobicContact CB-CE2 4.31Å; F46-Y69 AromaticContact CD1-CE2 3.85Å; F46-Y69 HydrophobicContact CD1-CE2 3.85Å; F46-Y69 HydrophobicContact CG-CE2 4.49Å
47	V	96.2	Very high	95.2	Very high	0 Å²	0	71.2 Å²	71.2	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	118.8	173.4	-177.3	0	0	0	0	108.9	C40 C49 I61 Y65 T67 I68 Y69	C40-V47 HydrophobicContact CB-CG1 4.4Å; V47-C49 VanDerWaalsContact CG1-SG 3.56Å; V47-I61 HydrophobicContact CG1-CD1 4.45Å; V47-Y65 HydrophobicContact CG2-CD1 3.43Å; V47-Y65 VanDerWaalsContact CG2-CD1 3.43Å; V47-Y65 HydrophobicContact CG2-CD2 3.54Å; V47-Y65 HydrophobicContact CG2-CE1 3.8Å; V47-Y65 HydrophobicContact CG2-CE2 3.88Å; V47-Y65 HydrophobicContact CG2-CG 3.29Å; V47-T67 PolarHBondContact N-O 3.19Å; V47-I68 HydrophobicContact CB-CG1 4.48Å; V47-I68 HydrophobicContact CB-CG2 4.45Å; V47-Y69 WeakPolarHBondContact O-CD2 3.44Å; V47-Y69 PolarHBondContact O-N 3.33Å
48	Y	97.6	Very high	95.3	Very high	72 Å²	72	71.3 Å²	71.3	28%	0.282	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	93.4	-178.7	-57.6	-85.3	0	0	0	110.6	R41 D43 F46 R52 Y69	R41-Y48 PolarHBondContact N-O 3.23Å; R41-Y48 WeakPolarHBondContact O-CA 3.31Å; R41-Y48 WeakPolarHBondContact O-CB 3.02Å; R41-Y48 WeakPolarHBondContact O-CD2 3.31Å; R41-Y48 PolarHBondContact O-N 3.14Å; D43-Y48 HydrophobicContact CB-CE2 4.08Å; F46-Y48 HydrophobicContact CB-CD2 4.4Å; F46-Y48 HydrophobicContact CB-CE2 3.61Å; Y48-R52 PolarHBondContact O-NE 2.02Å; Y48-Y69 AromaticContact CD1-CD2 3.58Å; Y48-Y69 HydrophobicContact CD1-CD2 3.58Å; Y48-Y69 HydrophobicContact CD1-CE2 4.05Å; Y48-Y69 HydrophobicContact CD1-CG 4.22Å; Y48-Y69 AromaticContact CE1-CD2 3.61Å; Y48-Y69 HydrophobicContact CE1-CD2 3.61Å; Y48-Y69 AromaticContact CE1-CE2 3.55Å; Y48-Y69 HydrophobicContact CE1-CE2 3.55Å; Y48-Y69 HydrophobicContact CE1-CG 4.47Å; Y48-Y69 HydrophobicContact CG-CD2 4.34Å
49	C	97.3	Very high	95.3	Very high	0 Å²	0	68 Å²	68	0%	0	33%	0.33	C	S	.	.			trans	-111.6	9.6	174.2	-60.5	0	0	0	0	112.1	C40 V47 L54 Y69 L70 N73	C40-C49 HydrophobicContact CB-CB 4.17Å; C40-C49 WeakPolarHBondContact CB-SG 3.24Å; C40-C49 WeakPolarHBondContact SG-CB 3.5Å; C40-C49 CovalentContact SG-SG 2.03Å; C40-C49 PolarHBondContact SG-SG 2.79Å; V47-C49 VanDerWaalsContact CG1-SG 3.56Å; C49-L54 HydrophobicContact CB-CD1 3.8Å; C49-L54 VanDerWaalsContact O-CD1 3.32Å; C49-L54 WeakPolarHBondContact O-CD1 3.35Å; C49-Y69 CarbonylContact C-O 3.48Å; C49-Y69 VanDerWaalsContact C-O 3.25Å; C49-Y69 VanDerWaalsContact CA-O 3.25Å; C49-Y69 WeakPolarHBondContact CA-O 3.41Å; C49-Y69 WeakPolarHBondContact CB-O 3.48Å; C49-Y69 PolarHBondContact N-O 3.25Å; C49-L70 HydrophobicContact CB-CD2 3.57Å; C49-L70 HydrophobicContact CB-CG 4.32Å; C49-N73 PolarHBondContact O-ND2 3.38Å
50	N	97.6	Very high	95	Very high	36 Å²	36	65.3 Å²	65.3	19%	0.193	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	153.1	-179	62	-74.1	0	0	0	113	R52 Y69 H71	N50-R52 VanDerWaalsContact C-N 3.32Å; N50-R52 WeakPolarHBondContact O-CG 3.35Å; N50-R52 PolarHBondContact O-N 2.87Å; N50-Y69 PolarHBondContact N-O 2.83Å; N50-Y69 VanDerWaalsContact N-O 3.08Å; N50-H71 WeakPolarHBondContact CA-O 3.1Å; N50-H71 VanDerWaalsContact CB-CE1 3.44Å; N50-H71 WeakPolarHBondContact CB-CE1 3.15Å; N50-H71 WeakPolarHBondContact CB-NE2 3.43Å; N50-H71 WeakPolarHBondContact CB-O 3.14Å
51	E	97.4	Very high	94.7	Very high	128 Å²	128	65.5 Å²	65.5	60%	0.598	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	36.8	172.3	-63	174	-157.1	0	0	114.8	H71 N72	E51-H71 PolarHBondContact N-O 3.07Å; E51-N72 VanDerWaalsContact CA-O 3.27Å; E51-N72 WeakPolarHBondContact CA-O 3.43Å; E51-N72 HydrophobicContact CG-CB 3.59Å; E51-N72 PolarHBondContact N-O 3.32Å; E51-N72 PolarHBondContact OE1-ND2 3.44Å
52	R	96.5	Very high	94.3	Very high	109 Å²	109	58.7 Å²	58.7	41%	0.411	31%	0.31	S	S	.	.	S	Bend	trans	-117.7	8	-174.6	-75.2	164.2	-175.2	-86.4	-2.6	113.4	E39 Y48 N50 L54 N73	E39-R52 WeakPolarHBondContact O-CD 3.49Å; E39-R52 VanDerWaalsContact O-CZ 3.32Å; E39-R52 PolarHBondContact O-NE 2.83Å; E39-R52 PolarHBondContact O-NH1 3.46Å; Y48-R52 PolarHBondContact O-NE 2.02Å; N50-R52 VanDerWaalsContact C-N 3.32Å; N50-R52 WeakPolarHBondContact O-CG 3.35Å; N50-R52 PolarHBondContact O-N 2.87Å; R52-L54 HydrophobicContact CB-CD1 4.24Å; R52-L54 HydrophobicContact CB-CD2 4.33Å; R52-L54 HydrophobicContact CB-CG 3.84Å; R52-L54 PolarHBondContact O-N 3Å; R52-N73 WeakPolarHBondContact CA-OD1 3.39Å; R52-N73 PolarHBondContact N-OD1 3.24Å
53	S	97.1	Very high	94.2	Very high	79 Å²	79	62.8 Å²	62.8	55%	0.552	33%	0.326	S	S	*	.			trans	54.4	33.3	-175.6	-54.8	0	0	0	0	113	N73	S53-N73 PolarHBondContact N-OD1 2.86Å
54	L	97.4	Very high	94	Very high	23 Å²	23	61.6 Å²	61.6	12%	0.12	33%	0.331	C	S	.	.			trans	-69.1	136.1	178.7	-62.2	172.6	0	0	0	110	E39 C49 R52 P58 N73 Q74 I75	E39-L54 HydrophobicContact CB-CD2 4.08Å; C49-L54 HydrophobicContact CB-CD1 3.8Å; C49-L54 VanDerWaalsContact O-CD1 3.32Å; C49-L54 WeakPolarHBondContact O-CD1 3.35Å; R52-L54 HydrophobicContact CB-CD1 4.24Å; R52-L54 HydrophobicContact CB-CD2 4.33Å; R52-L54 HydrophobicContact CB-CG 3.84Å; R52-L54 PolarHBondContact O-N 3Å; L54-P58 HydrophobicContact CD1-CG 3.83Å; L54-P58 HydrophobicContact CD2-CG 4.32Å; L54-N73 HydrophobicContact CB-CB 4.26Å; L54-N73 PolarHBondContact N-OD1 3.27Å; L54-Q74 CarbonylContact O-C 2.96Å; L54-Q74 WeakPolarHBondContact O-CA 3.38Å; L54-Q74 PolarHBondContact O-N 3.27Å; L54-I75 HydrophobicContact CB-CG1 4.37Å; L54-I75 WeakPolarHBondContact O-CG1 3.38Å; L54-I75 PolarHBondContact O-N 3.09Å
55	T	97.2	Very high	94.1	Very high	82 Å²	82	51.9 Å²	51.9	50%	0.503	29%	0.294	S	S	.	.	S	Bend	trans	-94.7	-12.6	174	55.7	0	0	0	0	113.1	Q74	T55-Q74 WeakPolarHBondContact CA-O 3.21Å; T55-Q74 HydrophobicContact CG2-CB 4.4Å
56	S	97.2	Very high	94.3	Very high	56 Å²	56	54.4 Å²	54.4	39%	0.392	30%	0.301	S	S	.	.	S	Bend	trans	-148.6	156.8	179.3	57	0	0	0	0	110.6	P58	S56-P58 WeakPolarHBondContact O-CD 3.34Å
57	V	96.9	Very high	94.3	Very high	4 Å²	4	52.1 Å²	52.1	2%	0.024	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-65.7	125.8	171.9	-176.9	0	0	0	0	108.9	I61 L70 I75 G79 F80 P81 L84	V57-I61 HydrophobicContact CG1-CD1 3.83Å; V57-L70 HydrophobicContact CG1-CD1 4.04Å; V57-L70 HydrophobicContact CG1-CD2 4.22Å; V57-L70 HydrophobicContact CG2-CD1 3.95Å; V57-L70 HydrophobicContact CG2-CD2 4.38Å; V57-I75 HydrophobicContact CG2-CD1 4.34Å; V57-I75 HydrophobicContact CG2-CG2 4.47Å; V57-G79 PolarHBondContact N-O 3.37Å; V57-F80 HydrophobicContact CG2-CD1 4.05Å; V57-F80 HydrophobicContact CG2-CE1 4.07Å; V57-P81 HydrophobicContact CB-CG 4.45Å; V57-L84 HydrophobicContact CG1-CD1 4.49Å; V57-L84 HydrophobicContact CG1-CD2 4.16Å; V57-L84 HydrophobicContact CG2-CD2 4.46Å
58	P	94.1	Very high	94.4	Very high	10 Å²	10	52.1 Å²	52.1	7%	0.065	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-63.8	145.1	-178	-28.6	40	0	0	0	113.3	P37 E39 L54 S56	P37-P58 HydrophobicContact CB-CB 3.51Å; P37-P58 HydrophobicContact CB-CG 4.47Å; P37-P58 HydrophobicContact CG-CB 3.85Å; E39-P58 HydrophobicContact CB-CG 4.48Å; L54-P58 HydrophobicContact CD1-CG 3.83Å; L54-P58 HydrophobicContact CD2-CG 4.32Å; S56-P58 WeakPolarHBondContact O-CD 3.34Å
59	L	91.3	Very high	94.4	Very high	125 Å²	125	51 Å²	51	65%	0.654	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	152.7	173.5	-62.8	174.6	0	0	0	110.3	P37 P81	P37-L59 WeakPolarHBondContact CG-O 3.39Å; L59-P81 HydrophobicContact CD2-CB 3.77Å; L59-P81 HydrophobicContact CD2-CG 4.17Å
60	G	85.3	Confident	94.5	Very high	43 Å²	43	51.1 Å²	51.1	44%	0.443	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.1	-6.2	175.1	0	0	0	0	0	115.1	N35 G62	N35-G60 CarbonylContact C-O 3.08Å; N35-G60 VanDerWaalsContact CB-O 3.23Å; N35-G60 WeakPolarHBondContact CB-O 3.31Å; G60-G62 PolarHBondContact O-N 3.23Å
61	I	90.3	Very high	94.5	Very high	16 Å²	16	50.1 Å²	50.1	8%	0.082	28%	0.283	C	S	.	.			trans	-62.2	107.3	170.2	-57.3	177.9	0	0	0	109.1	P37 V47 V57 Y65 I68 V87	P37-I61 HydrophobicContact CG-CG1 3.74Å; V47-I61 HydrophobicContact CG1-CD1 4.45Å; V57-I61 HydrophobicContact CG1-CD1 3.83Å; I61-Y65 HydrophobicContact CG2-CD2 4.36Å; I61-I68 HydrophobicContact CD1-CD1 4.47Å; I61-I68 HydrophobicContact CD1-CG2 4.43Å; I61-I68 HydrophobicContact CG2-CD1 3.84Å; I61-V87 WeakPolarHBondContact O-CG2 3.22Å
62	G	86.4	Confident	94.6	Very high	20 Å²	20	47.1 Å²	47.1	21%	0.206	27%	0.271	C	S	.	.			trans	-110.2	-171.2	-177.6	0	0	0	0	0	114.4	G60 Y65 V87	G60-G62 PolarHBondContact O-N 3.23Å; G62-Y65 WeakPolarHBondContact O-CD2 3.34Å; G62-V87 WeakPolarHBondContact O-CG1 3.13Å
63	E	90.7	Very high	94.7	Very high	117 Å²	117	42.4 Å²	42.4	55%	0.547	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	148.9	177.3	-68.9	-68.1	170.9	0	0	113	A88 S89	E63-A88 PolarHBondContact OE1-N 3.2Å; E63-S89 WeakPolarHBondContact OE2-CB 3.32Å; E63-S89 PolarHBondContact OE2-N 2.81Å; E63-S89 PolarHBondContact OE2-OG 2.8Å
64	G	89.1	Confident	94.7	Very high	47 Å²	47	42.5 Å²	42.5	49%	0.485	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	106.9	-11.5	176.7	0	0	0	0	0	114.3	S89	G64-S89 PolarHBondContact N-OG 3.39Å
65	Y	92.6	Very high	94.8	Very high	11 Å²	11	41.4 Å²	41.4	4%	0.043	24%	0.24	C	C	.	.			trans	-90	135.1	170.8	-59.1	-63.2	0	0	0	111.1	S34 C42 V47 I61 G62 S89 V90	S34-Y65 WeakPolarHBondContact CB-OH 3.11Å; C42-Y65 HydrophobicContact CB-CE1 3.83Å; C42-Y65 WeakPolarHBondContact CB-OH 3.39Å; V47-Y65 HydrophobicContact CG2-CD1 3.43Å; V47-Y65 VanDerWaalsContact CG2-CD1 3.43Å; V47-Y65 HydrophobicContact CG2-CD2 3.54Å; V47-Y65 HydrophobicContact CG2-CE1 3.8Å; V47-Y65 HydrophobicContact CG2-CE2 3.88Å; V47-Y65 HydrophobicContact CG2-CG 3.29Å; I61-Y65 HydrophobicContact CG2-CD2 4.36Å; G62-Y65 WeakPolarHBondContact O-CD2 3.34Å; Y65-S89 PolarHBondContact N-OG 2.03Å; Y65-S89 CarbonylContact O-C 3.2Å; Y65-S89 WeakPolarHBondContact O-CB 3.29Å; Y65-S89 PolarHBondContact O-OG 3.45Å; Y65-V90 WeakPolarHBondContact O-CA 3.23Å; Y65-V90 WeakPolarHBondContact O-CG2 3.27Å; Y65-V90 PolarHBondContact O-N 3.01Å
66	K	95.6	Very high	94.8	Very high	99 Å²	99	40.5 Å²	40.5	43%	0.43	23%	0.232	S	C	.	.			trans	-97.8	-32.9	176.7	-70	-166.8	169.7	-149.2	0	112.6	T45 E91 T92	T45-K66 HydrophobicContact CG2-CG 4.36Å; T45-K66 PolarHBondContact O-N 2.98Å; K66-E91 PolarHBondContact O-N 3.03Å; K66-T92 PolarHBondContact O-N 3.26Å; K66-T92 VanDerWaalsContact O-N 3.13Å
67	T	97.6	Very high	94.8	Very high	17 Å²	17	39.6 Å²	39.6	10%	0.104	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	132.1	-172.4	-54.4	0	0	0	0	110.8	T45 F46 V47 Y69 T92 Y94	T45-T67 PolarHBondContact O-N 3.39Å; F46-T67 WeakPolarHBondContact CA-O 3.18Å; F46-T67 HydrophobicContact CD1-CG2 4.2Å; V47-T67 PolarHBondContact N-O 3.19Å; T67-Y69 HydrophobicContact CG2-CD2 4.37Å; T67-Y69 HydrophobicContact CG2-CE1 4.31Å; T67-Y69 HydrophobicContact CG2-CE2 3.81Å; T67-T92 WeakPolarHBondContact CA-O 3.32Å; T67-T92 HydrophobicContact CG2-CG2 4.26Å; T67-Y94 HydrophobicContact CG2-CD2 4.08Å; T67-Y94 HydrophobicContact CG2-CE2 3.74Å
68	I	97.4	Very high	94.7	Very high	1 Å²	1	44 Å²	44	1%	0.005	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	124.7	178.7	-56.3	177.2	0	0	0	109.3	V47 I61 L70 L84 V90 T92 Y94	V47-I68 HydrophobicContact CB-CG1 4.48Å; V47-I68 HydrophobicContact CB-CG2 4.45Å; I61-I68 HydrophobicContact CD1-CD1 4.47Å; I61-I68 HydrophobicContact CD1-CG2 4.43Å; I61-I68 HydrophobicContact CG2-CD1 3.84Å; I68-L70 HydrophobicContact CG2-CD1 3.48Å; I68-L70 VanDerWaalsContact CG2-CD1 3.48Å; I68-L70 HydrophobicContact CG2-CG 3.65Å; I68-L84 HydrophobicContact CD1-CD1 4.29Å; I68-V90 HydrophobicContact CD1-CB 4.38Å; I68-V90 HydrophobicContact CD1-CG1 3.84Å; I68-V90 HydrophobicContact CD1-CG2 3.66Å; I68-V90 HydrophobicContact CG1-CG1 4Å; I68-V90 HydrophobicContact CG1-CG2 4.08Å; I68-T92 PolarHBondContact N-O 3.48Å; I68-Y94 PolarHBondContact O-N 3.48Å
69	Y	98.5	Very high	94.8	Very high	49 Å²	49	43.7 Å²	43.7	19%	0.192	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	107.7	173.1	-59.6	-84.4	0	0	0	109.9	F46 V47 Y48 C49 N50 T67 Y94	F46-Y69 HydrophobicContact CB-CE2 4.31Å; F46-Y69 AromaticContact CD1-CE2 3.85Å; F46-Y69 HydrophobicContact CD1-CE2 3.85Å; F46-Y69 HydrophobicContact CG-CE2 4.49Å; V47-Y69 WeakPolarHBondContact O-CD2 3.44Å; V47-Y69 PolarHBondContact O-N 3.33Å; Y48-Y69 AromaticContact CD1-CD2 3.58Å; Y48-Y69 HydrophobicContact CD1-CD2 3.58Å; Y48-Y69 HydrophobicContact CD1-CE2 4.05Å; Y48-Y69 HydrophobicContact CD1-CG 4.22Å; Y48-Y69 AromaticContact CE1-CD2 3.61Å; Y48-Y69 HydrophobicContact CE1-CD2 3.61Å; Y48-Y69 AromaticContact CE1-CE2 3.55Å; Y48-Y69 HydrophobicContact CE1-CE2 3.55Å; Y48-Y69 HydrophobicContact CE1-CG 4.47Å; Y48-Y69 HydrophobicContact CG-CD2 4.34Å; C49-Y69 CarbonylContact C-O 3.48Å; C49-Y69 VanDerWaalsContact C-O 3.25Å; C49-Y69 VanDerWaalsContact CA-O 3.25Å; C49-Y69 WeakPolarHBondContact CA-O 3.41Å; C49-Y69 WeakPolarHBondContact CB-O 3.48Å; C49-Y69 PolarHBondContact N-O 3.25Å; N50-Y69 PolarHBondContact N-O 2.83Å; N50-Y69 VanDerWaalsContact N-O 3.08Å; T67-Y69 HydrophobicContact CG2-CD2 4.37Å; T67-Y69 HydrophobicContact CG2-CE1 4.31Å; T67-Y69 HydrophobicContact CG2-CE2 3.81Å; Y69-Y94 AromaticContact CD1-CD2 3.46Å; Y69-Y94 HydrophobicContact CD1-CD2 3.46Å; Y69-Y94 VanDerWaalsContact CD1-CD2 3.46Å; Y69-Y94 AromaticContact CD1-CE2 3.98Å; Y69-Y94 HydrophobicContact CD1-CE2 3.98Å; Y69-Y94 AromaticContact CD1-CG 3.97Å; Y69-Y94 HydrophobicContact CD1-CG 3.97Å; Y69-Y94 AromaticContact CE1-CD2 3.47Å; Y69-Y94 HydrophobicContact CE1-CD2 3.47Å; Y69-Y94 VanDerWaalsContact CE1-CD2 3.47Å; Y69-Y94 AromaticContact CE1-CE2 3.45Å; Y69-Y94 HydrophobicContact CE1-CE2 3.45Å; Y69-Y94 VanDerWaalsContact CE1-CE2 3.45Å; Y69-Y94 HydrophobicContact CE1-CG 4.23Å; Y69-Y94 HydrophobicContact CG-CD2 4.32Å
70	L	98.3	Very high	95	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.01	23%	0.23	C	C	.	.			trans	-122.5	9.1	178.6	-73.1	157.4	0	0	0	112.2	C49 V57 I68 N73 I75 Y94 L95 N98	C49-L70 HydrophobicContact CB-CD2 3.57Å; C49-L70 HydrophobicContact CB-CG 4.32Å; V57-L70 HydrophobicContact CG1-CD1 4.04Å; V57-L70 HydrophobicContact CG1-CD2 4.22Å; V57-L70 HydrophobicContact CG2-CD1 3.95Å; V57-L70 HydrophobicContact CG2-CD2 4.38Å; I68-L70 HydrophobicContact CG2-CD1 3.48Å; I68-L70 VanDerWaalsContact CG2-CD1 3.48Å; I68-L70 HydrophobicContact CG2-CG 3.65Å; L70-N73 PolarHBondContact O-ND2 3.49Å; L70-I75 HydrophobicContact CB-CD1 4.03Å; L70-I75 HydrophobicContact CD2-CD1 3.88Å; L70-I75 HydrophobicContact CG-CD1 4.46Å; L70-Y94 CarbonylContact C-O 3.2Å; L70-Y94 VanDerWaalsContact C-O 3.31Å; L70-Y94 VanDerWaalsContact CA-O 3.28Å; L70-Y94 WeakPolarHBondContact CA-O 3.29Å; L70-Y94 WeakPolarHBondContact CB-O 3.38Å; L70-Y94 PolarHBondContact N-O 2.77Å; L70-L95 HydrophobicContact CB-CD2 3.59Å; L70-L95 HydrophobicContact CB-CG 4.22Å; L70-L95 HydrophobicContact CD1-CD2 4Å; L70-L95 HydrophobicContact CD1-CG 4.49Å; L70-L95 HydrophobicContact CG-CD2 4.42Å; L70-N98 PolarHBondContact O-ND2 2.97Å
71	H	98.4	Very high	95.5	Very high	15 Å²	15	37.5 Å²	37.5	7%	0.069	22%	0.216	C	C	.	.			trans	-68.9	162.3	-177	66.4	86.3	0	0	0	113.5	N50 E51 N73 Y94 Y96	N50-H71 WeakPolarHBondContact CA-O 3.1Å; N50-H71 VanDerWaalsContact CB-CE1 3.44Å; N50-H71 WeakPolarHBondContact CB-CE1 3.15Å; N50-H71 WeakPolarHBondContact CB-NE2 3.43Å; N50-H71 WeakPolarHBondContact CB-O 3.14Å; E51-H71 PolarHBondContact N-O 3.07Å; H71-N73 PolarHBondContact O-N 3.25Å; H71-N73 PolarHBondContact O-ND2 2.86Å; H71-Y94 PolarHBondContact N-O 2.87Å; H71-Y94 VanDerWaalsContact N-O 3.09Å; H71-Y96 CarbonylContact C-O 3.48Å; H71-Y96 WeakPolarHBondContact CA-O 3.14Å; H71-Y96 HydrophobicContact CB-CD1 3.49Å; H71-Y96 VanDerWaalsContact CB-CD1 3.49Å; H71-Y96 HydrophobicContact CB-CD2 3.72Å; H71-Y96 HydrophobicContact CB-CE1 3.35Å; H71-Y96 HydrophobicContact CB-CE2 3.59Å; H71-Y96 HydrophobicContact CB-CG 3.66Å; H71-Y96 VanDerWaalsContact CB-CZ 3.41Å; H71-Y96 VanDerWaalsContact CB-O 3.23Å; H71-Y96 WeakPolarHBondContact CB-O 3.06Å; H71-Y96 AromaticContact CD2-CE1 3.68Å; H71-Y96 AromaticContact CD2-CZ 3.65Å; H71-Y96 PolarHBondContact CD2-OH 3.17Å; H71-Y96 AromaticContact CE1-CZ 3.85Å; H71-Y96 PolarHBondContact CE1-OH 3.16Å; H71-Y96 AromaticContact CG-CE1 3.46Å; H71-Y96 VanDerWaalsContact CG-CE1 3.46Å; H71-Y96 AromaticContact CG-CE2 3.68Å; H71-Y96 AromaticContact CG-CZ 3.19Å; H71-Y96 VanDerWaalsContact CG-OH 3.3Å; H71-Y96 AromaticContact ND1-CE2 3.6Å; H71-Y96 AromaticContact ND1-CZ 3.35Å; H71-Y96 VanDerWaalsContact ND1-CZ 3.35Å; H71-Y96 PolarHBondContact ND1-OH 2.79Å; H71-Y96 VanDerWaalsContact ND1-OH 3.12Å; H71-Y96 PolarHBondContact NE2-OH 3.1Å
72	N	98.4	Very high	95.6	Very high	64 Å²	64	41.5 Å²	41.5	34%	0.342	24%	0.237	S	C	.	.	S	Bend	trans	54	51.4	179	-58.8	-22.4	0	0	0	111.9	E51 Y96 G97	E51-N72 VanDerWaalsContact CA-O 3.27Å; E51-N72 WeakPolarHBondContact CA-O 3.43Å; E51-N72 HydrophobicContact CG-CB 3.59Å; E51-N72 PolarHBondContact N-O 3.32Å; E51-N72 PolarHBondContact OE1-ND2 3.44Å; N72-Y96 PolarHBondContact N-O 3.3Å; N72-G97 CarbonylContact C-O 3.46Å; N72-G97 WeakPolarHBondContact CA-O 3.48Å; N72-G97 PolarHBondContact N-O 2.87Å
73	N	98.4	Very high	95.9	Very high	11 Å²	11	46.3 Å²	46.3	6%	0.059	26%	0.255	C	S	.	.	S	Bend	trans	-127.3	-165.7	176.7	-80.1	-61.9	0	0	0	109.5	C49 R52 S53 L54 L70 H71 I75 G97 N98	C49-N73 PolarHBondContact O-ND2 3.38Å; R52-N73 WeakPolarHBondContact CA-OD1 3.39Å; R52-N73 PolarHBondContact N-OD1 3.24Å; S53-N73 PolarHBondContact N-OD1 2.86Å; L54-N73 HydrophobicContact CB-CB 4.26Å; L54-N73 PolarHBondContact N-OD1 3.27Å; L70-N73 PolarHBondContact O-ND2 3.49Å; H71-N73 PolarHBondContact O-N 3.25Å; H71-N73 PolarHBondContact O-ND2 2.86Å; N73-I75 HydrophobicContact CB-CD1 4.17Å; N73-I75 HydrophobicContact CB-CG1 3.98Å; N73-G97 PolarHBondContact N-O 2.84Å; N73-G97 VanDerWaalsContact N-O 3.14Å; N73-N98 WeakPolarHBondContact CA-OD1 3.43Å; N73-N98 WeakPolarHBondContact CB-OD1 3.41Å; N73-N98 PolarHBondContact N-OD1 3.18Å; N73-N98 PolarHBondContact O-OD1 3.07Å
74	Q	98.2	Very high	96	Very high	81 Å²	81	41.1 Å²	41.1	38%	0.379	23%	0.231	S	C	.	.			trans	-119.3	32.6	178.2	-59.8	175.9	34.2	0	0	110	L54 T55 N76 N98	L54-Q74 CarbonylContact O-C 2.96Å; L54-Q74 WeakPolarHBondContact O-CA 3.38Å; L54-Q74 PolarHBondContact O-N 3.27Å; T55-Q74 WeakPolarHBondContact CA-O 3.21Å; T55-Q74 HydrophobicContact CG2-CB 4.4Å; Q74-N76 PolarHBondContact O-N 2.82Å; Q74-N98 PolarHBondContact N-OD1 2.9Å
75	I	98.3	Very high	96.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.213	C	C	.	.			trans	-71.8	129.2	-175.8	-59.1	170.5	0	0	0	108.8	L54 V57 L70 N73 F80 L95 N98 Q99 L100	L54-I75 HydrophobicContact CB-CG1 4.37Å; L54-I75 WeakPolarHBondContact O-CG1 3.38Å; L54-I75 PolarHBondContact O-N 3.09Å; V57-I75 HydrophobicContact CG2-CD1 4.34Å; V57-I75 HydrophobicContact CG2-CG2 4.47Å; L70-I75 HydrophobicContact CB-CD1 4.03Å; L70-I75 HydrophobicContact CD2-CD1 3.88Å; L70-I75 HydrophobicContact CG-CD1 4.46Å; N73-I75 HydrophobicContact CB-CD1 4.17Å; N73-I75 HydrophobicContact CB-CG1 3.98Å; I75-F80 HydrophobicContact CG2-CE2 3.96Å; I75-F80 HydrophobicContact CG2-CZ 4.18Å; I75-L95 HydrophobicContact CD1-CD2 4.24Å; I75-N98 HydrophobicContact CB-CB 4.49Å; I75-N98 WeakPolarHBondContact CB-OD1 3.38Å; I75-N98 WeakPolarHBondContact CG1-OD1 3.33Å; I75-N98 PolarHBondContact N-OD1 3.46Å; I75-Q99 CarbonylContact O-C 3.55Å; I75-Q99 VanDerWaalsContact O-C 3.31Å; I75-Q99 WeakPolarHBondContact O-CA 3.13Å; I75-Q99 PolarHBondContact O-N 3Å; I75-L100 HydrophobicContact CG2-CD2 4.45Å; I75-L100 WeakPolarHBondContact O-CD2 3.46Å
76	N	97.5	Very high	96.3	Very high	62 Å²	62	45.2 Å²	45.2	33%	0.332	24%	0.237	S	C	.	.			trans	-108.5	174.8	173.9	65.6	44.9	0	0	0	111.3	Q74 A78 G79	Q74-N76 PolarHBondContact O-N 2.82Å; N76-A78 VanDerWaalsContact C-N 3.25Å; N76-A78 PolarHBondContact O-N 2.99Å; N76-A78 WeakPolarHBondContact OD1-CB 3.49Å; N76-A78 PolarHBondContact OD1-N 3.48Å; N76-G79 WeakPolarHBondContact O-CA 3.37Å; N76-G79 PolarHBondContact O-N 3.23Å; N76-G79 PolarHBondContact OD1-N 3.26Å
77	N	96.9	Very high	96.2	Very high	38 Å²	38	40.9 Å²	40.9	20%	0.203	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-59.9	-28	-177.6	-69	75.7	0	0	0	114.8	G79 L100 D101 E102	N77-G79 PolarHBondContact O-N 3.16Å; N77-L100 WeakPolarHBondContact OD1-CA 3.43Å; N77-D101 PolarHBondContact OD1-N 2.85Å; N77-E102 VanDerWaalsContact ND2-C 3.25Å; N77-E102 WeakPolarHBondContact ND2-CA 3.42Å; N77-E102 WeakPolarHBondContact ND2-CB 3.44Å; N77-E102 PolarHBondContact ND2-N 3.27Å; N77-E102 PolarHBondContact ND2-O 3.04Å; N77-E102 PolarHBondContact OD1-N 3.32Å
78	A	96.1	Very high	96	Very high	95 Å²	95	42.2 Å²	42.2	79%	0.785	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-78.1	-11	175.7	0	0	0	0	0	112.7	N76 F80	N76-A78 VanDerWaalsContact C-N 3.25Å; N76-A78 PolarHBondContact O-N 2.99Å; N76-A78 WeakPolarHBondContact OD1-CB 3.49Å; N76-A78 PolarHBondContact OD1-N 3.48Å; A78-F80 VanDerWaalsContact C-N 3.26Å; A78-F80 PolarHBondContact O-N 3.14Å
79	G	95.3	Very high	95.9	Very high	5 Å²	5	43.5 Å²	43.5	5%	0.052	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-79.6	11	-176.7	0	0	0	0	0	115.8	V57 N76 N77 P81	V57-G79 PolarHBondContact N-O 3.37Å; N76-G79 WeakPolarHBondContact O-CA 3.37Å; N76-G79 PolarHBondContact O-N 3.23Å; N76-G79 PolarHBondContact OD1-N 3.26Å; N77-G79 PolarHBondContact O-N 3.16Å; G79-P81 WeakPolarHBondContact O-CD 3.33Å
80	F	96.6	Very high	95.8	Very high	12 Å²	12	41.1 Å²	41.1	5%	0.053	23%	0.231	C	C	.	.			trans	-106.3	105.5	-177.3	-69.2	-94	0	0	0	112.1	V57 I75 A78 L84 L95 L100 P104 V105 N106 L107	V57-F80 HydrophobicContact CG2-CD1 4.05Å; V57-F80 HydrophobicContact CG2-CE1 4.07Å; I75-F80 HydrophobicContact CG2-CE2 3.96Å; I75-F80 HydrophobicContact CG2-CZ 4.18Å; A78-F80 VanDerWaalsContact C-N 3.26Å; A78-F80 PolarHBondContact O-N 3.14Å; F80-L84 HydrophobicContact CD1-CD2 4.17Å; F80-L95 HydrophobicContact CE1-CD1 3.81Å; F80-L95 HydrophobicContact CE1-CD2 4.31Å; F80-L95 HydrophobicContact CZ-CD1 3.97Å; F80-L95 HydrophobicContact CZ-CD2 4.1Å; F80-L100 HydrophobicContact CE2-CD2 3.58Å; F80-L100 HydrophobicContact CZ-CD1 4.47Å; F80-L100 HydrophobicContact CZ-CD2 4Å; F80-P104 HydrophobicContact CD1-CB 4.23Å; F80-P104 HydrophobicContact CD2-CB 4.07Å; F80-P104 HydrophobicContact CE1-CB 3.79Å; F80-P104 HydrophobicContact CE2-CB 3.62Å; F80-P104 HydrophobicContact CG-CB 4.36Å; F80-P104 HydrophobicContact CZ-CB 3.46Å; F80-P104 VanDerWaalsContact CZ-CB 3.46Å; F80-P104 HydrophobicContact CZ-CG 4.24Å; F80-V105 WeakPolarHBondContact CB-O 3.46Å; F80-N106 HydrophobicContact CB-CB 4.5Å; F80-N106 PolarHBondContact O-ND2 2.96Å; F80-L107 HydrophobicContact CD1-CD2 4.15Å; F80-L107 HydrophobicContact CE1-CD2 3.81Å
81	P	95.1	Very high	95.8	Very high	25 Å²	25	44.3 Å²	44.3	16%	0.162	25%	0.246	C	C	.	.			trans	-71.4	148.1	-179.7	28.7	-32.5	0	0	0	111.8	V57 L59 G79 E83 L84	V57-P81 HydrophobicContact CB-CG 4.45Å; L59-P81 HydrophobicContact CD2-CB 3.77Å; L59-P81 HydrophobicContact CD2-CG 4.17Å; G79-P81 WeakPolarHBondContact O-CD 3.33Å; P81-E83 WeakPolarHBondContact CB-OE2 3.26Å; P81-E83 PolarHBondContact O-N 2.85Å; P81-L84 HydrophobicContact CG-CB 4.21Å; P81-L84 WeakPolarHBondContact O-CB 3.17Å; P81-L84 PolarHBondContact O-N 2.79Å
82	L	92.8	Very high	95.8	Very high	101 Å²	101	44.7 Å²	44.7	53%	0.529	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-64.1	-31.7	-177	-176.5	65.8	0	0	0	112.2	L84 H85	L82-L84 PolarHBondContact O-N 3.28Å; L82-H85 WeakPolarHBondContact O-CB 3.19Å; L82-H85 PolarHBondContact O-N 3.19Å
83	E	91.8	Very high	95.8	Very high	121 Å²	121	41.8 Å²	41.8	57%	0.565	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-63.7	-29.4	-179.4	-61.8	76.5	-167.9	0	0	112.2	P81 H85 H86	P81-E83 WeakPolarHBondContact CB-OE2 3.26Å; P81-E83 PolarHBondContact O-N 2.85Å; E83-H85 PolarHBondContact O-N 3.12Å; E83-H86 PolarHBondContact O-N 3.38Å
84	L	93.9	Very high	95.8	Very high	8 Å²	8	44.1 Å²	44.1	4%	0.042	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-59.9	-33.9	179.4	-174.6	66.3	0	0	0	111.7	V57 I68 F80 P81 L82 H86 V87 P108	V57-L84 HydrophobicContact CG1-CD1 4.49Å; V57-L84 HydrophobicContact CG1-CD2 4.16Å; V57-L84 HydrophobicContact CG2-CD2 4.46Å; I68-L84 HydrophobicContact CD1-CD1 4.29Å; F80-L84 HydrophobicContact CD1-CD2 4.17Å; P81-L84 HydrophobicContact CG-CB 4.21Å; P81-L84 WeakPolarHBondContact O-CB 3.17Å; P81-L84 PolarHBondContact O-N 2.79Å; L82-L84 PolarHBondContact O-N 3.28Å; L84-H86 PolarHBondContact O-N 3.19Å; L84-V87 PolarHBondContact O-N 3.06Å; L84-P108 HydrophobicContact CD1-CG 4.15Å; L84-P108 HydrophobicContact CG-CG 4.06Å
85	H	94.1	Very high	95.8	Very high	27 Å²	27	40.3 Å²	40.3	13%	0.125	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-62.2	-28.8	178.7	-171.3	54.4	0	0	0	112.8	L82 E83 N106 L107 K109	L82-H85 WeakPolarHBondContact O-CB 3.19Å; L82-H85 PolarHBondContact O-N 3.19Å; E83-H85 PolarHBondContact O-N 3.12Å; H85-N106 WeakPolarHBondContact CA-O 3.5Å; H85-N106 HydrophobicContact CB-CB 4.28Å; H85-N106 PolarHBondContact N-O 2.92Å; H85-L107 PolarHBondContact ND1-O 2.88Å; H85-K109 WeakPolarHBondContact CD2-CE 3.16Å; H85-K109 VanDerWaalsContact CE1-CE 3.47Å; H85-K109 WeakPolarHBondContact CE1-CE 3.35Å; H85-K109 WeakPolarHBondContact CE1-CG 3.4Å; H85-K109 WeakPolarHBondContact NE2-CE 3.31Å; H85-K109 WeakPolarHBondContact O-CG 3.36Å; H85-K109 PolarHBondContact O-N 3.14Å
86	H	92.8	Very high	95.8	Very high	116 Å²	116	42.8 Å²	42.8	54%	0.537	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-84	-9.4	-177.9	-63.1	135.6	0	0	0	114	E83 L84 A88	E83-H86 PolarHBondContact O-N 3.38Å; L84-H86 PolarHBondContact O-N 3.19Å; H86-A88 PolarHBondContact O-N 2.99Å
87	V	93.6	Very high	95.9	Very high	8 Å²	8	40.8 Å²	40.8	5%	0.048	23%	0.228	C	C	.	.			trans	-75.9	96.3	-178.3	-171.7	0	0	0	0	110.1	I61 G62 L84 V90 P108	I61-V87 WeakPolarHBondContact O-CG2 3.22Å; G62-V87 WeakPolarHBondContact O-CG1 3.13Å; L84-V87 PolarHBondContact O-N 3.06Å; V87-V90 HydrophobicContact CB-CG2 4.43Å; V87-V90 HydrophobicContact CG1-CG2 3.67Å; V87-P108 WeakPolarHBondContact O-CB 3.4Å
88	A	93.4	Very high	96	Very high	45 Å²	45	39.5 Å²	39.5	37%	0.372	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-20.5	-170.3	0	0	0	0	0	114	E63 H86 V90 N110	E63-A88 PolarHBondContact OE1-N 3.2Å; H86-A88 PolarHBondContact O-N 2.99Å; A88-V90 VanDerWaalsContact C-N 3.34Å; A88-V90 PolarHBondContact O-N 3.33Å; A88-N110 WeakPolarHBondContact O-CB 3.35Å; A88-N110 PolarHBondContact O-ND2 3.26Å
89	S	95.4	Very high	96	Very high	28 Å²	28	39.4 Å²	39.4	20%	0.196	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-17.5	-177.2	65.8	0	0	0	0	115.3	E63 G64 Y65	E63-S89 WeakPolarHBondContact OE2-CB 3.32Å; E63-S89 PolarHBondContact OE2-N 2.81Å; E63-S89 PolarHBondContact OE2-OG 2.8Å; G64-S89 PolarHBondContact N-OG 3.39Å; Y65-S89 PolarHBondContact N-OG 2.03Å; Y65-S89 CarbonylContact O-C 3.2Å; Y65-S89 WeakPolarHBondContact O-CB 3.29Å; Y65-S89 PolarHBondContact O-OG 3.45Å
90	V	96.9	Very high	96.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.203	C	C	.	.			trans	-79.2	125.8	-173	177.9	0	0	0	0	110.4	Y65 I68 V87 A88 V93 P108 N110 V111	Y65-V90 WeakPolarHBondContact O-CA 3.23Å; Y65-V90 WeakPolarHBondContact O-CG2 3.27Å; Y65-V90 PolarHBondContact O-N 3.01Å; I68-V90 HydrophobicContact CD1-CB 4.38Å; I68-V90 HydrophobicContact CD1-CG1 3.84Å; I68-V90 HydrophobicContact CD1-CG2 3.66Å; I68-V90 HydrophobicContact CG1-CG1 4Å; I68-V90 HydrophobicContact CG1-CG2 4.08Å; V87-V90 HydrophobicContact CB-CG2 4.43Å; V87-V90 HydrophobicContact CG1-CG2 3.67Å; A88-V90 VanDerWaalsContact C-N 3.34Å; A88-V90 PolarHBondContact O-N 3.33Å; V90-V93 HydrophobicContact CG1-CG2 3.66Å; V90-P108 HydrophobicContact CB-CB 3.99Å; V90-P108 HydrophobicContact CB-CG 4.07Å; V90-P108 HydrophobicContact CG1-CB 4.4Å; V90-P108 HydrophobicContact CG1-CG 4.07Å; V90-P108 HydrophobicContact CG2-CG 4.5Å; V90-N110 CarbonylContact O-C 3.45Å; V90-V111 HydrophobicContact CG1-CG2 4.33Å
91	E	97.6	Very high	96.2	Very high	68 Å²	68	42.3 Å²	42.3	32%	0.318	22%	0.22	S	C	.	.			trans	-111	-27.4	-178.9	-66.8	173.9	178.2	0	0	111.9	K66 R112 V113	K66-E91 PolarHBondContact O-N 3.03Å; E91-R112 PolarHBondContact O-N 3.42Å; E91-V113 PolarHBondContact O-N 3.33Å; E91-V113 VanDerWaalsContact O-N 3.08Å
92	T	98.6	Very high	96.4	Very high	24 Å²	24	46.3 Å²	46.3	15%	0.147	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	131	-176.1	-52.8	0	0	0	0	111.7	K66 T67 I68 Y94 V113	K66-T92 PolarHBondContact O-N 3.26Å; K66-T92 VanDerWaalsContact O-N 3.13Å; T67-T92 WeakPolarHBondContact CA-O 3.32Å; T67-T92 HydrophobicContact CG2-CG2 4.26Å; I68-T92 PolarHBondContact N-O 3.48Å; T92-Y94 HydrophobicContact CG2-CD2 4.11Å; T92-Y94 HydrophobicContact CG2-CE2 3.51Å; T92-V113 WeakPolarHBondContact CA-O 3.27Å; T92-V113 HydrophobicContact CG2-CB 4.04Å; T92-V113 HydrophobicContact CG2-CG1 4.28Å
93	V	98.6	Very high	96.6	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.018	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	125.1	178.7	-179.5	0	0	0	0	110	V90 L95 P108 V111 V113 L114 H115	V90-V93 HydrophobicContact CG1-CG2 3.66Å; V93-L95 HydrophobicContact CG1-CD1 3.59Å; V93-L95 HydrophobicContact CG1-CG 3.8Å; V93-P108 HydrophobicContact CG2-CG 4.45Å; V93-V111 HydrophobicContact CG2-CG2 3.72Å; V93-V113 PolarHBondContact N-O 2.95Å; V93-L114 HydrophobicContact CB-CD1 3.98Å; V93-L114 HydrophobicContact CG1-CD1 4.22Å; V93-H115 PolarHBondContact O-N 3.46Å
94	Y	98.8	Very high	96.9	Very high	60 Å²	60	36 Å²	36	24%	0.235	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	113.1	174	-63.7	-91	0	0	0	110.7	T67 I68 Y69 L70 H71 T92 Y96 H115	T67-Y94 HydrophobicContact CG2-CD2 4.08Å; T67-Y94 HydrophobicContact CG2-CE2 3.74Å; I68-Y94 PolarHBondContact O-N 3.48Å; Y69-Y94 AromaticContact CD1-CD2 3.46Å; Y69-Y94 HydrophobicContact CD1-CD2 3.46Å; Y69-Y94 VanDerWaalsContact CD1-CD2 3.46Å; Y69-Y94 AromaticContact CD1-CE2 3.98Å; Y69-Y94 HydrophobicContact CD1-CE2 3.98Å; Y69-Y94 AromaticContact CD1-CG 3.97Å; Y69-Y94 HydrophobicContact CD1-CG 3.97Å; Y69-Y94 AromaticContact CE1-CD2 3.47Å; Y69-Y94 HydrophobicContact CE1-CD2 3.47Å; Y69-Y94 VanDerWaalsContact CE1-CD2 3.47Å; Y69-Y94 AromaticContact CE1-CE2 3.45Å; Y69-Y94 HydrophobicContact CE1-CE2 3.45Å; Y69-Y94 VanDerWaalsContact CE1-CE2 3.45Å; Y69-Y94 HydrophobicContact CE1-CG 4.23Å; Y69-Y94 HydrophobicContact CG-CD2 4.32Å; L70-Y94 CarbonylContact C-O 3.2Å; L70-Y94 VanDerWaalsContact C-O 3.31Å; L70-Y94 VanDerWaalsContact CA-O 3.28Å; L70-Y94 WeakPolarHBondContact CA-O 3.29Å; L70-Y94 WeakPolarHBondContact CB-O 3.38Å; L70-Y94 PolarHBondContact N-O 2.77Å; H71-Y94 PolarHBondContact N-O 2.87Å; H71-Y94 VanDerWaalsContact N-O 3.09Å; T92-Y94 HydrophobicContact CG2-CD2 4.11Å; T92-Y94 HydrophobicContact CG2-CE2 3.51Å; Y94-Y96 HydrophobicContact CD1-CD1 4.14Å; Y94-Y96 AromaticContact CD1-CE1 3.78Å; Y94-Y96 HydrophobicContact CD1-CE1 3.78Å; Y94-Y96 HydrophobicContact CG-CE1 4.31Å; Y94-H115 HydrophobicContact CD1-CB 3.98Å; Y94-H115 AromaticContact CD1-CD2 3.29Å; Y94-H115 WeakPolarHBondContact CD1-CD2 3.43Å; Y94-H115 AromaticContact CD1-CG 3.67Å; Y94-H115 AromaticContact CD1-NE2 3.91Å; Y94-H115 AromaticContact CE1-CD2 3.22Å; Y94-H115 WeakPolarHBondContact CE1-CD2 3.35Å; Y94-H115 AromaticContact CE1-CG 3.88Å; Y94-H115 AromaticContact CE1-NE2 3.32Å; Y94-H115 VanDerWaalsContact CE1-NE2 3.32Å; Y94-H115 WeakPolarHBondContact CE1-NE2 3.29Å; Y94-H115 AromaticContact CZ-CD2 3.91Å; Y94-H115 AromaticContact CZ-NE2 3.85Å
95	L	98.6	Very high	96.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.201	C	C	.	.			trans	-127.7	15.5	-177.7	-82.6	162.3	0	0	0	112.8	L70 I75 F80 V93 N98 L107 L114 H115 L116 N119	L70-L95 HydrophobicContact CB-CD2 3.59Å; L70-L95 HydrophobicContact CB-CG 4.22Å; L70-L95 HydrophobicContact CD1-CD2 4Å; L70-L95 HydrophobicContact CD1-CG 4.49Å; L70-L95 HydrophobicContact CG-CD2 4.42Å; I75-L95 HydrophobicContact CD1-CD2 4.24Å; F80-L95 HydrophobicContact CE1-CD1 3.81Å; F80-L95 HydrophobicContact CE1-CD2 4.31Å; F80-L95 HydrophobicContact CZ-CD1 3.97Å; F80-L95 HydrophobicContact CZ-CD2 4.1Å; V93-L95 HydrophobicContact CG1-CD1 3.59Å; V93-L95 HydrophobicContact CG1-CG 3.8Å; L95-N98 PolarHBondContact O-ND2 2.92Å; L95-L107 HydrophobicContact CD1-CD2 3.94Å; L95-L114 HydrophobicContact CD1-CD1 4.33Å; L95-H115 CarbonylContact C-O 3.58Å; L95-H115 WeakPolarHBondContact CA-O 3.18Å; L95-H115 WeakPolarHBondContact CB-O 3.17Å; L95-H115 PolarHBondContact N-O 3.07Å; L95-L116 HydrophobicContact CB-CD2 3.66Å; L95-L116 HydrophobicContact CD1-CD2 4.01Å; L95-L116 HydrophobicContact CG-CD2 4.5Å; L95-N119 PolarHBondContact O-ND2 3.07Å
96	Y	98.6	Very high	97	Very high	52 Å²	52	39 Å²	39	20%	0.204	20%	0.204	C	C	.	.			trans	-67	155.5	179.1	65.1	-93.3	0	0	0	113.2	H71 N72 Y94 N98 H115 Q117	H71-Y96 CarbonylContact C-O 3.48Å; H71-Y96 WeakPolarHBondContact CA-O 3.14Å; H71-Y96 HydrophobicContact CB-CD1 3.49Å; H71-Y96 VanDerWaalsContact CB-CD1 3.49Å; H71-Y96 HydrophobicContact CB-CD2 3.72Å; H71-Y96 HydrophobicContact CB-CE1 3.35Å; H71-Y96 HydrophobicContact CB-CE2 3.59Å; H71-Y96 HydrophobicContact CB-CG 3.66Å; H71-Y96 VanDerWaalsContact CB-CZ 3.41Å; H71-Y96 VanDerWaalsContact CB-O 3.23Å; H71-Y96 WeakPolarHBondContact CB-O 3.06Å; H71-Y96 AromaticContact CD2-CE1 3.68Å; H71-Y96 AromaticContact CD2-CZ 3.65Å; H71-Y96 PolarHBondContact CD2-OH 3.17Å; H71-Y96 AromaticContact CE1-CZ 3.85Å; H71-Y96 PolarHBondContact CE1-OH 3.16Å; H71-Y96 AromaticContact CG-CE1 3.46Å; H71-Y96 VanDerWaalsContact CG-CE1 3.46Å; H71-Y96 AromaticContact CG-CE2 3.68Å; H71-Y96 AromaticContact CG-CZ 3.19Å; H71-Y96 VanDerWaalsContact CG-OH 3.3Å; H71-Y96 AromaticContact ND1-CE2 3.6Å; H71-Y96 AromaticContact ND1-CZ 3.35Å; H71-Y96 VanDerWaalsContact ND1-CZ 3.35Å; H71-Y96 PolarHBondContact ND1-OH 2.79Å; H71-Y96 VanDerWaalsContact ND1-OH 3.12Å; H71-Y96 PolarHBondContact NE2-OH 3.1Å; N72-Y96 PolarHBondContact N-O 3.3Å; Y94-Y96 HydrophobicContact CD1-CD1 4.14Å; Y94-Y96 AromaticContact CD1-CE1 3.78Å; Y94-Y96 HydrophobicContact CD1-CE1 3.78Å; Y94-Y96 HydrophobicContact CG-CE1 4.31Å; Y96-N98 PolarHBondContact O-ND2 3.14Å; Y96-H115 HydrophobicContact CD1-CB 4.31Å; Y96-H115 PolarHBondContact N-O 3.32Å; Y96-Q117 CarbonylContact C-O 3.3Å; Y96-Q117 WeakPolarHBondContact CA-O 3.28Å; Y96-Q117 VanDerWaalsContact CB-NE2 3.32Å; Y96-Q117 WeakPolarHBondContact CB-O 3.3Å; Y96-Q117 HydrophobicContact CG-CG 4.44Å
97	G	98.3	Very high	97.1	Very high	20 Å²	20	33.5 Å²	33.5	21%	0.206	18%	0.179	C	C	.	.	S	Bend	trans	63.9	48.7	179.7	0	0	0	0	0	112.6	N72 N73 Q117 E118	N72-G97 CarbonylContact C-O 3.46Å; N72-G97 WeakPolarHBondContact CA-O 3.48Å; N72-G97 PolarHBondContact N-O 2.87Å; N73-G97 PolarHBondContact N-O 2.84Å; N73-G97 VanDerWaalsContact N-O 3.14Å; G97-Q117 PolarHBondContact N-O 3.37Å; G97-Q117 VanDerWaalsContact N-O 3.13Å; G97-E118 WeakPolarHBondContact CA-O 3.44Å; G97-E118 PolarHBondContact N-O 2.95Å; G97-E118 VanDerWaalsContact N-O 3.13Å
98	N	98.6	Very high	97.3	Very high	11 Å²	11	33.2 Å²	33.2	6%	0.059	18%	0.177	C	C	.	.	S	Bend	trans	-125	-168	178.2	-86.2	-73.8	0	0	0	110.5	L70 N73 Q74 I75 L95 Y96 L100 N119	L70-N98 PolarHBondContact O-ND2 2.97Å; N73-N98 WeakPolarHBondContact CA-OD1 3.43Å; N73-N98 WeakPolarHBondContact CB-OD1 3.41Å; N73-N98 PolarHBondContact N-OD1 3.18Å; N73-N98 PolarHBondContact O-OD1 3.07Å; Q74-N98 PolarHBondContact N-OD1 2.9Å; I75-N98 HydrophobicContact CB-CB 4.49Å; I75-N98 WeakPolarHBondContact CB-OD1 3.38Å; I75-N98 WeakPolarHBondContact CG1-OD1 3.33Å; I75-N98 PolarHBondContact N-OD1 3.46Å; L95-N98 PolarHBondContact O-ND2 2.92Å; Y96-N98 PolarHBondContact O-ND2 3.14Å; N98-L100 HydrophobicContact CB-CG 4.31Å; N98-N119 WeakPolarHBondContact CA-OD1 3.33Å; N98-N119 WeakPolarHBondContact CB-OD1 3.46Å; N98-N119 PolarHBondContact N-OD1 3.49Å; N98-N119 PolarHBondContact O-OD1 2.95Å
99	Q	97.9	Very high	97.3	Very high	94 Å²	94	35.6 Å²	35.6	44%	0.439	18%	0.179	S	C	.	.			trans	-116.8	45.8	-178	-64.5	178.1	-5.3	0	0	110.8	I75 N119	I75-Q99 CarbonylContact O-C 3.55Å; I75-Q99 VanDerWaalsContact O-C 3.31Å; I75-Q99 WeakPolarHBondContact O-CA 3.13Å; I75-Q99 PolarHBondContact O-N 3Å; Q99-N119 PolarHBondContact N-OD1 3.33Å
100	L	98.3	Very high	97.3	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.179	C	C	.	.			trans	-83.8	127.7	178.4	-56.2	175.6	0	0	0	110.5	I75 N77 F80 N98 P104 L116 N119 N120 I121	I75-L100 HydrophobicContact CG2-CD2 4.45Å; I75-L100 WeakPolarHBondContact O-CD2 3.46Å; N77-L100 WeakPolarHBondContact OD1-CA 3.43Å; F80-L100 HydrophobicContact CE2-CD2 3.58Å; F80-L100 HydrophobicContact CZ-CD1 4.47Å; F80-L100 HydrophobicContact CZ-CD2 4Å; N98-L100 HydrophobicContact CB-CG 4.31Å; L100-P104 HydrophobicContact CD1-CG 4.48Å; L100-L116 HydrophobicContact CD1-CD2 3.58Å; L100-N119 HydrophobicContact CB-CB 4.16Å; L100-N119 WeakPolarHBondContact CB-OD1 3.45Å; L100-N119 WeakPolarHBondContact CG-OD1 3.25Å; L100-N119 PolarHBondContact N-OD1 2.85Å; L100-N120 CarbonylContact O-C 3.58Å; L100-N120 WeakPolarHBondContact O-CA 3.37Å; L100-N120 WeakPolarHBondContact O-CB 3.27Å; L100-N120 PolarHBondContact O-N 3.37Å; L100-I121 HydrophobicContact CB-CD1 4.38Å; L100-I121 HydrophobicContact CB-CG1 3.94Å; L100-I121 PolarHBondContact O-N 3.32Å
101	D	97.4	Very high	97.4	Very high	78 Å²	78	36 Å²	36	42%	0.417	18%	0.179	S	C	.	.	S	Bend	trans	-100.2	-21.6	177.8	-63	-49.6	0	0	0	112.7	N77 I121 Q122	N77-D101 PolarHBondContact OD1-N 2.85Å; D101-I121 CarbonylContact O-C 3.31Å; D101-I121 WeakPolarHBondContact O-CA 3.41Å; D101-Q122 PolarHBondContact O-N 2.6Å
102	E	98	Very high	97.4	Very high	108 Å²	108	38 Å²	38	51%	0.505	18%	0.184	S	C	.	.	B	Isolated β-bridge	trans	-132.7	167.1	176.8	-44	-167.4	141.7	0	0	110.9	N77 T123	N77-E102 VanDerWaalsContact ND2-C 3.25Å; N77-E102 WeakPolarHBondContact ND2-CA 3.42Å; N77-E102 WeakPolarHBondContact ND2-CB 3.44Å; N77-E102 PolarHBondContact ND2-N 3.27Å; N77-E102 PolarHBondContact ND2-O 3.04Å; N77-E102 PolarHBondContact OD1-N 3.32Å; E102-T123 VanDerWaalsContact CB-OG1 3.31Å; E102-T123 WeakPolarHBondContact CB-OG1 3.39Å; E102-T123 WeakPolarHBondContact CG-OG1 3.49Å; E102-T123 PolarHBondContact OE1-OG1 2.9Å
103	F	98.3	Very high	97.4	Very high	6 Å²	6	38.3 Å²	38.3	3%	0.026	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-61.3	127	171.4	-165	-79.2	0	0	0	110.6	L107 L114 L116 T123 I124 A128 L129 L132 L138 L140	F103-L107 HydrophobicContact CE1-CD1 4.38Å; F103-L114 HydrophobicContact CE1-CD2 4.43Å; F103-L114 HydrophobicContact CE2-CD2 4.4Å; F103-L114 HydrophobicContact CZ-CD2 3.72Å; F103-L116 HydrophobicContact CD2-CD1 4.12Å; F103-L116 HydrophobicContact CE2-CD1 3.78Å; F103-L116 HydrophobicContact CZ-CD1 4.2Å; F103-T123 PolarHBondContact N-O 2.99Å; F103-I124 HydrophobicContact CB-CG1 4.37Å; F103-I124 HydrophobicContact CB-CG2 4.47Å; F103-I124 HydrophobicContact CD2-CG1 4.49Å; F103-I124 HydrophobicContact CD2-CG2 4.37Å; F103-A128 HydrophobicContact CB-CB 4.5Å; F103-A128 HydrophobicContact CD1-CB 3.64Å; F103-A128 HydrophobicContact CE1-CB 4.33Å; F103-A128 HydrophobicContact CG-CB 4.42Å; F103-L129 HydrophobicContact CE1-CD2 4.1Å; F103-L129 HydrophobicContact CE2-CD2 3.8Å; F103-L129 HydrophobicContact CE2-CG 4.5Å; F103-L129 HydrophobicContact CZ-CD2 3.53Å; F103-L129 HydrophobicContact CZ-CG 4.35Å; F103-L132 HydrophobicContact CE1-CD1 3.9Å; F103-L132 HydrophobicContact CZ-CD1 3.98Å; F103-L138 HydrophobicContact CE2-CD1 3.99Å; F103-L138 HydrophobicContact CE2-CD2 4.05Å; F103-L138 HydrophobicContact CZ-CD1 4.41Å; F103-L140 HydrophobicContact CD2-CD2 4.39Å
104	P	96.9	Very high	97.5	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-68.4	139.4	-173.6	27.7	-36.1	0	0	0	112.7	F80 L100 L107 L116	F80-P104 HydrophobicContact CD1-CB 4.23Å; F80-P104 HydrophobicContact CD2-CB 4.07Å; F80-P104 HydrophobicContact CE1-CB 3.79Å; F80-P104 HydrophobicContact CE2-CB 3.62Å; F80-P104 HydrophobicContact CG-CB 4.36Å; F80-P104 HydrophobicContact CZ-CB 3.46Å; F80-P104 VanDerWaalsContact CZ-CB 3.46Å; F80-P104 HydrophobicContact CZ-CG 4.24Å; L100-P104 HydrophobicContact CD1-CG 4.48Å; P104-L107 HydrophobicContact CB-CD1 4.44Å; P104-L107 HydrophobicContact CB-CG 4.39Å; P104-L107 HydrophobicContact CG-CD1 3.76Å; P104-L107 HydrophobicContact CG-CG 4.22Å; P104-L116 HydrophobicContact CG-CD1 4.14Å; P104-L116 HydrophobicContact CG-CD2 3.89Å
105	V	94.6	Very high	97.5	Very high	59 Å²	59	36.3 Å²	36.3	36%	0.358	18%	0.178	S	C	.	.	S	Bend	trans	-97.6	166.3	173.3	-65.1	0	0	0	0	110.9	F80 L107 A128	F80-V105 WeakPolarHBondContact CB-O 3.46Å; V105-L107 PolarHBondContact O-N 2.95Å; V105-A128 HydrophobicContact CG1-CB 4.04Å
106	N	94.9	Very high	97.5	Very high	37 Å²	37	36.3 Å²	36.3	20%	0.198	18%	0.178	C	C	.	.	S	Bend	trans	64	23.2	178.8	-52.1	-37.7	0	0	0	114.6	F80 H85	F80-N106 HydrophobicContact CB-CB 4.5Å; F80-N106 PolarHBondContact O-ND2 2.96Å; H85-N106 WeakPolarHBondContact CA-O 3.5Å; H85-N106 HydrophobicContact CB-CB 4.28Å; H85-N106 PolarHBondContact N-O 2.92Å
107	L	96.7	Very high	97.5	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.01	18%	0.175	C	C	.	.			trans	-66.6	155.3	170	-75	177.4	0	0	0	111.2	F80 H85 L95 F103 P104 V105 K109 L114 L132	F80-L107 HydrophobicContact CD1-CD2 4.15Å; F80-L107 HydrophobicContact CE1-CD2 3.81Å; H85-L107 PolarHBondContact ND1-O 2.88Å; L95-L107 HydrophobicContact CD1-CD2 3.94Å; F103-L107 HydrophobicContact CE1-CD1 4.38Å; P104-L107 HydrophobicContact CB-CD1 4.44Å; P104-L107 HydrophobicContact CB-CG 4.39Å; P104-L107 HydrophobicContact CG-CD1 3.76Å; P104-L107 HydrophobicContact CG-CG 4.22Å; V105-L107 PolarHBondContact O-N 2.95Å; L107-K109 PolarHBondContact O-N 3.18Å; L107-L114 HydrophobicContact CD1-CD1 3.99Å; L107-L114 HydrophobicContact CD1-CD2 3.52Å; L107-L114 HydrophobicContact CD1-CG 4.43Å; L107-L132 HydrophobicContact CB-CD2 3.94Å; L107-L132 HydrophobicContact CD1-CD1 3.96Å
108	P	96.3	Very high	97.5	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.006	19%	0.19	C	C	.	.			trans	-59.5	130.7	179.4	-16.1	26.3	0	0	0	112	L84 V87 V90 V93 N110 V111	L84-P108 HydrophobicContact CD1-CG 4.15Å; L84-P108 HydrophobicContact CG-CG 4.06Å; V87-P108 WeakPolarHBondContact O-CB 3.4Å; V90-P108 HydrophobicContact CB-CB 3.99Å; V90-P108 HydrophobicContact CB-CG 4.07Å; V90-P108 HydrophobicContact CG1-CB 4.4Å; V90-P108 HydrophobicContact CG1-CG 4.07Å; V90-P108 HydrophobicContact CG2-CG 4.5Å; V93-P108 HydrophobicContact CG2-CG 4.45Å; P108-N110 PolarHBondContact O-N 2.9Å; P108-V111 HydrophobicContact CB-CG2 3.89Å; P108-V111 HydrophobicContact CG-CG2 4.04Å; P108-V111 VanDerWaalsContact O-CG2 3.24Å; P108-V111 WeakPolarHBondContact O-CG2 3.24Å; P108-V111 PolarHBondContact O-N 3.27Å
109	K	94	Very high	97.5	Very high	96 Å²	96	39.3 Å²	39.3	42%	0.417	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-27.7	-170.9	-74.2	173.9	-178	-178.4	0	115.8	H85 L107	H85-K109 WeakPolarHBondContact CD2-CE 3.16Å; H85-K109 VanDerWaalsContact CE1-CE 3.47Å; H85-K109 WeakPolarHBondContact CE1-CE 3.35Å; H85-K109 WeakPolarHBondContact CE1-CG 3.4Å; H85-K109 WeakPolarHBondContact NE2-CE 3.31Å; H85-K109 WeakPolarHBondContact O-CG 3.36Å; H85-K109 PolarHBondContact O-N 3.14Å; L107-K109 PolarHBondContact O-N 3.18Å
110	N	96.3	Very high	97.5	Very high	37 Å²	37	38.5 Å²	38.5	20%	0.198	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	12.4	-171.7	-67.6	-31.7	0	0	0	113.7	A88 V90 P108 R112 R134	A88-N110 WeakPolarHBondContact O-CB 3.35Å; A88-N110 PolarHBondContact O-ND2 3.26Å; V90-N110 CarbonylContact O-C 3.45Å; P108-N110 PolarHBondContact O-N 2.9Å; N110-R112 PolarHBondContact O-N 2.97Å; N110-R134 PolarHBondContact ND2-NH1 3.04Å; N110-R134 WeakPolarHBondContact OD1-CD 3.15Å; N110-R134 PolarHBondContact OD1-NH1 2.94Å
111	V	98.1	Very high	97.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.187	C	C	.	.			trans	-57.2	131.9	175.8	172.7	0	0	0	0	109.7	V90 V93 P108 V113 L114 R134 L135	V90-V111 HydrophobicContact CG1-CG2 4.33Å; V93-V111 HydrophobicContact CG2-CG2 3.72Å; P108-V111 HydrophobicContact CB-CG2 3.89Å; P108-V111 HydrophobicContact CG-CG2 4.04Å; P108-V111 VanDerWaalsContact O-CG2 3.24Å; P108-V111 WeakPolarHBondContact O-CG2 3.24Å; P108-V111 PolarHBondContact O-N 3.27Å; V111-V113 WeakPolarHBondContact CG1-O 3.48Å; V111-L114 HydrophobicContact CG1-CB 4.1Å; V111-R134 CarbonylContact O-C 3.54Å; V111-R134 VanDerWaalsContact O-C 3.26Å; V111-L135 HydrophobicContact CG1-CD1 4.02Å; V111-L135 VanDerWaalsContact O-CA 3.28Å; V111-L135 WeakPolarHBondContact O-CA 3.28Å; V111-L135 PolarHBondContact O-N 3.09Å
112	R	98.4	Very high	97.5	Very high	110 Å²	110	39.6 Å²	39.6	42%	0.415	19%	0.19	S	C	.	.			trans	-105.5	-35.1	175.8	-61.7	-173.9	-177.3	-156.8	7.5	111.9	E91 N110 E136 E137	E91-R112 PolarHBondContact O-N 3.42Å; N110-R112 PolarHBondContact O-N 2.97Å; R112-E136 HydrophobicContact CB-CG 4.3Å; R112-E136 WeakPolarHBondContact CD-OE1 3.47Å; R112-E136 IonicContact CZ-OE1 3.38Å; R112-E136 IonicContact NE-OE1 3.43Å; R112-E136 IonicContact NH1-OE1 2.67Å; R112-E136 PolarHBondContact NH1-OE1 2.96Å; R112-E136 WeakPolarHBondContact O-CA 3.35Å; R112-E136 PolarHBondContact O-N 3.21Å; R112-E137 PolarHBondContact O-N 3.46Å
113	V	98.8	Very high	97.5	Very high	29 Å²	29	36.9 Å²	36.9	18%	0.176	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	120.4	-177.9	-175.3	0	0	0	0	109.1	E91 T92 V93 V111 H115 E137	E91-V113 PolarHBondContact O-N 3.33Å; E91-V113 VanDerWaalsContact O-N 3.08Å; T92-V113 WeakPolarHBondContact CA-O 3.27Å; T92-V113 HydrophobicContact CG2-CB 4.04Å; T92-V113 HydrophobicContact CG2-CG1 4.28Å; V93-V113 PolarHBondContact N-O 2.95Å; V111-V113 WeakPolarHBondContact CG1-O 3.48Å; V113-H115 WeakPolarHBondContact CG1-NE2 3.47Å; V113-E137 WeakPolarHBondContact CA-O 3.35Å; V113-E137 HydrophobicContact CB-CB 4.43Å; V113-E137 HydrophobicContact CG1-CB 4.15Å; V113-E137 HydrophobicContact CG1-CG 4.16Å; V113-E137 HydrophobicContact CG2-CB 4.15Å
114	L	98.8	Very high	97.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	121.3	-177.6	-178.2	58.3	0	0	0	110.3	V93 L95 F103 L107 V111 L116 L132 L135 E137 L138 H139	V93-L114 HydrophobicContact CB-CD1 3.98Å; V93-L114 HydrophobicContact CG1-CD1 4.22Å; L95-L114 HydrophobicContact CD1-CD1 4.33Å; F103-L114 HydrophobicContact CE1-CD2 4.43Å; F103-L114 HydrophobicContact CE2-CD2 4.4Å; F103-L114 HydrophobicContact CZ-CD2 3.72Å; L107-L114 HydrophobicContact CD1-CD1 3.99Å; L107-L114 HydrophobicContact CD1-CD2 3.52Å; L107-L114 HydrophobicContact CD1-CG 4.43Å; V111-L114 HydrophobicContact CG1-CB 4.1Å; L114-L116 HydrophobicContact CD1-CD1 4.45Å; L114-L116 HydrophobicContact CD1-CD2 4.46Å; L114-L116 HydrophobicContact CD1-CG 4.18Å; L114-L116 HydrophobicContact CD2-CD1 3.72Å; L114-L116 HydrophobicContact CD2-CG 4.31Å; L114-L116 HydrophobicContact CG-CD1 3.89Å; L114-L116 HydrophobicContact CG-CG 3.93Å; L114-L132 HydrophobicContact CD2-CD1 4.07Å; L114-L135 HydrophobicContact CB-CD1 3.65Å; L114-E137 PolarHBondContact N-O 2.94Å; L114-L138 HydrophobicContact CB-CD1 4.11Å; L114-L138 HydrophobicContact CD2-CD1 3.95Å; L114-L138 HydrophobicContact CG-CD1 4.1Å; L114-H139 PolarHBondContact O-N 3.04Å
115	H	98.9	Very high	97.5	Very high	21 Å²	21	38.3 Å²	38.3	10%	0.097	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	113.1	177.7	-63.8	-86.1	0	0	0	110.6	V93 Y94 L95 Y96 V113 Q117 H139	V93-H115 PolarHBondContact O-N 3.46Å; Y94-H115 HydrophobicContact CD1-CB 3.98Å; Y94-H115 AromaticContact CD1-CD2 3.29Å; Y94-H115 WeakPolarHBondContact CD1-CD2 3.43Å; Y94-H115 AromaticContact CD1-CG 3.67Å; Y94-H115 AromaticContact CD1-NE2 3.91Å; Y94-H115 AromaticContact CE1-CD2 3.22Å; Y94-H115 WeakPolarHBondContact CE1-CD2 3.35Å; Y94-H115 AromaticContact CE1-CG 3.88Å; Y94-H115 AromaticContact CE1-NE2 3.32Å; Y94-H115 VanDerWaalsContact CE1-NE2 3.32Å; Y94-H115 WeakPolarHBondContact CE1-NE2 3.29Å; Y94-H115 AromaticContact CZ-CD2 3.91Å; Y94-H115 AromaticContact CZ-NE2 3.85Å; L95-H115 CarbonylContact C-O 3.58Å; L95-H115 WeakPolarHBondContact CA-O 3.18Å; L95-H115 WeakPolarHBondContact CB-O 3.17Å; L95-H115 PolarHBondContact N-O 3.07Å; Y96-H115 HydrophobicContact CD1-CB 4.31Å; Y96-H115 PolarHBondContact N-O 3.32Å; V113-H115 WeakPolarHBondContact CG1-NE2 3.47Å; H115-Q117 VanDerWaalsContact CB-OE1 3.28Å; H115-H139 AromaticContact CE1-CD2 3.42Å; H115-H139 PolarHBondContact CE1-CD2 3.09Å; H115-H139 VanDerWaalsContact CE1-CD2 3.42Å; H115-H139 AromaticContact CE1-CE1 3.85Å; H115-H139 AromaticContact CE1-NE2 3.31Å; H115-H139 PolarHBondContact CE1-NE2 2.99Å; H115-H139 VanDerWaalsContact CE1-NE2 3.31Å; H115-H139 AromaticContact ND1-CD2 3.25Å; H115-H139 PolarHBondContact ND1-CD2 3.18Å; H115-H139 AromaticContact ND1-CE1 3.98Å; H115-H139 AromaticContact ND1-CG 3.48Å; H115-H139 AromaticContact ND1-ND1 3.91Å; H115-H139 AromaticContact ND1-NE2 3.58Å
116	L	98.8	Very high	97.6	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.191	C	C	.	.			trans	-126	14.1	-179.2	-69.3	168.2	0	0	0	112.6	L95 L100 F103 P104 L114 N119 I121 L138 H139 L140 N143	L95-L116 HydrophobicContact CB-CD2 3.66Å; L95-L116 HydrophobicContact CD1-CD2 4.01Å; L95-L116 HydrophobicContact CG-CD2 4.5Å; L100-L116 HydrophobicContact CD1-CD2 3.58Å; F103-L116 HydrophobicContact CD2-CD1 4.12Å; F103-L116 HydrophobicContact CE2-CD1 3.78Å; F103-L116 HydrophobicContact CZ-CD1 4.2Å; P104-L116 HydrophobicContact CG-CD1 4.14Å; P104-L116 HydrophobicContact CG-CD2 3.89Å; L114-L116 HydrophobicContact CD1-CD1 4.45Å; L114-L116 HydrophobicContact CD1-CD2 4.46Å; L114-L116 HydrophobicContact CD1-CG 4.18Å; L114-L116 HydrophobicContact CD2-CD1 3.72Å; L114-L116 HydrophobicContact CD2-CG 4.31Å; L114-L116 HydrophobicContact CG-CD1 3.89Å; L114-L116 HydrophobicContact CG-CG 3.93Å; L116-N119 PolarHBondContact O-ND2 3.08Å; L116-I121 HydrophobicContact CB-CD1 3.96Å; L116-I121 HydrophobicContact CD1-CD1 4.22Å; L116-I121 HydrophobicContact CD2-CD1 4.46Å; L116-I121 HydrophobicContact CG-CD1 4.46Å; L116-L138 HydrophobicContact CD1-CD1 4.24Å; L116-H139 CarbonylContact C-O 3.38Å; L116-H139 WeakPolarHBondContact CA-O 3.1Å; L116-H139 WeakPolarHBondContact CB-O 3.46Å; L116-H139 PolarHBondContact N-O 2.89Å; L116-L140 HydrophobicContact CB-CD2 3.81Å; L116-L140 HydrophobicContact CD1-CD2 3.88Å; L116-N143 PolarHBondContact O-ND2 3.05Å
117	Q	98.5	Very high	97.6	Very high	30 Å²	30	41.4 Å²	41.4	14%	0.14	21%	0.208	C	C	.	.			trans	-62.4	160.6	180	69.2	-80.6	7.2	0	0	113	Y96 G97 H115 N119 D141	Y96-Q117 CarbonylContact C-O 3.3Å; Y96-Q117 WeakPolarHBondContact CA-O 3.28Å; Y96-Q117 VanDerWaalsContact CB-NE2 3.32Å; Y96-Q117 WeakPolarHBondContact CB-O 3.3Å; Y96-Q117 HydrophobicContact CG-CG 4.44Å; G97-Q117 PolarHBondContact N-O 3.37Å; G97-Q117 VanDerWaalsContact N-O 3.13Å; H115-Q117 VanDerWaalsContact CB-OE1 3.28Å; Q117-N119 PolarHBondContact O-N 3.28Å; Q117-N119 PolarHBondContact O-ND2 3.45Å; Q117-D141 CarbonylContact C-O 3.53Å; Q117-D141 WeakPolarHBondContact CA-O 3.38Å; Q117-D141 HydrophobicContact CB-CB 3.96Å; Q117-D141 VanDerWaalsContact CB-O 3.24Å; Q117-D141 WeakPolarHBondContact CB-O 3.21Å
118	E	98.5	Very high	97.6	Very high	110 Å²	110	41.4 Å²	41.4	51%	0.514	21%	0.208	S	C	.	.	S	Bend	trans	56.9	48.4	178.1	-56.6	173	-108.6	0	0	112.3	G97 D141 D142	G97-E118 WeakPolarHBondContact CA-O 3.44Å; G97-E118 PolarHBondContact N-O 2.95Å; G97-E118 VanDerWaalsContact N-O 3.13Å; E118-D141 PolarHBondContact N-O 3.4Å; E118-D142 WeakPolarHBondContact CA-O 3.38Å; E118-D142 HydrophobicContact CG-CB 4.14Å; E118-D142 PolarHBondContact N-O 3.26Å
119	N	98.6	Very high	97.6	Very high	6 Å²	6	41.3 Å²	41.3	3%	0.032	21%	0.207	C	C	.	.	S	Bend	trans	-125.6	-172.7	172.8	-83	-83.5	0	0	0	109.3	L95 N98 Q99 L100 L116 Q117 I121 D142 N143	L95-N119 PolarHBondContact O-ND2 3.07Å; N98-N119 WeakPolarHBondContact CA-OD1 3.33Å; N98-N119 WeakPolarHBondContact CB-OD1 3.46Å; N98-N119 PolarHBondContact N-OD1 3.49Å; N98-N119 PolarHBondContact O-OD1 2.95Å; Q99-N119 PolarHBondContact N-OD1 3.33Å; L100-N119 HydrophobicContact CB-CB 4.16Å; L100-N119 WeakPolarHBondContact CB-OD1 3.45Å; L100-N119 WeakPolarHBondContact CG-OD1 3.25Å; L100-N119 PolarHBondContact N-OD1 2.85Å; L116-N119 PolarHBondContact O-ND2 3.08Å; Q117-N119 PolarHBondContact O-N 3.28Å; Q117-N119 PolarHBondContact O-ND2 3.45Å; N119-I121 HydrophobicContact CB-CD1 4.33Å; N119-I121 HydrophobicContact CB-CG1 4.08Å; N119-D142 PolarHBondContact N-O 3.26Å; N119-N143 WeakPolarHBondContact CA-OD1 3.32Å; N119-N143 WeakPolarHBondContact CB-OD1 3.14Å; N119-N143 PolarHBondContact O-OD1 3.19Å
120	N	98.1	Very high	97.7	Very high	78 Å²	78	38.6 Å²	38.6	42%	0.417	20%	0.203	S	C	.	.			trans	-108.9	27.6	177.5	-60.1	-37.7	0	0	0	112.2	L100 Q122	L100-N120 CarbonylContact O-C 3.58Å; L100-N120 WeakPolarHBondContact O-CA 3.37Å; L100-N120 WeakPolarHBondContact O-CB 3.27Å; L100-N120 PolarHBondContact O-N 3.37Å; N120-Q122 PolarHBondContact O-N 3.28Å
121	I	98.6	Very high	97.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.206	C	C	.	.			trans	-63.3	124.4	-172.1	-61.7	170.9	0	0	0	109.1	L100 D101 L116 N119 I124 L140 N143 S144 I145	L100-I121 HydrophobicContact CB-CD1 4.38Å; L100-I121 HydrophobicContact CB-CG1 3.94Å; L100-I121 PolarHBondContact O-N 3.32Å; D101-I121 CarbonylContact O-C 3.31Å; D101-I121 WeakPolarHBondContact O-CA 3.41Å; L116-I121 HydrophobicContact CB-CD1 3.96Å; L116-I121 HydrophobicContact CD1-CD1 4.22Å; L116-I121 HydrophobicContact CD2-CD1 4.46Å; L116-I121 HydrophobicContact CG-CD1 4.46Å; N119-I121 HydrophobicContact CB-CD1 4.33Å; N119-I121 HydrophobicContact CB-CG1 4.08Å; I121-I124 HydrophobicContact CG2-CG1 4.44Å; I121-L140 HydrophobicContact CD1-CD2 3.84Å; I121-N143 HydrophobicContact CB-CB 4.35Å; I121-N143 VanDerWaalsContact CB-OD1 3.26Å; I121-N143 WeakPolarHBondContact CB-OD1 3.44Å; I121-N143 WeakPolarHBondContact CG1-OD1 3.47Å; I121-N143 PolarHBondContact N-OD1 3.31Å; I121-S144 CarbonylContact O-C 3.53Å; I121-S144 WeakPolarHBondContact O-CA 3.3Å; I121-S144 PolarHBondContact O-N 3.45Å; I121-I145 HydrophobicContact CB-CG1 4.42Å; I121-I145 HydrophobicContact CG2-CD1 4.46Å; I121-I145 HydrophobicContact CG2-CG1 4.1Å; I121-I145 VanDerWaalsContact O-CG1 3.31Å; I121-I145 WeakPolarHBondContact O-CG1 3.32Å; I121-I145 PolarHBondContact O-N 3.41Å
122	Q	97.9	Very high	97.5	Very high	100 Å²	100	39.6 Å²	39.6	47%	0.467	21%	0.206	S	C	.	.			trans	-111.5	-35.8	179.1	-72.8	170	63	0	0	111.8	D101 N120 G149	D101-Q122 PolarHBondContact O-N 2.6Å; N120-Q122 PolarHBondContact O-N 3.28Å; Q122-G149 WeakPolarHBondContact O-CA 3.17Å
123	T	97.6	Very high	97.4	Very high	52 Å²	52	38.7 Å²	38.7	32%	0.319	21%	0.209	S	C	.	.	B	Isolated β-bridge	trans	-119.1	141.2	-173.1	60.6	0	0	0	0	112.5	E102 F103 G149	E102-T123 VanDerWaalsContact CB-OG1 3.31Å; E102-T123 WeakPolarHBondContact CB-OG1 3.39Å; E102-T123 WeakPolarHBondContact CG-OG1 3.49Å; E102-T123 PolarHBondContact OE1-OG1 2.9Å; F103-T123 PolarHBondContact N-O 2.99Å; T123-G149 CarbonylContact C-O 3.56Å; T123-G149 VanDerWaalsContact CA-O 3.23Å; T123-G149 WeakPolarHBondContact CA-O 3.16Å
124	I	98.1	Very high	97.3	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.01	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-131	114.1	176	-58.3	179.8	0	0	0	107.9	F103 I121 L129 L140 I145 G149 V150 E151 A154 F155	F103-I124 HydrophobicContact CB-CG1 4.37Å; F103-I124 HydrophobicContact CB-CG2 4.47Å; F103-I124 HydrophobicContact CD2-CG1 4.49Å; F103-I124 HydrophobicContact CD2-CG2 4.37Å; I121-I124 HydrophobicContact CG2-CG1 4.44Å; I124-L129 HydrophobicContact CG2-CD1 3.53Å; I124-L129 HydrophobicContact CG2-CG 4.23Å; I124-L140 HydrophobicContact CD1-CD1 3.74Å; I124-I145 HydrophobicContact CD1-CD1 3.84Å; I124-I145 HydrophobicContact CD1-CG1 4.33Å; I124-I145 HydrophobicContact CD1-CG2 4.18Å; I124-G149 PolarHBondContact N-O 2.89Å; I124-V150 HydrophobicContact CD1-CG2 4.33Å; I124-E151 PolarHBondContact O-N 2.96Å; I124-A154 HydrophobicContact CG2-CB 4.16Å; I124-F155 HydrophobicContact CD1-CE1 3.97Å; I124-F155 HydrophobicContact CD1-CZ 3.55Å; I124-F155 HydrophobicContact CG2-CE1 4.49Å
125	S	96.9	Very high	97.3	Very high	34 Å²	34	43.7 Å²	43.7	24%	0.238	23%	0.225	C	C	.	.			trans	-94.9	148.8	178.9	65.9	0	0	0	0	112.2	A127 A128 L129 E151	S125-A127 PolarHBondContact O-N 3.11Å; S125-A128 PolarHBondContact O-N 2.9Å; S125-A128 WeakPolarHBondContact OG-CB 3.02Å; S125-A128 PolarHBondContact OG-N 2.98Å; S125-L129 PolarHBondContact O-N 3.2Å; S125-E151 WeakPolarHBondContact CA-OE2 2.95Å
126	R	96.9	Very high	97.3	Very high	96 Å²	96	45 Å²	45	36%	0.362	23%	0.231	S	C	.	.	H	α-helix	trans	-56.1	-43	171.4	-70.5	172.6	178.7	-166.5	4.7	110.9	A128 L129 A130 E151 E152 A154 E157	R126-A128 VanDerWaalsContact C-N 3.31Å; R126-A128 PolarHBondContact O-N 3.08Å; R126-L129 PolarHBondContact O-N 3.38Å; R126-A130 VanDerWaalsContact O-CB 3.29Å; R126-A130 WeakPolarHBondContact O-CB 3.29Å; R126-A130 PolarHBondContact O-N 2.83Å; R126-E151 WeakPolarHBondContact CB-OE2 3.14Å; R126-E151 HydrophobicContact CG-CB 4.03Å; R126-E151 WeakPolarHBondContact CG-OE2 3.41Å; R126-E151 PolarHBondContact N-OE2 3.01Å; R126-E152 PolarHBondContact NE-O 2.51Å; R126-E152 PolarHBondContact NH2-O 3.2Å; R126-A154 HydrophobicContact CG-CB 4.11Å; R126-E157 HydrophobicContact CB-CG 4.17Å; R126-E157 HydrophobicContact CG-CG 4.47Å
127	A	95.3	Very high	97.3	Very high	66 Å²	66	47.1 Å²	47.1	55%	0.545	24%	0.241	S	C	.	.	H	α-helix	trans	-61.7	-37	-176.4	0	0	0	0	0	112.9	S125 Q131	S125-A127 PolarHBondContact O-N 3.11Å; A127-Q131 WeakPolarHBondContact O-CG 3.33Å
128	A	95.7	Very high	97.3	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.008	23%	0.234	C	C	.	.	H	α-helix	trans	-71.7	-42.7	179.7	0	0	0	0	0	112	F103 V105 S125 R126 Q131	F103-A128 HydrophobicContact CB-CB 4.5Å; F103-A128 HydrophobicContact CD1-CB 3.64Å; F103-A128 HydrophobicContact CE1-CB 4.33Å; F103-A128 HydrophobicContact CG-CB 4.42Å; V105-A128 HydrophobicContact CG1-CB 4.04Å; S125-A128 PolarHBondContact O-N 2.9Å; S125-A128 WeakPolarHBondContact OG-CB 3.02Å; S125-A128 PolarHBondContact OG-N 2.98Å; R126-A128 VanDerWaalsContact C-N 3.31Å; R126-A128 PolarHBondContact O-N 3.08Å; A128-Q131 WeakPolarHBondContact O-CB 3.13Å; A128-Q131 PolarHBondContact O-N 2.63Å
129	L	97.1	Very high	97.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-72.6	-31.4	178.2	-75.4	170.9	0	0	0	113.1	F103 I124 S125 R126 Q131 L132 L135 L138 A154 F155 E157 A158	F103-L129 HydrophobicContact CE1-CD2 4.1Å; F103-L129 HydrophobicContact CE2-CD2 3.8Å; F103-L129 HydrophobicContact CE2-CG 4.5Å; F103-L129 HydrophobicContact CZ-CD2 3.53Å; F103-L129 HydrophobicContact CZ-CG 4.35Å; I124-L129 HydrophobicContact CG2-CD1 3.53Å; I124-L129 HydrophobicContact CG2-CG 4.23Å; S125-L129 PolarHBondContact O-N 3.2Å; R126-L129 PolarHBondContact O-N 3.38Å; L129-Q131 PolarHBondContact O-N 3.29Å; L129-Q131 VanDerWaalsContact O-N 3.13Å; L129-L132 PolarHBondContact O-N 3.08Å; L129-L135 HydrophobicContact CD2-CD2 4.35Å; L129-L138 HydrophobicContact CD2-CD2 4.16Å; L129-A154 HydrophobicContact CD1-CB 4.15Å; L129-A154 VanDerWaalsContact CD1-O 3.27Å; L129-A154 WeakPolarHBondContact CD1-O 3.36Å; L129-F155 HydrophobicContact CD1-CD1 3.78Å; L129-F155 HydrophobicContact CD1-CE1 4.2Å; L129-F155 HydrophobicContact CD1-CG 4.44Å; L129-E157 HydrophobicContact CB-CB 4.34Å; L129-A158 HydrophobicContact CD2-CB 4.48Å
130	A	95.9	Very high	97.4	Very high	38 Å²	38	41.6 Å²	41.6	31%	0.314	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-19.8	174.6	0	0	0	0	0	113.5	R126 L132 L133 E157	R126-A130 VanDerWaalsContact O-CB 3.29Å; R126-A130 WeakPolarHBondContact O-CB 3.29Å; R126-A130 PolarHBondContact O-N 2.83Å; A130-L132 VanDerWaalsContact C-N 3.28Å; A130-L133 WeakPolarHBondContact O-CD2 3.08Å; A130-E157 HydrophobicContact CB-CB 4.08Å; A130-E157 HydrophobicContact CB-CG 4.4Å
131	Q	94.4	Very high	97.4	Very high	58 Å²	58	39 Å²	39	27%	0.271	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-18.3	174.5	-67	176.1	11	0	0	113	A127 A128 L129	A127-Q131 WeakPolarHBondContact O-CG 3.33Å; A128-Q131 WeakPolarHBondContact O-CB 3.13Å; A128-Q131 PolarHBondContact O-N 2.63Å; L129-Q131 PolarHBondContact O-N 3.29Å; L129-Q131 VanDerWaalsContact O-N 3.13Å
132	L	96.4	Very high	97.4	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	22%	0.218	C	C	.	.			trans	-114.9	53.8	-167.7	-58.7	178.5	0	0	0	112.1	F103 L107 L114 L129 A130 R134 L135	F103-L132 HydrophobicContact CE1-CD1 3.9Å; F103-L132 HydrophobicContact CZ-CD1 3.98Å; L107-L132 HydrophobicContact CB-CD2 3.94Å; L107-L132 HydrophobicContact CD1-CD1 3.96Å; L114-L132 HydrophobicContact CD2-CD1 4.07Å; L129-L132 PolarHBondContact O-N 3.08Å; A130-L132 VanDerWaalsContact C-N 3.28Å; L132-R134 PolarHBondContact O-N 2.95Å; L132-L135 HydrophobicContact CB-CB 4.06Å; L132-L135 HydrophobicContact CB-CD2 4.44Å; L132-L135 HydrophobicContact CD1-CD2 4.27Å; L132-L135 VanDerWaalsContact O-CB 3.24Å; L132-L135 WeakPolarHBondContact O-CB 3.38Å; L132-L135 PolarHBondContact O-N 2.86Å
133	L	95.5	Very high	97.4	Very high	90 Å²	90	37.9 Å²	37.9	47%	0.471	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-18.5	-175.1	-58.9	177.5	0	0	0	114.7	A130 L159 S160	A130-L133 WeakPolarHBondContact O-CD2 3.08Å; L133-L159 HydrophobicContact CD2-CD1 4.29Å; L133-L159 HydrophobicContact CD2-CG 4.46Å; L133-S160 WeakPolarHBondContact O-CB 3.33Å; L133-S160 PolarHBondContact O-OG 3.26Å
134	R	97.7	Very high	97.4	Very high	134 Å²	134	37.1 Å²	37.1	51%	0.506	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	3.9	179.3	-68.1	-170.3	172.7	161.9	-5.4	113.9	N110 V111 L132 E136	N110-R134 PolarHBondContact ND2-NH1 3.04Å; N110-R134 WeakPolarHBondContact OD1-CD 3.15Å; N110-R134 PolarHBondContact OD1-NH1 2.94Å; V111-R134 CarbonylContact O-C 3.54Å; V111-R134 VanDerWaalsContact O-C 3.26Å; L132-R134 PolarHBondContact O-N 2.95Å; R134-E136 PolarHBondContact O-N 3.36Å
135	L	98.5	Very high	97.5	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.195	C	C	.	.			trans	-65.3	122.9	179.2	-170.6	66.5	0	0	0	109.7	V111 L114 L129 L132 L138 S160 L161	V111-L135 HydrophobicContact CG1-CD1 4.02Å; V111-L135 VanDerWaalsContact O-CA 3.28Å; V111-L135 WeakPolarHBondContact O-CA 3.28Å; V111-L135 PolarHBondContact O-N 3.09Å; L114-L135 HydrophobicContact CB-CD1 3.65Å; L129-L135 HydrophobicContact CD2-CD2 4.35Å; L132-L135 HydrophobicContact CB-CB 4.06Å; L132-L135 HydrophobicContact CB-CD2 4.44Å; L132-L135 HydrophobicContact CD1-CD2 4.27Å; L132-L135 VanDerWaalsContact O-CB 3.24Å; L132-L135 WeakPolarHBondContact O-CB 3.38Å; L132-L135 PolarHBondContact O-N 2.86Å; L135-L138 HydrophobicContact CD2-CB 4.1Å; L135-L138 HydrophobicContact CD2-CD1 4.34Å; L135-L138 HydrophobicContact CD2-CD2 4.13Å; L135-L138 HydrophobicContact CD2-CG 4.43Å; L135-S160 CarbonylContact O-C 3.41Å; L135-S160 WeakPolarHBondContact O-CB 3.42Å; L135-L161 HydrophobicContact CB-CD1 4.47Å; L135-L161 HydrophobicContact CD2-CD1 4.03Å; L135-L161 HydrophobicContact CG-CD1 3.83Å; L135-L161 WeakPolarHBondContact O-CA 3.28Å; L135-L161 PolarHBondContact O-N 3.06Å
136	E	98.6	Very high	97.5	Very high	50 Å²	50	37.4 Å²	37.4	23%	0.234	20%	0.197	C	C	.	.			trans	-107.2	-31.7	-179.6	-58.6	-169.7	-146.6	0	0	111.6	R112 R134 K162 M163	R112-E136 HydrophobicContact CB-CG 4.3Å; R112-E136 WeakPolarHBondContact CD-OE1 3.47Å; R112-E136 IonicContact CZ-OE1 3.38Å; R112-E136 IonicContact NE-OE1 3.43Å; R112-E136 IonicContact NH1-OE1 2.67Å; R112-E136 PolarHBondContact NH1-OE1 2.96Å; R112-E136 WeakPolarHBondContact O-CA 3.35Å; R112-E136 PolarHBondContact O-N 3.21Å; R134-E136 PolarHBondContact O-N 3.36Å; E136-K162 WeakPolarHBondContact O-CA 3.41Å; E136-K162 PolarHBondContact O-N 2.92Å; E136-K162 IonicContact OE2-NZ 2.73Å; E136-K162 PolarHBondContact OE2-NZ 3.13Å; E136-M163 PolarHBondContact O-N 3.33Å
137	E	98.9	Very high	97.4	Very high	44 Å²	44	34.8 Å²	34.8	21%	0.206	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	124.4	-174.3	-177.2	173	170.7	0	0	110.8	R112 V113 L114 H139 M163 F165	R112-E137 PolarHBondContact O-N 3.46Å; V113-E137 WeakPolarHBondContact CA-O 3.35Å; V113-E137 HydrophobicContact CB-CB 4.43Å; V113-E137 HydrophobicContact CG1-CB 4.15Å; V113-E137 HydrophobicContact CG1-CG 4.16Å; V113-E137 HydrophobicContact CG2-CB 4.15Å; L114-E137 PolarHBondContact N-O 2.94Å; E137-H139 WeakPolarHBondContact CG-NE2 3.33Å; E137-H139 IonicContact OE1-CD2 3.17Å; E137-H139 IonicContact OE1-CE1 2.93Å; E137-H139 PolarHBondContact OE1-CE1 3.14Å; E137-H139 IonicContact OE1-NE2 3.94Å; E137-H139 PolarHBondContact OE1-NE2 2.83Å; E137-M163 HydrophobicContact CB-CB 4.39Å; E137-M163 HydrophobicContact CB-CE 3.85Å; E137-M163 HydrophobicContact CG-CB 4.12Å; E137-M163 HydrophobicContact CG-CE 3.69Å; E137-M163 WeakPolarHBondContact OE2-CE 3.44Å; E137-F165 HydrophobicContact CG-CE2 4.01Å
138	L	98.9	Very high	97.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	117.7	-177.6	178.7	56	0	0	0	110.7	F103 L114 L116 L129 L135 L140 F155 L161 M163 L164 F165	F103-L138 HydrophobicContact CE2-CD1 3.99Å; F103-L138 HydrophobicContact CE2-CD2 4.05Å; F103-L138 HydrophobicContact CZ-CD1 4.41Å; L114-L138 HydrophobicContact CB-CD1 4.11Å; L114-L138 HydrophobicContact CD2-CD1 3.95Å; L114-L138 HydrophobicContact CG-CD1 4.1Å; L116-L138 HydrophobicContact CD1-CD1 4.24Å; L129-L138 HydrophobicContact CD2-CD2 4.16Å; L135-L138 HydrophobicContact CD2-CB 4.1Å; L135-L138 HydrophobicContact CD2-CD1 4.34Å; L135-L138 HydrophobicContact CD2-CD2 4.13Å; L135-L138 HydrophobicContact CD2-CG 4.43Å; L138-L140 HydrophobicContact CD1-CD1 4.29Å; L138-L140 HydrophobicContact CD1-CG 4.05Å; L138-L140 HydrophobicContact CD2-CD1 3.75Å; L138-L140 HydrophobicContact CD2-CG 4.39Å; L138-L140 HydrophobicContact CG-CD1 3.88Å; L138-L140 HydrophobicContact CG-CG 4Å; L138-F155 HydrophobicContact CD2-CE1 4.31Å; L138-L161 HydrophobicContact CB-CD1 3.77Å; L138-M163 PolarHBondContact N-O 2.92Å; L138-L164 HydrophobicContact CB-CD1 4.28Å; L138-L164 HydrophobicContact CD2-CD1 3.99Å; L138-L164 HydrophobicContact CG-CD1 4.19Å; L138-F165 PolarHBondContact O-N 2.64Å
139	H	98.9	Very high	97.4	Very high	30 Å²	30	38.7 Å²	38.7	14%	0.139	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	118.9	174	-57.4	-111.1	0	0	0	109.8	L114 H115 L116 E137 D141 F165	L114-H139 PolarHBondContact O-N 3.04Å; H115-H139 AromaticContact CE1-CD2 3.42Å; H115-H139 PolarHBondContact CE1-CD2 3.09Å; H115-H139 VanDerWaalsContact CE1-CD2 3.42Å; H115-H139 AromaticContact CE1-CE1 3.85Å; H115-H139 AromaticContact CE1-NE2 3.31Å; H115-H139 PolarHBondContact CE1-NE2 2.99Å; H115-H139 VanDerWaalsContact CE1-NE2 3.31Å; H115-H139 AromaticContact ND1-CD2 3.25Å; H115-H139 PolarHBondContact ND1-CD2 3.18Å; H115-H139 AromaticContact ND1-CE1 3.98Å; H115-H139 AromaticContact ND1-CG 3.48Å; H115-H139 AromaticContact ND1-ND1 3.91Å; H115-H139 AromaticContact ND1-NE2 3.58Å; L116-H139 CarbonylContact C-O 3.38Å; L116-H139 WeakPolarHBondContact CA-O 3.1Å; L116-H139 WeakPolarHBondContact CB-O 3.46Å; L116-H139 PolarHBondContact N-O 2.89Å; E137-H139 WeakPolarHBondContact CG-NE2 3.33Å; E137-H139 IonicContact OE1-CD2 3.17Å; E137-H139 IonicContact OE1-CE1 2.93Å; E137-H139 PolarHBondContact OE1-CE1 3.14Å; E137-H139 IonicContact OE1-NE2 3.94Å; E137-H139 PolarHBondContact OE1-NE2 2.83Å; H139-D141 IonicContact ND1-OD2 3.95Å; H139-F165 HydrophobicContact CB-CD2 4.43Å; H139-F165 AromaticContact CD2-CD2 3.92Å; H139-F165 AromaticContact CE1-CD2 3.33Å; H139-F165 WeakPolarHBondContact CE1-CD2 3.23Å; H139-F165 AromaticContact CE1-CE2 3.31Å; H139-F165 WeakPolarHBondContact CE1-CE2 3.49Å; H139-F165 AromaticContact CG-CD2 3.67Å; H139-F165 AromaticContact ND1-CD2 3.33Å; H139-F165 VanDerWaalsContact ND1-CD2 3.33Å; H139-F165 WeakPolarHBondContact ND1-CD2 3.49Å; H139-F165 AromaticContact ND1-CE2 3.83Å; H139-F165 AromaticContact NE2-CD2 3.7Å; H139-F165 AromaticContact NE2-CE2 3.57Å
140	L	98.8	Very high	97.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.215	C	C	.	.			trans	-128.3	24.7	177.3	-73.6	165.9	0	0	0	110.7	F103 L116 I121 I124 L138 N143 I145 F155 F165 L166 N169	F103-L140 HydrophobicContact CD2-CD2 4.39Å; L116-L140 HydrophobicContact CB-CD2 3.81Å; L116-L140 HydrophobicContact CD1-CD2 3.88Å; I121-L140 HydrophobicContact CD1-CD2 3.84Å; I124-L140 HydrophobicContact CD1-CD1 3.74Å; L138-L140 HydrophobicContact CD1-CD1 4.29Å; L138-L140 HydrophobicContact CD1-CG 4.05Å; L138-L140 HydrophobicContact CD2-CD1 3.75Å; L138-L140 HydrophobicContact CD2-CG 4.39Å; L138-L140 HydrophobicContact CG-CD1 3.88Å; L138-L140 HydrophobicContact CG-CG 4Å; L140-N143 PolarHBondContact O-ND2 3.49Å; L140-I145 HydrophobicContact CB-CD1 3.81Å; L140-I145 HydrophobicContact CD1-CD1 4.09Å; L140-I145 HydrophobicContact CD2-CD1 4.2Å; L140-I145 HydrophobicContact CG-CD1 4.27Å; L140-F155 HydrophobicContact CD1-CE1 4.18Å; L140-F155 HydrophobicContact CD1-CZ 4.5Å; L140-F165 CarbonylContact C-O 3.02Å; L140-F165 WeakPolarHBondContact CA-O 3.31Å; L140-F165 WeakPolarHBondContact CB-O 3.32Å; L140-F165 PolarHBondContact N-O 3.36Å; L140-L166 HydrophobicContact CB-CD2 3.84Å; L140-L166 HydrophobicContact CD1-CD2 3.9Å; L140-N169 PolarHBondContact O-ND2 3.09Å
141	D	98.6	Very high	97.5	Very high	23 Å²	23	42 Å²	42	12%	0.123	22%	0.221	C	C	.	.			trans	-65	154.8	-177.8	-47.1	-79.9	0	0	0	111.9	Q117 E118 H139 N143 F165 T167	Q117-D141 CarbonylContact C-O 3.53Å; Q117-D141 WeakPolarHBondContact CA-O 3.38Å; Q117-D141 HydrophobicContact CB-CB 3.96Å; Q117-D141 VanDerWaalsContact CB-O 3.24Å; Q117-D141 WeakPolarHBondContact CB-O 3.21Å; E118-D141 PolarHBondContact N-O 3.4Å; H139-D141 IonicContact ND1-OD2 3.95Å; D141-N143 PolarHBondContact O-N 3.21Å; D141-N143 PolarHBondContact O-ND2 2.98Å; D141-F165 VanDerWaalsContact OD1-CB 3.29Å; D141-F165 WeakPolarHBondContact OD1-CB 3.14Å; D141-F165 WeakPolarHBondContact OD2-CB 3.46Å; D141-T167 CarbonylContact C-O 3.54Å; D141-T167 WeakPolarHBondContact CA-O 3.29Å; D141-T167 WeakPolarHBondContact OD1-CB 3.13Å; D141-T167 PolarHBondContact OD1-N 2.8Å; D141-T167 VanDerWaalsContact OD1-N 3.1Å; D141-T167 PolarHBondContact OD1-OG1 2.9Å
142	D	98.6	Very high	97.4	Very high	69 Å²	69	45.6 Å²	45.6	37%	0.369	24%	0.238	S	C	.	.	S	Bend	trans	50.9	53.9	176.6	-75.3	-78.4	0	0	0	111.7	E118 N119 T167 K168	E118-D142 WeakPolarHBondContact CA-O 3.38Å; E118-D142 HydrophobicContact CG-CB 4.14Å; E118-D142 PolarHBondContact N-O 3.26Å; N119-D142 PolarHBondContact N-O 3.26Å; D142-T167 PolarHBondContact N-O 3.15Å; D142-K168 WeakPolarHBondContact CA-O 3.12Å; D142-K168 VanDerWaalsContact CG-CD 3.45Å; D142-K168 WeakPolarHBondContact OD1-CD 3.45Å; D142-K168 IonicContact OD1-NZ 3.34Å; D142-K168 PolarHBondContact OD1-NZ 3.33Å; D142-K168 VanDerWaalsContact OD1-NZ 3.08Å; D142-K168 WeakPolarHBondContact OD2-CD 3.36Å; D142-K168 IonicContact OD2-NZ 2.98Å; D142-K168 PolarHBondContact OD2-NZ 3.35Å
143	N	98.7	Very high	97.3	Very high	7 Å²	7	45.7 Å²	45.7	4%	0.037	24%	0.239	C	C	.	.	S	Bend	trans	-125.3	-173.9	175.5	-86.6	-84.6	0	0	0	110.3	L116 N119 I121 L140 D141 I145 K168 N169	L116-N143 PolarHBondContact O-ND2 3.05Å; N119-N143 WeakPolarHBondContact CA-OD1 3.32Å; N119-N143 WeakPolarHBondContact CB-OD1 3.14Å; N119-N143 PolarHBondContact O-OD1 3.19Å; I121-N143 HydrophobicContact CB-CB 4.35Å; I121-N143 VanDerWaalsContact CB-OD1 3.26Å; I121-N143 WeakPolarHBondContact CB-OD1 3.44Å; I121-N143 WeakPolarHBondContact CG1-OD1 3.47Å; I121-N143 PolarHBondContact N-OD1 3.31Å; L140-N143 PolarHBondContact O-ND2 3.49Å; D141-N143 PolarHBondContact O-N 3.21Å; D141-N143 PolarHBondContact O-ND2 2.98Å; N143-I145 HydrophobicContact CB-CD1 4.18Å; N143-I145 HydrophobicContact CB-CG1 4.16Å; N143-K168 PolarHBondContact N-O 3.17Å; N143-N169 WeakPolarHBondContact CA-OD1 3.26Å; N143-N169 WeakPolarHBondContact CB-OD1 3.3Å; N143-N169 PolarHBondContact O-OD1 2.95Å
144	S	98.1	Very high	97.4	Very high	37 Å²	37	41.4 Å²	41.4	26%	0.259	22%	0.216	S	C	.	.			trans	-110.4	28.8	-179.2	-65.5	0	0	0	0	113	I121 S146	I121-S144 CarbonylContact O-C 3.53Å; I121-S144 WeakPolarHBondContact O-CA 3.3Å; I121-S144 PolarHBondContact O-N 3.45Å; S144-S146 PolarHBondContact O-N 3.04Å
145	I	98.5	Very high	97.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.192	C	C	.	.			trans	-70.8	126.2	-173	-58	160.8	0	0	0	109.8	I121 I124 L140 N143 V150 L166 N169 H170 L171	I121-I145 HydrophobicContact CB-CG1 4.42Å; I121-I145 HydrophobicContact CG2-CD1 4.46Å; I121-I145 HydrophobicContact CG2-CG1 4.1Å; I121-I145 VanDerWaalsContact O-CG1 3.31Å; I121-I145 WeakPolarHBondContact O-CG1 3.32Å; I121-I145 PolarHBondContact O-N 3.41Å; I124-I145 HydrophobicContact CD1-CD1 3.84Å; I124-I145 HydrophobicContact CD1-CG1 4.33Å; I124-I145 HydrophobicContact CD1-CG2 4.18Å; L140-I145 HydrophobicContact CB-CD1 3.81Å; L140-I145 HydrophobicContact CD1-CD1 4.09Å; L140-I145 HydrophobicContact CD2-CD1 4.2Å; L140-I145 HydrophobicContact CG-CD1 4.27Å; N143-I145 HydrophobicContact CB-CD1 4.18Å; N143-I145 HydrophobicContact CB-CG1 4.16Å; I145-V150 HydrophobicContact CG2-CG2 3.54Å; I145-L166 HydrophobicContact CD1-CD2 3.73Å; I145-N169 HydrophobicContact CB-CB 4.25Å; I145-N169 VanDerWaalsContact CB-OD1 3.28Å; I145-N169 WeakPolarHBondContact CB-OD1 3.34Å; I145-N169 WeakPolarHBondContact CD1-OD1 3.44Å; I145-N169 WeakPolarHBondContact CG1-OD1 3.5Å; I145-N169 PolarHBondContact N-OD1 3.46Å; I145-H170 CarbonylContact O-C 3.31Å; I145-H170 VanDerWaalsContact O-CA 3.26Å; I145-H170 WeakPolarHBondContact O-CA 3.06Å; I145-H170 PolarHBondContact O-N 3.5Å; I145-L171 HydrophobicContact CG2-CD2 4.14Å; I145-L171 PolarHBondContact O-N 3.35Å
146	S	97.3	Very high	97.3	Very high	42 Å²	42	40.9 Å²	40.9	29%	0.294	21%	0.214	S	C	.	.	B	Isolated β-bridge	trans	-110.2	162.4	174.1	71.4	0	0	0	0	111.2	S144 V148 G149 V150	S144-S146 PolarHBondContact O-N 3.04Å; S146-V148 PolarHBondContact O-N 2.95Å; S146-G149 PolarHBondContact O-N 3.47Å; S146-G149 PolarHBondContact OG-N 3.41Å; S146-V150 PolarHBondContact O-N 2.91Å
147	T	95.2	Very high	97.2	Very high	41 Å²	41	41.7 Å²	41.7	25%	0.252	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-35.7	178.1	43.2	0	0	0	0	113.1	G149 L171 S173	T147-G149 VanDerWaalsContact C-N 3.33Å; T147-L171 HydrophobicContact CG2-CB 4.47Å; T147-L171 HydrophobicContact CG2-CD2 4.19Å; T147-S173 VanDerWaalsContact CG2-O 3.29Å; T147-S173 WeakPolarHBondContact CG2-O 3.49Å; T147-S173 WeakPolarHBondContact CG2-OG 3.18Å
148	V	95	Very high	97.1	Very high	137 Å²	137	39.6 Å²	39.6	83%	0.83	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-26.9	177.2	-177.9	0	0	0	0	111.4	S146 V150	S146-V148 PolarHBondContact O-N 2.95Å; V148-V150 VanDerWaalsContact C-N 3.3Å
149	G	95.8	Very high	96.9	Very high	12 Å²	12	44.9 Å²	44.9	12%	0.124	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-19.6	177	0	0	0	0	0	113.8	Q122 T123 I124 S146 T147	Q122-G149 WeakPolarHBondContact O-CA 3.17Å; T123-G149 CarbonylContact C-O 3.56Å; T123-G149 VanDerWaalsContact CA-O 3.23Å; T123-G149 WeakPolarHBondContact CA-O 3.16Å; I124-G149 PolarHBondContact N-O 2.89Å; S146-G149 PolarHBondContact O-N 3.47Å; S146-G149 PolarHBondContact OG-N 3.41Å; T147-G149 VanDerWaalsContact C-N 3.33Å
150	V	97.9	Very high	96.8	Very high	14 Å²	14	45.6 Å²	45.6	9%	0.085	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-89.7	115.5	175.2	-177	0	0	0	0	109	I124 I145 S146 V148 E152 A154 F155 P175	I124-V150 HydrophobicContact CD1-CG2 4.33Å; I145-V150 HydrophobicContact CG2-CG2 3.54Å; S146-V150 PolarHBondContact O-N 2.91Å; V148-V150 VanDerWaalsContact C-N 3.3Å; V150-E152 PolarHBondContact O-N 3.1Å; V150-A154 HydrophobicContact CG1-CB 4.28Å; V150-F155 HydrophobicContact CG1-CD2 4.03Å; V150-F155 HydrophobicContact CG1-CE2 3.62Å; V150-F155 HydrophobicContact CG1-CZ 4.42Å; V150-F155 HydrophobicContact CG2-CE2 4.23Å; V150-P175 HydrophobicContact CG1-CB 4.49Å
151	E	96.9	Very high	96.8	Very high	92 Å²	92	45.6 Å²	45.6	43%	0.43	24%	0.244	S	C	.	.			trans	-58.7	135.2	169.9	-73.8	-178.1	-175.9	0	0	109.7	I124 S125 R126 G153 A154	I124-E151 PolarHBondContact O-N 2.96Å; S125-E151 WeakPolarHBondContact CA-OE2 2.95Å; R126-E151 WeakPolarHBondContact CB-OE2 3.14Å; R126-E151 HydrophobicContact CG-CB 4.03Å; R126-E151 WeakPolarHBondContact CG-OE2 3.41Å; R126-E151 PolarHBondContact N-OE2 3.01Å; E151-G153 PolarHBondContact O-N 3.2Å; E151-A154 HydrophobicContact CB-CB 4.19Å; E151-A154 WeakPolarHBondContact O-CB 3.26Å; E151-A154 PolarHBondContact O-N 3.47Å
152	E	93.1	Very high	96.8	Very high	135 Å²	135	48 Å²	48	63%	0.631	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	126.3	-176.2	-178.1	-175.6	171.4	0	0	110.7	R126 V150 A154	R126-E152 PolarHBondContact NE-O 2.51Å; R126-E152 PolarHBondContact NH2-O 3.2Å; V150-E152 PolarHBondContact O-N 3.1Å; E152-A154 PolarHBondContact O-N 3.43Å
153	G	93.8	Very high	96.8	Very high	2 Å²	2	47.3 Å²	47.3	2%	0.021	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	16.1	-178.5	0	0	0	0	0	116.3	E151 F155 R156 I176	E151-G153 PolarHBondContact O-N 3.2Å; G153-F155 VanDerWaalsContact C-N 3.29Å; G153-F155 PolarHBondContact O-N 3.31Å; G153-R156 WeakPolarHBondContact O-CB 3.42Å; G153-R156 PolarHBondContact O-N 3.43Å; G153-I176 WeakPolarHBondContact CA-O 3.18Å; G153-I176 PolarHBondContact N-O 2.93Å
154	A	97.4	Very high	96.8	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-42.4	173.9	0	0	0	0	0	112.6	I124 R126 L129 V150 E151 E152 R156 E157	I124-A154 HydrophobicContact CG2-CB 4.16Å; R126-A154 HydrophobicContact CG-CB 4.11Å; L129-A154 HydrophobicContact CD1-CB 4.15Å; L129-A154 VanDerWaalsContact CD1-O 3.27Å; L129-A154 WeakPolarHBondContact CD1-O 3.36Å; V150-A154 HydrophobicContact CG1-CB 4.28Å; E151-A154 HydrophobicContact CB-CB 4.19Å; E151-A154 WeakPolarHBondContact O-CB 3.26Å; E151-A154 PolarHBondContact O-N 3.47Å; E152-A154 PolarHBondContact O-N 3.43Å; A154-R156 VanDerWaalsContact C-N 3.31Å; A154-R156 PolarHBondContact O-N 3.34Å; A154-E157 WeakPolarHBondContact O-CB 3.14Å; A154-E157 PolarHBondContact O-N 2.8Å
155	F	97.6	Very high	96.9	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.009	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-66.6	-30.5	178.6	-64.4	-65.9	0	0	0	113.3	I124 L129 L138 L140 V150 G153 E157 A158 L164 L166 P175 P179	I124-F155 HydrophobicContact CD1-CE1 3.97Å; I124-F155 HydrophobicContact CD1-CZ 3.55Å; I124-F155 HydrophobicContact CG2-CE1 4.49Å; L129-F155 HydrophobicContact CD1-CD1 3.78Å; L129-F155 HydrophobicContact CD1-CE1 4.2Å; L129-F155 HydrophobicContact CD1-CG 4.44Å; L138-F155 HydrophobicContact CD2-CE1 4.31Å; L140-F155 HydrophobicContact CD1-CE1 4.18Å; L140-F155 HydrophobicContact CD1-CZ 4.5Å; V150-F155 HydrophobicContact CG1-CD2 4.03Å; V150-F155 HydrophobicContact CG1-CE2 3.62Å; V150-F155 HydrophobicContact CG1-CZ 4.42Å; V150-F155 HydrophobicContact CG2-CE2 4.23Å; G153-F155 VanDerWaalsContact C-N 3.29Å; G153-F155 PolarHBondContact O-N 3.31Å; F155-E157 PolarHBondContact O-N 3.37Å; F155-A158 PolarHBondContact O-N 3.02Å; F155-L164 HydrophobicContact CD1-CD1 4.17Å; F155-L164 HydrophobicContact CD1-CD2 3.91Å; F155-L164 HydrophobicContact CD2-CD2 4.33Å; F155-L164 HydrophobicContact CE1-CD1 3.85Å; F155-L164 HydrophobicContact CE1-CD2 4.12Å; F155-L164 HydrophobicContact CG-CD2 4.03Å; F155-L164 HydrophobicContact CZ-CD1 4.47Å; F155-L164 HydrophobicContact CZ-CD2 4.4Å; F155-L166 HydrophobicContact CE2-CD1 4.29Å; F155-L166 HydrophobicContact CZ-CD1 4.07Å; F155-L166 HydrophobicContact CZ-CD2 4.24Å; F155-P175 HydrophobicContact CD2-CB 4.29Å; F155-P175 HydrophobicContact CE2-CB 4.28Å; F155-P175 HydrophobicContact CE2-CG 4.21Å; F155-P179 HydrophobicContact CB-CG 4.46Å; F155-P179 WeakPolarHBondContact O-CG 3.13Å
156	R	96.4	Very high	96.9	Very high	122 Å²	122	45.7 Å²	45.7	46%	0.46	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-61.2	-24.7	176.4	-170.8	169.4	59.7	-151.8	-4.5	113.2	G153 A154 A158 G177	G153-R156 WeakPolarHBondContact O-CB 3.42Å; G153-R156 PolarHBondContact O-N 3.43Å; A154-R156 VanDerWaalsContact C-N 3.31Å; A154-R156 PolarHBondContact O-N 3.34Å; R156-A158 PolarHBondContact O-N 2.9Å; R156-G177 WeakPolarHBondContact CB-O 3.34Å; R156-G177 PolarHBondContact N-O 2.73Å; R156-G177 VanDerWaalsContact N-O 3.1Å
157	E	96.8	Very high	96.9	Very high	66 Å²	66	44.4 Å²	44.4	31%	0.308	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-67.4	-24.1	176	-59.5	-61.4	147.2	0	0	112.4	R126 L129 A130 A154 F155 L159	R126-E157 HydrophobicContact CB-CG 4.17Å; R126-E157 HydrophobicContact CG-CG 4.47Å; L129-E157 HydrophobicContact CB-CB 4.34Å; A130-E157 HydrophobicContact CB-CB 4.08Å; A130-E157 HydrophobicContact CB-CG 4.4Å; A154-E157 WeakPolarHBondContact O-CB 3.14Å; A154-E157 PolarHBondContact O-N 2.8Å; F155-E157 PolarHBondContact O-N 3.37Å; E157-L159 VanDerWaalsContact C-N 3.32Å; E157-L159 PolarHBondContact O-N 2.92Å
158	A	96.5	Very high	97.1	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.235	C	C	.	.			trans	-83.1	74.7	174.9	0	0	0	0	0	110.7	L129 F155 R156 S160 L161	L129-A158 HydrophobicContact CD2-CB 4.48Å; F155-A158 PolarHBondContact O-N 3.02Å; R156-A158 PolarHBondContact O-N 2.9Å; A158-S160 PolarHBondContact O-N 3.12Å; A158-S160 VanDerWaalsContact O-N 3.08Å; A158-L161 HydrophobicContact CB-CB 3.93Å; A158-L161 HydrophobicContact CB-CD2 4.32Å; A158-L161 WeakPolarHBondContact O-CB 3.45Å; A158-L161 PolarHBondContact O-N 3.45Å
159	L	94.8	Very high	97.3	Very high	112 Å²	112	40.7 Å²	40.7	59%	0.586	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-29	-169.9	-58.9	178.3	0	0	0	115.4	L133 E157	L133-L159 HydrophobicContact CD2-CD1 4.29Å; L133-L159 HydrophobicContact CD2-CG 4.46Å; E157-L159 VanDerWaalsContact C-N 3.32Å; E157-L159 PolarHBondContact O-N 2.92Å
160	S	97.6	Very high	97.4	Very high	44 Å²	44	43.4 Å²	43.4	31%	0.308	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	3.3	-178.1	-57.6	0	0	0	0	113.7	L133 L135 A158 K162	L133-S160 WeakPolarHBondContact O-CB 3.33Å; L133-S160 PolarHBondContact O-OG 3.26Å; L135-S160 CarbonylContact O-C 3.41Å; L135-S160 WeakPolarHBondContact O-CB 3.42Å; A158-S160 PolarHBondContact O-N 3.12Å; A158-S160 VanDerWaalsContact O-N 3.08Å; S160-K162 PolarHBondContact O-N 2.94Å
161	L	98.5	Very high	97.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.202	C	C	.	.			trans	-72.2	123.5	-168.9	-167.4	72.4	0	0	0	111.1	L135 L138 A158 L164 P179 L182	L135-L161 HydrophobicContact CB-CD1 4.47Å; L135-L161 HydrophobicContact CD2-CD1 4.03Å; L135-L161 HydrophobicContact CG-CD1 3.83Å; L135-L161 WeakPolarHBondContact O-CA 3.28Å; L135-L161 PolarHBondContact O-N 3.06Å; L138-L161 HydrophobicContact CB-CD1 3.77Å; A158-L161 HydrophobicContact CB-CB 3.93Å; A158-L161 HydrophobicContact CB-CD2 4.32Å; A158-L161 WeakPolarHBondContact O-CB 3.45Å; A158-L161 PolarHBondContact O-N 3.45Å; L161-L164 HydrophobicContact CD2-CB 4.2Å; L161-L164 HydrophobicContact CD2-CD1 4.33Å; L161-L164 HydrophobicContact CD2-CD2 4.5Å; L161-P179 HydrophobicContact CB-CB 4.38Å; L161-P179 HydrophobicContact CB-CG 3.93Å; L161-P179 HydrophobicContact CD2-CG 3.95Å; L161-P179 HydrophobicContact CG-CG 4.4Å; L161-L182 HydrophobicContact CG-CD1 4.38Å
162	K	98.6	Very high	97.4	Very high	74 Å²	74	41.3 Å²	41.3	32%	0.322	20%	0.202	S	C	.	.			trans	-111.7	-31.8	-177.9	-65.3	168.8	-168.4	162.4	0	112.2	E136 S160 K183 E184	E136-K162 WeakPolarHBondContact O-CA 3.41Å; E136-K162 PolarHBondContact O-N 2.92Å; E136-K162 IonicContact OE2-NZ 2.73Å; E136-K162 PolarHBondContact OE2-NZ 3.13Å; S160-K162 PolarHBondContact O-N 2.94Å; K162-K183 HydrophobicContact CB-CD 4.47Å; K162-K183 HydrophobicContact CB-CG 4.34Å; K162-K183 WeakPolarHBondContact O-CA 3.33Å; K162-K183 WeakPolarHBondContact O-CB 3.06Å; K162-K183 PolarHBondContact O-N 2.77Å; K162-E184 PolarHBondContact O-N 3.27Å
163	M	98.9	Very high	97.7	Very high	55 Å²	55	36.9 Å²	36.9	27%	0.271	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	121.6	-176.9	-62.3	-172.7	-74.1	0	0	109.6	E136 E137 L138 F165 E184	E136-M163 PolarHBondContact O-N 3.33Å; E137-M163 HydrophobicContact CB-CB 4.39Å; E137-M163 HydrophobicContact CB-CE 3.85Å; E137-M163 HydrophobicContact CG-CB 4.12Å; E137-M163 HydrophobicContact CG-CE 3.69Å; E137-M163 WeakPolarHBondContact OE2-CE 3.44Å; L138-M163 PolarHBondContact N-O 2.92Å; M163-F165 HydrophobicContact CB-CE1 4.48Å; M163-F165 HydrophobicContact CB-CE2 3.95Å; M163-F165 HydrophobicContact CB-CZ 3.79Å; M163-F165 HydrophobicContact CG-CZ 4.38Å; M163-F165 HydrophobicContact SD-CZ 4.14Å; M163-E184 WeakPolarHBondContact CA-O 3.21Å; M163-E184 HydrophobicContact CG-CB 4.2Å
164	L	98.9	Very high	97.9	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	115.5	179.1	178.2	57.2	0	0	0	109.3	L138 F155 L161 L166 L178 L182 E184 L185 R186	L138-L164 HydrophobicContact CB-CD1 4.28Å; L138-L164 HydrophobicContact CD2-CD1 3.99Å; L138-L164 HydrophobicContact CG-CD1 4.19Å; F155-L164 HydrophobicContact CD1-CD1 4.17Å; F155-L164 HydrophobicContact CD1-CD2 3.91Å; F155-L164 HydrophobicContact CD2-CD2 4.33Å; F155-L164 HydrophobicContact CE1-CD1 3.85Å; F155-L164 HydrophobicContact CE1-CD2 4.12Å; F155-L164 HydrophobicContact CG-CD2 4.03Å; F155-L164 HydrophobicContact CZ-CD1 4.47Å; F155-L164 HydrophobicContact CZ-CD2 4.4Å; L161-L164 HydrophobicContact CD2-CB 4.2Å; L161-L164 HydrophobicContact CD2-CD1 4.33Å; L161-L164 HydrophobicContact CD2-CD2 4.5Å; L164-L166 HydrophobicContact CD1-CD1 4.13Å; L164-L166 HydrophobicContact CD1-CG 4.07Å; L164-L166 HydrophobicContact CD2-CD1 3.87Å; L164-L166 HydrophobicContact CG-CD1 3.86Å; L164-L166 HydrophobicContact CG-CG 4.14Å; L164-L178 HydrophobicContact CD2-CD2 4.09Å; L164-L182 HydrophobicContact CB-CD1 3.83Å; L164-E184 PolarHBondContact N-O 3.27Å; L164-L185 HydrophobicContact CB-CD1 4.1Å; L164-L185 HydrophobicContact CD2-CD1 3.98Å; L164-L185 HydrophobicContact CG-CD1 4.02Å; L164-L185 WeakPolarHBondContact O-CA 3.48Å; L164-R186 PolarHBondContact O-N 3.23Å
165	F	98.9	Very high	97.8	Very high	9 Å²	9	37.6 Å²	37.6	4%	0.039	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	115.5	180	-48.5	-62.8	0	0	0	109.8	E137 L138 H139 L140 D141 M163 E184 R186	E137-F165 HydrophobicContact CG-CE2 4.01Å; L138-F165 PolarHBondContact O-N 2.64Å; H139-F165 HydrophobicContact CB-CD2 4.43Å; H139-F165 AromaticContact CD2-CD2 3.92Å; H139-F165 AromaticContact CE1-CD2 3.33Å; H139-F165 WeakPolarHBondContact CE1-CD2 3.23Å; H139-F165 AromaticContact CE1-CE2 3.31Å; H139-F165 WeakPolarHBondContact CE1-CE2 3.49Å; H139-F165 AromaticContact CG-CD2 3.67Å; H139-F165 AromaticContact ND1-CD2 3.33Å; H139-F165 VanDerWaalsContact ND1-CD2 3.33Å; H139-F165 WeakPolarHBondContact ND1-CD2 3.49Å; H139-F165 AromaticContact ND1-CE2 3.83Å; H139-F165 AromaticContact NE2-CD2 3.7Å; H139-F165 AromaticContact NE2-CE2 3.57Å; L140-F165 CarbonylContact C-O 3.02Å; L140-F165 WeakPolarHBondContact CA-O 3.31Å; L140-F165 WeakPolarHBondContact CB-O 3.32Å; L140-F165 PolarHBondContact N-O 3.36Å; D141-F165 VanDerWaalsContact OD1-CB 3.29Å; D141-F165 WeakPolarHBondContact OD1-CB 3.14Å; D141-F165 WeakPolarHBondContact OD2-CB 3.46Å; M163-F165 HydrophobicContact CB-CE1 4.48Å; M163-F165 HydrophobicContact CB-CE2 3.95Å; M163-F165 HydrophobicContact CB-CZ 3.79Å; M163-F165 HydrophobicContact CG-CZ 4.38Å; M163-F165 HydrophobicContact SD-CZ 4.14Å; F165-E184 HydrophobicContact CE1-CG 3.98Å; F165-R186 HydrophobicContact CD1-CB 3.95Å; F165-R186 HydrophobicContact CD1-CG 3.62Å; F165-R186 HydrophobicContact CE1-CG 4.03Å
166	L	98.8	Very high	97.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.206	C	C	.	.			trans	-126.4	26.7	-177.9	-73.9	162.9	0	0	0	110	L140 I145 F155 L164 N169 L171 R186 L187 N190	L140-L166 HydrophobicContact CB-CD2 3.84Å; L140-L166 HydrophobicContact CD1-CD2 3.9Å; I145-L166 HydrophobicContact CD1-CD2 3.73Å; F155-L166 HydrophobicContact CE2-CD1 4.29Å; F155-L166 HydrophobicContact CZ-CD1 4.07Å; F155-L166 HydrophobicContact CZ-CD2 4.24Å; L164-L166 HydrophobicContact CD1-CD1 4.13Å; L164-L166 HydrophobicContact CD1-CG 4.07Å; L164-L166 HydrophobicContact CD2-CD1 3.87Å; L164-L166 HydrophobicContact CG-CD1 3.86Å; L164-L166 HydrophobicContact CG-CG 4.14Å; L166-N169 PolarHBondContact O-ND2 3.05Å; L166-N169 VanDerWaalsContact O-ND2 3.1Å; L166-L171 HydrophobicContact CB-CD1 4.11Å; L166-L171 HydrophobicContact CD1-CD1 4.18Å; L166-R186 WeakPolarHBondContact CA-O 3.4Å; L166-R186 WeakPolarHBondContact CB-O 3.5Å; L166-R186 PolarHBondContact N-O 2.53Å; L166-L187 HydrophobicContact CB-CD2 3.87Å; L166-L187 HydrophobicContact CD1-CD2 3.89Å; L166-N190 PolarHBondContact O-ND2 3.44Å
167	T	98.6	Very high	97.4	Very high	15 Å²	15	35.5 Å²	35.5	9%	0.092	19%	0.19	C	C	.	.			trans	-61.5	142.4	-178.1	-58.9	0	0	0	0	110.4	D141 D142 N169 D188	D141-T167 CarbonylContact C-O 3.54Å; D141-T167 WeakPolarHBondContact CA-O 3.29Å; D141-T167 WeakPolarHBondContact OD1-CB 3.13Å; D141-T167 PolarHBondContact OD1-N 2.8Å; D141-T167 VanDerWaalsContact OD1-N 3.1Å; D141-T167 PolarHBondContact OD1-OG1 2.9Å; D142-T167 PolarHBondContact N-O 3.15Å; T167-N169 PolarHBondContact O-ND2 3.08Å; T167-D188 CarbonylContact C-O 3.53Å; T167-D188 VanDerWaalsContact CA-O 3.29Å; T167-D188 WeakPolarHBondContact CA-O 3.35Å; T167-D188 VanDerWaalsContact CG2-CG 3.45Å; T167-D188 WeakPolarHBondContact CG2-OD2 3.37Å; T167-D188 PolarHBondContact OG1-OD1 2.89Å
168	K	98.5	Very high	97.4	Very high	97 Å²	97	32.6 Å²	32.6	42%	0.422	18%	0.177	S	C	.	.	S	Bend	trans	52.7	58.3	179.5	-62.5	172.2	-172.3	169.7	0	114.3	D142 N143 D188 E189	D142-K168 WeakPolarHBondContact CA-O 3.12Å; D142-K168 VanDerWaalsContact CG-CD 3.45Å; D142-K168 WeakPolarHBondContact OD1-CD 3.45Å; D142-K168 IonicContact OD1-NZ 3.34Å; D142-K168 PolarHBondContact OD1-NZ 3.33Å; D142-K168 VanDerWaalsContact OD1-NZ 3.08Å; D142-K168 WeakPolarHBondContact OD2-CD 3.36Å; D142-K168 IonicContact OD2-NZ 2.98Å; D142-K168 PolarHBondContact OD2-NZ 3.35Å; N143-K168 PolarHBondContact N-O 3.17Å; K168-D188 PolarHBondContact N-O 2.95Å; K168-E189 VanDerWaalsContact CA-O 3.28Å; K168-E189 WeakPolarHBondContact CA-O 3.24Å; K168-E189 HydrophobicContact CB-CB 4.32Å; K168-E189 HydrophobicContact CG-CB 3.45Å; K168-E189 VanDerWaalsContact CG-CB 3.45Å; K168-E189 HydrophobicContact CG-CG 4.08Å
169	N	98.6	Very high	97.4	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.016	18%	0.177	C	C	.	.	S	Bend	trans	-116	-163.4	170.7	-85.3	-81.8	0	0	0	110.3	L140 N143 I145 L166 T167 L171 N190	L140-N169 PolarHBondContact O-ND2 3.09Å; N143-N169 WeakPolarHBondContact CA-OD1 3.26Å; N143-N169 WeakPolarHBondContact CB-OD1 3.3Å; N143-N169 PolarHBondContact O-OD1 2.95Å; I145-N169 HydrophobicContact CB-CB 4.25Å; I145-N169 VanDerWaalsContact CB-OD1 3.28Å; I145-N169 WeakPolarHBondContact CB-OD1 3.34Å; I145-N169 WeakPolarHBondContact CD1-OD1 3.44Å; I145-N169 WeakPolarHBondContact CG1-OD1 3.5Å; I145-N169 PolarHBondContact N-OD1 3.46Å; L166-N169 PolarHBondContact O-ND2 3.05Å; L166-N169 VanDerWaalsContact O-ND2 3.1Å; T167-N169 PolarHBondContact O-ND2 3.08Å; N169-L171 HydrophobicContact CB-CG 4.39Å; N169-N190 VanDerWaalsContact CA-OD1 3.23Å; N169-N190 WeakPolarHBondContact CA-OD1 3.35Å; N169-N190 WeakPolarHBondContact CB-OD1 3.48Å; N169-N190 PolarHBondContact N-OD1 3.17Å; N169-N190 PolarHBondContact O-OD1 3.12Å
170	H	98	Very high	97.5	Very high	70 Å²	70	31.2 Å²	31.2	32%	0.324	17%	0.17	S	C	.	.	B	Isolated β-bridge	trans	-114.4	29.8	179.7	-60.3	-22.4	0	0	0	112	I145 S172	I145-H170 CarbonylContact O-C 3.31Å; I145-H170 VanDerWaalsContact O-CA 3.26Å; I145-H170 WeakPolarHBondContact O-CA 3.06Å; I145-H170 PolarHBondContact O-N 3.5Å; H170-S172 PolarHBondContact O-N 3.3Å
171	L	98.4	Very high	97.4	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.171	C	C	.	.			trans	-68.9	129.7	179.3	-63.6	170.7	0	0	0	110.4	I145 T147 L166 N169 P175 L187 N190 R191 I192	I145-L171 HydrophobicContact CG2-CD2 4.14Å; I145-L171 PolarHBondContact O-N 3.35Å; T147-L171 HydrophobicContact CG2-CB 4.47Å; T147-L171 HydrophobicContact CG2-CD2 4.19Å; L166-L171 HydrophobicContact CB-CD1 4.11Å; L166-L171 HydrophobicContact CD1-CD1 4.18Å; N169-L171 HydrophobicContact CB-CG 4.39Å; L171-P175 HydrophobicContact CD2-CG 4.37Å; L171-L187 HydrophobicContact CD1-CD2 3.51Å; L171-N190 HydrophobicContact CB-CB 4.29Å; L171-N190 WeakPolarHBondContact CB-OD1 3.23Å; L171-N190 PolarHBondContact N-OD1 3.14Å; L171-N190 VanDerWaalsContact N-OD1 3.17Å; L171-R191 CarbonylContact O-C 3.04Å; L171-R191 VanDerWaalsContact O-CA 3.3Å; L171-R191 WeakPolarHBondContact O-CA 3.09Å; L171-R191 PolarHBondContact O-N 3.1Å; L171-I192 HydrophobicContact CB-CD1 4.49Å; L171-I192 HydrophobicContact CB-CG1 4.14Å; L171-I192 PolarHBondContact O-N 3.43Å; L171-I192 VanDerWaalsContact O-N 3.12Å
172	S	97.8	Very high	97.4	Very high	61 Å²	61	32 Å²	32	43%	0.427	17%	0.171	S	C	.	.	S	Bend	trans	-98.6	-13.8	176.4	-56	0	0	0	0	113.5	H170 R191 I192 A193	H170-S172 PolarHBondContact O-N 3.3Å; S172-R191 WeakPolarHBondContact CA-O 3.42Å; S172-I192 WeakPolarHBondContact O-CA 3.33Å; S172-A193 PolarHBondContact O-N 3.03Å
173	S	97.8	Very high	97.4	Very high	42 Å²	42	32.8 Å²	32.8	29%	0.294	17%	0.174	S	C	.	.	B	Isolated β-bridge	trans	-152.3	161.9	177.8	67.1	0	0	0	0	109.3	T147 V194	T147-S173 VanDerWaalsContact CG2-O 3.29Å; T147-S173 WeakPolarHBondContact CG2-O 3.49Å; T147-S173 WeakPolarHBondContact CG2-OG 3.18Å; S173-V194 VanDerWaalsContact CA-O 3.31Å; S173-V194 WeakPolarHBondContact CA-O 3.29Å; S173-V194 WeakPolarHBondContact CB-O 3.49Å
174	V	97.7	Very high	97.4	Very high	5 Å²	5	31.6 Å²	31.6	3%	0.03	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-67	131.6	170.5	-178.5	0	0	0	0	109.1	L178 L187 I192 I195 A199 F200 L211	V174-L178 HydrophobicContact CG1-CD1 4.16Å; V174-L187 HydrophobicContact CG1-CD1 4.12Å; V174-L187 HydrophobicContact CG2-CD1 4.03Å; V174-I192 HydrophobicContact CG2-CD1 4.48Å; V174-I192 HydrophobicContact CG2-CG2 4.43Å; V174-I195 HydrophobicContact CG2-CD1 4.49Å; V174-I195 HydrophobicContact CG2-CG1 4.03Å; V174-I195 HydrophobicContact CG2-CG2 4.25Å; V174-A199 HydrophobicContact CB-CB 3.99Å; V174-A199 HydrophobicContact CG1-CB 4.02Å; V174-F200 HydrophobicContact CG1-CE1 3.99Å; V174-F200 HydrophobicContact CG1-CZ 4.06Å; V174-F200 HydrophobicContact CG2-CZ 4.14Å; V174-L211 HydrophobicContact CG2-CD2 4.46Å
175	P	95.5	Very high	97.4	Very high	12 Å²	12	31.6 Å²	31.6	8%	0.078	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-61.8	137.7	176.6	-23.1	33.6	0	0	0	112.4	V150 F155 L171	V150-P175 HydrophobicContact CG1-CB 4.49Å; F155-P175 HydrophobicContact CD2-CB 4.29Å; F155-P175 HydrophobicContact CE2-CB 4.28Å; F155-P175 HydrophobicContact CE2-CG 4.21Å; L171-P175 HydrophobicContact CD2-CG 4.37Å
176	I	92.5	Very high	97.4	Very high	69 Å²	69	34.9 Å²	34.9	35%	0.354	18%	0.18	S	C	.	.	S	Bend	trans	-82.8	141.6	175.4	-58.9	170.8	0	0	0	109.4	G153 E198	G153-I176 WeakPolarHBondContact CA-O 3.18Å; G153-I176 PolarHBondContact N-O 2.93Å; I176-E198 HydrophobicContact CD1-CG 4.04Å; I176-E198 HydrophobicContact CG1-CG 4.31Å; I176-E198 HydrophobicContact CG2-CG 4.28Å
177	G	94.4	Very high	97.4	Very high	12 Å²	12	34.9 Å²	34.9	12%	0.124	18%	0.18	C	C	.	.	S	Bend	trans	79.7	54.5	-179.2	0	0	0	0	0	112.1	R156	R156-G177 WeakPolarHBondContact CB-O 3.34Å; R156-G177 PolarHBondContact N-O 2.73Å; R156-G177 VanDerWaalsContact N-O 3.1Å
178	L	97.1	Very high	97.4	Very high	4 Å²	4	35.5 Å²	35.5	2%	0.021	18%	0.183	C	C	.	.			trans	-71.2	158.7	165.9	-66.7	170.1	0	0	0	110.5	L164 V174 L185 F200 V203	L164-L178 HydrophobicContact CD2-CD2 4.09Å; V174-L178 HydrophobicContact CG1-CD1 4.16Å; L178-L185 HydrophobicContact CD1-CD2 3.67Å; L178-L185 HydrophobicContact CD2-CD2 4.48Å; L178-F200 HydrophobicContact CD1-CD1 4.07Å; L178-F200 HydrophobicContact CD1-CE1 4.17Å; L178-V203 HydrophobicContact CB-CG2 3.86Å; L178-V203 HydrophobicContact CD1-CG2 4.43Å
179	P	96.4	Very high	97.4	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.019	18%	0.181	C	C	.	.			trans	-66.9	139.3	175.7	-10	21.3	0	0	0	112.5	F155 L161 D181 L182	F155-P179 HydrophobicContact CB-CG 4.46Å; F155-P179 WeakPolarHBondContact O-CG 3.13Å; L161-P179 HydrophobicContact CB-CB 4.38Å; L161-P179 HydrophobicContact CB-CG 3.93Å; L161-P179 HydrophobicContact CD2-CG 3.95Å; L161-P179 HydrophobicContact CG-CG 4.4Å; P179-D181 VanDerWaalsContact C-N 3.27Å; P179-D181 PolarHBondContact O-N 2.81Å; P179-L182 HydrophobicContact CB-CB 4.48Å; P179-L182 HydrophobicContact CG-CD1 4.34Å; P179-L182 VanDerWaalsContact O-CB 3.26Å; P179-L182 WeakPolarHBondContact O-CB 3.24Å; P179-L182 PolarHBondContact O-N 3.05Å
180	D	95.4	Very high	97.4	Very high	81 Å²	81	35.1 Å²	35.1	43%	0.433	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-30	-179.4	-61.2	-8.4	0	0	0	113	L182	D180-L182 VanDerWaalsContact C-N 3.32Å
181	D	96.5	Very high	97.4	Very high	61 Å²	61	38.6 Å²	38.6	33%	0.326	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	7	-177.5	-82.4	-7.7	0	0	0	114.2	P179 K183 R205	P179-D181 VanDerWaalsContact C-N 3.27Å; P179-D181 PolarHBondContact O-N 2.81Å; D181-K183 PolarHBondContact O-N 3.45Å; D181-R205 VanDerWaalsContact CG-NH1 3.3Å; D181-R205 VanDerWaalsContact OD1-CD 3.26Å; D181-R205 WeakPolarHBondContact OD1-CD 3.03Å; D181-R205 IonicContact OD1-CZ 3.31Å; D181-R205 IonicContact OD1-NE 3.31Å; D181-R205 PolarHBondContact OD1-NE 2.91Å; D181-R205 IonicContact OD1-NH1 3.04Å; D181-R205 PolarHBondContact OD1-NH1 3.25Å; D181-R205 IonicContact OD2-NH1 3.51Å; D181-R205 PolarHBondContact OD2-NH1 3.2Å
182	L	98.4	Very high	97.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.193	C	C	.	.			trans	-64.5	134.1	-178.1	-162.5	72.6	0	0	0	111.2	L161 L164 P179 D180 L185 V203 R205 L206	L161-L182 HydrophobicContact CG-CD1 4.38Å; L164-L182 HydrophobicContact CB-CD1 3.83Å; P179-L182 HydrophobicContact CB-CB 4.48Å; P179-L182 HydrophobicContact CG-CD1 4.34Å; P179-L182 VanDerWaalsContact O-CB 3.26Å; P179-L182 WeakPolarHBondContact O-CB 3.24Å; P179-L182 PolarHBondContact O-N 3.05Å; D180-L182 VanDerWaalsContact C-N 3.32Å; L182-L185 HydrophobicContact CD2-CB 3.9Å; L182-L185 HydrophobicContact CD2-CD1 4.26Å; L182-L185 HydrophobicContact CD2-CD2 4.28Å; L182-L185 HydrophobicContact CD2-CG 4.38Å; L182-V203 HydrophobicContact CB-CG1 3.92Å; L182-V203 HydrophobicContact CD2-CG1 4.49Å; L182-R205 CarbonylContact O-C 3.45Å; L182-L206 HydrophobicContact CB-CD1 4.37Å; L182-L206 HydrophobicContact CD2-CD1 4.03Å; L182-L206 HydrophobicContact CG-CD1 4.04Å; L182-L206 VanDerWaalsContact O-CA 3.25Å; L182-L206 WeakPolarHBondContact O-CA 3.29Å; L182-L206 PolarHBondContact O-N 3.01Å; L182-L206 VanDerWaalsContact O-N 3.13Å
183	K	98.6	Very high	97.4	Very high	89 Å²	89	37.5 Å²	37.5	39%	0.387	19%	0.188	S	C	.	.			trans	-112.6	-37.6	-178.4	-64.7	-169.8	166.9	-139.4	0	113.3	K162 D181 E207 R208	K162-K183 HydrophobicContact CB-CD 4.47Å; K162-K183 HydrophobicContact CB-CG 4.34Å; K162-K183 WeakPolarHBondContact O-CA 3.33Å; K162-K183 WeakPolarHBondContact O-CB 3.06Å; K162-K183 PolarHBondContact O-N 2.77Å; D181-K183 PolarHBondContact O-N 3.45Å; K183-E207 IonicContact NZ-OE1 3.17Å; K183-E207 PolarHBondContact NZ-OE1 3.43Å; K183-E207 WeakPolarHBondContact O-CA 3.43Å; K183-E207 PolarHBondContact O-N 2.87Å; K183-R208 PolarHBondContact O-N 3.5Å
184	E	98.8	Very high	97.4	Very high	31 Å²	31	39.1 Å²	39.1	15%	0.145	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	126.3	178.2	-175.3	163.7	172.6	0	0	110	K162 M163 L164 F165 R186 R208	K162-E184 PolarHBondContact O-N 3.27Å; M163-E184 WeakPolarHBondContact CA-O 3.21Å; M163-E184 HydrophobicContact CG-CB 4.2Å; L164-E184 PolarHBondContact N-O 3.27Å; F165-E184 HydrophobicContact CE1-CG 3.98Å; E184-R186 HydrophobicContact CG-CG 4.38Å; E184-R186 IonicContact OE1-CZ 3.57Å; E184-R186 IonicContact OE1-NE 3.67Å; E184-R186 PolarHBondContact OE1-NE 3.25Å; E184-R186 IonicContact OE1-NH2 3.79Å; E184-R186 PolarHBondContact OE1-NH2 2.81Å; E184-R208 WeakPolarHBondContact CA-O 3.45Å; E184-R208 HydrophobicContact CB-CB 4.42Å; E184-R208 HydrophobicContact CG-CB 4.05Å; E184-R208 HydrophobicContact CG-CG 4.17Å; E184-R208 IonicContact OE1-CZ 2.63Å; E184-R208 IonicContact OE1-NE 2.95Å; E184-R208 IonicContact OE1-NH1 3.38Å; E184-R208 PolarHBondContact OE1-NH1 2.96Å; E184-R208 IonicContact OE2-NH1 3.32Å
185	L	98.8	Very high	97.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	121.3	174.7	179.8	57.6	0	0	0	109.2	L164 L178 L182 L187 F200 L206 R208 L209 L210	L164-L185 HydrophobicContact CB-CD1 4.1Å; L164-L185 HydrophobicContact CD2-CD1 3.98Å; L164-L185 HydrophobicContact CG-CD1 4.02Å; L164-L185 WeakPolarHBondContact O-CA 3.48Å; L178-L185 HydrophobicContact CD1-CD2 3.67Å; L178-L185 HydrophobicContact CD2-CD2 4.48Å; L182-L185 HydrophobicContact CD2-CB 3.9Å; L182-L185 HydrophobicContact CD2-CD1 4.26Å; L182-L185 HydrophobicContact CD2-CD2 4.28Å; L182-L185 HydrophobicContact CD2-CG 4.38Å; L185-L187 HydrophobicContact CD1-CD1 4.2Å; L185-L187 HydrophobicContact CD1-CD2 4.39Å; L185-L187 HydrophobicContact CD1-CG 3.98Å; L185-L187 HydrophobicContact CD2-CD1 3.74Å; L185-L187 HydrophobicContact CD2-CG 4.39Å; L185-L187 HydrophobicContact CG-CD1 3.85Å; L185-L187 HydrophobicContact CG-CG 3.96Å; L185-F200 HydrophobicContact CD2-CE1 3.93Å; L185-L206 HydrophobicContact CB-CD1 3.93Å; L185-R208 PolarHBondContact N-O 2.99Å; L185-L209 HydrophobicContact CB-CD1 4.09Å; L185-L209 HydrophobicContact CD2-CD1 3.96Å; L185-L209 HydrophobicContact CG-CD1 4.08Å; L185-L209 WeakPolarHBondContact O-CA 3.49Å; L185-L210 PolarHBondContact O-N 3.33Å
186	R	98.9	Very high	97.2	Very high	77 Å²	77	39.7 Å²	39.7	29%	0.291	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	122	173.3	-62.2	-167.9	-171.4	165	8.9	110.4	L164 F165 L166 E184 L210	L164-R186 PolarHBondContact O-N 3.23Å; F165-R186 HydrophobicContact CD1-CB 3.95Å; F165-R186 HydrophobicContact CD1-CG 3.62Å; F165-R186 HydrophobicContact CE1-CG 4.03Å; L166-R186 WeakPolarHBondContact CA-O 3.4Å; L166-R186 WeakPolarHBondContact CB-O 3.5Å; L166-R186 PolarHBondContact N-O 2.53Å; E184-R186 HydrophobicContact CG-CG 4.38Å; E184-R186 IonicContact OE1-CZ 3.57Å; E184-R186 IonicContact OE1-NE 3.67Å; E184-R186 PolarHBondContact OE1-NE 3.25Å; E184-R186 IonicContact OE1-NH2 3.79Å; E184-R186 PolarHBondContact OE1-NH2 2.81Å; R186-L210 HydrophobicContact CG-CB 4.34Å; R186-L210 HydrophobicContact CG-CD1 3.83Å; R186-L210 HydrophobicContact CG-CG 4.2Å
187	L	98.7	Very high	97.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.217	C	C	.	.			trans	-131.3	21.1	-178.9	-70.9	168	0	0	0	110.3	L166 L171 V174 L185 N190 I192 L210 L211 N214	L166-L187 HydrophobicContact CB-CD2 3.87Å; L166-L187 HydrophobicContact CD1-CD2 3.89Å; L171-L187 HydrophobicContact CD1-CD2 3.51Å; V174-L187 HydrophobicContact CG1-CD1 4.12Å; V174-L187 HydrophobicContact CG2-CD1 4.03Å; L185-L187 HydrophobicContact CD1-CD1 4.2Å; L185-L187 HydrophobicContact CD1-CD2 4.39Å; L185-L187 HydrophobicContact CD1-CG 3.98Å; L185-L187 HydrophobicContact CD2-CD1 3.74Å; L185-L187 HydrophobicContact CD2-CG 4.39Å; L185-L187 HydrophobicContact CG-CD1 3.85Å; L185-L187 HydrophobicContact CG-CG 3.96Å; L187-N190 PolarHBondContact O-ND2 2.97Å; L187-N190 VanDerWaalsContact O-ND2 3.17Å; L187-I192 HydrophobicContact CB-CD1 3.83Å; L187-I192 HydrophobicContact CD1-CD1 4.25Å; L187-I192 HydrophobicContact CD2-CD1 4.3Å; L187-I192 HydrophobicContact CG-CD1 4.38Å; L187-L210 CarbonylContact C-O 3.13Å; L187-L210 PolarHBondContact N-O 3.4Å; L187-L211 HydrophobicContact CB-CD2 3.8Å; L187-L211 HydrophobicContact CD1-CD2 3.94Å; L187-N214 PolarHBondContact O-ND2 3.23Å
188	D	98.1	Very high	96.9	Very high	28 Å²	28	47.2 Å²	47.2	15%	0.15	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	155.5	-179.4	54.5	-62.6	0	0	0	112.4	T167 K168 N190 D212	T167-D188 CarbonylContact C-O 3.53Å; T167-D188 VanDerWaalsContact CA-O 3.29Å; T167-D188 WeakPolarHBondContact CA-O 3.35Å; T167-D188 VanDerWaalsContact CG2-CG 3.45Å; T167-D188 WeakPolarHBondContact CG2-OD2 3.37Å; T167-D188 PolarHBondContact OG1-OD1 2.89Å; K168-D188 PolarHBondContact N-O 2.95Å; D188-N190 VanDerWaalsContact C-N 3.29Å; D188-N190 PolarHBondContact O-N 3.06Å; D188-N190 PolarHBondContact O-ND2 3.23Å; D188-N190 VanDerWaalsContact O-ND2 3.07Å; D188-D212 CarbonylContact C-O 3.43Å; D188-D212 WeakPolarHBondContact CA-O 3.21Å; D188-D212 HydrophobicContact CB-CB 4.04Å; D188-D212 WeakPolarHBondContact CB-O 3.22Å
189	E	98.4	Very high	96.7	Very high	82 Å²	82	47.1 Å²	47.1	38%	0.383	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	37.7	-179.9	-59.2	-66.5	164.4	0	0	113.7	K168 D212 G213 R239	K168-E189 VanDerWaalsContact CA-O 3.28Å; K168-E189 WeakPolarHBondContact CA-O 3.24Å; K168-E189 HydrophobicContact CB-CB 4.32Å; K168-E189 HydrophobicContact CG-CB 3.45Å; K168-E189 VanDerWaalsContact CG-CB 3.45Å; K168-E189 HydrophobicContact CG-CG 4.08Å; E189-D212 PolarHBondContact N-O 3.16Å; E189-G213 VanDerWaalsContact CA-O 3.3Å; E189-G213 WeakPolarHBondContact CA-O 3.23Å; E189-R239 IonicContact OE1-CZ 3.19Å; E189-R239 IonicContact OE1-NE 3.58Å; E189-R239 PolarHBondContact OE1-NE 2.76Å; E189-R239 IonicContact OE1-NH2 2.74Å; E189-R239 PolarHBondContact OE1-NH2 3.09Å
190	N	98.7	Very high	96.7	Very high	10 Å²	10	47.1 Å²	47.1	5%	0.053	23%	0.232	C	C	.	.	S	Bend	trans	-104.7	-164.9	174.3	-84.4	-87.9	0	0	0	110.7	L166 N169 L171 L187 D188 I192 G213 N214	L166-N190 PolarHBondContact O-ND2 3.44Å; N169-N190 VanDerWaalsContact CA-OD1 3.23Å; N169-N190 WeakPolarHBondContact CA-OD1 3.35Å; N169-N190 WeakPolarHBondContact CB-OD1 3.48Å; N169-N190 PolarHBondContact N-OD1 3.17Å; N169-N190 PolarHBondContact O-OD1 3.12Å; L171-N190 HydrophobicContact CB-CB 4.29Å; L171-N190 WeakPolarHBondContact CB-OD1 3.23Å; L171-N190 PolarHBondContact N-OD1 3.14Å; L171-N190 VanDerWaalsContact N-OD1 3.17Å; L187-N190 PolarHBondContact O-ND2 2.97Å; L187-N190 VanDerWaalsContact O-ND2 3.17Å; D188-N190 VanDerWaalsContact C-N 3.29Å; D188-N190 PolarHBondContact O-N 3.06Å; D188-N190 PolarHBondContact O-ND2 3.23Å; D188-N190 VanDerWaalsContact O-ND2 3.07Å; N190-I192 HydrophobicContact CB-CD1 4.17Å; N190-I192 HydrophobicContact CB-CG1 3.94Å; N190-G213 PolarHBondContact N-O 3.1Å; N190-N214 WeakPolarHBondContact CA-OD1 3.28Å; N190-N214 WeakPolarHBondContact CB-OD1 3.32Å; N190-N214 PolarHBondContact N-OD1 2.91Å; N190-N214 PolarHBondContact O-OD1 3.4Å
191	R	98.2	Very high	96.4	Very high	144 Å²	144	49 Å²	49	54%	0.543	24%	0.238	S	C	.	.			trans	-116.3	31	176.6	-58.4	178.9	-173.2	167.8	4.3	110.9	L171 S172 A193 N214 L215	L171-R191 CarbonylContact O-C 3.04Å; L171-R191 VanDerWaalsContact O-CA 3.3Å; L171-R191 WeakPolarHBondContact O-CA 3.09Å; L171-R191 PolarHBondContact O-N 3.1Å; S172-R191 WeakPolarHBondContact CA-O 3.42Å; R191-A193 PolarHBondContact O-N 2.94Å; R191-N214 PolarHBondContact N-OD1 3.31Å; R191-L215 HydrophobicContact CB-CD1 4.06Å
192	I	98.6	Very high	96.2	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.247	C	C	.	.			trans	-68.6	116.2	-173	-61.5	172.9	0	0	0	108.7	L171 S172 V174 L187 N190 I195 L211 N214 L215 L216	L171-I192 HydrophobicContact CB-CD1 4.49Å; L171-I192 HydrophobicContact CB-CG1 4.14Å; L171-I192 PolarHBondContact O-N 3.43Å; L171-I192 VanDerWaalsContact O-N 3.12Å; S172-I192 WeakPolarHBondContact O-CA 3.33Å; V174-I192 HydrophobicContact CG2-CD1 4.48Å; V174-I192 HydrophobicContact CG2-CG2 4.43Å; L187-I192 HydrophobicContact CB-CD1 3.83Å; L187-I192 HydrophobicContact CD1-CD1 4.25Å; L187-I192 HydrophobicContact CD2-CD1 4.3Å; L187-I192 HydrophobicContact CG-CD1 4.38Å; N190-I192 HydrophobicContact CB-CD1 4.17Å; N190-I192 HydrophobicContact CB-CG1 3.94Å; I192-I195 HydrophobicContact CG2-CG1 4.43Å; I192-L211 HydrophobicContact CD1-CD2 4.03Å; I192-N214 HydrophobicContact CB-CB 4.2Å; I192-N214 VanDerWaalsContact CB-OD1 3.24Å; I192-N214 WeakPolarHBondContact CB-OD1 3.44Å; I192-N214 WeakPolarHBondContact CG1-OD1 3.33Å; I192-N214 PolarHBondContact N-OD1 3.46Å; I192-L215 CarbonylContact O-C 3.25Å; I192-L215 WeakPolarHBondContact O-CA 3.38Å; I192-L215 PolarHBondContact O-N 2.86Å; I192-L216 HydrophobicContact CG2-CD2 3.8Å; I192-L216 HydrophobicContact CG2-CG 4.48Å; I192-L216 PolarHBondContact O-N 3.26Å
193	A	97.8	Very high	96	Very high	38 Å²	38	50.7 Å²	50.7	31%	0.314	25%	0.247	S	C	.	.			trans	-106.2	-23.2	176.4	0	0	0	0	0	112.3	S172 R191 L215 G220	S172-A193 PolarHBondContact O-N 3.03Å; R191-A193 PolarHBondContact O-N 2.94Å; A193-L215 HydrophobicContact CB-CB 4.27Å; A193-G220 VanDerWaalsContact O-CA 3.3Å; A193-G220 WeakPolarHBondContact O-CA 3.33Å
194	V	96.9	Very high	95.9	Very high	76 Å²	76	49.3 Å²	49.3	46%	0.461	25%	0.246	S	C	.	.	B	Isolated β-bridge	trans	-133.2	135.2	-174.9	-176.9	0	0	0	0	111.7	S173 G220	S173-V194 VanDerWaalsContact CA-O 3.31Å; S173-V194 WeakPolarHBondContact CA-O 3.29Å; S173-V194 WeakPolarHBondContact CB-O 3.49Å; V194-G220 CarbonylContact C-O 3.19Å; V194-G220 VanDerWaalsContact CA-O 3.32Å; V194-G220 WeakPolarHBondContact CA-O 3.42Å
195	I	97.4	Very high	95.8	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-116.8	108.8	168.3	-52.6	-177.6	0	0	0	107.6	V174 I192 A199 F200 L211 L216 G220 I221 S222 T225 F226	V174-I195 HydrophobicContact CG2-CD1 4.49Å; V174-I195 HydrophobicContact CG2-CG1 4.03Å; V174-I195 HydrophobicContact CG2-CG2 4.25Å; I192-I195 HydrophobicContact CG2-CG1 4.43Å; I195-A199 HydrophobicContact CG2-CB 4.03Å; I195-F200 HydrophobicContact CG2-CD2 4.22Å; I195-F200 HydrophobicContact CG2-CE2 3.63Å; I195-F200 HydrophobicContact CG2-CZ 4.48Å; I195-L211 HydrophobicContact CD1-CD1 3.86Å; I195-L216 HydrophobicContact CD1-CD1 4.04Å; I195-L216 HydrophobicContact CD1-CD2 3.85Å; I195-L216 HydrophobicContact CG1-CD2 3.67Å; I195-G220 PolarHBondContact N-O 3.48Å; I195-I221 HydrophobicContact CD1-CG1 4.27Å; I195-S222 WeakPolarHBondContact O-CB 3.45Å; I195-S222 PolarHBondContact O-N 2.65Å; I195-S222 VanDerWaalsContact O-N 3.15Å; I195-S222 PolarHBondContact O-OG 2.83Å; I195-T225 HydrophobicContact CG2-CG2 4Å; I195-T225 WeakPolarHBondContact CG2-OG1 3.25Å; I195-F226 HydrophobicContact CD1-CE1 4.32Å; I195-F226 HydrophobicContact CD1-CZ 3.89Å
196	A	92.6	Very high	95.8	Very high	29 Å²	29	54.3 Å²	54.3	24%	0.24	26%	0.264	C	S	.	.			trans	-68.7	156.5	177.5	0	0	0	0	0	111.6	E198 A199 T225	A196-E198 VanDerWaalsContact C-N 3.31Å; A196-E198 HydrophobicContact CB-CG 4.46Å; A196-E198 PolarHBondContact O-N 3.12Å; A196-A199 HydrophobicContact CB-CB 4.46Å; A196-A199 VanDerWaalsContact O-CB 3.23Å; A196-A199 WeakPolarHBondContact O-CB 3.4Å; A196-A199 PolarHBondContact O-N 3.17Å; A196-A199 VanDerWaalsContact O-N 3.15Å; A196-T225 PolarHBondContact O-OG1 2.95Å; A196-T225 VanDerWaalsContact O-OG1 3.14Å
197	E	89.4	Confident	95.8	Very high	144 Å²	144	53.9 Å²	53.9	67%	0.673	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-58.2	-44	176.6	-172.6	177.1	170.2	0	0	111.2	A199 S222	E197-A199 VanDerWaalsContact C-N 3.28Å; E197-A199 PolarHBondContact O-N 3.3Å; E197-S222 PolarHBondContact N-OG 3.47Å
198	E	90.7	Very high	95.8	Very high	95 Å²	95	57.7 Å²	57.7	44%	0.444	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-76.8	-2.1	178.2	61.7	-104.8	-139.6	0	0	115.6	I176 A196 F200 Q201	I176-E198 HydrophobicContact CD1-CG 4.04Å; I176-E198 HydrophobicContact CG1-CG 4.31Å; I176-E198 HydrophobicContact CG2-CG 4.28Å; A196-E198 VanDerWaalsContact C-N 3.31Å; A196-E198 HydrophobicContact CB-CG 4.46Å; A196-E198 PolarHBondContact O-N 3.12Å; E198-F200 VanDerWaalsContact C-N 3.28Å; E198-F200 PolarHBondContact O-N 3.45Å; E198-Q201 WeakPolarHBondContact O-CB 3.32Å; E198-Q201 PolarHBondContact O-N 2.95Å
199	A	93.4	Very high	95.8	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.008	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-60.3	-36.6	-172.6	0	0	0	0	0	113.4	V174 I195 A196 E197	V174-A199 HydrophobicContact CB-CB 3.99Å; V174-A199 HydrophobicContact CG1-CB 4.02Å; I195-A199 HydrophobicContact CG2-CB 4.03Å; A196-A199 HydrophobicContact CB-CB 4.46Å; A196-A199 VanDerWaalsContact O-CB 3.23Å; A196-A199 WeakPolarHBondContact O-CB 3.4Å; A196-A199 PolarHBondContact O-N 3.17Å; A196-A199 VanDerWaalsContact O-N 3.15Å; E197-A199 VanDerWaalsContact C-N 3.28Å; E197-A199 PolarHBondContact O-N 3.3Å
200	F	95.6	Very high	95.8	Very high	3 Å²	3	53.1 Å²	53.1	1%	0.013	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-110.3	16.9	-179.6	-61.1	-61.7	0	0	0	113.3	V174 L178 L185 I195 E198 N202 V203 L209 F226 L229	V174-F200 HydrophobicContact CG1-CE1 3.99Å; V174-F200 HydrophobicContact CG1-CZ 4.06Å; V174-F200 HydrophobicContact CG2-CZ 4.14Å; L178-F200 HydrophobicContact CD1-CD1 4.07Å; L178-F200 HydrophobicContact CD1-CE1 4.17Å; L185-F200 HydrophobicContact CD2-CE1 3.93Å; I195-F200 HydrophobicContact CG2-CD2 4.22Å; I195-F200 HydrophobicContact CG2-CE2 3.63Å; I195-F200 HydrophobicContact CG2-CZ 4.48Å; E198-F200 VanDerWaalsContact C-N 3.28Å; E198-F200 PolarHBondContact O-N 3.45Å; F200-N202 PolarHBondContact O-N 3.18Å; F200-V203 PolarHBondContact O-N 2.99Å; F200-L209 HydrophobicContact CE1-CD1 4.19Å; F200-L209 HydrophobicContact CE1-CD2 4.08Å; F200-L209 HydrophobicContact CE2-CD2 4.15Å; F200-L209 HydrophobicContact CZ-CD1 4.16Å; F200-L209 HydrophobicContact CZ-CD2 3.68Å; F200-F226 HydrophobicContact CD2-CD1 4.25Å; F200-F226 HydrophobicContact CD2-CE1 4.35Å; F200-F226 HydrophobicContact CE2-CD1 4.05Å; F200-F226 AromaticContact CE2-CE1 3.71Å; F200-F226 HydrophobicContact CE2-CE1 3.71Å; F200-F226 HydrophobicContact CZ-CE1 4.46Å; F200-L229 HydrophobicContact CB-CD2 4Å; F200-L229 HydrophobicContact CB-CG 4.48Å; F200-L229 HydrophobicContact CG-CD1 4.4Å; F200-L229 HydrophobicContact CG-CD2 4.4Å
201	Q	90.8	Very high	95.8	Very high	120 Å²	120	52.6 Å²	52.6	56%	0.561	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	131.4	179.1	-168.5	174.5	27.5	0	0	110.4	E198 V203	E198-Q201 WeakPolarHBondContact O-CB 3.32Å; E198-Q201 PolarHBondContact O-N 2.95Å; Q201-V203 PolarHBondContact O-N 3.45Å
202	N	91.1	Very high	95.8	Very high	96 Å²	96	46.6 Å²	46.6	51%	0.513	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	68	-5.4	-178.2	-52.2	-23.4	0	0	0	116.9	F200 T204	F200-N202 PolarHBondContact O-N 3.18Å; N202-T204 PolarHBondContact O-N 3.5Å
203	V	95.4	Very high	95.8	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.006	24%	0.24	C	C	.	.			trans	-80.1	51.4	-179.4	-159.1	0	0	0	0	111.8	L178 L182 F200 Q201 R205 L206 L229	L178-V203 HydrophobicContact CB-CG2 3.86Å; L178-V203 HydrophobicContact CD1-CG2 4.43Å; L182-V203 HydrophobicContact CB-CG1 3.92Å; L182-V203 HydrophobicContact CD2-CG1 4.49Å; F200-V203 PolarHBondContact O-N 2.99Å; Q201-V203 PolarHBondContact O-N 3.45Å; V203-R205 PolarHBondContact O-N 3.32Å; V203-L206 HydrophobicContact CG1-CB 4.07Å; V203-L206 HydrophobicContact CG1-CD1 4.34Å; V203-L206 PolarHBondContact O-N 3.1Å; V203-L229 HydrophobicContact CB-CD2 4.47Å; V203-L229 VanDerWaalsContact O-CD2 3.27Å; V203-L229 WeakPolarHBondContact O-CD2 3.31Å
204	T	95.1	Very high	95.9	Very high	61 Å²	61	45.9 Å²	45.9	37%	0.374	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-15.9	-171.8	57.3	0	0	0	0	113.9	N202 T231	N202-T204 PolarHBondContact O-N 3.5Å; T204-T231 WeakPolarHBondContact O-CG2 3.38Å; T204-T231 PolarHBondContact O-OG1 3.05Å
205	R	97.3	Very high	95.9	Very high	135 Å²	135	46.9 Å²	46.9	51%	0.509	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	3.4	-178.4	-67.5	-179.8	176.3	-172.9	4.1	114.1	D181 L182 V203 E207 T231	D181-R205 VanDerWaalsContact CG-NH1 3.3Å; D181-R205 VanDerWaalsContact OD1-CD 3.26Å; D181-R205 WeakPolarHBondContact OD1-CD 3.03Å; D181-R205 IonicContact OD1-CZ 3.31Å; D181-R205 IonicContact OD1-NE 3.31Å; D181-R205 PolarHBondContact OD1-NE 2.91Å; D181-R205 IonicContact OD1-NH1 3.04Å; D181-R205 PolarHBondContact OD1-NH1 3.25Å; D181-R205 IonicContact OD2-NH1 3.51Å; D181-R205 PolarHBondContact OD2-NH1 3.2Å; L182-R205 CarbonylContact O-C 3.45Å; V203-R205 PolarHBondContact O-N 3.32Å; R205-E207 PolarHBondContact O-N 3.19Å; R205-T231 WeakPolarHBondContact CA-OG1 3.22Å; R205-T231 PolarHBondContact O-OG1 3.35Å
206	L	98.3	Very high	96	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.23	C	C	.	.			trans	-68.1	119.1	-178.8	-161.7	70	0	0	0	111.1	L182 L185 V203 L209 L229 T231 L232	L182-L206 HydrophobicContact CB-CD1 4.37Å; L182-L206 HydrophobicContact CD2-CD1 4.03Å; L182-L206 HydrophobicContact CG-CD1 4.04Å; L182-L206 VanDerWaalsContact O-CA 3.25Å; L182-L206 WeakPolarHBondContact O-CA 3.29Å; L182-L206 PolarHBondContact O-N 3.01Å; L182-L206 VanDerWaalsContact O-N 3.13Å; L185-L206 HydrophobicContact CB-CD1 3.93Å; V203-L206 HydrophobicContact CG1-CB 4.07Å; V203-L206 HydrophobicContact CG1-CD1 4.34Å; V203-L206 PolarHBondContact O-N 3.1Å; L206-L209 HydrophobicContact CD2-CB 3.98Å; L206-L209 HydrophobicContact CD2-CD1 4.36Å; L206-L209 HydrophobicContact CD2-CD2 4.36Å; L206-L209 HydrophobicContact CD2-CG 4.47Å; L206-L229 HydrophobicContact CB-CD2 4.11Å; L206-L229 HydrophobicContact CD2-CD1 4.32Å; L206-L229 HydrophobicContact CD2-CD2 4.09Å; L206-T231 PolarHBondContact N-OG1 3.48Å; L206-T231 CarbonylContact O-C 3.49Å; L206-T231 VanDerWaalsContact O-C 3.3Å; L206-T231 PolarHBondContact O-OG1 3.17Å; L206-L232 HydrophobicContact CD2-CD1 4.25Å; L206-L232 HydrophobicContact CG-CD1 4.23Å; L206-L232 WeakPolarHBondContact O-CA 3.32Å; L206-L232 PolarHBondContact O-N 2.99Å; L206-L232 VanDerWaalsContact O-N 3.11Å
207	E	98.4	Very high	96.2	Very high	68 Å²	68	48.3 Å²	48.3	32%	0.318	24%	0.235	S	C	.	.			trans	-97.3	-29.2	179.9	-58.7	-175.6	-147.7	0	0	111.7	K183 R205 R233 D234	K183-E207 IonicContact NZ-OE1 3.17Å; K183-E207 PolarHBondContact NZ-OE1 3.43Å; K183-E207 WeakPolarHBondContact O-CA 3.43Å; K183-E207 PolarHBondContact O-N 2.87Å; R205-E207 PolarHBondContact O-N 3.19Å; E207-R233 WeakPolarHBondContact O-CA 3.47Å; E207-R233 WeakPolarHBondContact O-CB 3.31Å; E207-R233 PolarHBondContact O-N 2.95Å; E207-R233 IonicContact OE2-NE 3.39Å; E207-D234 PolarHBondContact O-N 2.89Å; E207-D234 VanDerWaalsContact O-N 3.16Å
208	R	98.8	Very high	96.5	Very high	80 Å²	80	42.5 Å²	42.5	30%	0.302	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	127.7	-176.5	-178	166.1	-170.6	-147.2	2.8	112.5	K183 E184 L185 L210 D234	K183-R208 PolarHBondContact O-N 3.5Å; E184-R208 WeakPolarHBondContact CA-O 3.45Å; E184-R208 HydrophobicContact CB-CB 4.42Å; E184-R208 HydrophobicContact CG-CB 4.05Å; E184-R208 HydrophobicContact CG-CG 4.17Å; E184-R208 IonicContact OE1-CZ 2.63Å; E184-R208 IonicContact OE1-NE 2.95Å; E184-R208 IonicContact OE1-NH1 3.38Å; E184-R208 PolarHBondContact OE1-NH1 2.96Å; E184-R208 IonicContact OE2-NH1 3.32Å; L185-R208 PolarHBondContact N-O 2.99Å; R208-L210 HydrophobicContact CG-CD2 4.19Å; R208-L210 HydrophobicContact CG-CG 4.33Å; R208-D234 WeakPolarHBondContact CA-O 3.45Å; R208-D234 HydrophobicContact CB-CB 4.39Å; R208-D234 HydrophobicContact CG-CB 4.07Å; R208-D234 IonicContact NE-OD2 2.66Å
209	L	98.8	Very high	96.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	116	178.4	179	57	0	0	0	110.3	L185 F200 L206 L211 F226 L229 L232 D234 L235 S236	L185-L209 HydrophobicContact CB-CD1 4.09Å; L185-L209 HydrophobicContact CD2-CD1 3.96Å; L185-L209 HydrophobicContact CG-CD1 4.08Å; L185-L209 WeakPolarHBondContact O-CA 3.49Å; F200-L209 HydrophobicContact CE1-CD1 4.19Å; F200-L209 HydrophobicContact CE1-CD2 4.08Å; F200-L209 HydrophobicContact CE2-CD2 4.15Å; F200-L209 HydrophobicContact CZ-CD1 4.16Å; F200-L209 HydrophobicContact CZ-CD2 3.68Å; L206-L209 HydrophobicContact CD2-CB 3.98Å; L206-L209 HydrophobicContact CD2-CD1 4.36Å; L206-L209 HydrophobicContact CD2-CD2 4.36Å; L206-L209 HydrophobicContact CD2-CG 4.47Å; L209-L211 HydrophobicContact CD1-CD1 4.17Å; L209-L211 HydrophobicContact CD1-CG 4.14Å; L209-L211 HydrophobicContact CD2-CD1 3.92Å; L209-L211 HydrophobicContact CG-CD1 3.94Å; L209-L211 HydrophobicContact CG-CG 4.24Å; L209-F226 HydrophobicContact CD2-CD1 4.15Å; L209-F226 HydrophobicContact CD2-CE1 3.88Å; L209-L229 HydrophobicContact CD2-CD1 4.15Å; L209-L232 HydrophobicContact CB-CD1 3.91Å; L209-D234 PolarHBondContact N-O 3.24Å; L209-L235 HydrophobicContact CB-CD1 4.09Å; L209-L235 HydrophobicContact CD2-CD1 3.94Å; L209-L235 HydrophobicContact CG-CD1 4.03Å; L209-S236 PolarHBondContact O-N 3.49Å; L209-S236 VanDerWaalsContact O-N 3.08Å
210	L	98.8	Very high	96.8	Very high	14 Å²	14	47.1 Å²	47.1	7%	0.073	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	119.9	176.8	-51.7	-175.5	0	0	0	109.9	L185 R186 L187 R208	L185-L210 PolarHBondContact O-N 3.33Å; R186-L210 HydrophobicContact CG-CB 4.34Å; R186-L210 HydrophobicContact CG-CD1 3.83Å; R186-L210 HydrophobicContact CG-CG 4.2Å; L187-L210 CarbonylContact C-O 3.13Å; L187-L210 PolarHBondContact N-O 3.4Å; R208-L210 HydrophobicContact CG-CD2 4.19Å; R208-L210 HydrophobicContact CG-CG 4.33Å
211	L	98.6	Very high	96.8	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.234	C	C	.	.			trans	-126.2	25.1	-179.9	-76.2	161.7	0	0	0	110.8	V174 L187 I192 I195 L209 N214 L216 F226 S236 L237 N240	V174-L211 HydrophobicContact CG2-CD2 4.46Å; L187-L211 HydrophobicContact CB-CD2 3.8Å; L187-L211 HydrophobicContact CD1-CD2 3.94Å; I192-L211 HydrophobicContact CD1-CD2 4.03Å; I195-L211 HydrophobicContact CD1-CD1 3.86Å; L209-L211 HydrophobicContact CD1-CD1 4.17Å; L209-L211 HydrophobicContact CD1-CG 4.14Å; L209-L211 HydrophobicContact CD2-CD1 3.92Å; L209-L211 HydrophobicContact CG-CD1 3.94Å; L209-L211 HydrophobicContact CG-CG 4.24Å; L211-N214 PolarHBondContact O-ND2 3.17Å; L211-L216 HydrophobicContact CB-CD1 4.2Å; L211-F226 HydrophobicContact CD1-CE1 4.3Å; L211-F226 HydrophobicContact CD1-CZ 4.45Å; L211-S236 PolarHBondContact N-O 3.27Å; L211-L237 HydrophobicContact CB-CD2 3.79Å; L211-L237 HydrophobicContact CD1-CD2 3.9Å; L211-N240 PolarHBondContact O-ND2 2.76Å
212	D	98.6	Very high	97	Very high	18 Å²	18	43.2 Å²	43.2	10%	0.096	22%	0.218	C	C	.	.			trans	-66.6	147	-175.4	-55.4	-51.2	0	0	0	111.9	D188 E189 N214 S236 A238	D188-D212 CarbonylContact C-O 3.43Å; D188-D212 WeakPolarHBondContact CA-O 3.21Å; D188-D212 HydrophobicContact CB-CB 4.04Å; D188-D212 WeakPolarHBondContact CB-O 3.22Å; E189-D212 PolarHBondContact N-O 3.16Å; D212-N214 PolarHBondContact O-ND2 3.07Å; D212-S236 VanDerWaalsContact OD1-C 3.29Å; D212-S236 WeakPolarHBondContact OD1-CB 3.47Å; D212-S236 PolarHBondContact OD1-OG 3.29Å; D212-S236 WeakPolarHBondContact OD2-CB 3.43Å; D212-S236 PolarHBondContact OD2-OG 2.93Å; D212-S236 VanDerWaalsContact OD2-OG 3.09Å; D212-A238 CarbonylContact C-O 3.43Å; D212-A238 WeakPolarHBondContact CA-O 3.37Å; D212-A238 HydrophobicContact CB-CB 4.17Å; D212-A238 WeakPolarHBondContact OD1-CA 3.42Å; D212-A238 WeakPolarHBondContact OD1-CB 3.32Å; D212-A238 PolarHBondContact OD1-N 3.02Å
213	G	98.4	Very high	96.9	Very high	13 Å²	13	43.4 Å²	43.4	13%	0.134	22%	0.224	C	C	.	.	S	Bend	trans	66.3	47.9	173.7	0	0	0	0	0	112.7	E189 N190 A238 R239	E189-G213 VanDerWaalsContact CA-O 3.3Å; E189-G213 WeakPolarHBondContact CA-O 3.23Å; N190-G213 PolarHBondContact N-O 3.1Å; G213-A238 PolarHBondContact N-O 3.29Å; G213-R239 WeakPolarHBondContact CA-O 3.38Å; G213-R239 PolarHBondContact N-O 2.79Å
214	N	98.8	Very high	96.5	Very high	9 Å²	9	44 Å²	44	5%	0.048	23%	0.231	C	C	.	.	S	Bend	trans	-122.7	-176	178.2	-84.6	-73.2	0	0	0	110.6	L187 N190 R191 I192 L211 D212 L216 R239 N240	L187-N214 PolarHBondContact O-ND2 3.23Å; N190-N214 WeakPolarHBondContact CA-OD1 3.28Å; N190-N214 WeakPolarHBondContact CB-OD1 3.32Å; N190-N214 PolarHBondContact N-OD1 2.91Å; N190-N214 PolarHBondContact O-OD1 3.4Å; R191-N214 PolarHBondContact N-OD1 3.31Å; I192-N214 HydrophobicContact CB-CB 4.2Å; I192-N214 VanDerWaalsContact CB-OD1 3.24Å; I192-N214 WeakPolarHBondContact CB-OD1 3.44Å; I192-N214 WeakPolarHBondContact CG1-OD1 3.33Å; I192-N214 PolarHBondContact N-OD1 3.46Å; L211-N214 PolarHBondContact O-ND2 3.17Å; D212-N214 PolarHBondContact O-ND2 3.07Å; N214-L216 HydrophobicContact CB-CG 4.26Å; N214-R239 PolarHBondContact N-O 2.88Å; N214-N240 WeakPolarHBondContact CA-OD1 3.2Å; N214-N240 WeakPolarHBondContact CB-OD1 3.44Å; N214-N240 PolarHBondContact N-OD1 2.85Å; N214-N240 PolarHBondContact O-OD1 3.28Å; N214-N240 VanDerWaalsContact O-OD1 3.12Å
215	L	98.4	Very high	96.4	Very high	98 Å²	98	41.5 Å²	41.5	51%	0.513	22%	0.215	S	C	.	.			trans	-104.3	27.2	-178.9	-57.6	176.7	0	0	0	111.6	R191 I192 A193 T217	R191-L215 HydrophobicContact CB-CD1 4.06Å; I192-L215 CarbonylContact O-C 3.25Å; I192-L215 WeakPolarHBondContact O-CA 3.38Å; I192-L215 PolarHBondContact O-N 2.86Å; A193-L215 HydrophobicContact CB-CB 4.27Å; L215-T217 PolarHBondContact O-N 3.49Å
216	L	98.4	Very high	96.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.191	C	C	.	.			trans	-69	129.5	-176	-64.9	168.7	0	0	0	110.6	I192 I195 L211 N214 I221 L237 N240 S241 L242	I192-L216 HydrophobicContact CG2-CD2 3.8Å; I192-L216 HydrophobicContact CG2-CG 4.48Å; I192-L216 PolarHBondContact O-N 3.26Å; I195-L216 HydrophobicContact CD1-CD1 4.04Å; I195-L216 HydrophobicContact CD1-CD2 3.85Å; I195-L216 HydrophobicContact CG1-CD2 3.67Å; L211-L216 HydrophobicContact CB-CD1 4.2Å; N214-L216 HydrophobicContact CB-CG 4.26Å; L216-I221 HydrophobicContact CD2-CG1 4.29Å; L216-L237 HydrophobicContact CD1-CD2 3.62Å; L216-N240 HydrophobicContact CB-CB 4.26Å; L216-N240 VanDerWaalsContact CB-OD1 3.25Å; L216-N240 WeakPolarHBondContact CB-OD1 3.4Å; L216-N240 WeakPolarHBondContact CG-OD1 3.44Å; L216-N240 PolarHBondContact N-OD1 3Å; L216-N240 VanDerWaalsContact N-OD1 3.1Å; L216-S241 CarbonylContact O-C 3.1Å; L216-S241 VanDerWaalsContact O-C 3.31Å; L216-S241 WeakPolarHBondContact O-CA 3.43Å; L216-S241 WeakPolarHBondContact O-CB 3.39Å; L216-S241 PolarHBondContact O-N 3.02Å; L216-L242 HydrophobicContact CB-CD2 4.4Å
217	T	97.7	Very high	96	Very high	58 Å²	58	40.4 Å²	40.4	36%	0.356	22%	0.216	S	C	.	.			trans	-114.5	170.4	169.2	65.4	0	0	0	0	109.1	L215 E219 G220 I221	L215-T217 PolarHBondContact O-N 3.49Å; T217-E219 VanDerWaalsContact C-N 3.27Å; T217-E219 PolarHBondContact O-N 3.01Å; T217-G220 PolarHBondContact O-N 2.83Å; T217-G220 VanDerWaalsContact O-N 3.1Å; T217-G220 PolarHBondContact OG1-N 2.95Å; T217-I221 PolarHBondContact O-N 3.14Å
218	D	95.3	Very high	95.7	Very high	22 Å²	22	41.6 Å²	41.6	12%	0.118	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-28.4	-177.5	-39.8	-60.2	0	0	0	113.8	G220 L242 T243 Y244	D218-G220 VanDerWaalsContact C-N 3.34Å; D218-L242 WeakPolarHBondContact OD1-CA 3.32Å; D218-T243 PolarHBondContact OD1-N 2.94Å; D218-T243 VanDerWaalsContact OD2-CB 3.26Å; D218-T243 WeakPolarHBondContact OD2-CB 3.05Å; D218-T243 WeakPolarHBondContact OD2-CG2 3.41Å; D218-T243 PolarHBondContact OD2-N 3.45Å; D218-T243 PolarHBondContact OD2-OG1 2.99Å; D218-Y244 HydrophobicContact CB-CD1 4.04Å; D218-Y244 HydrophobicContact CB-CD2 4.16Å; D218-Y244 HydrophobicContact CB-CE1 3.35Å; D218-Y244 HydrophobicContact CB-CE2 3.49Å; D218-Y244 VanDerWaalsContact CB-CE2 3.49Å; D218-Y244 HydrophobicContact CB-CG 4.41Å; D218-Y244 WeakPolarHBondContact CB-OH 3.43Å; D218-Y244 PolarHBondContact OD1-N 3.37Å; D218-Y244 VanDerWaalsContact OD1-N 3.13Å; D218-Y244 WeakPolarHBondContact OD2-CD1 3.31Å; D218-Y244 VanDerWaalsContact OD2-CE1 3.29Å; D218-Y244 WeakPolarHBondContact OD2-CE1 3.34Å
219	E	94.9	Very high	95.5	Very high	187 Å²	187	37.8 Å²	37.8	87%	0.874	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-24.7	173.5	-61.6	-175.1	168	0	0	112.1	T217 I221	T217-E219 VanDerWaalsContact C-N 3.27Å; T217-E219 PolarHBondContact O-N 3.01Å; E219-I221 VanDerWaalsContact C-N 3.27Å; E219-I221 PolarHBondContact O-N 3.18Å
220	G	95.3	Very high	95.3	Very high	6 Å²	6	40.3 Å²	40.3	6%	0.062	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-21.5	177.4	0	0	0	0	0	113.5	A193 V194 I195 T217 D218	A193-G220 VanDerWaalsContact O-CA 3.3Å; A193-G220 WeakPolarHBondContact O-CA 3.33Å; V194-G220 CarbonylContact C-O 3.19Å; V194-G220 VanDerWaalsContact CA-O 3.32Å; V194-G220 WeakPolarHBondContact CA-O 3.42Å; I195-G220 PolarHBondContact N-O 3.48Å; T217-G220 PolarHBondContact O-N 2.83Å; T217-G220 VanDerWaalsContact O-N 3.1Å; T217-G220 PolarHBondContact OG1-N 2.95Å; D218-G220 VanDerWaalsContact C-N 3.34Å
221	I	96.6	Very high	95.2	Very high	12 Å²	12	41.9 Å²	41.9	6%	0.062	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-99.1	112.1	-178.8	-58.7	179.1	0	0	0	109.3	I195 L216 T217 E219 T225 F226 L242 P246	I195-I221 HydrophobicContact CD1-CG1 4.27Å; L216-I221 HydrophobicContact CD2-CG1 4.29Å; T217-I221 PolarHBondContact O-N 3.14Å; E219-I221 VanDerWaalsContact C-N 3.27Å; E219-I221 PolarHBondContact O-N 3.18Å; I221-T225 HydrophobicContact CG2-CG2 3.69Å; I221-F226 HydrophobicContact CD1-CE2 4.49Å; I221-F226 HydrophobicContact CG2-CE2 3.72Å; I221-F226 HydrophobicContact CG2-CZ 4.25Å; I221-L242 HydrophobicContact CD1-CD2 3.74Å; I221-P246 HydrophobicContact CD1-CG 3.93Å
222	S	94.7	Very high	95.2	Very high	30 Å²	30	42 Å²	42	21%	0.21	24%	0.236	C	C	.	.			trans	-61.5	133.7	175.8	-56.2	0	0	0	0	110.9	I195 E197 G224 T225	I195-S222 WeakPolarHBondContact O-CB 3.45Å; I195-S222 PolarHBondContact O-N 2.65Å; I195-S222 VanDerWaalsContact O-N 3.15Å; I195-S222 PolarHBondContact O-OG 2.83Å; E197-S222 PolarHBondContact N-OG 3.47Å; S222-G224 PolarHBondContact O-N 3.26Å; S222-T225 WeakPolarHBondContact O-CB 3.43Å; S222-T225 VanDerWaalsContact O-CG2 3.32Å; S222-T225 WeakPolarHBondContact O-CG2 3.29Å; S222-T225 PolarHBondContact O-N 2.91Å
223	P	88.9	Confident	95.2	Very high	99 Å²	99	46.5 Å²	46.5	64%	0.643	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	131.8	179.4	-24	33.3	0	0	0	111.7	T225	P223-T225 VanDerWaalsContact C-N 3.29Å; P223-T225 PolarHBondContact O-N 3.38Å
224	G	86.9	Confident	95.2	Very high	15 Å²	15	47 Å²	47	16%	0.155	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	2.1	178.1	0	0	0	0	0	115.5	S222 F226 Q227	S222-G224 PolarHBondContact O-N 3.26Å; G224-F226 PolarHBondContact O-N 3.3Å; G224-Q227 WeakPolarHBondContact O-CB 3.21Å; G224-Q227 PolarHBondContact O-N 3.01Å
225	T	93.4	Very high	95.2	Very high	7 Å²	7	46.6 Å²	46.6	4%	0.043	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-28.3	179.2	-170.2	0	0	0	0	113.9	I195 A196 I221 S222 P223	I195-T225 HydrophobicContact CG2-CG2 4Å; I195-T225 WeakPolarHBondContact CG2-OG1 3.25Å; A196-T225 PolarHBondContact O-OG1 2.95Å; A196-T225 VanDerWaalsContact O-OG1 3.14Å; I221-T225 HydrophobicContact CG2-CG2 3.69Å; S222-T225 WeakPolarHBondContact O-CB 3.43Å; S222-T225 VanDerWaalsContact O-CG2 3.32Å; S222-T225 WeakPolarHBondContact O-CG2 3.29Å; S222-T225 PolarHBondContact O-N 2.91Å; P223-T225 VanDerWaalsContact C-N 3.29Å; P223-T225 PolarHBondContact O-N 3.38Å
226	F	94.8	Very high	95.2	Very high	3 Å²	3	42.2 Å²	42.2	1%	0.013	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-4.1	177.6	-53.9	-62	0	0	0	114	I195 F200 L209 L211 I221 G224 D228 L229 P246 L249 P250	I195-F226 HydrophobicContact CD1-CE1 4.32Å; I195-F226 HydrophobicContact CD1-CZ 3.89Å; F200-F226 HydrophobicContact CD2-CD1 4.25Å; F200-F226 HydrophobicContact CD2-CE1 4.35Å; F200-F226 HydrophobicContact CE2-CD1 4.05Å; F200-F226 AromaticContact CE2-CE1 3.71Å; F200-F226 HydrophobicContact CE2-CE1 3.71Å; F200-F226 HydrophobicContact CZ-CE1 4.46Å; L209-F226 HydrophobicContact CD2-CD1 4.15Å; L209-F226 HydrophobicContact CD2-CE1 3.88Å; L211-F226 HydrophobicContact CD1-CE1 4.3Å; L211-F226 HydrophobicContact CD1-CZ 4.45Å; I221-F226 HydrophobicContact CD1-CE2 4.49Å; I221-F226 HydrophobicContact CG2-CE2 3.72Å; I221-F226 HydrophobicContact CG2-CZ 4.25Å; G224-F226 PolarHBondContact O-N 3.3Å; F226-D228 VanDerWaalsContact C-N 3.33Å; F226-D228 PolarHBondContact O-N 3.13Å; F226-L229 HydrophobicContact CB-CD1 4.27Å; F226-L229 HydrophobicContact CD1-CD1 3.92Å; F226-L229 WeakPolarHBondContact O-CB 3.38Å; F226-L229 PolarHBondContact O-N 3.13Å; F226-P246 HydrophobicContact CD2-CB 4.4Å; F226-P246 HydrophobicContact CE2-CB 4.16Å; F226-P246 HydrophobicContact CE2-CG 4.31Å; F226-L249 HydrophobicContact CD2-CD2 4.02Å; F226-P250 WeakPolarHBondContact O-CD 3.4Å; F226-P250 WeakPolarHBondContact O-CG 3.48Å
227	Q	91.7	Very high	95.2	Very high	109 Å²	109	42.2 Å²	42.2	51%	0.509	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-37.9	-168.6	-175.8	170.7	19.9	0	0	112.5	G224 L229	G224-Q227 WeakPolarHBondContact O-CB 3.21Å; G224-Q227 PolarHBondContact O-N 3.01Å; Q227-L229 PolarHBondContact O-N 3.04Å
228	D	91.1	Very high	95.3	Very high	94 Å²	94	39.4 Å²	39.4	50%	0.503	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-5.1	-177.2	-65.5	-23.2	0	0	0	113.4	F226 V230	F226-D228 VanDerWaalsContact C-N 3.33Å; F226-D228 PolarHBondContact O-N 3.13Å; D228-V230 PolarHBondContact O-N 2.98Å
229	L	95.8	Very high	95.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.219	C	C	.	.			trans	-79.1	58.7	178.4	-57.3	179	0	0	0	111.2	F200 V203 L206 L209 F226 Q227 T231 L232 P250	F200-L229 HydrophobicContact CB-CD2 4Å; F200-L229 HydrophobicContact CB-CG 4.48Å; F200-L229 HydrophobicContact CG-CD1 4.4Å; F200-L229 HydrophobicContact CG-CD2 4.4Å; V203-L229 HydrophobicContact CB-CD2 4.47Å; V203-L229 VanDerWaalsContact O-CD2 3.27Å; V203-L229 WeakPolarHBondContact O-CD2 3.31Å; L206-L229 HydrophobicContact CB-CD2 4.11Å; L206-L229 HydrophobicContact CD2-CD1 4.32Å; L206-L229 HydrophobicContact CD2-CD2 4.09Å; L209-L229 HydrophobicContact CD2-CD1 4.15Å; F226-L229 HydrophobicContact CB-CD1 4.27Å; F226-L229 HydrophobicContact CD1-CD1 3.92Å; F226-L229 WeakPolarHBondContact O-CB 3.38Å; F226-L229 PolarHBondContact O-N 3.13Å; Q227-L229 PolarHBondContact O-N 3.04Å; L229-T231 PolarHBondContact O-N 3.2Å; L229-L232 HydrophobicContact CB-CB 3.97Å; L229-L232 HydrophobicContact CB-CD2 4.24Å; L229-L232 HydrophobicContact CD1-CD2 4Å; L229-L232 WeakPolarHBondContact O-CB 3.43Å; L229-L232 PolarHBondContact O-N 3.01Å; L229-P250 HydrophobicContact CB-CG 4.32Å; L229-P250 WeakPolarHBondContact O-CB 3.49Å
230	V	94.4	Very high	95.6	Very high	53 Å²	53	34 Å²	34	32%	0.321	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-26.8	-171.4	-63.4	0	0	0	0	114	D228 M253	D228-V230 PolarHBondContact O-N 2.98Å; V230-M253 WeakPolarHBondContact O-CB 3.42Å; V230-M253 WeakPolarHBondContact O-CG 3.04Å
231	T	97.3	Very high	95.7	Very high	47 Å²	47	35.6 Å²	35.6	29%	0.288	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	0.6	178.7	59.2	0	0	0	0	114.2	T204 R205 L206 L229 R233	T204-T231 WeakPolarHBondContact O-CG2 3.38Å; T204-T231 PolarHBondContact O-OG1 3.05Å; R205-T231 WeakPolarHBondContact CA-OG1 3.22Å; R205-T231 PolarHBondContact O-OG1 3.35Å; L206-T231 PolarHBondContact N-OG1 3.48Å; L206-T231 CarbonylContact O-C 3.49Å; L206-T231 VanDerWaalsContact O-C 3.3Å; L206-T231 PolarHBondContact O-OG1 3.17Å; L229-T231 PolarHBondContact O-N 3.2Å; T231-R233 PolarHBondContact O-N 3.1Å
232	L	98.2	Very high	95.8	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	19%	0.188	C	C	.	.			trans	-64.5	128.3	-174.1	-164.4	70.3	0	0	0	111.5	L206 L209 L229 L235 P250 M253 L254	L206-L232 HydrophobicContact CD2-CD1 4.25Å; L206-L232 HydrophobicContact CG-CD1 4.23Å; L206-L232 WeakPolarHBondContact O-CA 3.32Å; L206-L232 PolarHBondContact O-N 2.99Å; L206-L232 VanDerWaalsContact O-N 3.11Å; L209-L232 HydrophobicContact CB-CD1 3.91Å; L229-L232 HydrophobicContact CB-CB 3.97Å; L229-L232 HydrophobicContact CB-CD2 4.24Å; L229-L232 HydrophobicContact CD1-CD2 4Å; L229-L232 WeakPolarHBondContact O-CB 3.43Å; L229-L232 PolarHBondContact O-N 3.01Å; L232-L235 HydrophobicContact CD2-CB 4Å; L232-L235 HydrophobicContact CD2-CD1 4.43Å; L232-L235 HydrophobicContact CD2-CD2 4.38Å; L232-P250 HydrophobicContact CB-CG 4.19Å; L232-P250 HydrophobicContact CD2-CG 3.84Å; L232-M253 CarbonylContact O-C 3.49Å; L232-L254 HydrophobicContact CB-CD1 4.46Å; L232-L254 HydrophobicContact CD2-CD1 4.11Å; L232-L254 HydrophobicContact CG-CD1 4.05Å; L232-L254 WeakPolarHBondContact O-CA 3.45Å; L232-L254 PolarHBondContact O-N 3.19Å; L232-L254 VanDerWaalsContact O-N 3.08Å
233	R	98.3	Very high	95.9	Very high	114 Å²	114	36 Å²	36	43%	0.43	19%	0.192	S	C	.	.			trans	-112.2	-33	-178.7	-63.2	177.9	-179.7	-99.3	3	112.5	E207 T231 V255 K256	E207-R233 WeakPolarHBondContact O-CA 3.47Å; E207-R233 WeakPolarHBondContact O-CB 3.31Å; E207-R233 PolarHBondContact O-N 2.95Å; E207-R233 IonicContact OE2-NE 3.39Å; T231-R233 PolarHBondContact O-N 3.1Å; R233-V255 HydrophobicContact CB-CG2 4.46Å; R233-V255 WeakPolarHBondContact O-CA 3.47Å; R233-V255 PolarHBondContact O-N 2.9Å; R233-K256 PolarHBondContact O-N 2.67Å
234	D	98.6	Very high	96.3	Very high	23 Å²	23	35.9 Å²	35.9	12%	0.123	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	110.6	-172.3	-160.6	-19.7	0	0	0	109.5	E207 R208 L209 K256	E207-D234 PolarHBondContact O-N 2.89Å; E207-D234 VanDerWaalsContact O-N 3.16Å; R208-D234 WeakPolarHBondContact CA-O 3.45Å; R208-D234 HydrophobicContact CB-CB 4.39Å; R208-D234 HydrophobicContact CG-CB 4.07Å; R208-D234 IonicContact NE-OD2 2.66Å; L209-D234 PolarHBondContact N-O 3.24Å; D234-K256 HydrophobicContact CB-CB 4.5Å; D234-K256 WeakPolarHBondContact OD2-CD 3.45Å; D234-K256 IonicContact OD2-NZ 2.73Å; D234-K256 PolarHBondContact OD2-NZ 2.68Å
235	L	98.4	Very high	96.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	121.7	177.1	177.5	59.7	0	0	0	109.6	L209 L232 L237 L249 L254 K256 L257 N258	L209-L235 HydrophobicContact CB-CD1 4.09Å; L209-L235 HydrophobicContact CD2-CD1 3.94Å; L209-L235 HydrophobicContact CG-CD1 4.03Å; L232-L235 HydrophobicContact CD2-CB 4Å; L232-L235 HydrophobicContact CD2-CD1 4.43Å; L232-L235 HydrophobicContact CD2-CD2 4.38Å; L235-L237 HydrophobicContact CD1-CD1 4.42Å; L235-L237 HydrophobicContact CD1-CG 4.34Å; L235-L237 HydrophobicContact CD2-CD1 4.22Å; L235-L237 HydrophobicContact CG-CD1 4.3Å; L235-L249 HydrophobicContact CD2-CD2 3.73Å; L235-L254 HydrophobicContact CB-CD1 3.96Å; L235-K256 PolarHBondContact N-O 3.31Å; L235-L257 HydrophobicContact CB-CD1 3.99Å; L235-L257 HydrophobicContact CD2-CD1 3.88Å; L235-L257 HydrophobicContact CG-CD1 3.99Å; L235-L257 WeakPolarHBondContact O-CA 3.31Å; L235-N258 PolarHBondContact O-N 3.35Å
236	S	98.6	Very high	96.7	Very high	6 Å²	6	35.1 Å²	35.1	4%	0.042	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	121.7	177.1	-157.2	0	0	0	0	110.8	L209 L211 D212 N258	L209-S236 PolarHBondContact O-N 3.49Å; L209-S236 VanDerWaalsContact O-N 3.08Å; L211-S236 PolarHBondContact N-O 3.27Å; D212-S236 VanDerWaalsContact OD1-C 3.29Å; D212-S236 WeakPolarHBondContact OD1-CB 3.47Å; D212-S236 PolarHBondContact OD1-OG 3.29Å; D212-S236 WeakPolarHBondContact OD2-CB 3.43Å; D212-S236 PolarHBondContact OD2-OG 2.93Å; D212-S236 VanDerWaalsContact OD2-OG 3.09Å; S236-N258 WeakPolarHBondContact OG-CB 3.45Å; S236-N258 PolarHBondContact OG-ND2 3.42Å; S236-N258 VanDerWaalsContact OG-ND2 3.09Å
237	L	98.4	Very high	96.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.19	C	C	.	.			trans	-124	31.5	178	-74.4	161.5	0	0	0	109.7	L211 L216 L235 N240 L242 P246 N258 F259 N262	L211-L237 HydrophobicContact CB-CD2 3.79Å; L211-L237 HydrophobicContact CD1-CD2 3.9Å; L216-L237 HydrophobicContact CD1-CD2 3.62Å; L235-L237 HydrophobicContact CD1-CD1 4.42Å; L235-L237 HydrophobicContact CD1-CG 4.34Å; L235-L237 HydrophobicContact CD2-CD1 4.22Å; L235-L237 HydrophobicContact CG-CD1 4.3Å; L237-N240 PolarHBondContact O-ND2 3.02Å; L237-L242 HydrophobicContact CB-CD1 4.12Å; L237-L242 HydrophobicContact CD1-CD1 4.38Å; L237-P246 HydrophobicContact CD1-CG 3.94Å; L237-N258 PolarHBondContact N-O 2.8Å; L237-F259 HydrophobicContact CB-CD1 4.09Å; L237-F259 HydrophobicContact CB-CE1 4.24Å; L237-F259 HydrophobicContact CD1-CD1 4.42Å; L237-F259 HydrophobicContact CD1-CE1 3.73Å; L237-N262 PolarHBondContact O-ND2 3.34Å
238	A	98.5	Very high	96.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.19	C	C	.	.			trans	-66.3	159.3	-178.5	0	0	0	0	0	112.1	D212 G213 N240 Q260	D212-A238 CarbonylContact C-O 3.43Å; D212-A238 WeakPolarHBondContact CA-O 3.37Å; D212-A238 HydrophobicContact CB-CB 4.17Å; D212-A238 WeakPolarHBondContact OD1-CA 3.42Å; D212-A238 WeakPolarHBondContact OD1-CB 3.32Å; D212-A238 PolarHBondContact OD1-N 3.02Å; G213-A238 PolarHBondContact N-O 3.29Å; A238-N240 VanDerWaalsContact C-N 3.32Å; A238-N240 PolarHBondContact O-N 3.36Å; A238-N240 PolarHBondContact O-ND2 3.06Å; A238-Q260 CarbonylContact C-O 3.44Å; A238-Q260 WeakPolarHBondContact CA-O 3.44Å; A238-Q260 HydrophobicContact CB-CG 3.35Å
239	R	98.5	Very high	96.5	Very high	85 Å²	85	33.1 Å²	33.1	32%	0.321	17%	0.168	S	C	.	.	S	Bend	trans	51.4	51.3	174.6	-58.9	-167.7	-56.1	-76.8	-6.5	112.1	E189 G213 N214 Q260 E261	E189-R239 IonicContact OE1-CZ 3.19Å; E189-R239 IonicContact OE1-NE 3.58Å; E189-R239 PolarHBondContact OE1-NE 2.76Å; E189-R239 IonicContact OE1-NH2 2.74Å; E189-R239 PolarHBondContact OE1-NH2 3.09Å; G213-R239 WeakPolarHBondContact CA-O 3.38Å; G213-R239 PolarHBondContact N-O 2.79Å; N214-R239 PolarHBondContact N-O 2.88Å; R239-Q260 PolarHBondContact N-O 3.16Å; R239-E261 WeakPolarHBondContact CA-O 3.42Å; R239-E261 HydrophobicContact CG-CB 3.88Å; R239-E261 HydrophobicContact CG-CG 4.47Å; R239-E261 VanDerWaalsContact CG-OE2 3.29Å; R239-E261 WeakPolarHBondContact CG-OE2 3.25Å; R239-E261 PolarHBondContact N-O 3.38Å
240	N	98.6	Very high	96.4	Very high	9 Å²	9	33.5 Å²	33.5	5%	0.048	17%	0.17	C	C	.	.	S	Bend	trans	-125.8	-171.8	175.7	-83.7	-79.3	0	0	0	109.3	L211 N214 L216 L237 A238 L242 E261 N262	L211-N240 PolarHBondContact O-ND2 2.76Å; N214-N240 WeakPolarHBondContact CA-OD1 3.2Å; N214-N240 WeakPolarHBondContact CB-OD1 3.44Å; N214-N240 PolarHBondContact N-OD1 2.85Å; N214-N240 PolarHBondContact O-OD1 3.28Å; N214-N240 VanDerWaalsContact O-OD1 3.12Å; L216-N240 HydrophobicContact CB-CB 4.26Å; L216-N240 VanDerWaalsContact CB-OD1 3.25Å; L216-N240 WeakPolarHBondContact CB-OD1 3.4Å; L216-N240 WeakPolarHBondContact CG-OD1 3.44Å; L216-N240 PolarHBondContact N-OD1 3Å; L216-N240 VanDerWaalsContact N-OD1 3.1Å; L237-N240 PolarHBondContact O-ND2 3.02Å; A238-N240 VanDerWaalsContact C-N 3.32Å; A238-N240 PolarHBondContact O-N 3.36Å; A238-N240 PolarHBondContact O-ND2 3.06Å; N240-L242 HydrophobicContact CB-CG 4.35Å; N240-E261 PolarHBondContact N-O 3.08Å; N240-N262 WeakPolarHBondContact CA-OD1 3.19Å; N240-N262 WeakPolarHBondContact CB-OD1 3.14Å; N240-N262 PolarHBondContact O-OD1 2.72Å
241	S	98.2	Very high	96.1	Very high	41 Å²	41	31.7 Å²	31.7	29%	0.287	16%	0.162	S	C	.	.			trans	-114	36.6	-179.2	-62.7	0	0	0	0	112.5	L216	L216-S241 CarbonylContact O-C 3.1Å; L216-S241 VanDerWaalsContact O-C 3.31Å; L216-S241 WeakPolarHBondContact O-CA 3.43Å; L216-S241 WeakPolarHBondContact O-CB 3.39Å; L216-S241 PolarHBondContact O-N 3.02Å
242	L	98.1	Very high	95.7	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	18%	0.177	C	C	.	.			trans	-74.4	134.8	179.1	-57.9	176.3	0	0	0	111.2	L216 D218 I221 L237 N240 P246 F259 N262 Q263 I264	L216-L242 HydrophobicContact CB-CD2 4.4Å; D218-L242 WeakPolarHBondContact OD1-CA 3.32Å; I221-L242 HydrophobicContact CD1-CD2 3.74Å; L237-L242 HydrophobicContact CB-CD1 4.12Å; L237-L242 HydrophobicContact CD1-CD1 4.38Å; N240-L242 HydrophobicContact CB-CG 4.35Å; L242-P246 HydrophobicContact CD1-CG 4.42Å; L242-F259 HydrophobicContact CD1-CD1 4.3Å; L242-F259 HydrophobicContact CD1-CE1 4.44Å; L242-N262 HydrophobicContact CB-CB 4.32Å; L242-N262 WeakPolarHBondContact CB-OD1 3.39Å; L242-N262 WeakPolarHBondContact CG-OD1 2.99Å; L242-N262 PolarHBondContact N-OD1 3.4Å; L242-N262 VanDerWaalsContact N-OD1 3.08Å; L242-Q263 CarbonylContact O-C 3.31Å; L242-Q263 VanDerWaalsContact O-CA 3.27Å; L242-Q263 WeakPolarHBondContact O-CA 3.48Å; L242-Q263 PolarHBondContact O-N 2.99Å; L242-I264 HydrophobicContact CB-CG1 4.43Å; L242-I264 PolarHBondContact O-N 3.01Å; L242-I264 VanDerWaalsContact O-N 3.11Å
243	T	97.6	Very high	95.7	Very high	49 Å²	49	37.6 Å²	37.6	30%	0.301	19%	0.187	S	C	.	.	S	Bend	trans	-101.4	-16.8	173.6	81.5	0	0	0	0	113	D218 I264 T265	D218-T243 PolarHBondContact OD1-N 2.94Å; D218-T243 VanDerWaalsContact OD2-CB 3.26Å; D218-T243 WeakPolarHBondContact OD2-CB 3.05Å; D218-T243 WeakPolarHBondContact OD2-CG2 3.41Å; D218-T243 PolarHBondContact OD2-N 3.45Å; D218-T243 PolarHBondContact OD2-OG1 2.99Å; T243-I264 VanDerWaalsContact O-CA 3.32Å; T243-I264 WeakPolarHBondContact O-CA 2.99Å; T243-T265 PolarHBondContact O-N 2.89Å
244	Y	96.1	Very high	95.6	Very high	96 Å²	96	32.1 Å²	32.1	38%	0.376	17%	0.166	S	C	.	.	S	Bend	trans	-140.9	154	169	48.3	-94.2	0	0	0	111.6	D218	D218-Y244 HydrophobicContact CB-CD1 4.04Å; D218-Y244 HydrophobicContact CB-CD2 4.16Å; D218-Y244 HydrophobicContact CB-CE1 3.35Å; D218-Y244 HydrophobicContact CB-CE2 3.49Å; D218-Y244 VanDerWaalsContact CB-CE2 3.49Å; D218-Y244 HydrophobicContact CB-CG 4.41Å; D218-Y244 WeakPolarHBondContact CB-OH 3.43Å; D218-Y244 PolarHBondContact OD1-N 3.37Å; D218-Y244 VanDerWaalsContact OD1-N 3.13Å; D218-Y244 WeakPolarHBondContact OD2-CD1 3.31Å; D218-Y244 VanDerWaalsContact OD2-CE1 3.29Å; D218-Y244 WeakPolarHBondContact OD2-CE1 3.34Å
245	P	95.3	Very high	95.6	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.013	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-60.6	139.1	170.2	-23	35.3	0	0	0	110.7	F259 I264 I267 A271	P245-F259 HydrophobicContact CB-CE2 3.97Å; P245-F259 HydrophobicContact CB-CZ 3.93Å; P245-F259 HydrophobicContact CG-CE2 4.48Å; P245-I264 HydrophobicContact CG-CD1 4.33Å; P245-I264 HydrophobicContact CG-CG2 4.47Å; P245-I267 HydrophobicContact CG-CB 4.5Å; P245-I267 HydrophobicContact CG-CG1 4.07Å; P245-I267 HydrophobicContact CG-CG2 4.17Å; P245-A271 HydrophobicContact CB-CB 4.3Å
246	P	94.3	Very high	95.6	Very high	4 Å²	4	36.6 Å²	36.6	3%	0.026	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-55.6	138.9	179.3	-26.1	34.6	0	0	0	112	I221 F226 L237 L242 L249 F259	I221-P246 HydrophobicContact CD1-CG 3.93Å; F226-P246 HydrophobicContact CD2-CB 4.4Å; F226-P246 HydrophobicContact CE2-CB 4.16Å; F226-P246 HydrophobicContact CE2-CG 4.31Å; L237-P246 HydrophobicContact CD1-CG 3.94Å; L242-P246 HydrophobicContact CD1-CG 4.42Å; P246-L249 HydrophobicContact CB-CD2 4.2Å; P246-F259 HydrophobicContact CG-CE1 4.42Å
247	P	89.9	Confident	95.6	Very high	60 Å²	60	36.5 Å²	36.5	39%	0.39	19%	0.186	S	C	.	.	S	Bend	trans	-71.2	155.6	175.8	30.9	-34.7	0	0	0	111	L249	P247-L249 PolarHBondContact O-N 3.33Å
248	L	90.3	Very high	95.6	Very high	98 Å²	98	37.9 Å²	37.9	51%	0.513	19%	0.194	S	C	.	.	S	Bend	trans	60.9	42	171.5	-54.1	172.7	0	0	0	114.7
249	L	93.7	Very high	95.6	Very high	6 Å²	6	37.9 Å²	37.9	3%	0.031	19%	0.194	C	C	.	.			trans	-63.4	146.4	172.6	-66.5	171.1	0	0	0	112	F226 L235 P246 P247 G251 L257 F259 L275	F226-L249 HydrophobicContact CD2-CD2 4.02Å; L235-L249 HydrophobicContact CD2-CD2 3.73Å; P246-L249 HydrophobicContact CB-CD2 4.2Å; P247-L249 PolarHBondContact O-N 3.33Å; L249-G251 PolarHBondContact O-N 3.01Å; L249-L257 HydrophobicContact CD1-CD1 4.46Å; L249-L257 HydrophobicContact CD1-CD2 3.81Å; L249-F259 HydrophobicContact CD1-CZ 3.99Å; L249-L275 HydrophobicContact CB-CD2 4.09Å; L249-L275 HydrophobicContact CD1-CD1 4.42Å
250	P	92.3	Very high	95.6	Very high	9 Å²	9	36.1 Å²	36.1	6%	0.058	19%	0.189	C	C	.	.			trans	-69.5	115.4	179.7	28.5	-34	0	0	0	110	F226 L229 L232 L254	F226-P250 WeakPolarHBondContact O-CD 3.4Å; F226-P250 WeakPolarHBondContact O-CG 3.48Å; L229-P250 HydrophobicContact CB-CG 4.32Å; L229-P250 WeakPolarHBondContact O-CB 3.49Å; L232-P250 HydrophobicContact CB-CG 4.19Å; L232-P250 HydrophobicContact CD2-CG 3.84Å; P250-L254 VanDerWaalsContact O-CB 3.23Å; P250-L254 WeakPolarHBondContact O-CB 3.33Å
251	G	88.1	Confident	95.6	Very high	14 Å²	14	40 Å²	40	14%	0.144	21%	0.207	C	C	.	.			trans	-95.5	-11.3	-175	0	0	0	0	0	115.8	L249 S274	L249-G251 PolarHBondContact O-N 3.01Å; G251-S274 WeakPolarHBondContact CA-O 3.38Å
252	E	90.7	Very high	95.6	Very high	128 Å²	128	38.4 Å²	38.4	60%	0.598	20%	0.195	S	C	*	.	S	Bend	trans	-67.7	-41.8	-169.3	-64.3	-165.9	177.2	0	0	113.6	R277	E252-R277 WeakPolarHBondContact O-CD 3.41Å; E252-R277 PolarHBondContact O-NE 3.08Å
253	M	96.4	Very high	95.6	Very high	44 Å²	44	43.1 Å²	43.1	22%	0.217	22%	0.217	C	C	.	.	S	Bend	trans	-127.7	-3.2	-172.2	-65.7	-62.4	-65.1	0	0	114.2	V230 L232 V255 R277	V230-M253 WeakPolarHBondContact O-CB 3.42Å; V230-M253 WeakPolarHBondContact O-CG 3.04Å; L232-M253 CarbonylContact O-C 3.49Å; M253-V255 WeakPolarHBondContact O-CG2 3.44Å; M253-V255 PolarHBondContact O-N 2.74Å; M253-R277 PolarHBondContact SD-NH1 2.83Å
254	L	97.6	Very high	95.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.203	C	C	.	.			trans	-69.1	123.4	-171.2	-164	72	0	0	0	111.6	L232 L235 P250 L257 L275 R277 L278	L232-L254 HydrophobicContact CB-CD1 4.46Å; L232-L254 HydrophobicContact CD2-CD1 4.11Å; L232-L254 HydrophobicContact CG-CD1 4.05Å; L232-L254 WeakPolarHBondContact O-CA 3.45Å; L232-L254 PolarHBondContact O-N 3.19Å; L232-L254 VanDerWaalsContact O-N 3.08Å; L235-L254 HydrophobicContact CB-CD1 3.96Å; P250-L254 VanDerWaalsContact O-CB 3.23Å; P250-L254 WeakPolarHBondContact O-CB 3.33Å; L254-L257 HydrophobicContact CD2-CB 4.38Å; L254-L257 HydrophobicContact CD2-CD1 4.36Å; L254-L257 HydrophobicContact CD2-CD2 4.32Å; L254-L275 HydrophobicContact CD2-CD1 4.47Å; L254-L275 HydrophobicContact CD2-CD2 3.96Å; L254-R277 CarbonylContact O-C 3.57Å; L254-L278 HydrophobicContact CD2-CD1 4.26Å; L254-L278 HydrophobicContact CG-CD1 4.18Å; L254-L278 VanDerWaalsContact O-CA 3.31Å; L254-L278 WeakPolarHBondContact O-CA 3.44Å; L254-L278 PolarHBondContact O-N 3.15Å; L254-L278 VanDerWaalsContact O-N 3.16Å
255	V	98.2	Very high	95.7	Very high	33 Å²	33	39.4 Å²	39.4	20%	0.2	21%	0.205	C	C	.	.			trans	-110.4	-38.6	-175.3	179.7	0	0	0	0	111.3	R233 M253 E279 K280	R233-V255 HydrophobicContact CB-CG2 4.46Å; R233-V255 WeakPolarHBondContact O-CA 3.47Å; R233-V255 PolarHBondContact O-N 2.9Å; M253-V255 WeakPolarHBondContact O-CG2 3.44Å; M253-V255 PolarHBondContact O-N 2.74Å; V255-E279 HydrophobicContact CG1-CB 3.9Å; V255-E279 HydrophobicContact CG1-CG 3.89Å; V255-E279 PolarHBondContact O-N 3.19Å; V255-K280 PolarHBondContact O-N 3.49Å
256	K	98.5	Very high	95.7	Very high	84 Å²	84	46.7 Å²	46.7	37%	0.365	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	133.1	-178.8	-53.8	-171.8	-145.6	141.1	0	110.5	R233 D234 L235 K280	R233-K256 PolarHBondContact O-N 2.67Å; D234-K256 HydrophobicContact CB-CB 4.5Å; D234-K256 WeakPolarHBondContact OD2-CD 3.45Å; D234-K256 IonicContact OD2-NZ 2.73Å; D234-K256 PolarHBondContact OD2-NZ 2.68Å; L235-K256 PolarHBondContact N-O 3.31Å; K256-K280 WeakPolarHBondContact CA-O 3.21Å; K256-K280 HydrophobicContact CB-CB 4.5Å; K256-K280 HydrophobicContact CD-CD 4.33Å; K256-K280 HydrophobicContact CG-CB 4.24Å; K256-K280 HydrophobicContact CG-CD 4.36Å; K256-K280 HydrophobicContact CG-CG 4.48Å
257	L	98.3	Very high	95.8	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.016	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	125.7	177.3	-175.2	57.2	0	0	0	109.4	L235 L249 L254 F259 L272 L275 L278 K280 L281 D282	L235-L257 HydrophobicContact CB-CD1 3.99Å; L235-L257 HydrophobicContact CD2-CD1 3.88Å; L235-L257 HydrophobicContact CG-CD1 3.99Å; L235-L257 WeakPolarHBondContact O-CA 3.31Å; L249-L257 HydrophobicContact CD1-CD1 4.46Å; L249-L257 HydrophobicContact CD1-CD2 3.81Å; L254-L257 HydrophobicContact CD2-CB 4.38Å; L254-L257 HydrophobicContact CD2-CD1 4.36Å; L254-L257 HydrophobicContact CD2-CD2 4.32Å; L257-F259 HydrophobicContact CD1-CE1 4.27Å; L257-F259 HydrophobicContact CD1-CE2 3.87Å; L257-F259 HydrophobicContact CD1-CZ 3.68Å; L257-F259 HydrophobicContact CD2-CD2 4.35Å; L257-F259 HydrophobicContact CD2-CE2 3.44Å; L257-F259 VanDerWaalsContact CD2-CE2 3.44Å; L257-F259 HydrophobicContact CD2-CZ 3.88Å; L257-F259 HydrophobicContact CG-CD2 4.05Å; L257-F259 HydrophobicContact CG-CE2 3.49Å; L257-F259 VanDerWaalsContact CG-CE2 3.49Å; L257-F259 HydrophobicContact CG-CZ 3.86Å; L257-L272 HydrophobicContact CD2-CD2 4.23Å; L257-L275 HydrophobicContact CD2-CD1 3.7Å; L257-L278 HydrophobicContact CB-CD1 3.62Å; L257-L278 HydrophobicContact CB-CD2 4.29Å; L257-K280 PolarHBondContact N-O 2.82Å; L257-L281 HydrophobicContact CB-CD1 4.14Å; L257-L281 HydrophobicContact CD2-CD1 4.18Å; L257-L281 HydrophobicContact CG-CD1 4.14Å; L257-L281 WeakPolarHBondContact O-CA 3.35Å; L257-D282 PolarHBondContact O-N 2.88Å
258	N	98.5	Very high	95.9	Very high	29 Å²	29	47 Å²	47	16%	0.155	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	118.3	-175	-175.1	11.6	0	0	0	111.2	L235 S236 L237 Q260	L235-N258 PolarHBondContact O-N 3.35Å; S236-N258 WeakPolarHBondContact OG-CB 3.45Å; S236-N258 PolarHBondContact OG-ND2 3.42Å; S236-N258 VanDerWaalsContact OG-ND2 3.09Å; L237-N258 PolarHBondContact N-O 2.8Å; N258-Q260 PolarHBondContact ND2-NE2 2.82Å; N258-Q260 WeakPolarHBondContact OD1-CB 3.46Å; N258-Q260 WeakPolarHBondContact OD1-CG 3.47Å; N258-Q260 PolarHBondContact OD1-N 3.25Å
259	F	98.3	Very high	95.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.231	C	C	.	.			trans	-120.8	19.4	175.9	-65.9	-60.4	0	0	0	112	L237 L242 P245 P246 L249 L257 N262 I264 L281 D282 L283 N286	L237-F259 HydrophobicContact CB-CD1 4.09Å; L237-F259 HydrophobicContact CB-CE1 4.24Å; L237-F259 HydrophobicContact CD1-CD1 4.42Å; L237-F259 HydrophobicContact CD1-CE1 3.73Å; L242-F259 HydrophobicContact CD1-CD1 4.3Å; L242-F259 HydrophobicContact CD1-CE1 4.44Å; P245-F259 HydrophobicContact CB-CE2 3.97Å; P245-F259 HydrophobicContact CB-CZ 3.93Å; P245-F259 HydrophobicContact CG-CE2 4.48Å; P246-F259 HydrophobicContact CG-CE1 4.42Å; L249-F259 HydrophobicContact CD1-CZ 3.99Å; L257-F259 HydrophobicContact CD1-CE1 4.27Å; L257-F259 HydrophobicContact CD1-CE2 3.87Å; L257-F259 HydrophobicContact CD1-CZ 3.68Å; L257-F259 HydrophobicContact CD2-CD2 4.35Å; L257-F259 HydrophobicContact CD2-CE2 3.44Å; L257-F259 VanDerWaalsContact CD2-CE2 3.44Å; L257-F259 HydrophobicContact CD2-CZ 3.88Å; L257-F259 HydrophobicContact CG-CD2 4.05Å; L257-F259 HydrophobicContact CG-CE2 3.49Å; L257-F259 VanDerWaalsContact CG-CE2 3.49Å; L257-F259 HydrophobicContact CG-CZ 3.86Å; F259-N262 PolarHBondContact O-ND2 3.04Å; F259-N262 VanDerWaalsContact O-ND2 3.08Å; F259-I264 HydrophobicContact CB-CD1 3.7Å; F259-I264 HydrophobicContact CD1-CD1 4.38Å; F259-I264 HydrophobicContact CG-CD1 4.03Å; F259-L281 HydrophobicContact CD2-CD1 4.28Å; F259-D282 PolarHBondContact N-O 3.01Å; F259-L283 HydrophobicContact CB-CD2 4.03Å; F259-L283 HydrophobicContact CD2-CD2 3.91Å; F259-L283 HydrophobicContact CG-CD2 4.41Å; F259-N286 PolarHBondContact O-ND2 3.34Å
260	Q	98	Very high	95.7	Very high	49 Å²	49	54 Å²	54	23%	0.229	27%	0.269	C	S	.	.			trans	-57.6	149.4	-178.3	72.2	-170.3	-23.8	0	0	111.8	A238 R239 N258 N262 S284	A238-Q260 CarbonylContact C-O 3.44Å; A238-Q260 WeakPolarHBondContact CA-O 3.44Å; A238-Q260 HydrophobicContact CB-CG 3.35Å; R239-Q260 PolarHBondContact N-O 3.16Å; N258-Q260 PolarHBondContact ND2-NE2 2.82Å; N258-Q260 WeakPolarHBondContact OD1-CB 3.46Å; N258-Q260 WeakPolarHBondContact OD1-CG 3.47Å; N258-Q260 PolarHBondContact OD1-N 3.25Å; Q260-N262 PolarHBondContact O-N 2.95Å; Q260-N262 PolarHBondContact O-ND2 3.04Å; Q260-S284 CarbonylContact C-O 3.59Å; Q260-S284 WeakPolarHBondContact CA-O 3.49Å
261	E	98.3	Very high	95.7	Very high	90 Å²	90	53.9 Å²	53.9	42%	0.421	27%	0.269	S	S	.	.	S	Bend	trans	57.1	50	175	-63.1	175.8	-134	0	0	112.5	R239 N240 S284 N285	R239-E261 WeakPolarHBondContact CA-O 3.42Å; R239-E261 HydrophobicContact CG-CB 3.88Å; R239-E261 HydrophobicContact CG-CG 4.47Å; R239-E261 VanDerWaalsContact CG-OE2 3.29Å; R239-E261 WeakPolarHBondContact CG-OE2 3.25Å; R239-E261 PolarHBondContact N-O 3.38Å; N240-E261 PolarHBondContact N-O 3.08Å; E261-S284 PolarHBondContact N-O 2.8Å; E261-N285 WeakPolarHBondContact CA-O 3.4Å; E261-N285 HydrophobicContact CB-CB 4.38Å; E261-N285 HydrophobicContact CG-CB 3.66Å; E261-N285 PolarHBondContact N-O 2.96Å
262	N	98.7	Very high	95.9	Very high	8 Å²	8	53.3 Å²	53.3	4%	0.043	26%	0.262	C	S	.	.	S	Bend	trans	-118.6	-172	170.2	-83.8	-85.6	0	0	0	109.7	L237 N240 L242 F259 Q260 I264 N285 N286	L237-N262 PolarHBondContact O-ND2 3.34Å; N240-N262 WeakPolarHBondContact CA-OD1 3.19Å; N240-N262 WeakPolarHBondContact CB-OD1 3.14Å; N240-N262 PolarHBondContact O-OD1 2.72Å; L242-N262 HydrophobicContact CB-CB 4.32Å; L242-N262 WeakPolarHBondContact CB-OD1 3.39Å; L242-N262 WeakPolarHBondContact CG-OD1 2.99Å; L242-N262 PolarHBondContact N-OD1 3.4Å; L242-N262 VanDerWaalsContact N-OD1 3.08Å; F259-N262 PolarHBondContact O-ND2 3.04Å; F259-N262 VanDerWaalsContact O-ND2 3.08Å; Q260-N262 PolarHBondContact O-N 2.95Å; Q260-N262 PolarHBondContact O-ND2 3.04Å; N262-I264 HydrophobicContact CB-CD1 4.26Å; N262-I264 HydrophobicContact CB-CG1 3.99Å; N262-N285 PolarHBondContact N-O 3.23Å; N262-N286 WeakPolarHBondContact CA-OD1 3.16Å; N262-N286 WeakPolarHBondContact CB-OD1 3.43Å; N262-N286 PolarHBondContact N-OD1 3.46Å; N262-N286 PolarHBondContact O-OD1 3.12Å
263	Q	98.1	Very high	95.9	Very high	99 Å²	99	49.2 Å²	49.2	46%	0.463	25%	0.251	S	S	.	.			trans	-109.8	30.2	178.9	-59.5	176.4	39.8	0	0	111.1	L242 T265	L242-Q263 CarbonylContact O-C 3.31Å; L242-Q263 VanDerWaalsContact O-CA 3.27Å; L242-Q263 WeakPolarHBondContact O-CA 3.48Å; L242-Q263 PolarHBondContact O-N 2.99Å; Q263-T265 PolarHBondContact O-N 3.2Å
264	I	98.4	Very high	95.6	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.258	C	S	.	.			trans	-65.8	121.7	-171.3	-61.9	171.6	0	0	0	109.9	L242 T243 P245 F259 N262 I267 L283 N286 Q287 L288	L242-I264 HydrophobicContact CB-CG1 4.43Å; L242-I264 PolarHBondContact O-N 3.01Å; L242-I264 VanDerWaalsContact O-N 3.11Å; T243-I264 VanDerWaalsContact O-CA 3.32Å; T243-I264 WeakPolarHBondContact O-CA 2.99Å; P245-I264 HydrophobicContact CG-CD1 4.33Å; P245-I264 HydrophobicContact CG-CG2 4.47Å; F259-I264 HydrophobicContact CB-CD1 3.7Å; F259-I264 HydrophobicContact CD1-CD1 4.38Å; F259-I264 HydrophobicContact CG-CD1 4.03Å; N262-I264 HydrophobicContact CB-CD1 4.26Å; N262-I264 HydrophobicContact CB-CG1 3.99Å; I264-I267 HydrophobicContact CG2-CG1 4.21Å; I264-L283 HydrophobicContact CD1-CD2 4.32Å; I264-N286 HydrophobicContact CB-CB 4.23Å; I264-N286 VanDerWaalsContact CB-OD1 3.23Å; I264-N286 WeakPolarHBondContact CB-OD1 3.27Å; I264-N286 VanDerWaalsContact CG1-OD1 3.31Å; I264-N286 WeakPolarHBondContact CG1-OD1 3.27Å; I264-N286 PolarHBondContact N-OD1 2.03Å; I264-Q287 CarbonylContact O-C 3.59Å; I264-Q287 WeakPolarHBondContact O-CA 3.41Å; I264-Q287 PolarHBondContact O-N 2.82Å; I264-L288 HydrophobicContact CG2-CD2 3.92Å; I264-L288 PolarHBondContact O-N 2.98Å; I264-L288 VanDerWaalsContact O-N 3.16Å
265	T	97.3	Very high	95.5	Very high	68 Å²	68	49.7 Å²	49.7	42%	0.417	26%	0.258	S	S	.	.			trans	-101.8	-30.2	-179	61.4	0	0	0	0	112.8	T243 Q263 Q287	T243-T265 PolarHBondContact O-N 2.89Å; Q263-T265 PolarHBondContact O-N 3.2Å; T265-Q287 HydrophobicContact CG2-CB 4.11Å
266	K	95.2	Very high	95.3	Very high	154 Å²	154	53.4 Å²	53.4	67%	0.67	27%	0.273	S	S	*	.			trans	-146.1	148.6	-177.5	-64	-179	-176	174.3	0	110.7
267	I	96.3	Very high	95.3	Very high	5 Å²	5	55.9 Å²	55.9	3%	0.026	28%	0.28	C	S	.	.			trans	-118.3	109.8	173.9	-57.2	172.8	0	0	0	107.9	P245 I264 L272 L283 L288 L291 V295	P245-I267 HydrophobicContact CG-CB 4.5Å; P245-I267 HydrophobicContact CG-CG1 4.07Å; P245-I267 HydrophobicContact CG-CG2 4.17Å; I264-I267 HydrophobicContact CG2-CG1 4.21Å; I267-L272 HydrophobicContact CG2-CD1 3.85Å; I267-L272 HydrophobicContact CG2-CG 4.12Å; I267-L283 HydrophobicContact CD1-CD1 3.58Å; I267-L283 HydrophobicContact CD1-CD2 3.92Å; I267-L283 HydrophobicContact CD1-CG 4.41Å; I267-L288 HydrophobicContact CD1-CD1 4.03Å; I267-L288 HydrophobicContact CD1-CD2 4.13Å; I267-L288 HydrophobicContact CG1-CD2 3.94Å; I267-L291 HydrophobicContact CD1-CD2 4.11Å; I267-V295 HydrophobicContact CB-CG2 3.89Å; I267-V295 HydrophobicContact CG2-CG2 3.37Å
268	P	92.8	Very high	95.2	Very high	66 Å²	66	55.8 Å²	55.8	43%	0.429	28%	0.279	S	S	.	.			trans	-63.9	140.4	172.9	-19.7	31.9	0	0	0	111	K270 A271	P268-K270 PolarHBondContact O-N 2.81Å; P268-K270 VanDerWaalsContact O-N 3.17Å; P268-A271 HydrophobicContact CB-CB 4.37Å; P268-A271 VanDerWaalsContact O-CB 3.28Å; P268-A271 WeakPolarHBondContact O-CB 3.42Å; P268-A271 PolarHBondContact O-N 3.37Å
269	V	89.7	Confident	95.2	Very high	62 Å²	62	57.2 Å²	57.2	38%	0.376	29%	0.285	S	S	.	.	H	α-helix	trans	-54.7	-39.3	179.2	179.1	0	0	0	0	111.8	A271 A273 V292	V269-A271 VanDerWaalsContact C-N 3.25Å; V269-A271 PolarHBondContact O-N 3.23Å; V269-A273 PolarHBondContact O-N 3.31Å; V269-V292 HydrophobicContact CG2-CB 4.18Å; V269-V292 HydrophobicContact CG2-CG1 3.68Å
270	K	89.8	Confident	95.2	Very high	190 Å²	190	61.6 Å²	61.6	83%	0.826	30%	0.304	S	S	*	.	H	α-helix	trans	-68.1	-19.8	179.8	-66	-174.5	178.6	-178	0	114	P268 L272	P268-K270 PolarHBondContact O-N 2.81Å; P268-K270 VanDerWaalsContact O-N 3.17Å; K270-L272 VanDerWaalsContact C-N 3.34Å; K270-L272 PolarHBondContact O-N 3.04Å
271	A	91.6	Very high	95.2	Very high	6 Å²	6	59.4 Å²	59.4	5%	0.05	29%	0.294	C	S	.	.	H	α-helix	trans	-68.9	-32.8	-174.3	0	0	0	0	0	112.8	P245 P268 V269	P245-A271 HydrophobicContact CB-CB 4.3Å; P268-A271 HydrophobicContact CB-CB 4.37Å; P268-A271 VanDerWaalsContact O-CB 3.28Å; P268-A271 WeakPolarHBondContact O-CB 3.42Å; P268-A271 PolarHBondContact O-N 3.37Å; V269-A271 VanDerWaalsContact C-N 3.25Å; V269-A271 PolarHBondContact O-N 3.23Å
272	L	93.3	Very high	95.2	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-112	-3.2	-177.7	-56.2	-179.8	0	0	0	113.4	L257 I267 K270 S274 L275 L281 V295 F296 L299	L257-L272 HydrophobicContact CD2-CD2 4.23Å; I267-L272 HydrophobicContact CG2-CD1 3.85Å; I267-L272 HydrophobicContact CG2-CG 4.12Å; K270-L272 VanDerWaalsContact C-N 3.34Å; K270-L272 PolarHBondContact O-N 3.04Å; L272-S274 VanDerWaalsContact C-N 3.33Å; L272-S274 PolarHBondContact O-N 3.3Å; L272-L275 HydrophobicContact CB-CD1 4.41Å; L272-L275 HydrophobicContact CD2-CD1 3.69Å; L272-L275 PolarHBondContact O-N 2.78Å; L272-L281 HydrophobicContact CD1-CD2 3.94Å; L272-V295 HydrophobicContact CD1-CG2 4.5Å; L272-F296 HydrophobicContact CD1-CD1 4.19Å; L272-F296 HydrophobicContact CD1-CE1 4.14Å; L272-L299 HydrophobicContact CB-CD2 4.36Å
273	A	90.7	Very high	95.2	Very high	43 Å²	43	56.3 Å²	56.3	36%	0.355	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-35	-169.3	0	0	0	0	0	114.2	V269 H276	V269-A273 PolarHBondContact O-N 3.31Å; A273-H276 PolarHBondContact O-CE1 3.46Å
274	S	90.3	Very high	95.2	Very high	54 Å²	54	52 Å²	52	38%	0.378	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-4.7	-177.4	53.4	0	0	0	0	114.3	G251 L272 H276	G251-S274 WeakPolarHBondContact CA-O 3.38Å; L272-S274 VanDerWaalsContact C-N 3.33Å; L272-S274 PolarHBondContact O-N 3.3Å; S274-H276 PolarHBondContact O-CD2 3.03Å; S274-H276 PolarHBondContact O-N 3.23Å
275	L	95.3	Very high	95.2	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.276	C	S	.	.			trans	-85.2	56.6	-169.9	-55.3	-177	0	0	0	112.5	L249 L254 L257 L272 R277 L278 L299	L249-L275 HydrophobicContact CB-CD2 4.09Å; L249-L275 HydrophobicContact CD1-CD1 4.42Å; L254-L275 HydrophobicContact CD2-CD1 4.47Å; L254-L275 HydrophobicContact CD2-CD2 3.96Å; L257-L275 HydrophobicContact CD2-CD1 3.7Å; L272-L275 HydrophobicContact CB-CD1 4.41Å; L272-L275 HydrophobicContact CD2-CD1 3.69Å; L272-L275 PolarHBondContact O-N 2.78Å; L275-R277 VanDerWaalsContact C-N 3.28Å; L275-R277 PolarHBondContact O-N 2.79Å; L275-L278 HydrophobicContact CB-CB 4.06Å; L275-L278 HydrophobicContact CB-CD2 4.42Å; L275-L278 HydrophobicContact CD1-CD2 4.13Å; L275-L278 WeakPolarHBondContact O-CB 3.02Å; L275-L278 PolarHBondContact O-N 3.06Å; L275-L299 HydrophobicContact CB-CD2 3.76Å; L275-L299 WeakPolarHBondContact O-CD2 3.44Å
276	H	94.9	Very high	95.3	Very high	111 Å²	111	51.6 Å²	51.6	51%	0.514	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-24.6	-171	-57.1	-49.4	0	0	0	114.6	A273 S274 G298 S301	A273-H276 PolarHBondContact O-CE1 3.46Å; S274-H276 PolarHBondContact O-CD2 3.03Å; S274-H276 PolarHBondContact O-N 3.23Å; H276-G298 PolarHBondContact ND1-O 3.11Å; H276-S301 VanDerWaalsContact O-CB 3.32Å; H276-S301 WeakPolarHBondContact O-CB 3.46Å; H276-S301 PolarHBondContact O-N 2.03Å; H276-S301 PolarHBondContact O-OG 2.8Å
277	R	96.9	Very high	95.4	Very high	136 Å²	136	49.1 Å²	49.1	51%	0.513	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	0.4	179	-65	-157.3	179.2	179.1	-1.8	114.3	E252 M253 L254 L275 E279	E252-R277 WeakPolarHBondContact O-CD 3.41Å; E252-R277 PolarHBondContact O-NE 3.08Å; M253-R277 PolarHBondContact SD-NH1 2.83Å; L254-R277 CarbonylContact O-C 3.57Å; L275-R277 VanDerWaalsContact C-N 3.28Å; L275-R277 PolarHBondContact O-N 2.79Å; R277-E279 PolarHBondContact O-N 3.34Å
278	L	97.8	Very high	95.5	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.246	C	C	.	.			trans	-67	121.5	-176.1	-165.9	74	0	0	0	110.4	L254 L257 L275 L281 L299 S301 L302	L254-L278 HydrophobicContact CD2-CD1 4.26Å; L254-L278 HydrophobicContact CG-CD1 4.18Å; L254-L278 VanDerWaalsContact O-CA 3.31Å; L254-L278 WeakPolarHBondContact O-CA 3.44Å; L254-L278 PolarHBondContact O-N 3.15Å; L254-L278 VanDerWaalsContact O-N 3.16Å; L257-L278 HydrophobicContact CB-CD1 3.62Å; L257-L278 HydrophobicContact CB-CD2 4.29Å; L275-L278 HydrophobicContact CB-CB 4.06Å; L275-L278 HydrophobicContact CB-CD2 4.42Å; L275-L278 HydrophobicContact CD1-CD2 4.13Å; L275-L278 WeakPolarHBondContact O-CB 3.02Å; L275-L278 PolarHBondContact O-N 3.06Å; L278-L281 HydrophobicContact CD2-CB 3.97Å; L278-L281 HydrophobicContact CD2-CD1 4.39Å; L278-L281 HydrophobicContact CD2-CD2 4.41Å; L278-L281 HydrophobicContact CD2-CG 4.49Å; L278-L299 HydrophobicContact CB-CD2 4.23Å; L278-L299 HydrophobicContact CD2-CD2 3.92Å; L278-S301 CarbonylContact O-C 3.09Å; L278-L302 HydrophobicContact CD2-CD1 4.39Å; L278-L302 HydrophobicContact CG-CD1 4.45Å; L278-L302 VanDerWaalsContact O-CA 3.24Å; L278-L302 WeakPolarHBondContact O-CA 3.48Å; L278-L302 PolarHBondContact O-N 3.19Å; L278-L302 VanDerWaalsContact O-N 3.15Å
279	E	97.8	Very high	95.6	Very high	59 Å²	59	50.6 Å²	50.6	28%	0.276	25%	0.248	S	C	.	.			trans	-101.2	-31.4	178.2	-65.2	-164.5	149.3	0	0	112.2	V255 R277 R303 Q304	V255-E279 HydrophobicContact CG1-CB 3.9Å; V255-E279 HydrophobicContact CG1-CG 3.89Å; V255-E279 PolarHBondContact O-N 3.19Å; R277-E279 PolarHBondContact O-N 3.34Å; E279-R303 HydrophobicContact CB-CG 4.37Å; E279-R303 WeakPolarHBondContact O-CA 3.45Å; E279-R303 PolarHBondContact O-N 2.86Å; E279-R303 IonicContact OE1-CZ 3.26Å; E279-R303 IonicContact OE1-NE 3.08Å; E279-R303 PolarHBondContact OE1-NE 3.19Å; E279-R303 IonicContact OE1-NH2 3.94Å; E279-R303 PolarHBondContact OE1-NH2 3.07Å; E279-R303 IonicContact OE2-NE 3.01Å; E279-Q304 PolarHBondContact O-N 3Å
280	K	98.4	Very high	95.8	Very high	93 Å²	93	50.5 Å²	50.5	40%	0.404	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	122.6	-176.7	-56.8	-169.2	178.7	-174.4	0	111.1	V255 K256 L257 Q304	V255-K280 PolarHBondContact O-N 3.49Å; K256-K280 WeakPolarHBondContact CA-O 3.21Å; K256-K280 HydrophobicContact CB-CB 4.5Å; K256-K280 HydrophobicContact CD-CD 4.33Å; K256-K280 HydrophobicContact CG-CB 4.24Å; K256-K280 HydrophobicContact CG-CD 4.36Å; K256-K280 HydrophobicContact CG-CG 4.48Å; L257-K280 PolarHBondContact N-O 2.82Å; K280-Q304 WeakPolarHBondContact CA-O 3.23Å; K280-Q304 HydrophobicContact CG-CB 4.15Å
281	L	98.4	Very high	96	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	123.4	173.4	179.4	56.5	0	0	0	109.9	L257 F259 L272 L278 L283 F296 L299 L302 Q304 L305 T306	L257-L281 HydrophobicContact CB-CD1 4.14Å; L257-L281 HydrophobicContact CD2-CD1 4.18Å; L257-L281 HydrophobicContact CG-CD1 4.14Å; L257-L281 WeakPolarHBondContact O-CA 3.35Å; F259-L281 HydrophobicContact CD2-CD1 4.28Å; L272-L281 HydrophobicContact CD1-CD2 3.94Å; L278-L281 HydrophobicContact CD2-CB 3.97Å; L278-L281 HydrophobicContact CD2-CD1 4.39Å; L278-L281 HydrophobicContact CD2-CD2 4.41Å; L278-L281 HydrophobicContact CD2-CG 4.49Å; L281-L283 HydrophobicContact CD1-CD1 4.47Å; L281-L283 HydrophobicContact CD1-CG 4.2Å; L281-L283 HydrophobicContact CD2-CD1 3.94Å; L281-L283 HydrophobicContact CG-CD1 4.08Å; L281-L283 HydrophobicContact CG-CG 4.18Å; L281-F296 HydrophobicContact CD2-CE1 4.25Å; L281-L299 HydrophobicContact CD2-CD1 4.07Å; L281-L302 HydrophobicContact CB-CD1 4.07Å; L281-Q304 PolarHBondContact N-O 3.33Å; L281-L305 HydrophobicContact CB-CD1 3.99Å; L281-L305 HydrophobicContact CD2-CD1 3.89Å; L281-L305 HydrophobicContact CG-CD1 3.91Å; L281-L305 WeakPolarHBondContact O-CA 3.36Å; L281-T306 PolarHBondContact O-N 2.97Å
282	D	98.4	Very high	96.1	Very high	33 Å²	33	45.5 Å²	45.5	18%	0.176	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	122.4	171.9	-150.4	-42.1	0	0	0	111.2	L257 F259 S284 T306	L257-D282 PolarHBondContact O-N 2.88Å; F259-D282 PolarHBondContact N-O 3.01Å; D282-S284 WeakPolarHBondContact OD1-CB 3.15Å; D282-S284 PolarHBondContact OD1-N 2.98Å; D282-S284 PolarHBondContact OD1-OG 2.98Å; D282-T306 WeakPolarHBondContact OD2-CB 3.48Å; D282-T306 PolarHBondContact OD2-OG1 2.96Å
283	L	98.2	Very high	96.1	Very high	1 Å²	1	50 Å²	50	1%	0.005	26%	0.263	C	S	.	.			trans	-124.6	19.4	178.5	-71.8	161.8	0	0	0	110.5	F259 I264 I267 L281 N286 L288 F296 L305 T306 V307 N310	F259-L283 HydrophobicContact CB-CD2 4.03Å; F259-L283 HydrophobicContact CD2-CD2 3.91Å; F259-L283 HydrophobicContact CG-CD2 4.41Å; I264-L283 HydrophobicContact CD1-CD2 4.32Å; I267-L283 HydrophobicContact CD1-CD1 3.58Å; I267-L283 HydrophobicContact CD1-CD2 3.92Å; I267-L283 HydrophobicContact CD1-CG 4.41Å; L281-L283 HydrophobicContact CD1-CD1 4.47Å; L281-L283 HydrophobicContact CD1-CG 4.2Å; L281-L283 HydrophobicContact CD2-CD1 3.94Å; L281-L283 HydrophobicContact CG-CD1 4.08Å; L281-L283 HydrophobicContact CG-CG 4.18Å; L283-N286 PolarHBondContact O-ND2 2.99Å; L283-N286 VanDerWaalsContact O-ND2 3.07Å; L283-L288 HydrophobicContact CB-CD1 4.34Å; L283-F296 HydrophobicContact CD1-CE1 4.48Å; L283-L305 HydrophobicContact CD1-CD1 4.48Å; L283-T306 PolarHBondContact N-O 3.03Å; L283-V307 HydrophobicContact CB-CG1 4.14Å; L283-V307 HydrophobicContact CD1-CG1 4.34Å; L283-N310 PolarHBondContact O-ND2 3.47Å
284	S	98.1	Very high	96	Very high	7 Å²	7	48.5 Å²	48.5	5%	0.049	25%	0.25	C	S	.	.			trans	-67	155.4	-176.5	-53.4	0	0	0	0	112.3	Q260 E261 D282 N286 T306 R308	Q260-S284 CarbonylContact C-O 3.59Å; Q260-S284 WeakPolarHBondContact CA-O 3.49Å; E261-S284 PolarHBondContact N-O 2.8Å; D282-S284 WeakPolarHBondContact OD1-CB 3.15Å; D282-S284 PolarHBondContact OD1-N 2.98Å; D282-S284 PolarHBondContact OD1-OG 2.98Å; S284-N286 PolarHBondContact O-ND2 3.28Å; S284-T306 WeakPolarHBondContact OG-CG2 3.47Å; S284-R308 CarbonylContact C-O 3.58Å; S284-R308 WeakPolarHBondContact CA-O 3.45Å; S284-R308 PolarHBondContact OG-N 2.8Å
285	N	98.2	Very high	96.2	Very high	58 Å²	58	46 Å²	46	31%	0.31	23%	0.233	S	C	.	.	S	Bend	trans	54.7	55.8	179.1	-51.5	-62	0	0	0	111.8	E261 N262 R308 N309	E261-N285 WeakPolarHBondContact CA-O 3.4Å; E261-N285 HydrophobicContact CB-CB 4.38Å; E261-N285 HydrophobicContact CG-CB 3.66Å; E261-N285 PolarHBondContact N-O 2.96Å; N262-N285 PolarHBondContact N-O 3.23Å; N285-R308 PolarHBondContact N-O 2.84Å; N285-N309 WeakPolarHBondContact CA-O 3.2Å; N285-N309 WeakPolarHBondContact OD1-CB 3.38Å; N285-N309 PolarHBondContact OD1-ND2 3.3Å
286	N	98.6	Very high	96.2	Very high	3 Å²	3	46.4 Å²	46.4	2%	0.016	24%	0.235	C	C	.	.	S	Bend	trans	-126.8	-176.1	176	-86.1	-77.4	0	0	0	109.8	F259 N262 I264 L283 S284 L288 N310 P311	F259-N286 PolarHBondContact O-ND2 3.34Å; N262-N286 WeakPolarHBondContact CA-OD1 3.16Å; N262-N286 WeakPolarHBondContact CB-OD1 3.43Å; N262-N286 PolarHBondContact N-OD1 3.46Å; N262-N286 PolarHBondContact O-OD1 3.12Å; I264-N286 HydrophobicContact CB-CB 4.23Å; I264-N286 VanDerWaalsContact CB-OD1 3.23Å; I264-N286 WeakPolarHBondContact CB-OD1 3.27Å; I264-N286 VanDerWaalsContact CG1-OD1 3.31Å; I264-N286 WeakPolarHBondContact CG1-OD1 3.27Å; I264-N286 PolarHBondContact N-OD1 2.03Å; L283-N286 PolarHBondContact O-ND2 2.99Å; L283-N286 VanDerWaalsContact O-ND2 3.07Å; S284-N286 PolarHBondContact O-ND2 3.28Å; N286-L288 HydrophobicContact CB-CG 4.4Å; N286-N310 VanDerWaalsContact CA-OD1 3.31Å; N286-N310 WeakPolarHBondContact CA-OD1 3.36Å; N286-N310 WeakPolarHBondContact CB-OD1 3.36Å; N286-N310 PolarHBondContact N-OD1 3.37Å; N286-N310 PolarHBondContact O-OD1 3.22Å; N286-N310 VanDerWaalsContact O-OD1 3.07Å; N286-P311 WeakPolarHBondContact O-CD 3.5Å
287	Q	98.1	Very high	96	Very high	101 Å²	101	47 Å²	47	47%	0.472	24%	0.242	S	C	.	.			trans	-106.6	29.5	-177.6	-61.3	-63.8	-19.8	0	0	112.2	I264 T265 Q289	I264-Q287 CarbonylContact O-C 3.59Å; I264-Q287 WeakPolarHBondContact O-CA 3.41Å; I264-Q287 PolarHBondContact O-N 2.82Å; T265-Q287 HydrophobicContact CG2-CB 4.11Å; Q287-Q289 PolarHBondContact O-N 2.9Å
288	L	97.4	Very high	95.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.226	C	C	.	.			trans	-72	123.1	-178.9	-64.2	166	0	0	0	110.6	I264 I267 L283 N286 N310 P311 W312	I264-L288 HydrophobicContact CG2-CD2 3.92Å; I264-L288 PolarHBondContact O-N 2.98Å; I264-L288 VanDerWaalsContact O-N 3.16Å; I267-L288 HydrophobicContact CD1-CD1 4.03Å; I267-L288 HydrophobicContact CD1-CD2 4.13Å; I267-L288 HydrophobicContact CG1-CD2 3.94Å; L283-L288 HydrophobicContact CB-CD1 4.34Å; N286-L288 HydrophobicContact CB-CG 4.4Å; L288-N310 HydrophobicContact CB-CB 4.2Å; L288-N310 VanDerWaalsContact CB-OD1 3.29Å; L288-N310 WeakPolarHBondContact CB-OD1 3.26Å; L288-N310 PolarHBondContact N-OD1 3.04Å; L288-N310 VanDerWaalsContact N-OD1 3.1Å; L288-P311 CarbonylContact O-C 3.59Å; L288-P311 VanDerWaalsContact O-CD 3.31Å; L288-P311 WeakPolarHBondContact O-CD 3.27Å; L288-W312 HydrophobicContact CB-CE3 4.49Å; L288-W312 HydrophobicContact CB-CH2 3.5Å; L288-W312 VanDerWaalsContact CB-CH2 3.5Å; L288-W312 HydrophobicContact CB-CZ2 4.11Å; L288-W312 HydrophobicContact CB-CZ3 3.71Å; L288-W312 HydrophobicContact CD1-CH2 3.86Å; L288-W312 HydrophobicContact CD1-CZ2 4.31Å; L288-W312 HydrophobicContact CG-CH2 4.27Å
289	Q	95.7	Very high	95.3	Very high	103 Å²	103	42 Å²	42	48%	0.481	23%	0.229	S	C	.	.			trans	-102.5	-34.8	174.9	-64.1	-178.6	34.5	0	0	112	Q287 P311 L313	Q287-Q289 PolarHBondContact O-N 2.9Å; Q289-P311 HydrophobicContact CG-CG 4.14Å; Q289-L313 HydrophobicContact CB-CB 4.36Å; Q289-L313 PolarHBondContact O-N 2.87Å
290	S	93.8	Very high	95	Very high	59 Å²	59	42.8 Å²	42.8	41%	0.413	25%	0.253	S	S	.	.			trans	-146.6	163.8	179.4	62.9	0	0	0	0	110.9
291	L	94.9	Very high	94.9	Very high	9 Å²	9	40.8 Å²	40.8	5%	0.047	25%	0.251	C	S	.	.			trans	-121.2	139.8	175.5	-66.7	174.1	0	0	0	109.6	I267 V295 F296 W312 W320 V321 F337	I267-L291 HydrophobicContact CD1-CD2 4.11Å; L291-V295 HydrophobicContact CB-CG1 4.3Å; L291-V295 HydrophobicContact CD2-CG1 4.46Å; L291-F296 HydrophobicContact CD1-CE2 3.63Å; L291-F296 HydrophobicContact CD1-CZ 3.84Å; L291-F296 HydrophobicContact CD2-CZ 4.41Å; L291-W312 HydrophobicContact CD1-CH2 3.92Å; L291-W312 HydrophobicContact CD1-CZ3 4.19Å; L291-W312 HydrophobicContact CD2-CH2 3.9Å; L291-W312 HydrophobicContact CD2-CZ3 4.15Å; L291-W312 HydrophobicContact CG-CH2 3.73Å; L291-W312 HydrophobicContact CG-CZ3 3.67Å; L291-W320 HydrophobicContact CB-CH2 4.29Å; L291-W320 HydrophobicContact CB-CZ2 3.56Å; L291-W320 PolarHBondContact O-NE1 2.94Å; L291-V321 HydrophobicContact CB-CG2 4.43Å; L291-F337 HydrophobicContact CD1-CE1 3.64Å; L291-F337 HydrophobicContact CD1-CZ 3.73Å
292	V	93.3	Very high	94.8	Very high	82 Å²	82	41.6 Å²	41.6	50%	0.497	26%	0.255	S	S	.	.			trans	-74.4	137.7	174	-177.8	0	0	0	0	109.1	V269 G294 V295 W320	V269-V292 HydrophobicContact CG2-CB 4.18Å; V269-V292 HydrophobicContact CG2-CG1 3.68Å; V292-G294 PolarHBondContact O-N 3Å; V292-V295 WeakPolarHBondContact O-CB 3.15Å; V292-V295 WeakPolarHBondContact O-CG1 3.31Å; V292-V295 PolarHBondContact O-N 3.01Å; V292-W320 WeakPolarHBondContact O-CZ2 3.33Å
293	T	92.3	Very high	94.7	Very high	97 Å²	97	47.4 Å²	47.4	60%	0.595	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	131.8	176.9	-48.1	0	0	0	0	111	V295 W320	T293-V295 VanDerWaalsContact C-N 3.34Å; T293-W320 HydrophobicContact CG2-CB 4.32Å; T293-W320 HydrophobicContact CG2-CD2 4.2Å; T293-W320 HydrophobicContact CG2-CE3 4.5Å; T293-W320 HydrophobicContact CG2-CG 4.12Å
294	G	89.6	Confident	94.7	Very high	10 Å²	10	50.6 Å²	50.6	10%	0.103	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.7	8.6	176.9	0	0	0	0	0	115.6	V292 F296 D297	V292-G294 PolarHBondContact O-N 3Å; G294-F296 PolarHBondContact O-N 2.76Å; G294-F296 VanDerWaalsContact O-N 3.09Å; G294-D297 WeakPolarHBondContact CA-OD1 3.03Å; G294-D297 WeakPolarHBondContact CA-OD2 3.42Å; G294-D297 WeakPolarHBondContact O-CB 2.93Å; G294-D297 PolarHBondContact O-N 3.3Å; G294-D297 VanDerWaalsContact O-N 3.14Å
295	V	94.7	Very high	94.7	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.012	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-22.9	179.2	67.9	0	0	0	0	114.1	I267 L272 L291 V292 T293 W320	I267-V295 HydrophobicContact CB-CG2 3.89Å; I267-V295 HydrophobicContact CG2-CG2 3.37Å; L272-V295 HydrophobicContact CD1-CG2 4.5Å; L291-V295 HydrophobicContact CB-CG1 4.3Å; L291-V295 HydrophobicContact CD2-CG1 4.46Å; V292-V295 WeakPolarHBondContact O-CB 3.15Å; V292-V295 WeakPolarHBondContact O-CG1 3.31Å; V292-V295 PolarHBondContact O-N 3.01Å; T293-V295 VanDerWaalsContact C-N 3.34Å; V295-W320 HydrophobicContact CG1-CH2 4.05Å; V295-W320 HydrophobicContact CG1-CZ2 4.39Å
296	F	94.3	Very high	94.7	Very high	9 Å²	9	47.7 Å²	47.7	4%	0.039	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	3.7	-179.9	-55.6	-51.4	0	0	0	114	L272 L281 L283 L291 G294 G298 L299 L305 W320 W324 F337	L272-F296 HydrophobicContact CD1-CD1 4.19Å; L272-F296 HydrophobicContact CD1-CE1 4.14Å; L281-F296 HydrophobicContact CD2-CE1 4.25Å; L283-F296 HydrophobicContact CD1-CE1 4.48Å; L291-F296 HydrophobicContact CD1-CE2 3.63Å; L291-F296 HydrophobicContact CD1-CZ 3.84Å; L291-F296 HydrophobicContact CD2-CZ 4.41Å; G294-F296 PolarHBondContact O-N 2.76Å; G294-F296 VanDerWaalsContact O-N 3.09Å; F296-G298 PolarHBondContact O-N 3.01Å; F296-L299 HydrophobicContact CB-CD1 4.14Å; F296-L299 HydrophobicContact CD1-CD1 3.74Å; F296-L299 HydrophobicContact CG-CD1 4.36Å; F296-L299 WeakPolarHBondContact O-CB 3.23Å; F296-L299 PolarHBondContact O-N 2.77Å; F296-L305 HydrophobicContact CE2-CD2 4.1Å; F296-L305 HydrophobicContact CZ-CD2 4.14Å; F296-W320 HydrophobicContact CD2-CH2 4.49Å; F296-W324 HydrophobicContact CB-CZ2 4.15Å; F296-W324 AromaticContact CD2-CH2 3.74Å; F296-W324 HydrophobicContact CD2-CH2 3.74Å; F296-W324 AromaticContact CD2-CZ2 3.77Å; F296-W324 HydrophobicContact CD2-CZ2 3.77Å; F296-W324 HydrophobicContact CD2-CZ3 4.26Å; F296-W324 HydrophobicContact CE2-CH2 4.16Å; F296-W324 HydrophobicContact CE2-CZ3 4.41Å; F296-W324 HydrophobicContact CG-CZ2 4.31Å; F296-F337 HydrophobicContact CE2-CZ 4.43Å
297	D	91	Very high	94.6	Very high	124 Å²	124	47.6 Å²	47.6	66%	0.663	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-28	-171.4	-69.5	-6.2	0	0	0	113	G294 L299	G294-D297 WeakPolarHBondContact CA-OD1 3.03Å; G294-D297 WeakPolarHBondContact CA-OD2 3.42Å; G294-D297 WeakPolarHBondContact O-CB 2.93Å; G294-D297 PolarHBondContact O-N 3.3Å; G294-D297 VanDerWaalsContact O-N 3.14Å; D297-L299 VanDerWaalsContact C-N 3.31Å; D297-L299 PolarHBondContact O-N 3.06Å
298	G	86.9	Confident	94.4	Very high	17 Å²	17	47.5 Å²	47.5	18%	0.175	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-13.1	177	0	0	0	0	0	115.1	H276 F296 G300	H276-G298 PolarHBondContact ND1-O 3.11Å; F296-G298 PolarHBondContact O-N 3.01Å; G298-G300 VanDerWaalsContact C-N 3.33Å; G298-G300 PolarHBondContact O-N 3.18Å
299	L	94.3	Very high	94.4	Very high	12 Å²	12	53.1 Å²	53.1	6%	0.063	30%	0.298	C	S	.	.			trans	-88.2	59.5	-169.5	-55	-177.6	0	0	0	112.7	L272 L275 L278 L281 F296 D297 S301 L302	L272-L299 HydrophobicContact CB-CD2 4.36Å; L275-L299 HydrophobicContact CB-CD2 3.76Å; L275-L299 WeakPolarHBondContact O-CD2 3.44Å; L278-L299 HydrophobicContact CB-CD2 4.23Å; L278-L299 HydrophobicContact CD2-CD2 3.92Å; L281-L299 HydrophobicContact CD2-CD1 4.07Å; F296-L299 HydrophobicContact CB-CD1 4.14Å; F296-L299 HydrophobicContact CD1-CD1 3.74Å; F296-L299 HydrophobicContact CG-CD1 4.36Å; F296-L299 WeakPolarHBondContact O-CB 3.23Å; F296-L299 PolarHBondContact O-N 2.77Å; D297-L299 VanDerWaalsContact C-N 3.31Å; D297-L299 PolarHBondContact O-N 3.06Å; L299-S301 VanDerWaalsContact C-N 3.27Å; L299-S301 PolarHBondContact O-N 3.14Å; L299-L302 HydrophobicContact CB-CB 4.1Å; L299-L302 HydrophobicContact CB-CD2 4.29Å; L299-L302 HydrophobicContact CD1-CD1 4.38Å; L299-L302 HydrophobicContact CD1-CD2 3.95Å; L299-L302 WeakPolarHBondContact O-CB 3.41Å; L299-L302 PolarHBondContact O-N 3Å
300	G	91.6	Very high	94.5	Very high	76 Å²	76	48.7 Å²	48.7	78%	0.784	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-23.8	-173.6	0	0	0	0	0	115.9	G298	G298-G300 VanDerWaalsContact C-N 3.33Å; G298-G300 PolarHBondContact O-N 3.18Å
301	S	95.8	Very high	94.6	Very high	52 Å²	52	47.1 Å²	47.1	36%	0.364	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	7.1	-178.9	-54.4	0	0	0	0	113.9	H276 L278 L299 R303	H276-S301 VanDerWaalsContact O-CB 3.32Å; H276-S301 WeakPolarHBondContact O-CB 3.46Å; H276-S301 PolarHBondContact O-N 2.03Å; H276-S301 PolarHBondContact O-OG 2.8Å; L278-S301 CarbonylContact O-C 3.09Å; L299-S301 VanDerWaalsContact C-N 3.27Å; L299-S301 PolarHBondContact O-N 3.14Å; S301-R303 PolarHBondContact O-N 2.94Å
302	L	96.5	Very high	94.7	Very high	19 Å²	19	46.8 Å²	46.8	10%	0.099	27%	0.265	C	S	.	.			trans	-64.6	129.9	-171.1	-160.5	68.7	0	0	0	111.4	L278 L281 L299 L305 L332	L278-L302 HydrophobicContact CD2-CD1 4.39Å; L278-L302 HydrophobicContact CG-CD1 4.45Å; L278-L302 VanDerWaalsContact O-CA 3.24Å; L278-L302 WeakPolarHBondContact O-CA 3.48Å; L278-L302 PolarHBondContact O-N 3.19Å; L278-L302 VanDerWaalsContact O-N 3.15Å; L281-L302 HydrophobicContact CB-CD1 4.07Å; L299-L302 HydrophobicContact CB-CB 4.1Å; L299-L302 HydrophobicContact CB-CD2 4.29Å; L299-L302 HydrophobicContact CD1-CD1 4.38Å; L299-L302 HydrophobicContact CD1-CD2 3.95Å; L299-L302 WeakPolarHBondContact O-CB 3.41Å; L299-L302 PolarHBondContact O-N 3Å; L302-L305 HydrophobicContact CD2-CB 4.08Å; L302-L332 HydrophobicContact CB-CD1 4.18Å; L302-L332 HydrophobicContact CD2-CD1 4.05Å; L302-L332 HydrophobicContact CG-CD1 3.86Å
303	R	96.4	Very high	94.7	Very high	155 Å²	155	45.2 Å²	45.2	59%	0.585	25%	0.253	S	S	*	.			trans	-116.5	-28.3	177.7	-60.2	-179.1	-174.3	-116.3	2.1	112.3	E279 S301 N333	E279-R303 HydrophobicContact CB-CG 4.37Å; E279-R303 WeakPolarHBondContact O-CA 3.45Å; E279-R303 PolarHBondContact O-N 2.86Å; E279-R303 IonicContact OE1-CZ 3.26Å; E279-R303 IonicContact OE1-NE 3.08Å; E279-R303 PolarHBondContact OE1-NE 3.19Å; E279-R303 IonicContact OE1-NH2 3.94Å; E279-R303 PolarHBondContact OE1-NH2 3.07Å; E279-R303 IonicContact OE2-NE 3.01Å; S301-R303 PolarHBondContact O-N 2.94Å; R303-N333 PolarHBondContact O-N 3.19Å
304	Q	97.6	Very high	94.7	Very high	68 Å²	68	40.7 Å²	40.7	32%	0.318	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	123.2	-178.1	-172.7	179.7	-22	0	0	110.7	E279 K280 L281 N333	E279-Q304 PolarHBondContact O-N 3Å; K280-Q304 WeakPolarHBondContact CA-O 3.23Å; K280-Q304 HydrophobicContact CG-CB 4.15Å; L281-Q304 PolarHBondContact N-O 3.33Å; Q304-N333 WeakPolarHBondContact CA-O 3.42Å
305	L	97.6	Very high	94.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	119.2	171.1	177.2	61.6	0	0	0	109.4	L281 L283 F296 L302 V307 W324 N333 V334 R335 F337	L281-L305 HydrophobicContact CB-CD1 3.99Å; L281-L305 HydrophobicContact CD2-CD1 3.89Å; L281-L305 HydrophobicContact CG-CD1 3.91Å; L281-L305 WeakPolarHBondContact O-CA 3.36Å; L283-L305 HydrophobicContact CD1-CD1 4.48Å; F296-L305 HydrophobicContact CE2-CD2 4.1Å; F296-L305 HydrophobicContact CZ-CD2 4.14Å; L302-L305 HydrophobicContact CD2-CB 4.08Å; L305-V307 HydrophobicContact CD1-CG1 4.04Å; L305-V307 HydrophobicContact CG-CG1 4.16Å; L305-W324 HydrophobicContact CD2-CH2 3.73Å; L305-W324 HydrophobicContact CD2-CZ3 4.38Å; L305-N333 PolarHBondContact N-O 2.86Å; L305-V334 HydrophobicContact CB-CG1 4.33Å; L305-V334 HydrophobicContact CB-CG2 4.24Å; L305-V334 HydrophobicContact CD2-CG1 4.08Å; L305-V334 HydrophobicContact CG-CG1 4.33Å; L305-V334 WeakPolarHBondContact O-CA 3.38Å; L305-R335 PolarHBondContact O-N 3.37Å; L305-F337 HydrophobicContact CD2-CE2 4.19Å
306	T	97.5	Very high	94.2	Very high	4 Å²	4	46 Å²	46	3%	0.025	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	128.5	173.8	-38.7	0	0	0	0	110.3	L281 D282 L283 S284 R308	L281-T306 PolarHBondContact O-N 2.97Å; D282-T306 WeakPolarHBondContact OD2-CB 3.48Å; D282-T306 PolarHBondContact OD2-OG1 2.96Å; L283-T306 PolarHBondContact N-O 3.03Å; S284-T306 WeakPolarHBondContact OG-CG2 3.47Å; T306-R308 HydrophobicContact CG2-CB 4.45Å; T306-R308 HydrophobicContact CG2-CG 3.91Å
307	V	97.1	Very high	93.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.272	C	S	.	.			trans	-135.3	31.2	180	-67.3	0	0	0	0	112	L283 L305 N310 W312 R335 F337	L283-V307 HydrophobicContact CB-CG1 4.14Å; L283-V307 HydrophobicContact CD1-CG1 4.34Å; L305-V307 HydrophobicContact CD1-CG1 4.04Å; L305-V307 HydrophobicContact CG-CG1 4.16Å; V307-N310 PolarHBondContact O-ND2 2.72Å; V307-N310 VanDerWaalsContact O-ND2 3.14Å; V307-W312 HydrophobicContact CB-CZ2 3.91Å; V307-W312 HydrophobicContact CG1-CZ2 4.37Å; V307-W312 HydrophobicContact CG2-CZ2 4.22Å; V307-W312 PolarHBondContact O-NE1 3.32Å; V307-R335 VanDerWaalsContact CG2-O 3.31Å; V307-R335 WeakPolarHBondContact CG2-O 3.14Å; V307-R335 PolarHBondContact N-O 3.19Å; V307-F337 HydrophobicContact CG1-CZ 4.29Å; V307-F337 HydrophobicContact CG2-CD1 3.97Å; V307-F337 HydrophobicContact CG2-CD2 3.62Å; V307-F337 HydrophobicContact CG2-CE1 4Å; V307-F337 HydrophobicContact CG2-CE2 3.63Å; V307-F337 HydrophobicContact CG2-CG 3.79Å; V307-F337 HydrophobicContact CG2-CZ 3.84Å
308	R	95.3	Very high	93.8	Very high	100 Å²	100	41.5 Å²	41.5	38%	0.377	24%	0.241	S	C	.	.			trans	-64.6	157.1	-175.3	-69.6	-176.3	179.7	106	-16.6	111.2	S284 N285 T306 N310	S284-R308 CarbonylContact C-O 3.58Å; S284-R308 WeakPolarHBondContact CA-O 3.45Å; S284-R308 PolarHBondContact OG-N 2.8Å; N285-R308 PolarHBondContact N-O 2.84Å; T306-R308 HydrophobicContact CG2-CB 4.45Å; T306-R308 HydrophobicContact CG2-CG 3.91Å; R308-N310 VanDerWaalsContact C-N 3.32Å; R308-N310 PolarHBondContact O-N 2.92Å; R308-N310 PolarHBondContact O-ND2 2.73Å
309	N	96.2	Very high	93.9	Very high	117 Å²	117	44.4 Å²	44.4	63%	0.626	25%	0.249	S	C	*	.	S	Bend	trans	53.4	48.7	173.5	-56.1	-16.6	0	0	0	112.7	N285	N285-N309 WeakPolarHBondContact CA-O 3.2Å; N285-N309 WeakPolarHBondContact OD1-CB 3.38Å; N285-N309 PolarHBondContact OD1-ND2 3.3Å
310	N	97.6	Very high	93.7	Very high	10 Å²	10	45.6 Å²	45.6	5%	0.053	25%	0.253	C	S	.	.			trans	-116.9	141.5	168.9	-82.6	-81.5	0	0	0	108.9	L283 N286 L288 V307 R308 W312	L283-N310 PolarHBondContact O-ND2 3.47Å; N286-N310 VanDerWaalsContact CA-OD1 3.31Å; N286-N310 WeakPolarHBondContact CA-OD1 3.36Å; N286-N310 WeakPolarHBondContact CB-OD1 3.36Å; N286-N310 PolarHBondContact N-OD1 3.37Å; N286-N310 PolarHBondContact O-OD1 3.22Å; N286-N310 VanDerWaalsContact O-OD1 3.07Å; L288-N310 HydrophobicContact CB-CB 4.2Å; L288-N310 VanDerWaalsContact CB-OD1 3.29Å; L288-N310 WeakPolarHBondContact CB-OD1 3.26Å; L288-N310 PolarHBondContact N-OD1 3.04Å; L288-N310 VanDerWaalsContact N-OD1 3.1Å; V307-N310 PolarHBondContact O-ND2 2.72Å; V307-N310 VanDerWaalsContact O-ND2 3.14Å; R308-N310 VanDerWaalsContact C-N 3.32Å; R308-N310 PolarHBondContact O-N 2.92Å; R308-N310 PolarHBondContact O-ND2 2.73Å; N310-W312 HydrophobicContact CB-CD2 4.23Å; N310-W312 HydrophobicContact CB-CG 4.49Å; N310-W312 HydrophobicContact CB-CZ2 3.81Å; N310-W312 PolarHBondContact O-N 2.66Å
311	P	96.9	Very high	93.8	Very high	27 Å²	27	42 Å²	42	18%	0.175	22%	0.216	C	C	.	.			trans	-78.1	59.5	-177.2	33.7	-37.6	0	0	0	112.6	N286 L288 Q289 L313 H340	N286-P311 WeakPolarHBondContact O-CD 3.5Å; L288-P311 CarbonylContact O-C 3.59Å; L288-P311 VanDerWaalsContact O-CD 3.31Å; L288-P311 WeakPolarHBondContact O-CD 3.27Å; Q289-P311 HydrophobicContact CG-CG 4.14Å; P311-L313 PolarHBondContact O-N 3.23Å; P311-H340 HydrophobicContact CB-CB 4.45Å
312	W	96.1	Very high	93.6	Very high	1 Å²	1	39.8 Å²	39.8	0%	0.004	20%	0.2	C	C	.	.			trans	-55.9	122.9	-176.2	-63.9	113.5	0	0	0	112.8	L288 L291 V307 N310 M318 G336 F337 M338 H340 K341 I350	L288-W312 HydrophobicContact CB-CE3 4.49Å; L288-W312 HydrophobicContact CB-CH2 3.5Å; L288-W312 VanDerWaalsContact CB-CH2 3.5Å; L288-W312 HydrophobicContact CB-CZ2 4.11Å; L288-W312 HydrophobicContact CB-CZ3 3.71Å; L288-W312 HydrophobicContact CD1-CH2 3.86Å; L288-W312 HydrophobicContact CD1-CZ2 4.31Å; L288-W312 HydrophobicContact CG-CH2 4.27Å; L291-W312 HydrophobicContact CD1-CH2 3.92Å; L291-W312 HydrophobicContact CD1-CZ3 4.19Å; L291-W312 HydrophobicContact CD2-CH2 3.9Å; L291-W312 HydrophobicContact CD2-CZ3 4.15Å; L291-W312 HydrophobicContact CG-CH2 3.73Å; L291-W312 HydrophobicContact CG-CZ3 3.67Å; V307-W312 HydrophobicContact CB-CZ2 3.91Å; V307-W312 HydrophobicContact CG1-CZ2 4.37Å; V307-W312 HydrophobicContact CG2-CZ2 4.22Å; V307-W312 PolarHBondContact O-NE1 3.32Å; N310-W312 HydrophobicContact CB-CD2 4.23Å; N310-W312 HydrophobicContact CB-CG 4.49Å; N310-W312 HydrophobicContact CB-CZ2 3.81Å; N310-W312 PolarHBondContact O-N 2.66Å; W312-M318 HydrophobicContact CE3-CE 3.9Å; W312-G336 PolarHBondContact NE1-O 3.39Å; W312-F337 HydrophobicContact CD2-CD1 4.39Å; W312-F337 AromaticContact CE2-CD1 3.99Å; W312-F337 HydrophobicContact CH2-CE1 4.13Å; W312-F337 HydrophobicContact CZ2-CD1 4.22Å; W312-F337 AromaticContact CZ2-CE1 3.88Å; W312-F337 HydrophobicContact CZ2-CE1 3.88Å; W312-M338 VanDerWaalsContact CD1-O 3.29Å; W312-H340 PolarHBondContact O-N 2.68Å; W312-K341 PolarHBondContact O-N 2.71Å; W312-K341 VanDerWaalsContact O-N 3.07Å; W312-I350 HydrophobicContact CB-CD1 4.12Å; W312-I350 HydrophobicContact CG-CD1 4.2Å
313	L	94.3	Very high	93.4	Very high	49 Å²	49	41.8 Å²	41.8	26%	0.257	22%	0.215	S	C	.	.	B	Isolated β-bridge	trans	-91	106.9	171.5	-178.1	65.3	0	0	0	108.8	Q289 P311 D315 M318 K341	Q289-L313 HydrophobicContact CB-CB 4.36Å; Q289-L313 PolarHBondContact O-N 2.87Å; P311-L313 PolarHBondContact O-N 3.23Å; L313-D315 VanDerWaalsContact C-N 3.31Å; L313-D315 HydrophobicContact CG-CB 4.29Å; L313-D315 PolarHBondContact O-N 2.92Å; L313-D315 VanDerWaalsContact O-N 3.09Å; L313-M318 WeakPolarHBondContact O-CE 3.21Å; L313-K341 HydrophobicContact CD1-CB 3.58Å
314	C	91.7	Very high	93.2	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.02	20%	0.195	C	C	.	.			trans	-86.3	73.7	179.4	-67.8	0	0	0	0	110.8	C339 K341 L353	C314-C339 HydrophobicContact CB-CB 3.88Å; C314-C339 WeakPolarHBondContact CB-SG 3.38Å; C314-C339 WeakPolarHBondContact SG-CA 3.45Å; C314-C339 WeakPolarHBondContact SG-CB 3.41Å; C314-C339 CovalentContact SG-SG 2.02Å; C314-C339 PolarHBondContact SG-SG 3.35Å; C314-K341 PolarHBondContact N-O 3.1Å; C314-L353 HydrophobicContact CB-CD1 4.33Å
315	D	88.9	Confident	93	Very high	68 Å²	68	33.4 Å²	33.4	36%	0.364	18%	0.181	S	C	.	.	S	Bend	trans	-109.8	-165.3	171.8	71	5.6	0	0	0	111.1	L313 G317 M318 V358	L313-D315 VanDerWaalsContact C-N 3.31Å; L313-D315 HydrophobicContact CG-CB 4.29Å; L313-D315 PolarHBondContact O-N 2.92Å; L313-D315 VanDerWaalsContact O-N 3.09Å; D315-G317 PolarHBondContact O-N 3.46Å; D315-G317 WeakPolarHBondContact OD1-CA 3.28Å; D315-G317 PolarHBondContact OD1-N 3.01Å; D315-M318 WeakPolarHBondContact O-CB 3.24Å; D315-M318 PolarHBondContact O-N 3.26Å; D315-V358 VanDerWaalsContact O-CG1 3.23Å; D315-V358 WeakPolarHBondContact O-CG1 3.24Å
316	C	85.6	Confident	92.7	Very high	55 Å²	55	38.6 Å²	38.6	37%	0.372	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-59.8	-28.8	178	-77	0	0	0	0	115.6	M318 H319 H359 C360	C316-M318 PolarHBondContact O-N 2.97Å; C316-H319 WeakPolarHBondContact O-CB 3.45Å; C316-H319 PolarHBondContact O-N 3.21Å; C316-H359 PolarHBondContact SG-O 3.29Å; C316-C360 WeakPolarHBondContact CA-SG 3.42Å; C316-C360 HydrophobicContact CB-CB 3.9Å; C316-C360 WeakPolarHBondContact CB-SG 3.38Å; C316-C360 WeakPolarHBondContact SG-CA 3.19Å; C316-C360 WeakPolarHBondContact SG-CB 3.49Å; C316-C360 CovalentContact SG-SG 2.03Å; C316-C360 PolarHBondContact SG-SG 2.75Å
317	G	86.4	Confident	92.5	Very high	37 Å²	37	42.8 Å²	42.8	38%	0.381	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-64.2	-21	174.6	0	0	0	0	0	112.4	D315 W320	D315-G317 PolarHBondContact O-N 3.46Å; D315-G317 WeakPolarHBondContact OD1-CA 3.28Å; D315-G317 PolarHBondContact OD1-N 3.01Å; G317-W320 PolarHBondContact O-NE1 3.29Å
318	M	89.8	Confident	92.3	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.01	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-86.7	-8.8	-179.2	-154.9	59.4	64.3	0	0	113.7	W312 L313 D315 C316 W320 V321 V322 I350	W312-M318 HydrophobicContact CE3-CE 3.9Å; L313-M318 WeakPolarHBondContact O-CE 3.21Å; D315-M318 WeakPolarHBondContact O-CB 3.24Å; D315-M318 PolarHBondContact O-N 3.26Å; C316-M318 PolarHBondContact O-N 2.97Å; M318-W320 VanDerWaalsContact C-N 3.28Å; M318-W320 PolarHBondContact O-N 3.15Å; M318-V321 HydrophobicContact CG-CB 4.19Å; M318-V321 WeakPolarHBondContact O-CB 3.37Å; M318-V321 PolarHBondContact O-N 3.4Å; M318-V321 HydrophobicContact SD-CB 3.65Å; M318-V321 HydrophobicContact SD-CG1 4.03Å; M318-V321 HydrophobicContact SD-CG2 3.5Å; M318-V321 WeakPolarHBondContact SD-CG2 3.47Å; M318-V322 PolarHBondContact O-N 3.32Å; M318-V322 VanDerWaalsContact O-N 3.14Å; M318-I350 HydrophobicContact CG-CD1 4.04Å; M318-I350 HydrophobicContact CG-CG2 3.87Å; M318-I350 HydrophobicContact SD-CD1 4.1Å
319	H	87.9	Confident	92.1	Very high	77 Å²	77	43.3 Å²	43.3	36%	0.356	25%	0.248	S	C	.	.	H	α-helix	trans	-56.9	-39.5	-176.4	177.2	-92.2	0	0	0	113.1	C316 V321 V322 S323	C316-H319 WeakPolarHBondContact O-CB 3.45Å; C316-H319 PolarHBondContact O-N 3.21Å; H319-V321 VanDerWaalsContact C-N 3.33Å; H319-V321 PolarHBondContact O-N 2.8Å; H319-V322 PolarHBondContact O-N 3.42Å; H319-S323 PolarHBondContact O-N 3.33Å; H319-S323 VanDerWaalsContact O-N 3.16Å; H319-S323 PolarHBondContact O-OG 3.14Å
320	W	91.3	Very high	91.8	Very high	38 Å²	38	43.1 Å²	43.1	14%	0.144	26%	0.262	C	S	.	.	H	α-helix	trans	-67.4	-35.1	177.7	78.3	-95.5	0	0	0	111.6	L291 V292 T293 V295 F296 G317 M318 V322 S323 W324	L291-W320 HydrophobicContact CB-CH2 4.29Å; L291-W320 HydrophobicContact CB-CZ2 3.56Å; L291-W320 PolarHBondContact O-NE1 2.94Å; V292-W320 WeakPolarHBondContact O-CZ2 3.33Å; T293-W320 HydrophobicContact CG2-CB 4.32Å; T293-W320 HydrophobicContact CG2-CD2 4.2Å; T293-W320 HydrophobicContact CG2-CE3 4.5Å; T293-W320 HydrophobicContact CG2-CG 4.12Å; V295-W320 HydrophobicContact CG1-CH2 4.05Å; V295-W320 HydrophobicContact CG1-CZ2 4.39Å; F296-W320 HydrophobicContact CD2-CH2 4.49Å; G317-W320 PolarHBondContact O-NE1 3.29Å; M318-W320 VanDerWaalsContact C-N 3.28Å; M318-W320 PolarHBondContact O-N 3.15Å; W320-V322 VanDerWaalsContact C-N 3.34Å; W320-S323 PolarHBondContact O-N 2.9Å; W320-W324 HydrophobicContact CE3-CB 4.04Å; W320-W324 HydrophobicContact CE3-CG 4.49Å; W320-W324 HydrophobicContact CZ3-CB 4.13Å; W320-W324 HydrophobicContact CZ3-CD2 4.41Å; W320-W324 HydrophobicContact CZ3-CG 4.11Å; W320-W324 WeakPolarHBondContact O-CB 3.38Å; W320-W324 PolarHBondContact O-N 3.44Å
321	V	93.3	Very high	91.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-65.6	-39.9	177.4	-178.6	0	0	0	0	110.4	L291 M318 H319 W324 L325 F337 I350	L291-V321 HydrophobicContact CB-CG2 4.43Å; M318-V321 HydrophobicContact CG-CB 4.19Å; M318-V321 WeakPolarHBondContact O-CB 3.37Å; M318-V321 PolarHBondContact O-N 3.4Å; M318-V321 HydrophobicContact SD-CB 3.65Å; M318-V321 HydrophobicContact SD-CG1 4.03Å; M318-V321 HydrophobicContact SD-CG2 3.5Å; M318-V321 WeakPolarHBondContact SD-CG2 3.47Å; H319-V321 VanDerWaalsContact C-N 3.33Å; H319-V321 PolarHBondContact O-N 2.8Å; V321-W324 HydrophobicContact CG1-CE3 4.46Å; V321-W324 PolarHBondContact O-N 3.17Å; V321-L325 HydrophobicContact CG1-CD1 3.94Å; V321-L325 HydrophobicContact CG1-CG 4.18Å; V321-L325 WeakPolarHBondContact O-CB 3.34Å; V321-L325 VanDerWaalsContact O-CG 3.24Å; V321-L325 WeakPolarHBondContact O-CG 3.27Å; V321-L325 PolarHBondContact O-N 3.37Å; V321-F337 HydrophobicContact CG1-CD1 4.15Å; V321-F337 HydrophobicContact CG1-CE1 3.93Å; V321-F337 HydrophobicContact CG1-CZ 4.24Å; V321-I350 HydrophobicContact CG1-CG2 4.3Å
322	V	91.8	Very high	91.3	Very high	6 Å²	6	47 Å²	47	4%	0.036	29%	0.29	C	S	.	.	H	α-helix	trans	-58.9	-49.2	173.8	-179.6	0	0	0	0	110.7	M318 H319 W320 K326 I350 L353	M318-V322 PolarHBondContact O-N 3.32Å; M318-V322 VanDerWaalsContact O-N 3.14Å; H319-V322 PolarHBondContact O-N 3.42Å; W320-V322 VanDerWaalsContact C-N 3.34Å; V322-K326 HydrophobicContact CG1-CD 4.34Å; V322-K326 WeakPolarHBondContact O-CG 3.41Å; V322-K326 PolarHBondContact O-N 3.24Å; V322-I350 HydrophobicContact CG2-CG2 3.7Å; V322-I350 WeakPolarHBondContact CG2-O 3.48Å; V322-L353 HydrophobicContact CG2-CB 4.37Å
323	S	91.3	Very high	91.1	Very high	60 Å²	60	50.3 Å²	50.3	42%	0.42	31%	0.307	S	S	.	.	H	α-helix	trans	-62.8	-44.5	178.8	-60.7	0	0	0	0	111.5	H319 W320 K326 S327	H319-S323 PolarHBondContact O-N 3.33Å; H319-S323 VanDerWaalsContact O-N 3.16Å; H319-S323 PolarHBondContact O-OG 3.14Å; W320-S323 PolarHBondContact O-N 2.9Å; S323-K326 PolarHBondContact O-N 3.34Å; S323-S327 PolarHBondContact O-N 2.77Å; S323-S327 PolarHBondContact O-OG 3.27Å
324	W	93.3	Very high	91.2	Very high	39 Å²	39	49.6 Å²	49.6	15%	0.148	31%	0.305	C	S	.	.	H	α-helix	trans	-60.4	-51.5	178.2	175.7	78.4	0	0	0	111.5	F296 L305 W320 V321 K326 S327 L328 F337	F296-W324 HydrophobicContact CB-CZ2 4.15Å; F296-W324 AromaticContact CD2-CH2 3.74Å; F296-W324 HydrophobicContact CD2-CH2 3.74Å; F296-W324 AromaticContact CD2-CZ2 3.77Å; F296-W324 HydrophobicContact CD2-CZ2 3.77Å; F296-W324 HydrophobicContact CD2-CZ3 4.26Å; F296-W324 HydrophobicContact CE2-CH2 4.16Å; F296-W324 HydrophobicContact CE2-CZ3 4.41Å; F296-W324 HydrophobicContact CG-CZ2 4.31Å; L305-W324 HydrophobicContact CD2-CH2 3.73Å; L305-W324 HydrophobicContact CD2-CZ3 4.38Å; W320-W324 HydrophobicContact CE3-CB 4.04Å; W320-W324 HydrophobicContact CE3-CG 4.49Å; W320-W324 HydrophobicContact CZ3-CB 4.13Å; W320-W324 HydrophobicContact CZ3-CD2 4.41Å; W320-W324 HydrophobicContact CZ3-CG 4.11Å; W320-W324 WeakPolarHBondContact O-CB 3.38Å; W320-W324 PolarHBondContact O-N 3.44Å; V321-W324 HydrophobicContact CG1-CE3 4.46Å; V321-W324 PolarHBondContact O-N 3.17Å; W324-K326 PolarHBondContact O-N 2.78Å; W324-S327 WeakPolarHBondContact CA-OG 3.39Å; W324-S327 PolarHBondContact O-N 3.31Å; W324-S327 PolarHBondContact O-OG 3.32Å; W324-L328 HydrophobicContact CD2-CD1 4.39Å; W324-L328 HydrophobicContact CD2-CD2 4.13Å; W324-L328 HydrophobicContact CD2-CG 4.36Å; W324-L328 HydrophobicContact CE3-CD1 4.22Å; W324-L328 HydrophobicContact CH2-CD1 3.86Å; W324-L328 HydrophobicContact CH2-CD2 4.42Å; W324-L328 HydrophobicContact CZ2-CD1 4.06Å; W324-L328 HydrophobicContact CZ2-CD2 3.75Å; W324-L328 HydrophobicContact CZ2-CG 4.4Å; W324-L328 HydrophobicContact CZ3-CD1 3.96Å; W324-L328 WeakPolarHBondContact O-CG 3.48Å; W324-L328 PolarHBondContact O-N 3.08Å; W324-L328 VanDerWaalsContact O-N 3.12Å; W324-F337 AromaticContact CZ3-CE2 4Å; W324-F337 HydrophobicContact CZ3-CE2 4Å; W324-F337 HydrophobicContact CZ3-CZ 4.37Å
325	L	93.4	Very high	91.2	Very high	8 Å²	8	55.6 Å²	55.6	4%	0.042	33%	0.327	C	S	.	.	H	α-helix	trans	-58.4	-31.6	177.6	-73.8	172.7	0	0	0	113	V321 L328 V334 F337 I350 R351	V321-L325 HydrophobicContact CG1-CD1 3.94Å; V321-L325 HydrophobicContact CG1-CG 4.18Å; V321-L325 WeakPolarHBondContact O-CB 3.34Å; V321-L325 VanDerWaalsContact O-CG 3.24Å; V321-L325 WeakPolarHBondContact O-CG 3.27Å; V321-L325 PolarHBondContact O-N 3.37Å; L325-L328 HydrophobicContact CD2-CD1 3.97Å; L325-V334 HydrophobicContact CD2-CB 4.3Å; L325-V334 HydrophobicContact CD2-CG1 3.88Å; L325-F337 HydrophobicContact CD1-CB 4.1Å; L325-F337 HydrophobicContact CD1-CD2 4.06Å; L325-F337 HydrophobicContact CD1-CG 4.12Å; L325-F337 HydrophobicContact CD2-CD2 3.86Å; L325-F337 HydrophobicContact CD2-CE2 4.14Å; L325-F337 HydrophobicContact CG-CD2 4.49Å; L325-I350 HydrophobicContact CD1-CB 4.33Å; L325-I350 HydrophobicContact CD1-CG2 4.14Å; L325-R351 HydrophobicContact CB-CB 4.24Å; L325-R351 HydrophobicContact CB-CG 4.06Å; L325-R351 HydrophobicContact CD1-CB 4.15Å; L325-R351 PolarHBondContact O-NE 2.76Å
326	K	91.7	Very high	91.3	Very high	110 Å²	110	53.5 Å²	53.5	48%	0.478	32%	0.321	S	S	.	.	H	α-helix	trans	-75.4	-32.9	175.6	-72.8	175.2	-176	172.6	0	112.3	V322 S323 W324 R351 L353	V322-K326 HydrophobicContact CG1-CD 4.34Å; V322-K326 WeakPolarHBondContact O-CG 3.41Å; V322-K326 PolarHBondContact O-N 3.24Å; S323-K326 PolarHBondContact O-N 3.34Å; W324-K326 PolarHBondContact O-N 2.78Å; K326-R351 WeakPolarHBondContact CE-O 3.15Å; K326-R351 HydrophobicContact CG-CG 4.42Å; K326-L353 PolarHBondContact NZ-O 2.86Å; K326-L353 VanDerWaalsContact NZ-O 3.14Å
327	S	92.4	Very high	91.7	Very high	92 Å²	92	51.4 Å²	51.4	64%	0.643	31%	0.306	S	S	*	.	H	α-helix	trans	-81.9	-9.6	177.8	62.7	0	0	0	0	115	S323 W324	S323-S327 PolarHBondContact O-N 2.77Å; S323-S327 PolarHBondContact O-OG 3.27Å; W324-S327 WeakPolarHBondContact CA-OG 3.39Å; W324-S327 PolarHBondContact O-N 3.31Å; W324-S327 PolarHBondContact O-OG 3.32Å
328	L	92.5	Very high	92.1	Very high	32 Å²	32	54.3 Å²	54.3	17%	0.168	31%	0.311	C	S	.	.			trans	-64.6	143.6	-176.2	-71.4	-177	0	0	0	113.2	W324 L325 L332 V334	W324-L328 HydrophobicContact CD2-CD1 4.39Å; W324-L328 HydrophobicContact CD2-CD2 4.13Å; W324-L328 HydrophobicContact CD2-CG 4.36Å; W324-L328 HydrophobicContact CE3-CD1 4.22Å; W324-L328 HydrophobicContact CH2-CD1 3.86Å; W324-L328 HydrophobicContact CH2-CD2 4.42Å; W324-L328 HydrophobicContact CZ2-CD1 4.06Å; W324-L328 HydrophobicContact CZ2-CD2 3.75Å; W324-L328 HydrophobicContact CZ2-CG 4.4Å; W324-L328 HydrophobicContact CZ3-CD1 3.96Å; W324-L328 WeakPolarHBondContact O-CG 3.48Å; W324-L328 PolarHBondContact O-N 3.08Å; W324-L328 VanDerWaalsContact O-N 3.12Å; L325-L328 HydrophobicContact CD2-CD1 3.97Å; L328-L332 HydrophobicContact CD1-CD2 3.85Å; L328-L332 HydrophobicContact CD1-CG 4.46Å; L328-L332 HydrophobicContact CD2-CD2 3.76Å; L328-L332 HydrophobicContact CG-CD2 4.28Å; L328-V334 HydrophobicContact CD1-CB 4.49Å; L328-V334 HydrophobicContact CD1-CG2 3.47Å; L328-V334 VanDerWaalsContact CD1-CG2 3.47Å
329	P	92.5	Very high	92.3	Very high	78 Å²	78	54.3 Å²	54.3	51%	0.506	31%	0.311	S	S	.	.			trans	-70.3	153.5	174.3	31.1	-35.2	0	0	0	111.6	S331 L332	P329-S331 PolarHBondContact O-N 2.91Å; P329-S331 VanDerWaalsContact O-N 3.14Å; P329-L332 HydrophobicContact CG-CB 4.37Å; P329-L332 PolarHBondContact O-N 2.82Å
330	A	89.3	Confident	92.6	Very high	113 Å²	113	53.7 Å²	53.7	93%	0.934	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-18.1	179.5	0	0	0	0	0	114.2	L332	A330-L332 VanDerWaalsContact C-N 3.31Å
331	S	90.3	Very high	92.6	Very high	96 Å²	96	56.9 Å²	56.9	67%	0.671	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-20.8	177.1	51.7	0	0	0	0	113.8	P329	P329-S331 PolarHBondContact O-N 2.91Å; P329-S331 VanDerWaalsContact O-N 3.14Å
332	L	93.1	Very high	92.5	Very high	24 Å²	24	59.6 Å²	59.6	13%	0.126	34%	0.341	C	S	.	.			trans	-94.4	115	-179.7	173.8	57.1	0	0	0	110.3	L302 L328 P329 A330 V334	L302-L332 HydrophobicContact CB-CD1 4.18Å; L302-L332 HydrophobicContact CD2-CD1 4.05Å; L302-L332 HydrophobicContact CG-CD1 3.86Å; L328-L332 HydrophobicContact CD1-CD2 3.85Å; L328-L332 HydrophobicContact CD1-CG 4.46Å; L328-L332 HydrophobicContact CD2-CD2 3.76Å; L328-L332 HydrophobicContact CG-CD2 4.28Å; P329-L332 HydrophobicContact CG-CB 4.37Å; P329-L332 PolarHBondContact O-N 2.82Å; A330-L332 VanDerWaalsContact C-N 3.31Å; L332-V334 HydrophobicContact CD1-CG2 4.21Å; L332-V334 HydrophobicContact CD2-CG2 4.02Å; L332-V334 HydrophobicContact CG-CG2 3.71Å
333	N	93.4	Very high	92.4	Very high	70 Å²	70	65.5 Å²	65.5	37%	0.374	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	105.3	176.2	-177.4	8.7	0	0	0	110.2	R303 Q304 L305 R335	R303-N333 PolarHBondContact O-N 3.19Å; Q304-N333 WeakPolarHBondContact CA-O 3.42Å; L305-N333 PolarHBondContact N-O 2.86Å; N333-R335 WeakPolarHBondContact OD1-CG 3.23Å; N333-R335 PolarHBondContact OD1-NE 3.04Å
334	V	94.8	Very high	92.2	Very high	34 Å²	34	69.5 Å²	69.5	21%	0.206	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	130.5	176.2	-172.9	0	0	0	0	110.6	L305 L325 L328 L332 F337	L305-V334 HydrophobicContact CB-CG1 4.33Å; L305-V334 HydrophobicContact CB-CG2 4.24Å; L305-V334 HydrophobicContact CD2-CG1 4.08Å; L305-V334 HydrophobicContact CG-CG1 4.33Å; L305-V334 WeakPolarHBondContact O-CA 3.38Å; L325-V334 HydrophobicContact CD2-CB 4.3Å; L325-V334 HydrophobicContact CD2-CG1 3.88Å; L328-V334 HydrophobicContact CD1-CB 4.49Å; L328-V334 HydrophobicContact CD1-CG2 3.47Å; L328-V334 VanDerWaalsContact CD1-CG2 3.47Å; L332-V334 HydrophobicContact CD1-CG2 4.21Å; L332-V334 HydrophobicContact CD2-CG2 4.02Å; L332-V334 HydrophobicContact CG-CG2 3.71Å; V334-F337 HydrophobicContact CG1-CD2 3.55Å; V334-F337 HydrophobicContact CG1-CE2 3.56Å
335	R	92.6	Very high	92	Very high	128 Å²	128	68.4 Å²	68.4	48%	0.483	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	144.8	178.3	-59.9	-167.6	-179	-170.6	0.9	112.5	L305 V307 N333	L305-R335 PolarHBondContact O-N 3.37Å; V307-R335 VanDerWaalsContact CG2-O 3.31Å; V307-R335 WeakPolarHBondContact CG2-O 3.14Å; V307-R335 PolarHBondContact N-O 3.19Å; N333-R335 WeakPolarHBondContact OD1-CG 3.23Å; N333-R335 PolarHBondContact OD1-NE 3.04Å
336	G	91.3	Very high	91.9	Very high	24 Å²	24	74 Å²	74	25%	0.247	39%	0.394	C	S	.	.			trans	105.5	-0.9	169.2	0	0	0	0	0	116.5	W312 M338	W312-G336 PolarHBondContact NE1-O 3.39Å; G336-M338 VanDerWaalsContact C-N 3.34Å; G336-M338 PolarHBondContact O-N 3.13Å
337	F	94.3	Very high	91.8	Very high	11 Å²	11	70.8 Å²	70.8	5%	0.048	39%	0.393	C	S	.	.			trans	-76	84.8	172.9	-78.8	-67.5	0	0	0	111.2	L291 F296 L305 V307 W312 V321 W324 L325 V334 I350	L291-F337 HydrophobicContact CD1-CE1 3.64Å; L291-F337 HydrophobicContact CD1-CZ 3.73Å; F296-F337 HydrophobicContact CE2-CZ 4.43Å; L305-F337 HydrophobicContact CD2-CE2 4.19Å; V307-F337 HydrophobicContact CG1-CZ 4.29Å; V307-F337 HydrophobicContact CG2-CD1 3.97Å; V307-F337 HydrophobicContact CG2-CD2 3.62Å; V307-F337 HydrophobicContact CG2-CE1 4Å; V307-F337 HydrophobicContact CG2-CE2 3.63Å; V307-F337 HydrophobicContact CG2-CG 3.79Å; V307-F337 HydrophobicContact CG2-CZ 3.84Å; W312-F337 HydrophobicContact CD2-CD1 4.39Å; W312-F337 AromaticContact CE2-CD1 3.99Å; W312-F337 HydrophobicContact CH2-CE1 4.13Å; W312-F337 HydrophobicContact CZ2-CD1 4.22Å; W312-F337 AromaticContact CZ2-CE1 3.88Å; W312-F337 HydrophobicContact CZ2-CE1 3.88Å; V321-F337 HydrophobicContact CG1-CD1 4.15Å; V321-F337 HydrophobicContact CG1-CE1 3.93Å; V321-F337 HydrophobicContact CG1-CZ 4.24Å; W324-F337 AromaticContact CZ3-CE2 4Å; W324-F337 HydrophobicContact CZ3-CE2 4Å; W324-F337 HydrophobicContact CZ3-CZ 4.37Å; L325-F337 HydrophobicContact CD1-CB 4.1Å; L325-F337 HydrophobicContact CD1-CD2 4.06Å; L325-F337 HydrophobicContact CD1-CG 4.12Å; L325-F337 HydrophobicContact CD2-CD2 3.86Å; L325-F337 HydrophobicContact CD2-CE2 4.14Å; L325-F337 HydrophobicContact CG-CD2 4.49Å; V334-F337 HydrophobicContact CG1-CD2 3.55Å; V334-F337 HydrophobicContact CG1-CE2 3.56Å; F337-I350 HydrophobicContact CB-CB 4.11Å; F337-I350 HydrophobicContact CB-CD1 4.02Å; F337-I350 HydrophobicContact CB-CG1 4.3Å; F337-I350 HydrophobicContact CD1-CD1 3.99Å; F337-I350 HydrophobicContact CG-CD1 4.49Å; F337-I350 PolarHBondContact O-N 3.49Å
338	M	93.8	Very high	91.7	Very high	98 Å²	98	70.6 Å²	70.6	48%	0.483	38%	0.383	S	S	.	.	B	Isolated β-bridge	trans	-127.7	130.7	178.3	-177.4	-178	-74.3	0	0	109.4	W312 G336 H340 G347 M348	W312-M338 VanDerWaalsContact CD1-O 3.29Å; G336-M338 VanDerWaalsContact C-N 3.34Å; G336-M338 PolarHBondContact O-N 3.13Å; M338-H340 PolarHBondContact O-N 2.86Å; M338-G347 WeakPolarHBondContact CG-O 3.44Å; M338-M348 CarbonylContact C-O 3.52Å; M338-M348 WeakPolarHBondContact CA-O 3.48Å
339	C	93.8	Very high	91.7	Very high	3 Å²	3	71.8 Å²	71.8	2%	0.02	39%	0.391	C	S	.	.			trans	-64	131.7	-179.4	-64.9	0	0	0	0	111.5	C314 F345 R346 G347 M348	C314-C339 HydrophobicContact CB-CB 3.88Å; C314-C339 WeakPolarHBondContact CB-SG 3.38Å; C314-C339 WeakPolarHBondContact SG-CA 3.45Å; C314-C339 WeakPolarHBondContact SG-CB 3.41Å; C314-C339 CovalentContact SG-SG 2.02Å; C314-C339 PolarHBondContact SG-SG 3.35Å; C339-F345 HydrophobicContact CB-CB 4.09Å; C339-F345 WeakPolarHBondContact CB-O 3.31Å; C339-R346 CarbonylContact O-C 3.58Å; C339-R346 WeakPolarHBondContact O-CA 3.18Å; C339-G347 PolarHBondContact O-N 3.45Å; C339-M348 PolarHBondContact N-O 3.3Å
340	H	95	Very high	91.7	Very high	64 Å²	64	68 Å²	68	30%	0.296	37%	0.367	S	S	.	.			trans	-101.9	-36.6	170.4	-171.7	78.6	0	0	0	111.5	P311 W312 M338 R346	P311-H340 HydrophobicContact CB-CB 4.45Å; W312-H340 PolarHBondContact O-N 2.68Å; M338-H340 PolarHBondContact O-N 2.86Å; H340-R346 PolarHBondContact CE1-NH1 2.76Å; H340-R346 PolarHBondContact CE1-NH2 3.15Å; H340-R346 PolarHBondContact NE2-NH1 2.91Å
341	K	90.8	Very high	91.7	Very high	105 Å²	105	69.1 Å²	69.1	46%	0.457	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-134.7	157.9	177.4	-74	177.8	-178.4	179.7	0	110.7	W312 L313 C314	W312-K341 PolarHBondContact O-N 2.71Å; W312-K341 VanDerWaalsContact O-N 3.07Å; L313-K341 HydrophobicContact CD1-CB 3.58Å; C314-K341 PolarHBondContact N-O 3.1Å
342	P	91.5	Very high	91.5	Very high	57 Å²	57	72.1 Å²	72.1	37%	0.37	35%	0.35	S	S	.	.	S	Bend	cis	-67.8	166.6	-14.3	30.5	-36.8	0	0	0	112.2	K344 F345 R346	P342-K344 PolarHBondContact O-N 2.7Å; P342-F345 HydrophobicContact CG-CD2 3.8Å; P342-F345 HydrophobicContact CG-CE2 4.33Å; P342-F345 PolarHBondContact O-N 3.35Å; P342-R346 PolarHBondContact O-N 3.13Å
343	E	89.6	Confident	91	Very high	130 Å²	130	71.3 Å²	71.3	61%	0.607	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-52.1	-31.9	-177	-71.4	-58.5	139.9	0	0	113.8	F345 R346	E343-F345 PolarHBondContact O-N 2.85Å; E343-R346 WeakPolarHBondContact O-CB 3.32Å; E343-R346 PolarHBondContact O-N 2.82Å; E343-R346 IonicContact OE1-NH1 3.92Å; E343-R346 PolarHBondContact OE1-NH1 3.36Å; E343-R346 WeakPolarHBondContact OE2-CD 3.31Å
344	K	88	Confident	90	Very high	144 Å²	144	70.2 Å²	70.2	63%	0.626	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-55.4	-34	175.3	-176.7	179.6	177	-174.4	0	113.5	P342	P342-K344 PolarHBondContact O-N 2.7Å
345	F	87.9	Confident	88.4	Confident	16 Å²	16	70.8 Å²	70.8	7%	0.07	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-109.5	1.8	-177.2	-58	-56.6	0	0	0	112.6	C339 P342 E343 G347 M348 L353 L357	C339-F345 HydrophobicContact CB-CB 4.09Å; C339-F345 WeakPolarHBondContact CB-O 3.31Å; P342-F345 HydrophobicContact CG-CD2 3.8Å; P342-F345 HydrophobicContact CG-CE2 4.33Å; P342-F345 PolarHBondContact O-N 3.35Å; E343-F345 PolarHBondContact O-N 2.85Å; F345-G347 PolarHBondContact O-N 3.35Å; F345-M348 HydrophobicContact CB-SD 4.43Å; F345-M348 HydrophobicContact CD1-SD 3.86Å; F345-M348 VanDerWaalsContact O-CB 3.28Å; F345-M348 WeakPolarHBondContact O-CB 3.44Å; F345-M348 WeakPolarHBondContact O-CG 3.35Å; F345-M348 PolarHBondContact O-N 2.73Å; F345-L353 HydrophobicContact CD1-CD2 4.18Å; F345-L357 HydrophobicContact CE1-CB 4.27Å; F345-L357 HydrophobicContact CE1-CD2 4.49Å; F345-L357 HydrophobicContact CZ-CB 4.27Å
346	R	91.4	Very high	86.7	Confident	124 Å²	124	70.9 Å²	70.9	47%	0.468	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	129.8	-176.3	-176.3	179.2	-178.4	108.7	5	111.1	C339 H340 P342 E343 M348	C339-R346 CarbonylContact O-C 3.58Å; C339-R346 WeakPolarHBondContact O-CA 3.18Å; H340-R346 PolarHBondContact CE1-NH1 2.76Å; H340-R346 PolarHBondContact CE1-NH2 3.15Å; H340-R346 PolarHBondContact NE2-NH1 2.91Å; P342-R346 PolarHBondContact O-N 3.13Å; E343-R346 WeakPolarHBondContact O-CB 3.32Å; E343-R346 PolarHBondContact O-N 2.82Å; E343-R346 IonicContact OE1-NH1 3.92Å; E343-R346 PolarHBondContact OE1-NH1 3.36Å; E343-R346 WeakPolarHBondContact OE2-CD 3.31Å; R346-M348 VanDerWaalsContact C-N 3.28Å; R346-M348 PolarHBondContact O-N 3.39Å
347	G	90.3	Very high	85	Confident	43 Å²	43	73.7 Å²	73.7	44%	0.443	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.2	-9.4	-178.2	0	0	0	0	0	115.1	M338 C339 F345	M338-G347 WeakPolarHBondContact CG-O 3.44Å; C339-G347 PolarHBondContact O-N 3.45Å; F345-G347 PolarHBondContact O-N 3.35Å
348	M	90.4	Very high	83.3	Confident	89 Å²	89	73.8 Å²	73.8	44%	0.438	37%	0.373	S	S	.	.			trans	-74.8	143.4	177.6	-61.9	-172.4	-178.3	0	0	111.7	M338 C339 F345 R346 L353	M338-M348 CarbonylContact C-O 3.52Å; M338-M348 WeakPolarHBondContact CA-O 3.48Å; C339-M348 PolarHBondContact N-O 3.3Å; F345-M348 HydrophobicContact CB-SD 4.43Å; F345-M348 HydrophobicContact CD1-SD 3.86Å; F345-M348 VanDerWaalsContact O-CB 3.28Å; F345-M348 WeakPolarHBondContact O-CB 3.44Å; F345-M348 WeakPolarHBondContact O-CG 3.35Å; F345-M348 PolarHBondContact O-N 2.73Å; R346-M348 VanDerWaalsContact C-N 3.28Å; R346-M348 PolarHBondContact O-N 3.39Å; M348-L353 HydrophobicContact CB-CD2 4.24Å; M348-L353 HydrophobicContact SD-CD2 4.2Å
349	V	92	Very high	81.4	Confident	56 Å²	56	76.7 Å²	76.7	34%	0.339	39%	0.385	S	S	.	.	B	Isolated β-bridge	trans	-77.5	126.2	175.6	-179.3	0	0	0	0	109.5	R351 E352	V349-R351 HydrophobicContact CG1-CB 4.22Å; V349-R351 PolarHBondContact O-N 2.73Å; V349-E352 HydrophobicContact CB-CG 4.34Å; V349-E352 PolarHBondContact O-N 3.42Å
350	I	91.4	Very high	79.8	Confident	0 Å²	0	79.2 Å²	79.2	0%	0	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-59.8	-35.9	-173.5	-65.2	178.1	0	0	0	111.9	W312 M318 V321 V322 L325 F337 E352 L353	W312-I350 HydrophobicContact CB-CD1 4.12Å; W312-I350 HydrophobicContact CG-CD1 4.2Å; M318-I350 HydrophobicContact CG-CD1 4.04Å; M318-I350 HydrophobicContact CG-CG2 3.87Å; M318-I350 HydrophobicContact SD-CD1 4.1Å; V321-I350 HydrophobicContact CG1-CG2 4.3Å; V322-I350 HydrophobicContact CG2-CG2 3.7Å; V322-I350 WeakPolarHBondContact CG2-O 3.48Å; L325-I350 HydrophobicContact CD1-CB 4.33Å; L325-I350 HydrophobicContact CD1-CG2 4.14Å; F337-I350 HydrophobicContact CB-CB 4.11Å; F337-I350 HydrophobicContact CB-CD1 4.02Å; F337-I350 HydrophobicContact CB-CG1 4.3Å; F337-I350 HydrophobicContact CD1-CD1 3.99Å; F337-I350 HydrophobicContact CG-CD1 4.49Å; F337-I350 PolarHBondContact O-N 3.49Å; I350-E352 PolarHBondContact O-N 2.89Å; I350-L353 HydrophobicContact CB-CD1 4.5Å; I350-L353 HydrophobicContact CG2-CD1 4.44Å; I350-L353 WeakPolarHBondContact O-CB 3.49Å; I350-L353 PolarHBondContact O-N 2.83Å
351	R	89.3	Confident	77.6	Confident	136 Å²	136	82.2 Å²	82.2	51%	0.513	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-59.5	-28.6	178.4	-170.6	176.2	-174.8	-177.8	3.5	113.3	L325 K326 V349	L325-R351 HydrophobicContact CB-CB 4.24Å; L325-R351 HydrophobicContact CB-CG 4.06Å; L325-R351 HydrophobicContact CD1-CB 4.15Å; L325-R351 PolarHBondContact O-NE 2.76Å; K326-R351 WeakPolarHBondContact CE-O 3.15Å; K326-R351 HydrophobicContact CG-CG 4.42Å; V349-R351 HydrophobicContact CG1-CB 4.22Å; V349-R351 PolarHBondContact O-N 2.73Å
352	E	86	Confident	75.4	Confident	159 Å²	159	85.6 Å²	85.6	74%	0.743	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-91.7	-8.5	-175.2	-64	178.8	-174.2	0	0	113.2	V349 I350 S354	V349-E352 HydrophobicContact CB-CG 4.34Å; V349-E352 PolarHBondContact O-N 3.42Å; I350-E352 PolarHBondContact O-N 2.89Å; E352-S354 PolarHBondContact O-N 2.81Å
353	L	84.1	Confident	72.9	Confident	7 Å²	7	88.8 Å²	88.8	4%	0.037	46%	0.463	C	S	.	.			trans	-62.3	137	176.4	-62.6	173.7	0	0	0	110.6	C314 V322 K326 F345 M348 I350	C314-L353 HydrophobicContact CB-CD1 4.33Å; V322-L353 HydrophobicContact CG2-CB 4.37Å; K326-L353 PolarHBondContact NZ-O 2.86Å; K326-L353 VanDerWaalsContact NZ-O 3.14Å; F345-L353 HydrophobicContact CD1-CD2 4.18Å; M348-L353 HydrophobicContact CB-CD2 4.24Å; M348-L353 HydrophobicContact SD-CD2 4.2Å; I350-L353 HydrophobicContact CB-CD1 4.5Å; I350-L353 HydrophobicContact CG2-CD1 4.44Å; I350-L353 WeakPolarHBondContact O-CB 3.49Å; I350-L353 PolarHBondContact O-N 2.83Å
354	S	71.4	Confident	70.1	Confident	46 Å²	46	86.5 Å²	86.5	32%	0.322	47%	0.466	S	S	.	.			trans	-76.9	139.5	168.3	70.3	0	0	0	0	109.2	E352 D356 L357	E352-S354 PolarHBondContact O-N 2.81Å; S354-D356 PolarHBondContact O-N 2.77Å; S354-D356 VanDerWaalsContact O-N 3.16Å; S354-L357 PolarHBondContact O-N 2.59Å; S354-L357 WeakPolarHBondContact OG-CB 3.46Å; S354-L357 WeakPolarHBondContact OG-CD1 3.27Å; S354-L357 WeakPolarHBondContact OG-CG 3.44Å; S354-L357 PolarHBondContact OG-N 2.82Å
355	A	61.2	Low	67.6	Low	46 Å²	46	84.5 Å²	84.5	38%	0.38	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-28.4	177	0	0	0	0	0	111.5
356	D	56.5	Low	64.9	Low	130 Å²	130	90 Å²	90	70%	0.695	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-23.1	-178	-49.9	-44.9	0	0	0	113.8	S354 H359	S354-D356 PolarHBondContact O-N 2.77Å; S354-D356 VanDerWaalsContact O-N 3.16Å; D356-H359 PolarHBondContact O-CE1 3.39Å; D356-H359 VanDerWaalsContact O-CE1 3.29Å; D356-H359 PolarHBondContact O-ND1 3.38Å
357	L	55.8	Low	62.3	Low	84 Å²	84	93.4 Å²	93.4	44%	0.44	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-21.5	179.5	-86.1	164.9	0	0	0	113	F345 S354 H359	F345-L357 HydrophobicContact CE1-CB 4.27Å; F345-L357 HydrophobicContact CE1-CD2 4.49Å; F345-L357 HydrophobicContact CZ-CB 4.27Å; S354-L357 PolarHBondContact O-N 2.59Å; S354-L357 WeakPolarHBondContact OG-CB 3.46Å; S354-L357 WeakPolarHBondContact OG-CD1 3.27Å; S354-L357 WeakPolarHBondContact OG-CG 3.44Å; S354-L357 PolarHBondContact OG-N 2.82Å; L357-H359 PolarHBondContact O-N 2.76Å
358	V	58.3	Low	59.5	Low	13 Å²	13	94.6 Å²	94.6	8%	0.079	54%	0.537	C	S	.	.	S	Bend	trans	-93.7	79.3	172.9	-169.7	0	0	0	0	106.7	D315 C360	D315-V358 VanDerWaalsContact O-CG1 3.23Å; D315-V358 WeakPolarHBondContact O-CG1 3.24Å; V358-C360 PolarHBondContact O-N 2.94Å; V358-C360 PolarHBondContact O-SG 3.36Å
359	H	54.3	Low	56.9	Low	159 Å²	159	97.3 Å²	97.3	74%	0.736	56%	0.558	S	S	*	*			trans	-61	97	-179.1	-91.5	30.1	0	0	0	111	C316 D356 L357	C316-H359 PolarHBondContact SG-O 3.29Å; D356-H359 PolarHBondContact O-CE1 3.39Å; D356-H359 VanDerWaalsContact O-CE1 3.29Å; D356-H359 PolarHBondContact O-ND1 3.38Å; L357-H359 PolarHBondContact O-N 2.76Å
360	C	59.6	Low	53.9	Low	55 Å²	55	99.4 Å²	99.4	37%	0.372	58%	0.582	S	S	.	*			trans	-100.5	86.4	171.6	-53.5	0	0	0	0	108.3	C316 V358 Q362	C316-C360 WeakPolarHBondContact CA-SG 3.42Å; C316-C360 HydrophobicContact CB-CB 3.9Å; C316-C360 WeakPolarHBondContact CB-SG 3.38Å; C316-C360 WeakPolarHBondContact SG-CA 3.19Å; C316-C360 WeakPolarHBondContact SG-CB 3.49Å; C316-C360 CovalentContact SG-SG 2.03Å; C316-C360 PolarHBondContact SG-SG 2.75Å; V358-C360 PolarHBondContact O-N 2.94Å; V358-C360 PolarHBondContact O-SG 3.36Å; C360-Q362 PolarHBondContact O-N 3.47Å
361	T	50.4	Low	51	Low	128 Å²	128	108.6 Å²	108.6	79%	0.785	63%	0.627	S	S	*	*			trans	-63.4	105.9	159.5	49.5	0	0	0	0	106.4
362	Q	44.4	Very low	48	Very low	176 Å²	176	109.5 Å²	109.5	82%	0.822	64%	0.642	S	S	*	*			trans	-53.3	129.8	166.2	-66.2	-150.6	-14.7	0	0	107.4	C360 A364	C360-Q362 PolarHBondContact O-N 3.47Å; Q362-A364 VanDerWaalsContact C-N 3.31Å; Q362-A364 PolarHBondContact O-N 2.97Å
363	P	39	Very low	45.2	Very low	124 Å²	124	107.8 Å²	107.8	81%	0.805	65%	0.647	S	S	*	*			trans	-61.1	106.9	163.6	24	-27.5	0	0	0	105.7	S365	P363-S365 PolarHBondContact O-N 3.36Å
364	A	31	Very low	42.5	Very low	82 Å²	82	113.8 Å²	113.8	68%	0.678	68%	0.684	S	S	*	*			trans	-52.7	118.6	170.7	0	0	0	0	0	106.7	Q362 T366	Q362-A364 VanDerWaalsContact C-N 3.31Å; Q362-A364 PolarHBondContact O-N 2.97Å; A364-T366 PolarHBondContact O-N 2.89Å
365	S	35.1	Very low	40.4	Very low	101 Å²	101	118.1 Å²	118.1	71%	0.706	71%	0.709	S	S	*	*			trans	-57.8	89.1	164	50.7	0	0	0	0	107.7	P363 F367	P363-S365 PolarHBondContact O-N 3.36Å; S365-F367 VanDerWaalsContact C-N 3.25Å; S365-F367 PolarHBondContact O-N 3.22Å
366	T	31	Very low	38.6	Very low	132 Å²	132	120.7 Å²	120.7	81%	0.81	72%	0.724	S	S	*	*			trans	-68.4	94.5	162.7	38.5	0	0	0	0	106.7	A364 G368	A364-T366 PolarHBondContact O-N 2.89Å; T366-G368 PolarHBondContact O-N 3.21Å
367	F	36.4	Very low	37.2	Very low	195 Å²	195	121.4 Å²	121.4	86%	0.855	73%	0.726	S	S	*	*			trans	-54	91	153.6	-91.2	-93.9	0	0	0	108	S365	S365-F367 VanDerWaalsContact C-N 3.25Å; S365-F367 PolarHBondContact O-N 3.22Å
368	G	31.9	Very low	35.8	Very low	69 Å²	69	122.3 Å²	122.3	71%	0.711	74%	0.739	S	S	*	*			trans	-92.1	97.4	162.1	0	0	0	0	0	108.1	T366 A370	T366-G368 PolarHBondContact O-N 3.21Å; G368-A370 PolarHBondContact O-N 3.03Å
369	T	34.9	Very low	34.4	Very low	145 Å²	145	127.6 Å²	127.6	89%	0.89	77%	0.772	S	S	*	*			trans	-51.5	122.3	169	13.4	0	0	0	0	111.3
370	A	29.6	Very low	33	Very low	101 Å²	101	127.9 Å²	127.9	84%	0.835	78%	0.779	S	S	*	*			trans	-138.7	120.5	158	0	0	0	0	0	109.2	G368	G368-A370 PolarHBondContact O-N 3.03Å
371	M	30	Very low	31.5	Very low	193 Å²	193	134.5 Å²	134.5	95%	0.951	80%	0.802	S	S	*	*			trans	-67.6	150.8	-172	-85.8	171.9	152	0	0	114.2
372	N	27.6	Very low	30.5	Very low	154 Å²	154	134.5 Å²	134.5	82%	0.824	80%	0.804	S	S	*	*			trans	-50.6	145.2	166.1	-69.9	-24.4	0	0	0	113.9
373	S	27.6	Very low	29.5	Very low	123 Å²	123	133.4 Å²	133.4	86%	0.86	80%	0.803	S	S	*	*			trans	-152.2	108.4	146	-70.5	0	0	0	0	109.9
374	T	26.3	Very low	28.8	Very low	133 Å²	133	134.3 Å²	134.3	82%	0.816	81%	0.806	S	S	*	*			trans	-81.8	135.1	167.6	41.9	0	0	0	0	110.5
375	V	26.6	Very low	28.5	Very low	138 Å²	138	135.9 Å²	135.9	84%	0.836	81%	0.807	S	S	*	*			trans	-143.5	128.9	154.7	-178.6	0	0	0	0	109.4
376	S	25.3	Very low	28	Very low	99 Å²	99	142.7 Å²	142.7	69%	0.692	82%	0.817	S	S	*	*			trans	-81.9	170.8	174.6	42.4	0	0	0	0	112.2
377	I	26.8	Very low	27.7	Very low	146 Å²	146	144.6 Å²	144.6	75%	0.749	82%	0.817	S	S	*	*				164.8	124.9	125.6	-81.3	157.9	0	0	0	113.5
378	S	25.4	Very low	27.1	Very low	102 Å²	102	142 Å²	142	71%	0.713	82%	0.816	S	S	*	*			trans	41.2	137.4	144.3	76.9	0	0	0	0	126.5
379	T	29	Very low	26.7	Very low	124 Å²	124	144.2 Å²	144.2	76%	0.761	82%	0.821	S	S	*	*			trans	-47.9	146.3	151	48.5	0	0	0	0	116.1
380	D	26	Very low	26.2	Very low	165 Å²	165	142.6 Å²	142.6	88%	0.882	82%	0.816	S	S	*	*			trans	-159.4	132.8	138.5	-111	-16.6	0	0	0	112.2
381	F	27.5	Very low	25.9	Very low	195 Å²	195	143.7 Å²	143.7	86%	0.855	82%	0.817	S	S	*	*			trans	-94.6	158.1	163.3	-90.3	-87.7	0	0	0	108.5
382	P	28.6	Very low	25.7	Very low	128 Å²	128	143.7 Å²	143.7	83%	0.831	81%	0.812	S	S	*	*				-141.5	156	114	28.5	-10.3	0	0	0	115.8
383	L	23.4	Very low	25.6	Very low	152 Å²	152	147.9 Å²	147.9	80%	0.796	82%	0.816	S	S	*	*			trans	-84.6	132	179.3	-162.6	87.6	0	0	0	110.5
384	V	24.8	Very low	25.7	Very low	144 Å²	144	146.8 Å²	146.8	87%	0.873	81%	0.806	S	S	*	*			trans	-137.6	125.6	159.9	179.9	0	0	0	0	109.9
385	T	24.5	Very low	25.6	Very low	115 Å²	115	147.8 Å²	147.8	71%	0.706	81%	0.806	S	S	*	*			trans	-91.1	138.2	178.5	35.1	0	0	0	0	111.8
386	R	24.3	Very low	25.3	Very low	243 Å²	243	146.9 Å²	146.9	92%	0.917	80%	0.801	S	S	*	*			trans	-175.9	159.7	137.8	-108.4	173	178.1	176.8	-0.1	115.2
387	H	24.8	Very low	25.3	Very low	173 Å²	173	148.6 Å²	148.6	80%	0.801	81%	0.807	S	S	*	*			trans	-65.9	143.7	-157.5	-72.3	-75.9	0	0	0	120.8
388	V	25.3	Very low	25.1	Very low	139 Å²	139	149.5 Å²	149.5	84%	0.842	81%	0.813	S	S	*	*			trans	11.6	126.7	134.4	-171.3	0	0	0	0	120.1
389	S	22.1	Very low	25.4	Very low	117 Å²	117	149.4 Å²	149.4	82%	0.818	81%	0.81	S	S	*	*			trans	-168.8	142.3	133.8	179.7	0	0	0	0	112
390	S	25.4	Very low	25.1	Very low	111 Å²	111	150 Å²	150	78%	0.776	81%	0.813	S	S	*	*			trans	-80.8	148.5	-173	63.9	0	0	0	0	115.2
391	S	23.2	Very low	25.2	Very low	124 Å²	124	149.2 Å²	149.2	87%	0.867	81%	0.808	S	S	*	*			trans	-169.7	165.3	143.1	-164.9	0	0	0	0	112.6
392	K	24.8	Very low	25	Very low	193 Å²	193	150.1 Å²	150.1	84%	0.839	81%	0.808	S	S	*	*			trans	-92.7	140.9	-154.6	-66.7	161.8	168.6	171.9	0	115.6
393	R	25.2	Very low	24.8	Very low	241 Å²	241	149.4 Å²	149.4	91%	0.909	80%	0.801	S	S	*	*			trans	65.5	164.9	136.4	-95.9	-165.2	-162.4	-168.9	5.8	120.7
394	P	31.1	Very low	24.9	Very low	101 Å²	101	149.1 Å²	149.1	66%	0.656	80%	0.799	S	S	*	*				-132.7	-171.1	-93.6	34.7	-10.2	0	0	0	115.9
395	L	22.8	Very low	25	Very low	154 Å²	154	152.2 Å²	152.2	81%	0.806	80%	0.796	S	S	*	*			trans	81	129.4	177	-69.3	103.2	0	0	0	114.8
396	T	22.1	Very low	24.9	Very low	118 Å²	118	152.6 Å²	152.6	72%	0.724	80%	0.798	S	S	*	*				-169.5	166.5	54.2	-35	0	0	0	0	109.9
397	T	23.5	Very low	24.9	Very low	135 Å²	135	147.5 Å²	147.5	83%	0.828	80%	0.795	S	S	*	*			trans	88.1	119.9	159	63.5	0	0	0	0	120.8
398	L	23.1	Very low	25.3	Very low	165 Å²	165	151.2 Å²	151.2	86%	0.864	80%	0.802	S	S	*	*			trans	-59.9	178.5	159.2	-95.5	85.7	0	0	0	111.8
399	P	32.7	Very low	25.6	Very low	101 Å²	101	153.4 Å²	153.4	66%	0.656	80%	0.803	S	S	*	*			cis	-132.2	166.4	-19.1	30.6	-12.1	0	0	0	112.4
400	T	22.6	Very low	26	Very low	136 Å²	136	155.8 Å²	155.8	83%	0.834	81%	0.806	S	S	*	*			trans	-169.1	131.4	140.9	8.5	0	0	0	0	111.5
401	L	28.4	Very low	26.2	Very low	148 Å²	148	154.2 Å²	154.2	78%	0.775	81%	0.808	S	S	*	*			trans	-59.5	138.1	167.3	-84.2	91.5	0	0	0	110.4
402	Y	23	Very low	26.5	Very low	215 Å²	215	156.2 Å²	156.2	84%	0.843	81%	0.808	S	S	*	*			trans	-145.7	120	135.6	-82	-73.8	0	0	0	109.8
403	T	24.6	Very low	26.6	Very low	112 Å²	112	158.4 Å²	158.4	69%	0.687	81%	0.811	S	S	*	*			trans	-76.6	126.4	164	-31.6	0	0	0	0	107.9
404	I	23.7	Very low	26.8	Very low	147 Å²	147	153.2 Å²	153.2	75%	0.754	81%	0.806	S	S	*	*			trans	-135.9	121.3	165.5	-61.5	-179.3	0	0	0	108
405	Y	27.4	Very low	27.1	Very low	209 Å²	209	158.1 Å²	158.1	82%	0.82	82%	0.817	S	S	*	*			trans	-72.2	143.4	166.7	-62.3	-91.4	0	0	0	110
406	T	22.8	Very low	28.4	Very low	122 Å²	122	156.5 Å²	156.5	75%	0.748	81%	0.805	S	S	*	*			trans	-165.3	122.6	144.3	29.8	0	0	0	0	113.7
407	T	25.3	Very low	30.2	Very low	137 Å²	137	153.3 Å²	153.3	84%	0.84	79%	0.786	S	S	*	*			trans	31	132.7	130.3	57.6	0	0	0	0	121.1
408	R	32.8	Very low	32.3	Very low	250 Å²	250	147.1 Å²	147.1	94%	0.943	75%	0.749	S	S	*	*			trans	-92.4	120.4	171.4	-169.4	-175.5	-168.4	179.9	4.1	110.1
409	E	30.5	Very low	34.5	Very low	185 Å²	185	144.6 Å²	144.6	86%	0.864	73%	0.732	S	S	*	*			trans	-156	127.1	148.8	-111.3	178.7	-174.3	0	0	107.2
410	D	31.3	Very low	36.4	Very low	168 Å²	168	140.7 Å²	140.7	90%	0.898	71%	0.706	S	S	*	*	S	Bend	trans	23.5	111.3	170.7	-66.9	-22.8	0	0	0	120.8
411	G	28.9	Very low	38.8	Very low	78 Å²	78	137.9 Å²	137.9	80%	0.804	69%	0.689	S	S	*	*			trans	140.8	87.7	158.7	0	0	0	0	0	116
412	L	30.4	Very low	41	Very low	166 Å²	166	133.4 Å²	133.4	87%	0.869	66%	0.664	S	S	*	*			trans	-4.1	111.5	161.9	-156.9	76.2	0	0	0	119.2
413	R	25.7	Very low	43.3	Very low	238 Å²	238	126 Å²	126	90%	0.898	64%	0.641	S	S	*	*				-177.7	90.9	117.1	-97.6	-179.9	-173.7	-158.9	2.2	110.9	K415	R413-K415 PolarHBondContact O-N 2.65Å
414	T	30.5	Very low	45.3	Very low	133 Å²	133	124.5 Å²	124.5	82%	0.816	63%	0.628	S	S	*	*			trans	-70.8	116.9	164.2	41.4	0	0	0	0	108.9	Q416	T414-Q416 PolarHBondContact O-N 2.66Å
415	K	38	Very low	47.3	Very low	204 Å²	204	121.5 Å²	121.5	89%	0.887	61%	0.613	S	S	*	*			trans	-69.4	114.8	158.4	-85.1	-179.1	176.5	176.3	0	106.3	R413	R413-K415 PolarHBondContact O-N 2.65Å
416	Q	49.1	Very low	49	Very low	120 Å²	120	116.3 Å²	116.3	56%	0.561	60%	0.599	S	S	*	*			trans	-54.9	129.5	173.5	-74.7	172.9	-29.3	0	0	109.5	T414 L418	T414-Q416 PolarHBondContact O-N 2.66Å; Q416-L418 VanDerWaalsContact C-N 3.29Å; Q416-L418 PolarHBondContact O-N 3.29Å
417	P	60.7	Low	50.9	Low	50 Å²	50	111.1 Å²	111.1	33%	0.325	57%	0.57	S	S	.	*	S	Bend	trans	-70.4	-27.8	-175.1	26.7	-32.9	0	0	0	112.3	S437 F438	P417-S437 PolarHBondContact O-N 2.82Å; P417-S437 VanDerWaalsContact O-N 3.07Å; P417-S437 PolarHBondContact O-OG 3.49Å; P417-F438 HydrophobicContact CB-CD1 4.29Å; P417-F438 HydrophobicContact CB-CE1 3.85Å; P417-F438 VanDerWaalsContact O-CE1 3.31Å; P417-F438 WeakPolarHBondContact O-CE1 3.19Å
418	L	67.2	Low	53.2	Low	6 Å²	6	106.7 Å²	106.7	3%	0.031	54%	0.544	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	120.8	178.4	-177.3	71.2	0	0	0	110.4	Q416 V420 W434 A436 Y443 V486	Q416-L418 VanDerWaalsContact C-N 3.29Å; Q416-L418 PolarHBondContact O-N 3.29Å; L418-V420 HydrophobicContact CD2-CG2 3.93Å; L418-V420 HydrophobicContact CG-CG2 3.93Å; L418-W434 HydrophobicContact CD1-CB 4.18Å; L418-A436 HydrophobicContact CD1-CB 3.85Å; L418-Y443 HydrophobicContact CD1-CE1 3.97Å; L418-V486 HydrophobicContact CD2-CG1 4.33Å
419	Q	68.3	Low	55.4	Low	111 Å²	111	95.5 Å²	95.5	52%	0.519	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	122.2	169.5	-72.1	-169.7	-24.6	0	0	109.7	W434 L435	Q419-W434 CarbonylContact O-C 3.55Å; Q419-W434 WeakPolarHBondContact O-CA 3.43Å; Q419-L435 HydrophobicContact CB-CB 4.34Å; Q419-L435 PolarHBondContact N-O 3.3Å; Q419-L435 PolarHBondContact O-N 3.31Å
420	V	73.3	Confident	57.8	Low	19 Å²	19	86.7 Å²	86.7	12%	0.115	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	134.1	173.5	-164.6	0	0	0	0	109.3	L418 F422 V432 R433 W434 V486 L502	L418-V420 HydrophobicContact CD2-CG2 3.93Å; L418-V420 HydrophobicContact CG-CG2 3.93Å; V420-F422 HydrophobicContact CB-CE2 3.78Å; V420-F422 HydrophobicContact CB-CZ 3.97Å; V420-F422 HydrophobicContact CG1-CD2 4.27Å; V420-F422 HydrophobicContact CG1-CE1 4Å; V420-F422 HydrophobicContact CG1-CE2 3.47Å; V420-F422 VanDerWaalsContact CG1-CE2 3.47Å; V420-F422 HydrophobicContact CG1-CZ 3.31Å; V420-V432 HydrophobicContact CG1-CG1 3.61Å; V420-R433 CarbonylContact C-O 3.56Å; V420-R433 VanDerWaalsContact CA-O 3.32Å; V420-R433 WeakPolarHBondContact CA-O 3.45Å; V420-R433 WeakPolarHBondContact CG1-O 3.19Å; V420-W434 HydrophobicContact CG1-CB 4.37Å; V420-W434 HydrophobicContact CG2-CB 4.13Å; V420-V486 HydrophobicContact CG1-CG2 3.86Å; V420-V486 HydrophobicContact CG2-CB 4.13Å; V420-V486 HydrophobicContact CG2-CG2 4.32Å; V420-L502 HydrophobicContact CB-CD2 3.75Å; V420-L502 HydrophobicContact CG2-CB 4.11Å; V420-L502 HydrophobicContact CG2-CD2 3.65Å
421	T	73	Confident	60.3	Low	78 Å²	78	80.6 Å²	80.6	48%	0.479	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	135.6	177.7	50.9	0	0	0	0	108.9	R433	T421-R433 PolarHBondContact N-O 3.22Å; T421-R433 PolarHBondContact O-N 3.19Å; T421-R433 WeakPolarHBondContact OG1-CB 3.26Å; T421-R433 PolarHBondContact OG1-O 3.23Å
422	F	74.3	Confident	63	Low	54 Å²	54	76.9 Å²	76.9	24%	0.237	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	119.7	-176.2	-57.8	-97.7	0	0	0	107.5	V420 V432 I484 T504	V420-F422 HydrophobicContact CB-CE2 3.78Å; V420-F422 HydrophobicContact CB-CZ 3.97Å; V420-F422 HydrophobicContact CG1-CD2 4.27Å; V420-F422 HydrophobicContact CG1-CE1 4Å; V420-F422 HydrophobicContact CG1-CE2 3.47Å; V420-F422 VanDerWaalsContact CG1-CE2 3.47Å; V420-F422 HydrophobicContact CG1-CZ 3.31Å; F422-V432 HydrophobicContact CD1-CB 4.24Å; F422-V432 HydrophobicContact CD1-CG1 3.8Å; F422-V432 HydrophobicContact CD1-CG2 3.82Å; F422-V432 HydrophobicContact CE1-CB 4.3Å; F422-V432 HydrophobicContact CE1-CG1 3.45Å; F422-V432 VanDerWaalsContact CE1-CG1 3.45Å; F422-V432 HydrophobicContact CE1-CG2 4Å; F422-V432 HydrophobicContact CZ-CG1 4.11Å; F422-I484 HydrophobicContact CD1-CD1 4.31Å; F422-I484 HydrophobicContact CE1-CB 4.05Å; F422-I484 HydrophobicContact CE1-CD1 4.46Å; F422-I484 HydrophobicContact CE1-CG2 3.88Å; F422-T504 HydrophobicContact CD2-CG2 4.35Å; F422-T504 WeakPolarHBondContact CD2-OG1 3.38Å; F422-T504 WeakPolarHBondContact CE1-OG1 3.4Å; F422-T504 HydrophobicContact CE2-CG2 3.64Å; F422-T504 WeakPolarHBondContact CE2-OG1 3.44Å; F422-T504 HydrophobicContact CZ-CG2 4.13Å; F422-T504 WeakPolarHBondContact CZ-OG1 3.33Å
423	T	70.8	Confident	65.4	Low	60 Å²	60	75 Å²	75	37%	0.368	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	114.9	178.1	47.8	0	0	0	0	108.8	L425 H431	T423-L425 PolarHBondContact O-N 3.35Å; T423-H431 PolarHBondContact N-O 3.41Å; T423-H431 PolarHBondContact O-N 3.39Å; T423-H431 WeakPolarHBondContact OG1-CB 3.34Å; T423-H431 PolarHBondContact OG1-O 3.1Å; T423-H431 VanDerWaalsContact OG1-O 3.11Å
424	I	67.7	Low	68.2	Low	79 Å²	79	63.8 Å²	63.8	41%	0.405	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	116.7	173.1	-58.4	166.3	0	0	0	106.7	V507	I424-V507 VanDerWaalsContact CD1-O 3.32Å; I424-V507 WeakPolarHBondContact CD1-O 3.36Å
425	L	65.6	Low	70.4	Confident	84 Å²	84	62.1 Å²	62.1	44%	0.44	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	-48.7	-178.1	-66.4	178.7	0	0	0	110.8	T423 D429 H431 R472	T423-L425 PolarHBondContact O-N 3.35Å; L425-D429 HydrophobicContact CB-CB 4.42Å; L425-D429 PolarHBondContact N-O 3.2Å; L425-H431 HydrophobicContact CD1-CB 3.64Å; L425-H431 HydrophobicContact CD2-CB 4.32Å; L425-H431 HydrophobicContact CG-CB 3.78Å; L425-R472 HydrophobicContact CD1-CG 4.4Å
426	N	63.5	Low	72.1	Confident	101 Å²	101	53.8 Å²	53.8	54%	0.54	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	171.2	179.6	-74.8	-14.9	0	0	0	109.4	S428 D429	N426-S428 PolarHBondContact O-N 3.37Å; N426-D429 HydrophobicContact CB-CB 4.41Å; N426-D429 PolarHBondContact O-N 3.27Å; N426-D429 VanDerWaalsContact O-N 3.13Å
427	G	63.2	Low	72.9	Confident	13 Å²	13	52.8 Å²	52.8	13%	0.134	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-2.3	-178.9	0	0	0	0	0	117	P478 T509	G427-P478 WeakPolarHBondContact O-CA 3.48Å; G427-T509 CarbonylContact C-O 3.54Å; G427-T509 WeakPolarHBondContact CA-O 3.33Å
428	S	71.9	Confident	73.2	Confident	43 Å²	43	54.1 Å²	54.1	30%	0.301	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.3	4.6	178.6	59.4	0	0	0	0	113.9	N426 L476	N426-S428 PolarHBondContact O-N 3.37Å; S428-L476 VanDerWaalsContact CB-O 3.24Å; S428-L476 WeakPolarHBondContact CB-O 3.35Å; S428-L476 WeakPolarHBondContact O-CB 3.23Å; S428-L476 PolarHBondContact O-N 3.35Å
429	D	79.2	Confident	73.1	Confident	16 Å²	16	59.6 Å²	59.6	9%	0.086	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	127.4	-172.1	-70.9	-3.4	0	0	0	111.9	L425 N426 R472 L473 T474	L425-D429 HydrophobicContact CB-CB 4.42Å; L425-D429 PolarHBondContact N-O 3.2Å; N426-D429 HydrophobicContact CB-CB 4.41Å; N426-D429 PolarHBondContact O-N 3.27Å; N426-D429 VanDerWaalsContact O-N 3.13Å; D429-R472 IonicContact OD2-CZ 3.92Å; D429-R472 IonicContact OD2-NE 3.9Å; D429-R472 PolarHBondContact OD2-NE 3.49Å; D429-R472 IonicContact OD2-NH2 2.81Å; D429-R472 PolarHBondContact OD2-NH2 2.91Å; D429-L473 WeakPolarHBondContact CA-O 3.27Å; D429-T474 WeakPolarHBondContact OD1-CA 3.06Å
430	I	81.7	Confident	73.3	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	123.8	177.9	-60.3	173.8	0	0	0	108.8	V432 L473 L476 I484 A506 T508	I430-V432 HydrophobicContact CG2-CG2 4.18Å; I430-L473 PolarHBondContact N-O 3.43Å; I430-L473 PolarHBondContact O-N 2.8Å; I430-L476 HydrophobicContact CB-CD1 4.06Å; I430-L476 HydrophobicContact CD1-CD1 3.57Å; I430-L476 HydrophobicContact CG1-CD1 3.71Å; I430-I484 HydrophobicContact CD1-CD1 4.01Å; I430-I484 HydrophobicContact CG2-CD1 3.98Å; I430-A506 HydrophobicContact CD1-CB 3.75Å; I430-T508 HydrophobicContact CD1-CG2 4.03Å; I430-T508 HydrophobicContact CG1-CG2 4.42Å
431	H	82.5	Confident	73.3	Confident	40 Å²	40	57.7 Å²	57.7	19%	0.185	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	115.3	174.3	-170.3	76.1	0	0	0	109.8	T423 L425 R433	T423-H431 PolarHBondContact N-O 3.41Å; T423-H431 PolarHBondContact O-N 3.39Å; T423-H431 WeakPolarHBondContact OG1-CB 3.34Å; T423-H431 PolarHBondContact OG1-O 3.1Å; T423-H431 VanDerWaalsContact OG1-O 3.11Å; L425-H431 HydrophobicContact CD1-CB 3.64Å; L425-H431 HydrophobicContact CD2-CB 4.32Å; L425-H431 HydrophobicContact CG-CB 3.78Å; H431-R433 WeakPolarHBondContact CD2-CG 3.36Å; H431-R433 VanDerWaalsContact NE2-CG 3.34Å; H431-R433 WeakPolarHBondContact NE2-CG 3.43Å
432	V	86.1	Confident	73.7	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	124	-178.5	-172.2	0	0	0	0	107.7	V420 F422 I430 W434 G470 I471 L473 I484 V486	V420-V432 HydrophobicContact CG1-CG1 3.61Å; F422-V432 HydrophobicContact CD1-CB 4.24Å; F422-V432 HydrophobicContact CD1-CG1 3.8Å; F422-V432 HydrophobicContact CD1-CG2 3.82Å; F422-V432 HydrophobicContact CE1-CB 4.3Å; F422-V432 HydrophobicContact CE1-CG1 3.45Å; F422-V432 VanDerWaalsContact CE1-CG1 3.45Å; F422-V432 HydrophobicContact CE1-CG2 4Å; F422-V432 HydrophobicContact CZ-CG1 4.11Å; I430-V432 HydrophobicContact CG2-CG2 4.18Å; V432-W434 HydrophobicContact CB-CZ3 4.43Å; V432-W434 HydrophobicContact CG1-CE3 4.08Å; V432-W434 HydrophobicContact CG1-CZ3 4.2Å; V432-G470 CarbonylContact O-C 3.49Å; V432-G470 WeakPolarHBondContact O-CA 3.28Å; V432-I471 HydrophobicContact CB-CG2 4.18Å; V432-I471 PolarHBondContact N-O 3.01Å; V432-I471 PolarHBondContact O-N 2.95Å; V432-L473 HydrophobicContact CG2-CD1 4.06Å; V432-L473 HydrophobicContact CG2-CG 4.23Å; V432-I484 HydrophobicContact CG2-CD1 4.49Å; V432-I484 HydrophobicContact CG2-CG2 4.25Å; V432-V486 HydrophobicContact CG1-CG2 3.81Å
433	R	81.9	Confident	74.1	Confident	125 Å²	125	52.8 Å²	52.8	47%	0.472	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	143.6	176.8	-57.1	179.6	71.5	101.7	4.1	109.8	V420 T421 H431 R469	V420-R433 CarbonylContact C-O 3.56Å; V420-R433 VanDerWaalsContact CA-O 3.32Å; V420-R433 WeakPolarHBondContact CA-O 3.45Å; V420-R433 WeakPolarHBondContact CG1-O 3.19Å; T421-R433 PolarHBondContact N-O 3.22Å; T421-R433 PolarHBondContact O-N 3.19Å; T421-R433 WeakPolarHBondContact OG1-CB 3.26Å; T421-R433 PolarHBondContact OG1-O 3.23Å; H431-R433 WeakPolarHBondContact CD2-CG 3.36Å; H431-R433 VanDerWaalsContact NE2-CG 3.34Å; H431-R433 WeakPolarHBondContact NE2-CG 3.43Å; R433-R469 CarbonylContact C-O 3.18Å; R433-R469 VanDerWaalsContact CA-O 3.26Å; R433-R469 WeakPolarHBondContact CA-O 3.25Å
434	W	83.6	Confident	74.7	Confident	4 Å²	4	52.6 Å²	52.6	2%	0.015	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	154	178.8	53.7	82.5	0	0	0	112.4	L418 Q419 V420 V432 Y443 V445 V464 H468 R469 G470 I471 V486	L418-W434 HydrophobicContact CD1-CB 4.18Å; Q419-W434 CarbonylContact O-C 3.55Å; Q419-W434 WeakPolarHBondContact O-CA 3.43Å; V420-W434 HydrophobicContact CG1-CB 4.37Å; V420-W434 HydrophobicContact CG2-CB 4.13Å; V432-W434 HydrophobicContact CB-CZ3 4.43Å; V432-W434 HydrophobicContact CG1-CE3 4.08Å; V432-W434 HydrophobicContact CG1-CZ3 4.2Å; W434-Y443 AromaticContact CD1-CD1 3.88Å; W434-Y443 AromaticContact CD1-CE1 3.49Å; W434-Y443 VanDerWaalsContact CD1-CE1 3.49Å; W434-Y443 AromaticContact CD1-CE2 3.67Å; W434-Y443 AromaticContact CD1-CZ 3.38Å; W434-Y443 AromaticContact CE2-CD2 3.74Å; W434-Y443 AromaticContact CE2-CG 3.77Å; W434-Y443 HydrophobicContact CG-CD1 4.39Å; W434-Y443 HydrophobicContact CG-CE1 4.26Å; W434-Y443 AromaticContact CZ2-CD2 3.98Å; W434-Y443 HydrophobicContact CZ2-CD2 3.98Å; W434-Y443 HydrophobicContact CZ2-CG 4.04Å; W434-Y443 AromaticContact NE1-CD1 3.76Å; W434-Y443 AromaticContact NE1-CD2 3.19Å; W434-Y443 AromaticContact NE1-CE1 3.69Å; W434-Y443 AromaticContact NE1-CE2 3.12Å; W434-Y443 AromaticContact NE1-CG 3.51Å; W434-Y443 AromaticContact NE1-CZ 3.38Å; W434-V445 HydrophobicContact CH2-CG2 3.92Å; W434-V445 HydrophobicContact CZ3-CG2 3.8Å; W434-V464 HydrophobicContact CH2-CB 4.39Å; W434-V464 HydrophobicContact CH2-CG2 4.12Å; W434-V464 HydrophobicContact CZ2-CB 4.27Å; W434-V464 HydrophobicContact CZ2-CG1 4.33Å; W434-V464 HydrophobicContact CZ2-CG2 4.5Å; W434-H468 PolarHBondContact NE1-O 3.44Å; W434-R469 PolarHBondContact N-O 3.26Å; W434-G470 VanDerWaalsContact CH2-CA 3.48Å; W434-G470 VanDerWaalsContact CZ3-CA 3.49Å; W434-I471 HydrophobicContact CH2-CB 3.96Å; W434-I471 HydrophobicContact CH2-CG2 4.07Å; W434-I471 HydrophobicContact CZ3-CB 4.2Å; W434-I471 HydrophobicContact CZ3-CG2 3.88Å; W434-V486 HydrophobicContact CD2-CG1 4.25Å; W434-V486 HydrophobicContact CE3-CG1 4.09Å; W434-V486 HydrophobicContact CE3-CG2 4.3Å; W434-V486 HydrophobicContact CG-CG1 4.49Å
435	L	77.8	Confident	75.6	Confident	97 Å²	97	48.9 Å²	48.9	51%	0.508	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	106.9	174.7	-76.1	162.7	0	0	0	107.5	Q419	Q419-L435 HydrophobicContact CB-CB 4.34Å; Q419-L435 PolarHBondContact N-O 3.3Å; Q419-L435 PolarHBondContact O-N 3.31Å
436	A	73.8	Confident	76.5	Confident	30 Å²	30	46 Å²	46	25%	0.248	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	140.9	169.2	0	0	0	0	0	109.8	L418 F438 V440 Y443	L418-A436 HydrophobicContact CD1-CB 3.85Å; A436-F438 VanDerWaalsContact C-N 3.26Å; A436-F438 HydrophobicContact CB-CD1 4.25Å; A436-F438 HydrophobicContact CB-CE1 4.1Å; A436-F438 HydrophobicContact CB-CZ 4.34Å; A436-V440 HydrophobicContact CB-CG2 3.79Å; A436-Y443 HydrophobicContact CB-CE1 4.41Å; A436-Y443 WeakPolarHBondContact CB-OH 3.14Å
437	S	64.6	Low	77.7	Confident	99 Å²	99	42.7 Å²	42.7	69%	0.692	24%	0.239	S	C	*	.	S	Bend	trans	-87.4	5.5	174.6	55.1	0	0	0	0	113.5	P417	P417-S437 PolarHBondContact O-N 2.82Å; P417-S437 VanDerWaalsContact O-N 3.07Å; P417-S437 PolarHBondContact O-OG 3.49Å
438	F	66.6	Low	78.6	Confident	77 Å²	77	43 Å²	43	34%	0.338	24%	0.241	S	C	.	.	S	Bend	trans	-136.9	157.1	-176.6	56.5	-84.6	0	0	0	110.2	P417 A436 V440 P488	P417-F438 HydrophobicContact CB-CD1 4.29Å; P417-F438 HydrophobicContact CB-CE1 3.85Å; P417-F438 VanDerWaalsContact O-CE1 3.31Å; P417-F438 WeakPolarHBondContact O-CE1 3.19Å; A436-F438 VanDerWaalsContact C-N 3.26Å; A436-F438 HydrophobicContact CB-CD1 4.25Å; A436-F438 HydrophobicContact CB-CE1 4.1Å; A436-F438 HydrophobicContact CB-CZ 4.34Å; F438-V440 HydrophobicContact CD2-CG2 3.65Å; F438-V440 HydrophobicContact CE2-CG2 3.39Å; F438-V440 HydrophobicContact CZ-CG2 4.11Å; F438-V440 PolarHBondContact O-N 3.35Å; F438-P488 HydrophobicContact CE2-CB 4.06Å; F438-P488 HydrophobicContact CE2-CG 4.33Å; F438-P488 HydrophobicContact CZ-CB 4.06Å; F438-P488 HydrophobicContact CZ-CG 3.96Å
439	P	65.6	Low	79.1	Confident	121 Å²	121	43.9 Å²	43.9	79%	0.786	24%	0.237	S	C	*	.			trans	-66.4	130.7	175.8	26.9	-32.8	0	0	0	110.4
440	V	72	Confident	78.8	Confident	18 Å²	18	47.5 Å²	47.5	11%	0.109	26%	0.255	C	S	.	.			trans	-123.3	139.4	178.6	-179.6	0	0	0	0	107.6	A436 F438 A442 Y443 G466 P488 L489	A436-V440 HydrophobicContact CB-CG2 3.79Å; F438-V440 HydrophobicContact CD2-CG2 3.65Å; F438-V440 HydrophobicContact CE2-CG2 3.39Å; F438-V440 HydrophobicContact CZ-CG2 4.11Å; F438-V440 PolarHBondContact O-N 3.35Å; V440-A442 WeakPolarHBondContact CG1-O 3.13Å; V440-Y443 HydrophobicContact CB-CE1 4.09Å; V440-Y443 HydrophobicContact CB-CE2 3.95Å; V440-Y443 HydrophobicContact CG1-CD1 4.05Å; V440-Y443 HydrophobicContact CG1-CD2 4.12Å; V440-Y443 HydrophobicContact CG1-CE1 3.76Å; V440-Y443 HydrophobicContact CG1-CE2 3.82Å; V440-Y443 HydrophobicContact CG1-CG 4.23Å; V440-Y443 HydrophobicContact CG2-CE1 3.94Å; V440-Y443 WeakPolarHBondContact CG2-OH 3.24Å; V440-G466 VanDerWaalsContact O-CA 3.27Å; V440-G466 WeakPolarHBondContact O-CA 3.26Å; V440-P488 HydrophobicContact CG1-CB 3.85Å; V440-P488 HydrophobicContact CG2-CB 3.96Å; V440-L489 WeakPolarHBondContact CG1-O 3.28Å
441	T	74.8	Confident	78.1	Confident	73 Å²	73	51.2 Å²	51.2	45%	0.448	27%	0.272	S	S	.	.	S	Bend	trans	-87.2	-35.6	-179.9	62.8	0	0	0	0	112.5	G466 L489 A491	T441-G466 WeakPolarHBondContact O-CA 3.3Å; T441-G466 PolarHBondContact O-N 2.61Å; T441-L489 PolarHBondContact N-O 3.18Å; T441-L489 PolarHBondContact OG1-O 3.26Å; T441-A491 HydrophobicContact CG2-CB 3.93Å
442	A	80.3	Confident	76.6	Confident	17 Å²	17	55.7 Å²	55.7	14%	0.14	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	159.8	173.7	0	0	0	0	0	110.8	V440 I463 V464 L489	V440-A442 WeakPolarHBondContact CG1-O 3.13Å; A442-I463 HydrophobicContact CB-CG2 3.87Å; A442-V464 CarbonylContact C-O 3.55Å; A442-V464 WeakPolarHBondContact CA-O 3.4Å; A442-V464 WeakPolarHBondContact CB-O 3.49Å; A442-L489 HydrophobicContact CB-CB 4.26Å; A442-L489 HydrophobicContact CB-CD1 4.08Å; A442-L489 PolarHBondContact N-O 3.25Å; A442-L489 WeakPolarHBondContact O-CA 2.85Å; A442-L489 VanDerWaalsContact O-CB 3.27Å; A442-L489 WeakPolarHBondContact O-CB 3.27Å; A442-L489 PolarHBondContact O-N 2.81Å
443	Y	82.2	Confident	74.6	Confident	11 Å²	11	57.8 Å²	57.8	4%	0.043	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	128.3	172.3	-63.2	-89.7	0	0	0	109.3	L418 W434 A436 V440 I463 V464 V486 I487 P488	L418-Y443 HydrophobicContact CD1-CE1 3.97Å; W434-Y443 AromaticContact CD1-CD1 3.88Å; W434-Y443 AromaticContact CD1-CE1 3.49Å; W434-Y443 VanDerWaalsContact CD1-CE1 3.49Å; W434-Y443 AromaticContact CD1-CE2 3.67Å; W434-Y443 AromaticContact CD1-CZ 3.38Å; W434-Y443 AromaticContact CE2-CD2 3.74Å; W434-Y443 AromaticContact CE2-CG 3.77Å; W434-Y443 HydrophobicContact CG-CD1 4.39Å; W434-Y443 HydrophobicContact CG-CE1 4.26Å; W434-Y443 AromaticContact CZ2-CD2 3.98Å; W434-Y443 HydrophobicContact CZ2-CD2 3.98Å; W434-Y443 HydrophobicContact CZ2-CG 4.04Å; W434-Y443 AromaticContact NE1-CD1 3.76Å; W434-Y443 AromaticContact NE1-CD2 3.19Å; W434-Y443 AromaticContact NE1-CE1 3.69Å; W434-Y443 AromaticContact NE1-CE2 3.12Å; W434-Y443 AromaticContact NE1-CG 3.51Å; W434-Y443 AromaticContact NE1-CZ 3.38Å; A436-Y443 HydrophobicContact CB-CE1 4.41Å; A436-Y443 WeakPolarHBondContact CB-OH 3.14Å; V440-Y443 HydrophobicContact CB-CE1 4.09Å; V440-Y443 HydrophobicContact CB-CE2 3.95Å; V440-Y443 HydrophobicContact CG1-CD1 4.05Å; V440-Y443 HydrophobicContact CG1-CD2 4.12Å; V440-Y443 HydrophobicContact CG1-CE1 3.76Å; V440-Y443 HydrophobicContact CG1-CE2 3.82Å; V440-Y443 HydrophobicContact CG1-CG 4.23Å; V440-Y443 HydrophobicContact CG2-CE1 3.94Å; V440-Y443 WeakPolarHBondContact CG2-OH 3.24Å; Y443-I463 CarbonylContact O-C 3.6Å; Y443-I463 WeakPolarHBondContact O-CA 3.33Å; Y443-V464 PolarHBondContact N-O 3.2Å; Y443-V464 PolarHBondContact O-N 3.01Å; Y443-V486 HydrophobicContact CD1-CG1 4.15Å; Y443-I487 CarbonylContact C-O 3.13Å; Y443-I487 VanDerWaalsContact CA-O 3.31Å; Y443-I487 WeakPolarHBondContact CA-O 3.33Å; Y443-P488 HydrophobicContact CD1-CB 4.2Å; Y443-P488 HydrophobicContact CE1-CB 4.14Å
444	K	85.3	Confident	72.8	Confident	57 Å²	57	60.9 Å²	60.9	25%	0.248	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	120.1	168.9	178.9	172.9	179.8	164.8	0	109.2	T446 E461 I463 I487 L489	K444-T446 HydrophobicContact CG-CG2 4.27Å; K444-E461 WeakPolarHBondContact CE-OE2 3.34Å; K444-E461 IonicContact NZ-OE1 2.61Å; K444-E461 IonicContact NZ-OE2 3.44Å; K444-E461 PolarHBondContact NZ-OE2 3.22Å; K444-I463 HydrophobicContact CB-CG1 4.38Å; K444-I463 HydrophobicContact CG-CG1 4.4Å; K444-I487 HydrophobicContact CB-CB 4.24Å; K444-I487 HydrophobicContact CD-CD1 4.47Å; K444-I487 HydrophobicContact CG-CD1 4.43Å; K444-I487 PolarHBondContact N-O 3.39Å; K444-I487 PolarHBondContact O-N 2.97Å; K444-L489 HydrophobicContact CB-CD1 4.14Å; K444-L489 HydrophobicContact CB-CG 4.43Å
445	V	85.1	Confident	71	Confident	0 Å²	0	66 Å²	66	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	123.2	177.7	-174.8	0	0	0	0	108.8	W434 E461 R462 I471 I484 C485 V486	W434-V445 HydrophobicContact CH2-CG2 3.92Å; W434-V445 HydrophobicContact CZ3-CG2 3.8Å; V445-E461 CarbonylContact O-C 3.33Å; V445-E461 WeakPolarHBondContact O-CA 3.33Å; V445-R462 PolarHBondContact N-O 3.47Å; V445-R462 PolarHBondContact O-N 3.04Å; V445-I471 HydrophobicContact CB-CG2 4.42Å; V445-I471 HydrophobicContact CG1-CG2 4.16Å; V445-I471 HydrophobicContact CG2-CG2 4.13Å; V445-I484 HydrophobicContact CG1-CG2 4.1Å; V445-C485 CarbonylContact C-O 3.56Å; V445-C485 WeakPolarHBondContact CA-O 3.45Å; V445-V486 HydrophobicContact CG1-CG2 4.37Å; V445-V486 HydrophobicContact CG2-CG1 4.4Å; V445-V486 HydrophobicContact CG2-CG2 4.26Å
446	T	85.8	Confident	69.4	Low	23 Å²	23	64.6 Å²	64.6	14%	0.141	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	145.3	177.2	63.7	0	0	0	0	110.8	K444 R460 E461 I484 C485	K444-T446 HydrophobicContact CG-CG2 4.27Å; T446-R460 CarbonylContact C-O 3.04Å; T446-R460 VanDerWaalsContact CA-O 3.25Å; T446-R460 WeakPolarHBondContact CA-O 3.28Å; T446-E461 HydrophobicContact CG2-CB 3.9Å; T446-I484 CarbonylContact O-C 3.13Å; T446-I484 VanDerWaalsContact O-CA 3.27Å; T446-I484 WeakPolarHBondContact O-CA 3.06Å; T446-C485 PolarHBondContact N-O 3.38Å; T446-C485 PolarHBondContact O-N 3.24Å; T446-C485 WeakPolarHBondContact OG1-CB 3.5Å
447	W	87.3	Confident	68.5	Low	32 Å²	32	66.4 Å²	66.4	12%	0.121	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	136.8	173.1	67	100.8	0	0	0	112.1	R460 R462 L473 R483 I484	W447-R460 HydrophobicContact CD2-CB 3.91Å; W447-R460 VanDerWaalsContact CE2-CB 3.45Å; W447-R460 HydrophobicContact CE3-CB 4.35Å; W447-R460 HydrophobicContact CG-CB 4.46Å; W447-R460 HydrophobicContact CH2-CB 3.98Å; W447-R460 HydrophobicContact CZ2-CB 3.51Å; W447-R460 HydrophobicContact CZ2-CG 4.33Å; W447-R460 HydrophobicContact CZ3-CB 4.38Å; W447-R460 PolarHBondContact N-O 3.24Å; W447-R460 PolarHBondContact O-N 2.98Å; W447-R462 HydrophobicContact CH2-CB 4.28Å; W447-R462 HydrophobicContact CZ3-CB 4.02Å; W447-L473 HydrophobicContact CB-CD1 4.24Å; W447-L473 HydrophobicContact CD2-CD1 4.18Å; W447-L473 HydrophobicContact CD2-CD2 3.97Å; W447-L473 HydrophobicContact CE3-CD1 4.39Å; W447-L473 HydrophobicContact CE3-CD2 3.69Å; W447-L473 HydrophobicContact CG-CD1 4.11Å; W447-L473 HydrophobicContact CH2-CD2 4.11Å; W447-L473 HydrophobicContact CZ2-CD2 4.33Å; W447-L473 HydrophobicContact CZ3-CD2 3.77Å; W447-R483 VanDerWaalsContact CA-O 3.28Å; W447-R483 WeakPolarHBondContact CA-O 3.42Å; W447-I484 HydrophobicContact CB-CG1 3.93Å
448	A	83.8	Confident	68.3	Low	21 Å²	21	66.9 Å²	66.9	17%	0.174	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	143.7	178.2	0	0	0	0	0	110.2	V459 Y482 R483	A448-V459 HydrophobicContact CB-CG2 4.04Å; A448-Y482 CarbonylContact O-C 3.55Å; A448-Y482 VanDerWaalsContact O-CA 3.28Å; A448-Y482 WeakPolarHBondContact O-CA 3.47Å; A448-R483 PolarHBondContact N-O 3.4Å; A448-R483 VanDerWaalsContact N-O 3.08Å; A448-R483 PolarHBondContact O-N 3.47Å
449	R	82.1	Confident	68.5	Low	61 Å²	61	67.8 Å²	67.8	23%	0.23	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	140.9	171.8	-172.4	-177.6	177.3	169.8	5.7	108.2	E451 E477 S480 Y482	R449-E451 HydrophobicContact CG-CB 4.46Å; R449-E451 IonicContact CZ-OE2 3.4Å; R449-E451 IonicContact NE-OE2 2.76Å; R449-E451 PolarHBondContact NE-OE2 3.13Å; R449-E451 IonicContact NH2-OE2 3.87Å; R449-E451 PolarHBondContact NH2-OE2 3.04Å; R449-E477 IonicContact CZ-OE2 3.38Å; R449-E477 VanDerWaalsContact CZ-OE2 3.31Å; R449-E477 IonicContact NH1-OE1 2.63Å; R449-E477 PolarHBondContact NH1-OE1 3.13Å; R449-E477 IonicContact NH1-OE2 3.23Å; R449-E477 PolarHBondContact NH1-OE2 3.22Å; R449-E477 IonicContact NH2-OE2 2.72Å; R449-S480 PolarHBondContact NH2-OG 3.02Å; R449-Y482 HydrophobicContact CB-CD1 4.28Å; R449-Y482 HydrophobicContact CB-CE1 3.93Å
450	M	71.4	Confident	69.3	Low	91 Å²	91	68.2 Å²	68.2	45%	0.448	39%	0.387	S	S	.	.			trans	-99.8	3.3	-175	-68.8	-77.1	-70.9	0	0	113.8	T481 R483	M450-T481 PolarHBondContact N-O 2.77Å; M450-R483 HydrophobicContact CG-CB 3.93Å; M450-R483 HydrophobicContact SD-CB 3.76Å
451	E	67.4	Low	69.9	Low	79 Å²	79	72.7 Å²	72.7	37%	0.369	41%	0.407	S	S	.	.	S	Bend	trans	-96.5	140.1	-179.9	-75.8	177.1	163.5	0	0	110.8	R449 S453	R449-E451 HydrophobicContact CG-CB 4.46Å; R449-E451 IonicContact CZ-OE2 3.4Å; R449-E451 IonicContact NE-OE2 2.76Å; R449-E451 PolarHBondContact NE-OE2 3.13Å; R449-E451 IonicContact NH2-OE2 3.87Å; R449-E451 PolarHBondContact NH2-OE2 3.04Å; E451-S453 PolarHBondContact O-N 3.08Å
452	P	50.6	Low	70.3	Confident	133 Å²	133	76 Å²	76	86%	0.864	41%	0.411	S	S	*	.			trans	-64.9	101.6	-177.7	26	-32.6	0	0	0	110.4
453	S	45.4	Very low	70.3	Confident	45 Å²	45	80 Å²	80	32%	0.315	43%	0.429	S	S	.	.			trans	-92.8	141.9	168.7	71.4	0	0	0	0	109.8	E451 T455 D457	E451-S453 PolarHBondContact O-N 3.08Å; S453-T455 PolarHBondContact O-N 3.04Å; S453-T455 PolarHBondContact OG-O 3.38Å; S453-D457 PolarHBondContact OG-OD1 3.29Å
454	L	43	Very low	70.4	Confident	190 Å²	190	80.1 Å²	80.1	100%	0.995	43%	0.431	S	S	*	.	S	Bend	trans	-66.4	1	177.9	-86.1	143.5	0	0	0	113.6
455	T	46.8	Very low	70	Confident	111 Å²	111	78.8 Å²	78.8	68%	0.681	43%	0.433	S	S	*	.	S	Bend	trans	-130.3	98.9	179.4	51.7	0	0	0	0	106.4	S453 D457	S453-T455 PolarHBondContact O-N 3.04Å; S453-T455 PolarHBondContact OG-O 3.38Å; T455-D457 PolarHBondContact O-N 3.32Å
456	G	44.8	Very low	69.5	Low	67 Å²	67	79.8 Å²	79.8	69%	0.691	44%	0.444	S	S	*	.			trans	-31	128.3	-169	0	0	0	0	0	115.3	T458	G456-T458 PolarHBondContact O-N 3.17Å
457	D	53	Low	69.1	Low	69 Å²	69	85 Å²	85	37%	0.369	47%	0.471	S	S	.	.			trans	-59.4	106	-172.7	-70.2	-38.7	0	0	0	111.3	S453 T455 V459	S453-D457 PolarHBondContact OG-OD1 3.29Å; T455-D457 PolarHBondContact O-N 3.32Å; D457-V459 PolarHBondContact O-N 2.82Å; D457-V459 VanDerWaalsContact O-N 3.16Å
458	T	60.6	Low	68.7	Low	108 Å²	108	87.9 Å²	87.9	66%	0.663	49%	0.485	S	S	*	.			trans	-71.2	108.8	175.5	52.1	0	0	0	0	109.6	G456 R460	G456-T458 PolarHBondContact O-N 3.17Å; T458-R460 PolarHBondContact O-N 3.21Å
459	V	72.6	Confident	68.5	Low	97 Å²	97	95.1 Å²	95.1	59%	0.588	51%	0.508	S	S	*	.			trans	-62	120.8	168.5	-177.4	0	0	0	0	108.3	A448 D457	A448-V459 HydrophobicContact CB-CG2 4.04Å; D457-V459 PolarHBondContact O-N 2.82Å; D457-V459 VanDerWaalsContact O-N 3.16Å
460	R	80.9	Confident	68.6	Low	130 Å²	130	93.1 Å²	93.1	49%	0.491	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	144.3	175	-65.1	-174.8	-175.1	168.8	5.2	109.8	T446 W447 T458	T446-R460 CarbonylContact C-O 3.04Å; T446-R460 VanDerWaalsContact CA-O 3.25Å; T446-R460 WeakPolarHBondContact CA-O 3.28Å; W447-R460 HydrophobicContact CD2-CB 3.91Å; W447-R460 VanDerWaalsContact CE2-CB 3.45Å; W447-R460 HydrophobicContact CE3-CB 4.35Å; W447-R460 HydrophobicContact CG-CB 4.46Å; W447-R460 HydrophobicContact CH2-CB 3.98Å; W447-R460 HydrophobicContact CZ2-CB 3.51Å; W447-R460 HydrophobicContact CZ2-CG 4.33Å; W447-R460 HydrophobicContact CZ3-CB 4.38Å; W447-R460 PolarHBondContact N-O 3.24Å; W447-R460 PolarHBondContact O-N 2.98Å; T458-R460 PolarHBondContact O-N 3.21Å
461	E	84.8	Confident	69.3	Low	112 Å²	112	89.3 Å²	89.3	52%	0.523	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	152.1	179.5	66.1	174.3	-135.6	0	0	113.1	K444 V445 T446	K444-E461 WeakPolarHBondContact CE-OE2 3.34Å; K444-E461 IonicContact NZ-OE1 2.61Å; K444-E461 IonicContact NZ-OE2 3.44Å; K444-E461 PolarHBondContact NZ-OE2 3.22Å; V445-E461 CarbonylContact O-C 3.33Å; V445-E461 WeakPolarHBondContact O-CA 3.33Å; T446-E461 HydrophobicContact CG2-CB 3.9Å
462	R	83.2	Confident	70.2	Confident	141 Å²	141	91 Å²	91	53%	0.532	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	133.3	173.2	-172.3	155	173.2	-160.9	6.6	111.1	V445 W447 I471	V445-R462 PolarHBondContact N-O 3.47Å; V445-R462 PolarHBondContact O-N 3.04Å; W447-R462 HydrophobicContact CH2-CB 4.28Å; W447-R462 HydrophobicContact CZ3-CB 4.02Å; R462-I471 HydrophobicContact CB-CD1 4.11Å; R462-I471 VanDerWaalsContact CD-CD1 3.45Å; R462-I471 HydrophobicContact CG-CD1 3.73Å
463	I	80.9	Confident	71.8	Confident	101 Å²	101	85 Å²	85	52%	0.518	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	136.2	175.1	-56.8	175	0	0	0	108.9	A442 Y443 K444 L489	A442-I463 HydrophobicContact CB-CG2 3.87Å; Y443-I463 CarbonylContact O-C 3.6Å; Y443-I463 WeakPolarHBondContact O-CA 3.33Å; K444-I463 HydrophobicContact CB-CG1 4.38Å; K444-I463 HydrophobicContact CG-CG1 4.4Å; I463-L489 HydrophobicContact CG2-CD1 4.32Å
464	V	83.4	Confident	73.6	Confident	15 Å²	15	86.1 Å²	86.1	9%	0.091	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	139.8	-178.4	-163.6	0	0	0	0	108.3	W434 A442 Y443 H468 I471	W434-V464 HydrophobicContact CH2-CB 4.39Å; W434-V464 HydrophobicContact CH2-CG2 4.12Å; W434-V464 HydrophobicContact CZ2-CB 4.27Å; W434-V464 HydrophobicContact CZ2-CG1 4.33Å; W434-V464 HydrophobicContact CZ2-CG2 4.5Å; A442-V464 CarbonylContact C-O 3.55Å; A442-V464 WeakPolarHBondContact CA-O 3.4Å; A442-V464 WeakPolarHBondContact CB-O 3.49Å; Y443-V464 PolarHBondContact N-O 3.2Å; Y443-V464 PolarHBondContact O-N 3.01Å; V464-H468 HydrophobicContact CG1-CB 3.34Å; V464-H468 VanDerWaalsContact CG1-CG 3.4Å; V464-I471 HydrophobicContact CG2-CB 4.4Å; V464-I471 HydrophobicContact CG2-CD1 3.76Å; V464-I471 HydrophobicContact CG2-CG1 4.45Å
465	G	76.9	Confident	75.3	Confident	28 Å²	28	83.6 Å²	83.6	29%	0.289	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	150.2	175.7	0	0	0	0	0	112.6	D467 H468	G465-D467 WeakPolarHBondContact CA-OD1 3.18Å; G465-D467 PolarHBondContact O-N 3.02Å; G465-H468 WeakPolarHBondContact O-CB 2.93Å; G465-H468 PolarHBondContact O-N 2.74Å
466	G	75.9	Confident	76.9	Confident	22 Å²	22	78.6 Å²	78.6	23%	0.227	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-15.8	-176.9	0	0	0	0	0	115.2	V440 T441 H468	V440-G466 VanDerWaalsContact O-CA 3.27Å; V440-G466 WeakPolarHBondContact O-CA 3.26Å; T441-G466 WeakPolarHBondContact O-CA 3.3Å; T441-G466 PolarHBondContact O-N 2.61Å; G466-H468 VanDerWaalsContact C-N 3.32Å
467	D	76.8	Confident	78.5	Confident	132 Å²	132	80 Å²	80	71%	0.706	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-22.2	171.9	60.8	-39.3	0	0	0	113.2	G465	G465-D467 WeakPolarHBondContact CA-OD1 3.18Å; G465-D467 PolarHBondContact O-N 3.02Å
468	H	78.3	Confident	79.6	Confident	93 Å²	93	80.1 Å²	80.1	43%	0.431	41%	0.406	S	S	.	.			trans	-79.2	143.9	177.3	-66.5	-92.7	0	0	0	112.3	W434 V464 G465 G466	W434-H468 PolarHBondContact NE1-O 3.44Å; V464-H468 HydrophobicContact CG1-CB 3.34Å; V464-H468 VanDerWaalsContact CG1-CG 3.4Å; G465-H468 WeakPolarHBondContact O-CB 2.93Å; G465-H468 PolarHBondContact O-N 2.74Å; G466-H468 VanDerWaalsContact C-N 3.32Å
469	R	79.5	Confident	80.3	Confident	172 Å²	172	82 Å²	82	65%	0.649	41%	0.405	S	S	*	.			trans	-110.8	14.5	179.4	-59.3	-173.7	-178	-173.7	-0.3	113.7	R433 W434	R433-R469 CarbonylContact C-O 3.18Å; R433-R469 VanDerWaalsContact CA-O 3.26Å; R433-R469 WeakPolarHBondContact CA-O 3.25Å; W434-R469 PolarHBondContact N-O 3.26Å
470	G	85.5	Confident	80.5	Confident	19 Å²	19	77.5 Å²	77.5	20%	0.196	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.7	164.8	-179.1	0	0	0	0	0	114.9	V432 W434	V432-G470 CarbonylContact O-C 3.49Å; V432-G470 WeakPolarHBondContact O-CA 3.28Å; W434-G470 VanDerWaalsContact CH2-CA 3.48Å; W434-G470 VanDerWaalsContact CZ3-CA 3.49Å
471	I	85.9	Confident	80.5	Confident	11 Å²	11	73.1 Å²	73.1	6%	0.056	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	147.4	175.6	-162.2	174.1	0	0	0	110.9	V432 W434 V445 R462 V464 L473	V432-I471 HydrophobicContact CB-CG2 4.18Å; V432-I471 PolarHBondContact N-O 3.01Å; V432-I471 PolarHBondContact O-N 2.95Å; W434-I471 HydrophobicContact CH2-CB 3.96Å; W434-I471 HydrophobicContact CH2-CG2 4.07Å; W434-I471 HydrophobicContact CZ3-CB 4.2Å; W434-I471 HydrophobicContact CZ3-CG2 3.88Å; V445-I471 HydrophobicContact CB-CG2 4.42Å; V445-I471 HydrophobicContact CG1-CG2 4.16Å; V445-I471 HydrophobicContact CG2-CG2 4.13Å; R462-I471 HydrophobicContact CB-CD1 4.11Å; R462-I471 VanDerWaalsContact CD-CD1 3.45Å; R462-I471 HydrophobicContact CG-CD1 3.73Å; V464-I471 HydrophobicContact CG2-CB 4.4Å; V464-I471 HydrophobicContact CG2-CD1 3.76Å; V464-I471 HydrophobicContact CG2-CG1 4.45Å; I471-L473 HydrophobicContact CG2-CD2 4.15Å
472	R	86.1	Confident	80.2	Confident	116 Å²	116	68.6 Å²	68.6	44%	0.438	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	120.5	170.3	-168.6	-178.8	178	167	0.4	109.9	L425 D429 T474	L425-R472 HydrophobicContact CD1-CG 4.4Å; D429-R472 IonicContact OD2-CZ 3.92Å; D429-R472 IonicContact OD2-NE 3.9Å; D429-R472 PolarHBondContact OD2-NE 3.49Å; D429-R472 IonicContact OD2-NH2 2.81Å; D429-R472 PolarHBondContact OD2-NH2 2.91Å; R472-T474 HydrophobicContact CG-CG2 3.87Å
473	L	84.3	Confident	80.2	Confident	5 Å²	5	67.6 Å²	67.6	3%	0.026	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	126.4	168.1	-52.2	-178.5	0	0	0	107.6	D429 I430 V432 W447 I471 L476 I484	D429-L473 WeakPolarHBondContact CA-O 3.27Å; I430-L473 PolarHBondContact N-O 3.43Å; I430-L473 PolarHBondContact O-N 2.8Å; V432-L473 HydrophobicContact CG2-CD1 4.06Å; V432-L473 HydrophobicContact CG2-CG 4.23Å; W447-L473 HydrophobicContact CB-CD1 4.24Å; W447-L473 HydrophobicContact CD2-CD1 4.18Å; W447-L473 HydrophobicContact CD2-CD2 3.97Å; W447-L473 HydrophobicContact CE3-CD1 4.39Å; W447-L473 HydrophobicContact CE3-CD2 3.69Å; W447-L473 HydrophobicContact CG-CD1 4.11Å; W447-L473 HydrophobicContact CH2-CD2 4.11Å; W447-L473 HydrophobicContact CZ2-CD2 4.33Å; W447-L473 HydrophobicContact CZ3-CD2 3.77Å; I471-L473 HydrophobicContact CG2-CD2 4.15Å; L473-L476 HydrophobicContact CB-CD1 3.98Å; L473-L476 HydrophobicContact CB-CG 4.45Å; L473-I484 HydrophobicContact CD1-CD1 3.76Å; L473-I484 HydrophobicContact CD1-CG1 4.14Å; L473-I484 HydrophobicContact CD1-CG2 4.21Å
474	T	83.3	Confident	80.3	Confident	69 Å²	69	62.8 Å²	62.8	42%	0.423	32%	0.315	S	S	.	.			trans	-126.6	162.6	-175.9	54.2	0	0	0	0	110.1	D429 R472 L476	D429-T474 WeakPolarHBondContact OD1-CA 3.06Å; R472-T474 HydrophobicContact CG-CG2 3.87Å; T474-L476 VanDerWaalsContact C-N 3.27Å; T474-L476 PolarHBondContact O-N 2.74Å
475	N	77.3	Confident	80.2	Confident	138 Å²	138	62.8 Å²	62.8	74%	0.738	32%	0.316	S	S	*	.	S	Bend	trans	57.5	38	-177.6	-60.2	-22.4	0	0	0	113
476	L	80.9	Confident	80.4	Confident	5 Å²	5	61.4 Å²	61.4	3%	0.026	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-81.4	146.5	169.6	-58	175.1	0	0	0	109.3	S428 I430 L473 T474 Y482 T508	S428-L476 VanDerWaalsContact CB-O 3.24Å; S428-L476 WeakPolarHBondContact CB-O 3.35Å; S428-L476 WeakPolarHBondContact O-CB 3.23Å; S428-L476 PolarHBondContact O-N 3.35Å; I430-L476 HydrophobicContact CB-CD1 4.06Å; I430-L476 HydrophobicContact CD1-CD1 3.57Å; I430-L476 HydrophobicContact CG1-CD1 3.71Å; L473-L476 HydrophobicContact CB-CD1 3.98Å; L473-L476 HydrophobicContact CB-CG 4.45Å; T474-L476 VanDerWaalsContact C-N 3.27Å; T474-L476 PolarHBondContact O-N 2.74Å; L476-Y482 HydrophobicContact CB-CD2 4.45Å; L476-Y482 HydrophobicContact CB-CE2 3.77Å; L476-Y482 HydrophobicContact CD1-CD2 4.47Å; L476-Y482 HydrophobicContact CD2-CD1 4.22Å; L476-Y482 HydrophobicContact CD2-CD2 4.5Å; L476-Y482 HydrophobicContact CD2-CE1 3.87Å; L476-Y482 HydrophobicContact CD2-CE2 4.15Å; L476-Y482 HydrophobicContact CG-CE2 4.38Å; L476-T508 HydrophobicContact CB-CG2 3.88Å; L476-T508 HydrophobicContact CD1-CG2 4.2Å
477	E	77.6	Confident	80.6	Confident	98 Å²	98	61.8 Å²	61.8	46%	0.458	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-66.6	134.6	177.5	-73.2	-172.7	-140.3	0	0	110.4	R449 S480 Y482 T508	R449-E477 IonicContact CZ-OE2 3.38Å; R449-E477 VanDerWaalsContact CZ-OE2 3.31Å; R449-E477 IonicContact NH1-OE1 2.63Å; R449-E477 PolarHBondContact NH1-OE1 3.13Å; R449-E477 IonicContact NH1-OE2 3.23Å; R449-E477 PolarHBondContact NH1-OE2 3.22Å; R449-E477 IonicContact NH2-OE2 2.72Å; E477-S480 WeakPolarHBondContact CB-OG 3.07Å; E477-Y482 PolarHBondContact N-OH 3.31Å; E477-T508 WeakPolarHBondContact O-CB 3.34Å; E477-T508 PolarHBondContact O-OG1 2.87Å
478	P	75.9	Confident	80.5	Confident	70 Å²	70	55.8 Å²	55.8	46%	0.455	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	143.9	177.9	28.4	-32.8	0	0	0	111	G427 S480	G427-P478 WeakPolarHBondContact O-CA 3.48Å; P478-S480 VanDerWaalsContact C-N 3.31Å
479	K	76.3	Confident	80.2	Confident	148 Å²	148	53.4 Å²	53.4	64%	0.643	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	29.7	-174.7	-53.2	-179.9	176.4	178.4	0	114.6	T508 A510	K479-T508 VanDerWaalsContact CA-O 3.31Å; K479-T508 WeakPolarHBondContact CA-O 3.46Å; K479-T508 PolarHBondContact N-O 3.43Å; K479-T508 PolarHBondContact N-OG1 2.96Å; K479-A510 HydrophobicContact CD-CB 4.45Å; K479-A510 HydrophobicContact CG-CB 4.13Å
480	S	77.1	Confident	79.4	Confident	3 Å²	3	49 Å²	49	2%	0.021	25%	0.246	C	C	.	.			trans	-115.8	143.5	178.4	-59.3	0	0	0	0	111.6	R449 E477 P478 T508	R449-S480 PolarHBondContact NH2-OG 3.02Å; E477-S480 WeakPolarHBondContact CB-OG 3.07Å; P478-S480 VanDerWaalsContact C-N 3.31Å; S480-T508 PolarHBondContact N-OG1 2.93Å; S480-T508 PolarHBondContact O-N 3.05Å; S480-T508 PolarHBondContact O-OG1 3.41Å
481	T	79.7	Confident	77.7	Confident	38 Å²	38	51.6 Å²	51.6	23%	0.233	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	123	175.7	-54.1	0	0	0	0	109.8	M450 E505 V507	M450-T481 PolarHBondContact N-O 2.77Å; T481-E505 HydrophobicContact CG2-CB 4.33Å; T481-V507 HydrophobicContact CG2-CG2 4.29Å
482	Y	79.4	Confident	75.8	Confident	17 Å²	17	58.7 Å²	58.7	7%	0.067	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	132.6	175.4	-72.7	-89.4	0	0	0	110.6	A448 R449 L476 E477 E505 A506 T508	A448-Y482 CarbonylContact O-C 3.55Å; A448-Y482 VanDerWaalsContact O-CA 3.28Å; A448-Y482 WeakPolarHBondContact O-CA 3.47Å; R449-Y482 HydrophobicContact CB-CD1 4.28Å; R449-Y482 HydrophobicContact CB-CE1 3.93Å; L476-Y482 HydrophobicContact CB-CD2 4.45Å; L476-Y482 HydrophobicContact CB-CE2 3.77Å; L476-Y482 HydrophobicContact CD1-CD2 4.47Å; L476-Y482 HydrophobicContact CD2-CD1 4.22Å; L476-Y482 HydrophobicContact CD2-CD2 4.5Å; L476-Y482 HydrophobicContact CD2-CE1 3.87Å; L476-Y482 HydrophobicContact CD2-CE2 4.15Å; L476-Y482 HydrophobicContact CG-CE2 4.38Å; E477-Y482 PolarHBondContact N-OH 3.31Å; Y482-E505 WeakPolarHBondContact O-CA 3.48Å; Y482-A506 PolarHBondContact N-O 3.34Å; Y482-A506 PolarHBondContact O-N 2.78Å; Y482-T508 HydrophobicContact CD2-CG2 4.11Å; Y482-T508 HydrophobicContact CE2-CG2 4.12Å
483	R	82.8	Confident	73.9	Confident	120 Å²	120	59.5 Å²	59.5	45%	0.453	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	116.1	166.3	-176.9	170.1	-178.3	159.7	1.2	108.5	W447 A448 M450	W447-R483 VanDerWaalsContact CA-O 3.28Å; W447-R483 WeakPolarHBondContact CA-O 3.42Å; A448-R483 PolarHBondContact N-O 3.4Å; A448-R483 VanDerWaalsContact N-O 3.08Å; A448-R483 PolarHBondContact O-N 3.47Å; M450-R483 HydrophobicContact CG-CB 3.93Å; M450-R483 HydrophobicContact SD-CB 3.76Å
484	I	82.4	Confident	72	Confident	0 Å²	0	66 Å²	66	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	126.1	-177.3	-53.6	167.7	0	0	0	108.8	F422 I430 V432 V445 T446 W447 L473 C503 T504 A506	F422-I484 HydrophobicContact CD1-CD1 4.31Å; F422-I484 HydrophobicContact CE1-CB 4.05Å; F422-I484 HydrophobicContact CE1-CD1 4.46Å; F422-I484 HydrophobicContact CE1-CG2 3.88Å; I430-I484 HydrophobicContact CD1-CD1 4.01Å; I430-I484 HydrophobicContact CG2-CD1 3.98Å; V432-I484 HydrophobicContact CG2-CD1 4.49Å; V432-I484 HydrophobicContact CG2-CG2 4.25Å; V445-I484 HydrophobicContact CG1-CG2 4.1Å; T446-I484 CarbonylContact O-C 3.13Å; T446-I484 VanDerWaalsContact O-CA 3.27Å; T446-I484 WeakPolarHBondContact O-CA 3.06Å; W447-I484 HydrophobicContact CB-CG1 3.93Å; L473-I484 HydrophobicContact CD1-CD1 3.76Å; L473-I484 HydrophobicContact CD1-CG1 4.14Å; L473-I484 HydrophobicContact CD1-CG2 4.21Å; I484-C503 CarbonylContact O-C 3.52Å; I484-C503 VanDerWaalsContact O-CA 3.3Å; I484-C503 WeakPolarHBondContact O-CA 3.38Å; I484-T504 PolarHBondContact N-O 2.87Å; I484-T504 PolarHBondContact O-N 3.08Å; I484-A506 HydrophobicContact CD1-CB 3.97Å
485	C	82.2	Confident	70.4	Confident	14 Å²	14	65.4 Å²	65.4	10%	0.095	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	136.4	176.6	-55.6	0	0	0	0	110.8	V445 T446 T501 L502 C503	V445-C485 CarbonylContact C-O 3.56Å; V445-C485 WeakPolarHBondContact CA-O 3.45Å; T446-C485 PolarHBondContact N-O 3.38Å; T446-C485 PolarHBondContact O-N 3.24Å; T446-C485 WeakPolarHBondContact OG1-CB 3.5Å; C485-T501 HydrophobicContact CB-CG2 4.09Å; C485-L502 WeakPolarHBondContact CA-O 3.38Å; C485-C503 HydrophobicContact CB-CB 4.09Å; C485-C503 WeakPolarHBondContact CB-SG 3.43Å; C485-C503 WeakPolarHBondContact SG-CB 3.29Å; C485-C503 CovalentContact SG-SG 2.04Å; C485-C503 PolarHBondContact SG-SG 2.9Å
486	V	81.5	Confident	68.9	Low	0 Å²	0	67.7 Å²	67.7	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	126.2	172.2	-177.3	0	0	0	0	108.6	L418 V420 V432 W434 Y443 V445 L502	L418-V486 HydrophobicContact CD2-CG1 4.33Å; V420-V486 HydrophobicContact CG1-CG2 3.86Å; V420-V486 HydrophobicContact CG2-CB 4.13Å; V420-V486 HydrophobicContact CG2-CG2 4.32Å; V432-V486 HydrophobicContact CG1-CG2 3.81Å; W434-V486 HydrophobicContact CD2-CG1 4.25Å; W434-V486 HydrophobicContact CE3-CG1 4.09Å; W434-V486 HydrophobicContact CE3-CG2 4.3Å; W434-V486 HydrophobicContact CG-CG1 4.49Å; Y443-V486 HydrophobicContact CD1-CG1 4.15Å; V445-V486 HydrophobicContact CG1-CG2 4.37Å; V445-V486 HydrophobicContact CG2-CG1 4.4Å; V445-V486 HydrophobicContact CG2-CG2 4.26Å; V486-L502 PolarHBondContact N-O 3.08Å; V486-L502 PolarHBondContact O-N 3.47Å
487	I	80.1	Confident	67.2	Low	30 Å²	30	72.1 Å²	72.1	15%	0.154	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	118.2	-175.1	-56	160.4	0	0	0	108.1	Y443 K444 L489 Y495 T501	Y443-I487 CarbonylContact C-O 3.13Å; Y443-I487 VanDerWaalsContact CA-O 3.31Å; Y443-I487 WeakPolarHBondContact CA-O 3.33Å; K444-I487 HydrophobicContact CB-CB 4.24Å; K444-I487 HydrophobicContact CD-CD1 4.47Å; K444-I487 HydrophobicContact CG-CD1 4.43Å; K444-I487 PolarHBondContact N-O 3.39Å; K444-I487 PolarHBondContact O-N 2.97Å; I487-L489 HydrophobicContact CG2-CD2 4.39Å; I487-Y495 HydrophobicContact CG2-CD1 4.15Å; I487-Y495 HydrophobicContact CG2-CE1 3.59Å; I487-T501 HydrophobicContact CG1-CG2 3.76Å
488	P	75.1	Confident	65.8	Low	6 Å²	6	77 Å²	77	4%	0.039	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	140.5	171.6	30.8	-30.8	0	0	0	110.8	F438 V440 Y443 D500	F438-P488 HydrophobicContact CE2-CB 4.06Å; F438-P488 HydrophobicContact CE2-CG 4.33Å; F438-P488 HydrophobicContact CZ-CB 4.06Å; F438-P488 HydrophobicContact CZ-CG 3.96Å; V440-P488 HydrophobicContact CG1-CB 3.85Å; V440-P488 HydrophobicContact CG2-CB 3.96Å; Y443-P488 HydrophobicContact CD1-CB 4.2Å; Y443-P488 HydrophobicContact CE1-CB 4.14Å; P488-D500 HydrophobicContact CG-CB 4.32Å
489	L	70.5	Confident	64.5	Low	42 Å²	42	79.2 Å²	79.2	22%	0.22	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	131.5	176.9	-55.6	174.5	0	0	0	109.5	V440 T441 A442 K444 I463 I487	V440-L489 WeakPolarHBondContact CG1-O 3.28Å; T441-L489 PolarHBondContact N-O 3.18Å; T441-L489 PolarHBondContact OG1-O 3.26Å; A442-L489 HydrophobicContact CB-CB 4.26Å; A442-L489 HydrophobicContact CB-CD1 4.08Å; A442-L489 PolarHBondContact N-O 3.25Å; A442-L489 WeakPolarHBondContact O-CA 2.85Å; A442-L489 VanDerWaalsContact O-CB 3.27Å; A442-L489 WeakPolarHBondContact O-CB 3.27Å; A442-L489 PolarHBondContact O-N 2.81Å; K444-L489 HydrophobicContact CB-CD1 4.14Å; K444-L489 HydrophobicContact CB-CG 4.43Å; I463-L489 HydrophobicContact CG2-CD1 4.32Å; I487-L489 HydrophobicContact CG2-CD2 4.39Å
490	D	63.8	Low	63.4	Low	80 Å²	80	74.8 Å²	74.8	43%	0.428	37%	0.373	S	S	.	.			trans	-111.4	153.5	175.7	-171.6	17.9	0	0	0	111.2	F492 N493	D490-F492 PolarHBondContact O-N 2.84Å; D490-N493 PolarHBondContact O-N 2.79Å
491	A	48.9	Very low	62.7	Low	74 Å²	74	76.7 Å²	76.7	61%	0.612	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-21.9	-176.5	0	0	0	0	0	113.9	T441	T441-A491 HydrophobicContact CG2-CB 3.93Å
492	F	45.9	Very low	62.2	Low	159 Å²	159	77.4 Å²	77.4	70%	0.697	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	4.6	-177.8	-60.8	-77.1	0	0	0	113.7	D490 N494	D490-F492 PolarHBondContact O-N 2.84Å; F492-N494 PolarHBondContact O-N 2.78Å
493	N	47.5	Very low	62.1	Low	133 Å²	133	78.9 Å²	78.9	71%	0.711	40%	0.399	S	S	*	.			trans	53	26	178	-135.1	20.8	0	0	0	114.7	D490 Y495	D490-N493 PolarHBondContact O-N 2.79Å; N493-Y495 PolarHBondContact O-N 2.93Å
494	N	44.8	Very low	61.6	Low	142 Å²	142	75.3 Å²	75.3	76%	0.759	39%	0.391	S	S	*	.			trans	-77.1	54.8	177.6	-81	-22.8	0	0	0	111.9	F492	F492-N494 PolarHBondContact O-N 2.78Å
495	Y	47.8	Very low	61.5	Low	57 Å²	57	81.2 Å²	81.2	22%	0.224	42%	0.418	C	S	.	.			trans	-107.6	125.9	-174.5	-172.4	-117.8	0	0	0	113.6	I487 N493 P497 D500 T501	I487-Y495 HydrophobicContact CG2-CD1 4.15Å; I487-Y495 HydrophobicContact CG2-CE1 3.59Å; N493-Y495 PolarHBondContact O-N 2.93Å; Y495-P497 HydrophobicContact CE1-CB 4.36Å; Y495-D500 HydrophobicContact CE2-CB 3.79Å; Y495-T501 WeakPolarHBondContact OH-CA 3.47Å; Y495-T501 WeakPolarHBondContact OH-CB 3.47Å; Y495-T501 PolarHBondContact OH-N 3.07Å; Y495-T501 PolarHBondContact OH-OG1 2.87Å
496	R	47.5	Very low	61	Low	186 Å²	186	81 Å²	81	70%	0.702	42%	0.418	S	S	*	.			trans	-98.9	111.2	170.5	-73.5	-175.2	178.1	-175.4	-1.4	109.4	K498 D499	R496-K498 PolarHBondContact O-N 2.98Å; R496-D499 PolarHBondContact O-N 3.28Å
497	P	45.3	Very low	60.8	Low	98 Å²	98	84.8 Å²	84.8	64%	0.636	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-16	-171	-26.7	34.2	0	0	0	117.4	Y495 T501	Y495-P497 HydrophobicContact CE1-CB 4.36Å; P497-T501 PolarHBondContact O-OG1 2.89Å
498	K	46.3	Very low	60.6	Low	199 Å²	199	83.4 Å²	83.4	87%	0.865	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-22.6	-173.4	-72.9	-177.7	178.2	173.4	0	114.6	R496	R496-K498 PolarHBondContact O-N 2.98Å
499	D	50.1	Low	60.2	Low	117 Å²	117	86.3 Å²	86.3	63%	0.626	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	-29.8	-168.5	-67.4	-32.5	0	0	0	114.2	R496	R496-D499 PolarHBondContact O-N 3.28Å
500	D	51.7	Low	59.5	Low	56 Å²	56	86.6 Å²	86.6	30%	0.299	46%	0.459	S	S	.	.	S	Bend	trans	-120.6	9.5	-178.7	-33	-71.9	0	0	0	115.8	P488 Y495	P488-D500 HydrophobicContact CG-CB 4.32Å; Y495-D500 HydrophobicContact CE2-CB 3.79Å
501	T	63.9	Low	58.8	Low	43 Å²	43	85.5 Å²	85.5	26%	0.264	46%	0.462	S	S	.	.			trans	-85.6	114.4	174	-52.4	0	0	0	0	108.3	C485 I487 Y495 P497	C485-T501 HydrophobicContact CB-CG2 4.09Å; I487-T501 HydrophobicContact CG1-CG2 3.76Å; Y495-T501 WeakPolarHBondContact OH-CA 3.47Å; Y495-T501 WeakPolarHBondContact OH-CB 3.47Å; Y495-T501 PolarHBondContact OH-N 3.07Å; Y495-T501 PolarHBondContact OH-OG1 2.87Å; P497-T501 PolarHBondContact O-OG1 2.89Å
502	L	69.3	Low	58.4	Low	53 Å²	53	91.3 Å²	91.3	28%	0.277	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	106.9	172.2	-157.2	80	0	0	0	109.9	V420 C485 V486	V420-L502 HydrophobicContact CB-CD2 3.75Å; V420-L502 HydrophobicContact CG2-CB 4.11Å; V420-L502 HydrophobicContact CG2-CD2 3.65Å; C485-L502 WeakPolarHBondContact CA-O 3.38Å; V486-L502 PolarHBondContact N-O 3.08Å; V486-L502 PolarHBondContact O-N 3.47Å
503	C	76.6	Confident	58	Low	47 Å²	47	92.7 Å²	92.7	32%	0.318	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	136.1	171.7	-62.6	0	0	0	0	110.6	I484 C485	I484-C503 CarbonylContact O-C 3.52Å; I484-C503 VanDerWaalsContact O-CA 3.3Å; I484-C503 WeakPolarHBondContact O-CA 3.38Å; C485-C503 HydrophobicContact CB-CB 4.09Å; C485-C503 WeakPolarHBondContact CB-SG 3.43Å; C485-C503 WeakPolarHBondContact SG-CB 3.29Å; C485-C503 CovalentContact SG-SG 2.04Å; C485-C503 PolarHBondContact SG-SG 2.9Å
504	T	72.9	Confident	57	Low	45 Å²	45	91.5 Å²	91.5	28%	0.276	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	155.1	171.6	65.3	0	0	0	0	110.7	F422 I484	F422-T504 HydrophobicContact CD2-CG2 4.35Å; F422-T504 WeakPolarHBondContact CD2-OG1 3.38Å; F422-T504 WeakPolarHBondContact CE1-OG1 3.4Å; F422-T504 HydrophobicContact CE2-CG2 3.64Å; F422-T504 WeakPolarHBondContact CE2-OG1 3.44Å; F422-T504 HydrophobicContact CZ-CG2 4.13Å; F422-T504 WeakPolarHBondContact CZ-OG1 3.33Å; I484-T504 PolarHBondContact N-O 2.87Å; I484-T504 PolarHBondContact O-N 3.08Å
505	E	79.6	Confident	56.3	Low	124 Å²	124	89.6 Å²	89.6	58%	0.579	48%	0.477	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95	130.8	173.7	-66.1	176	179.7	0	0	109.3	T481 Y482	T481-E505 HydrophobicContact CG2-CB 4.33Å; Y482-E505 WeakPolarHBondContact O-CA 3.48Å
506	A	72.3	Confident	55.5	Low	10 Å²	10	93.7 Å²	93.7	8%	0.083	50%	0.503	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	129.8	177.2	0	0	0	0	0	109.3	I430 Y482 I484	I430-A506 HydrophobicContact CD1-CB 3.75Å; Y482-A506 PolarHBondContact N-O 3.34Å; Y482-A506 PolarHBondContact O-N 2.78Å; I484-A506 HydrophobicContact CD1-CB 3.97Å
507	V	76.8	Confident	54.6	Low	79 Å²	79	90 Å²	90	48%	0.479	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	124.1	179.1	-175.3	0	0	0	0	108	I424 T481	I424-V507 VanDerWaalsContact CD1-O 3.32Å; I424-V507 WeakPolarHBondContact CD1-O 3.36Å; T481-V507 HydrophobicContact CG2-CG2 4.29Å
508	T	76	Confident	54.6	Low	2 Å²	2	92.5 Å²	92.5	1%	0.012	51%	0.505	C	S	.	.	P	Polyproline II helix	trans	-71	135.4	171.5	55.9	0	0	0	0	109.3	I430 L476 E477 K479 S480 Y482	I430-T508 HydrophobicContact CD1-CG2 4.03Å; I430-T508 HydrophobicContact CG1-CG2 4.42Å; L476-T508 HydrophobicContact CB-CG2 3.88Å; L476-T508 HydrophobicContact CD1-CG2 4.2Å; E477-T508 WeakPolarHBondContact O-CB 3.34Å; E477-T508 PolarHBondContact O-OG1 2.87Å; K479-T508 VanDerWaalsContact CA-O 3.31Å; K479-T508 WeakPolarHBondContact CA-O 3.46Å; K479-T508 PolarHBondContact N-O 3.43Å; K479-T508 PolarHBondContact N-OG1 2.96Å; S480-T508 PolarHBondContact N-OG1 2.93Å; S480-T508 PolarHBondContact O-N 3.05Å; S480-T508 PolarHBondContact O-OG1 3.41Å; Y482-T508 HydrophobicContact CD2-CG2 4.11Å; Y482-T508 HydrophobicContact CE2-CG2 4.12Å
509	T	65.8	Low	54.6	Low	66 Å²	66	90 Å²	90	41%	0.405	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-78	158.5	-179.9	49.1	0	0	0	0	111.1	G427 A511	G427-T509 CarbonylContact C-O 3.54Å; G427-T509 WeakPolarHBondContact CA-O 3.33Å; T509-A511 PolarHBondContact O-N 3.16Å
510	A	57	Low	53.9	Low	48 Å²	48	92.9 Å²	92.9	40%	0.397	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-54.5	134.7	171.7	0	0	0	0	0	109.4	K479 F512	K479-A510 HydrophobicContact CD-CB 4.45Å; K479-A510 HydrophobicContact CG-CB 4.13Å; A510-F512 PolarHBondContact O-N 2.04Å
511	A	49.6	Very low	53.3	Low	57 Å²	57	102.7 Å²	102.7	47%	0.471	54%	0.536	S	S	.	.			trans	-53	110.5	172.5	0	0	0	0	0	108.3	T509 F513	T509-A511 PolarHBondContact O-N 3.16Å; A511-F513 VanDerWaalsContact C-N 3.28Å; A511-F513 PolarHBondContact O-N 2.92Å
512	F	39.3	Very low	52.1	Low	197 Å²	197	111 Å²	111	86%	0.864	56%	0.563	S	S	*	*			trans	-67.1	96.1	169.7	-101.7	-88.6	0	0	0	106.7	A510 S514	A510-F512 PolarHBondContact O-N 2.04Å; F512-S514 PolarHBondContact O-N 2.81Å
513	F	37.1	Very low	50.3	Low	188 Å²	188	112.5 Å²	112.5	83%	0.825	58%	0.577	S	S	*	*			trans	-66.1	89	154	-82.3	-88.1	0	0	0	106.8	A511 P515	A511-F513 VanDerWaalsContact C-N 3.28Å; A511-F513 PolarHBondContact O-N 2.92Å; F513-P515 WeakPolarHBondContact O-CD 3.34Å
514	S	27.1	Very low	47.7	Very low	108 Å²	108	113.4 Å²	113.4	76%	0.755	60%	0.595	S	S	*	*			trans	-84.9	111.4	142.6	-94.6	0	0	0	0	106.5	F512	F512-S514 PolarHBondContact O-N 2.81Å
515	P	31	Very low	46.4	Very low	101 Å²	101	116.7 Å²	116.7	66%	0.656	62%	0.617	S	S	*	*			trans	-75.9	142.4	175.2	30.4	-29.8	0	0	0	110.5	F513	F513-P515 WeakPolarHBondContact O-CD 3.34Å
516	D	30.1	Very low	43.9	Very low	144 Å²	144	118.8 Å²	118.8	77%	0.77	63%	0.626	S	S	*	*			trans	76.9	134.3	164	-64.2	-7.6	0	0	0	117.7
517	N	29.7	Very low	41.9	Very low	109 Å²	109	126.4 Å²	126.4	58%	0.583	66%	0.66	S	S	*	*			cis	-166.6	135.1	24.7	-137.9	-31.6	0	0	0	109.6
518	N	44.8	Very low	39.5	Very low	150 Å²	150	126.6 Å²	126.6	80%	0.802	67%	0.67	S	S	*	*	S	Bend	trans	-88	118.8	147.2	-104	-13	0	0	0	107.1
519	N	46.4	Very low	37.2	Very low	146 Å²	146	133.5 Å²	133.5	78%	0.781	71%	0.712	S	S	*	*			trans	81.1	82.8	157.5	-60.3	-24.1	0	0	0	119.3
520	R	35	Very low	35.2	Very low	178 Å²	178	139.1 Å²	139.1	67%	0.672	73%	0.734	S	S	*	*			trans	-97	128.2	133.4	-96.4	-178.4	-178.7	-179.1	4.9	108.8	S523	R520-S523 VanDerWaalsContact NE-N 3.17Å
521	R	39.1	Very low	34.8	Very low	261 Å²	261	142 Å²	142	99%	0.985	75%	0.748	S	S	*	*	S	Bend		-99	101.8	106.9	-99.5	-174.3	178.2	-178.3	1.1	107.7
522	R	39.4	Very low	33.6	Very low	219 Å²	219	148.5 Å²	148.5	83%	0.826	77%	0.769	S	S	*	*	S	Bend	trans	55.9	122	162.4	-83.4	179.7	170.2	178.2	-4.2	120.8
523	S	30.1	Very low	33.1	Very low	84 Å²	84	144.5 Å²	144.5	59%	0.587	77%	0.766	S	S	*	*			trans	54.9	126.6	147	47.1	0	0	0	0	119.9	R520	R520-S523 VanDerWaalsContact NE-N 3.17Å
524	G	23.6	Very low	32.7	Very low	66 Å²	66	139 Å²	139	68%	0.68	76%	0.762	S	S	*	*			trans	-72.4	-155.8	172.3	0	0	0	0	0	113.8
525	P	43.9	Very low	33.2	Very low	114 Å²	114	139.3 Å²	139.3	74%	0.74	77%	0.765	S	S	*	*			cis	-143.1	174.3	28.8	40.2	-19.3	0	0	0	118.3
526	E	28.6	Very low	33.7	Very low	167 Å²	167	140.7 Å²	140.7	78%	0.78	77%	0.773	S	S	*	*			trans	86.7	133.8	132.4	-95.2	173.5	152.8	0	0	126.9
527	Q	28.9	Very low	34	Very low	171 Å²	171	141.5 Å²	141.5	80%	0.799	78%	0.777	S	S	*	*			trans	107.1	103.2	142.2	-80.5	173.9	-2.2	0	0	123.3
528	A	27.5	Very low	34.6	Very low	82 Å²	82	143.8 Å²	143.8	68%	0.678	79%	0.788	S	S	*	*				82.8	129.9	115.5	0	0	0	0	0	125.4
529	T	27	Very low	34.3	Very low	147 Å²	147	145.2 Å²	145.2	90%	0.902	80%	0.795	S	S	*	*			trans	84	137.9	138.2	39.9	0	0	0	0	124.5
530	Q	24.4	Very low	33.9	Very low	184 Å²	184	143.4 Å²	143.4	86%	0.86	80%	0.8	S	S	*	*			trans	-75.2	-162	179	-65.5	-172.7	-32.3	0	0	114.6
531	P	47.5	Very low	34.5	Very low	108 Å²	108	138.3 Å²	138.3	70%	0.701	80%	0.803	S	S	*	*				-127.1	172.5	-66.3	35.3	-18.5	0	0	0	112.6
532	E	25	Very low	34.9	Very low	194 Å²	194	133.7 Å²	133.7	91%	0.907	80%	0.797	S	S	*	*			trans	-170.7	166	146	-113.8	-177.8	-160	0	0	116.7
533	S	29.7	Very low	35.5	Very low	113 Å²	113	130.4 Å²	130.4	79%	0.79	79%	0.794	S	S	*	*			trans	-85.7	164.9	-163.3	51.5	0	0	0	0	116.1
534	G	27.2	Very low	36.3	Very low	73 Å²	73	128.9 Å²	128.9	75%	0.753	79%	0.792	S	S	*	*			trans	160.1	112.4	161.4	0	0	0	0	0	116.4
535	S	38.5	Very low	37.4	Very low	115 Å²	115	128 Å²	128	80%	0.804	78%	0.783	S	S	*	*			trans	-56.1	162.5	167.3	-26.1	0	0	0	0	112.9
536	P	40.8	Very low	37.7	Very low	129 Å²	129	125.7 Å²	125.7	84%	0.838	77%	0.773	S	S	*	*				-146	133.3	92.5	33.2	-14.5	0	0	0	115.6
537	L	36	Very low	39.1	Very low	162 Å²	162	122.2 Å²	122.2	85%	0.848	76%	0.763	S	S	*	*			trans	-77.4	158	147.9	-95.6	153.9	0	0	0	109.2
538	L	42	Very low	40.6	Very low	157 Å²	157	119.6 Å²	119.6	82%	0.822	75%	0.753	S	S	*	*			trans	92.7	90	168.8	-53.4	177.4	0	0	0	116.9
539	L	38.8	Very low	42.4	Very low	180 Å²	180	120.2 Å²	120.2	94%	0.942	75%	0.749	S	S	*	*	S	Bend		-176.1	76.9	129.1	-128.3	77.4	0	0	0	112.5
540	A	38.2	Very low	44.5	Very low	108 Å²	108	117.4 Å²	117.4	89%	0.893	73%	0.731	S	S	*	*			trans	-161.5	27.6	162.5	0	0	0	0	0	113.7
541	G	49.1	Very low	46.6	Very low	70 Å²	70	113.6 Å²	113.6	72%	0.722	72%	0.716	S	S	*	*			trans	-111.4	98.6	168.4	0	0	0	0	0	107.6
542	L	46.6	Very low	48	Very low	165 Å²	165	112.4 Å²	112.4	86%	0.864	71%	0.707	S	S	*	*	S	Bend	trans	176.5	-4.1	154.9	-96.8	160.5	0	0	0	114.3
543	I	51.9	Low	50.5	Low	149 Å²	149	106.7 Å²	106.7	76%	0.764	69%	0.685	S	S	*	*	S	Bend	trans	-106.5	-19.3	176.9	-58.1	174.6	0	0	0	113
544	G	46.2	Very low	52.8	Low	53 Å²	53	106.6 Å²	106.6	55%	0.546	68%	0.675	S	S	.	*	H	α-helix	trans	-80.2	-21.3	178.4	0	0	0	0	0	115.7
545	G	48	Very low	55	Low	48 Å²	48	107.9 Å²	107.9	50%	0.495	66%	0.664	S	S	.	*	H	α-helix	trans	-79.9	-32.4	-176.4	0	0	0	0	0	114.1	V549	G545-V549 WeakPolarHBondContact O-CG2 3.35Å; G545-V549 PolarHBondContact O-N 3.06Å
546	A	50.7	Low	56.7	Low	64 Å²	64	105.7 Å²	105.7	53%	0.529	65%	0.649	S	S	.	*	H	α-helix	trans	-72.7	-32.5	-176.3	0	0	0	0	0	112.7	V550	A546-V550 VanDerWaalsContact O-CG2 3.29Å; A546-V550 WeakPolarHBondContact O-CG2 3.32Å; A546-V550 PolarHBondContact O-N 2.82Å
547	V	56.8	Low	58.3	Low	95 Å²	95	103.9 Å²	103.9	58%	0.576	63%	0.631	S	S	*	*	H	α-helix	trans	-70	-38.5	-179.8	-178.4	0	0	0	0	111.2	L551	V547-L551 WeakPolarHBondContact O-CB 3.43Å; V547-L551 PolarHBondContact O-N 3.31Å; V547-L551 VanDerWaalsContact O-N 3.1Å
548	I	60.6	Low	60.1	Low	115 Å²	115	102.6 Å²	102.6	59%	0.59	62%	0.619	S	S	*	*	H	α-helix	trans	-69.4	-41	-179.1	-65	173.4	0	0	0	110.9	L551 V552	I548-L551 PolarHBondContact O-N 3.05Å; I548-V552 HydrophobicContact CG2-CG2 4.44Å; I548-V552 VanDerWaalsContact O-CG2 3.31Å; I548-V552 WeakPolarHBondContact O-CG2 3.48Å; I548-V552 PolarHBondContact O-N 3.06Å
549	V	65	Low	61.3	Low	95 Å²	95	99 Å²	99	58%	0.576	61%	0.606	S	S	*	*	H	α-helix	trans	-66.7	-40.1	179.2	176.6	0	0	0	0	111.2	G545 L551 V553	G545-V549 WeakPolarHBondContact O-CG2 3.35Å; G545-V549 PolarHBondContact O-N 3.06Å; V549-L551 VanDerWaalsContact C-N 3.33Å; V549-L551 PolarHBondContact O-N 3.03Å; V549-V553 HydrophobicContact CG1-CG2 4.47Å; V549-V553 WeakPolarHBondContact O-CB 3.46Å; V549-V553 WeakPolarHBondContact O-CG2 3.02Å; V549-V553 PolarHBondContact O-N 2.83Å
550	V	71.4	Confident	62.9	Low	89 Å²	89	98.6 Å²	98.6	54%	0.539	59%	0.592	S	S	.	*	H	α-helix	trans	-64.9	-38.4	176.5	173.1	0	0	0	0	111.4	A546 V553 L554	A546-V550 VanDerWaalsContact O-CG2 3.29Å; A546-V550 WeakPolarHBondContact O-CG2 3.32Å; A546-V550 PolarHBondContact O-N 2.82Å; V550-V553 PolarHBondContact O-N 3.43Å; V550-L554 HydrophobicContact CG1-CD1 3.98Å; V550-L554 WeakPolarHBondContact O-CB 3Å; V550-L554 WeakPolarHBondContact O-CG 3.24Å; V550-L554 PolarHBondContact O-N 2.67Å
551	L	68.8	Low	64.1	Low	103 Å²	103	98.7 Å²	98.7	54%	0.539	57%	0.574	S	S	.	*	H	α-helix	trans	-72	-38	-178.4	-151.1	139.8	0	0	0	112.1	V547 I548 V549 L554 L555	V547-L551 WeakPolarHBondContact O-CB 3.43Å; V547-L551 PolarHBondContact O-N 3.31Å; V547-L551 VanDerWaalsContact O-N 3.1Å; I548-L551 PolarHBondContact O-N 3.05Å; V549-L551 VanDerWaalsContact C-N 3.33Å; V549-L551 PolarHBondContact O-N 3.03Å; L551-L554 PolarHBondContact O-N 3.36Å; L551-L555 HydrophobicContact CD2-CD1 3.98Å; L551-L555 WeakPolarHBondContact O-CB 3.43Å; L551-L555 PolarHBondContact O-N 2.85Å
552	V	77.3	Confident	64.6	Low	84 Å²	84	100.2 Å²	100.2	51%	0.509	56%	0.563	S	S	.	*	H	α-helix	trans	-66.6	-40.5	173.5	172.9	0	0	0	0	111.2	I548 L555 S556	I548-V552 HydrophobicContact CG2-CG2 4.44Å; I548-V552 VanDerWaalsContact O-CG2 3.31Å; I548-V552 WeakPolarHBondContact O-CG2 3.48Å; I548-V552 PolarHBondContact O-N 3.06Å; V552-L555 PolarHBondContact O-N 2.87Å; V552-S556 WeakPolarHBondContact O-CB 3.3Å; V552-S556 PolarHBondContact O-N 2.83Å; V552-S556 PolarHBondContact O-OG 3.11Å
553	V	77	Confident	65.1	Low	73 Å²	73	99.3 Å²	99.3	44%	0.442	55%	0.554	S	S	.	*	H	α-helix	trans	-66.8	-41	177.7	171.6	0	0	0	0	111.3	V549 V550 S556 I557	V549-V553 HydrophobicContact CG1-CG2 4.47Å; V549-V553 WeakPolarHBondContact O-CB 3.46Å; V549-V553 WeakPolarHBondContact O-CG2 3.02Å; V549-V553 PolarHBondContact O-N 2.83Å; V550-V553 PolarHBondContact O-N 3.43Å; V553-S556 PolarHBondContact O-N 3Å; V553-I557 HydrophobicContact CG1-CD1 3.8Å; V553-I557 VanDerWaalsContact O-CG1 3.27Å; V553-I557 WeakPolarHBondContact O-CG1 3.42Å; V553-I557 PolarHBondContact O-N 2.73Å
554	L	77.7	Confident	64.9	Low	111 Å²	111	99.4 Å²	99.4	58%	0.581	55%	0.549	S	S	*	.	H	α-helix	trans	-64.9	-41.2	176.1	-75.8	170.4	0	0	0	112.5	V550 L551 S556 I557 F558	V550-L554 HydrophobicContact CG1-CD1 3.98Å; V550-L554 WeakPolarHBondContact O-CB 3Å; V550-L554 WeakPolarHBondContact O-CG 3.24Å; V550-L554 PolarHBondContact O-N 2.67Å; L551-L554 PolarHBondContact O-N 3.36Å; L554-S556 VanDerWaalsContact C-N 3.34Å; L554-I557 PolarHBondContact O-N 2.79Å; L554-F558 WeakPolarHBondContact O-CB 3.44Å; L554-F558 PolarHBondContact O-N 3.04Å
555	L	74.3	Confident	64.8	Low	101 Å²	101	104.4 Å²	104.4	53%	0.529	56%	0.556	S	S	.	*	H	α-helix	trans	-64.5	-38.8	174.2	-101.9	155	0	0	0	112.2	L551 V552 F558 C559	L551-L555 HydrophobicContact CD2-CD1 3.98Å; L551-L555 WeakPolarHBondContact O-CB 3.43Å; L551-L555 PolarHBondContact O-N 2.85Å; V552-L555 PolarHBondContact O-N 2.87Å; L555-F558 PolarHBondContact O-N 3.29Å; L555-C559 WeakPolarHBondContact O-CB 3.39Å; L555-C559 PolarHBondContact O-N 2.74Å; L555-C559 PolarHBondContact O-SG 3.08Å
556	S	73.9	Confident	64.6	Low	69 Å²	69	106.6 Å²	106.6	48%	0.483	56%	0.564	S	S	.	*	H	α-helix	trans	-65.1	-41.7	177.4	-54.9	0	0	0	0	111.7	V552 V553 L554 W560	V552-S556 WeakPolarHBondContact O-CB 3.3Å; V552-S556 PolarHBondContact O-N 2.83Å; V552-S556 PolarHBondContact O-OG 3.11Å; V553-S556 PolarHBondContact O-N 3Å; L554-S556 VanDerWaalsContact C-N 3.34Å; S556-W560 WeakPolarHBondContact O-CB 3.28Å; S556-W560 PolarHBondContact O-N 2.87Å
557	I	75.1	Confident	64.4	Low	91 Å²	91	111.8 Å²	111.8	47%	0.467	58%	0.577	S	S	.	*	H	α-helix	trans	-67.8	-38.5	176.4	-67.1	165.5	0	0	0	110.7	V553 L554 W560 H561	V553-I557 HydrophobicContact CG1-CD1 3.8Å; V553-I557 VanDerWaalsContact O-CG1 3.27Å; V553-I557 WeakPolarHBondContact O-CG1 3.42Å; V553-I557 PolarHBondContact O-N 2.73Å; L554-I557 PolarHBondContact O-N 2.79Å; I557-W560 PolarHBondContact O-N 3.4Å; I557-H561 WeakPolarHBondContact O-CB 3.2Å; I557-H561 PolarHBondContact O-N 2.86Å
558	F	73.6	Confident	63.3	Low	135 Å²	135	111.8 Å²	111.8	59%	0.592	58%	0.581	S	S	*	*	H	α-helix	trans	-66.6	-44.9	177.2	-165.2	-94.7	0	0	0	112	L554 L555 W560 H561 M562	L554-F558 WeakPolarHBondContact O-CB 3.44Å; L554-F558 PolarHBondContact O-N 3.04Å; L555-F558 PolarHBondContact O-N 3.29Å; F558-W560 VanDerWaalsContact C-N 3.34Å; F558-W560 PolarHBondContact O-N 3.02Å; F558-H561 PolarHBondContact O-N 3.03Å; F558-M562 HydrophobicContact CD1-CG 4.18Å; F558-M562 HydrophobicContact CE1-CG 3.91Å; F558-M562 HydrophobicContact CE1-SD 4.43Å; F558-M562 HydrophobicContact CZ-CG 4.39Å; F558-M562 WeakPolarHBondContact O-CG 3.31Å; F558-M562 PolarHBondContact O-N 3.35Å
559	C	66.3	Low	62.3	Low	80 Å²	80	114.7 Å²	114.7	54%	0.541	59%	0.592	S	S	.	*	H	α-helix	trans	-61.8	-40.8	173.9	-77.3	0	0	0	0	112	L555 M562 H563	L555-C559 WeakPolarHBondContact O-CB 3.39Å; L555-C559 PolarHBondContact O-N 2.74Å; L555-C559 PolarHBondContact O-SG 3.08Å; C559-M562 PolarHBondContact O-N 2.59Å; C559-H563 WeakPolarHBondContact O-CB 3.32Å; C559-H563 PolarHBondContact O-N 3.03Å
560	W	73.3	Confident	60.4	Low	172 Å²	172	121.9 Å²	121.9	65%	0.652	61%	0.609	S	S	*	*	H	α-helix	trans	-66.3	-39.6	176	-175.4	37.9	0	0	0	112.5	S556 I557 F558 K564	S556-W560 WeakPolarHBondContact O-CB 3.28Å; S556-W560 PolarHBondContact O-N 2.87Å; I557-W560 PolarHBondContact O-N 3.4Å; F558-W560 VanDerWaalsContact C-N 3.34Å; F558-W560 PolarHBondContact O-N 3.02Å; W560-K564 WeakPolarHBondContact O-CB 3.44Å; W560-K564 PolarHBondContact O-N 2.92Å
561	H	63.5	Low	58.8	Low	110 Å²	110	126.4 Å²	126.4	51%	0.509	62%	0.621	S	S	.	*	H	α-helix	trans	-67.9	-37.7	177.8	-163.6	70.4	0	0	0	112.3	I557 F558 K565	I557-H561 WeakPolarHBondContact O-CB 3.2Å; I557-H561 PolarHBondContact O-N 2.86Å; F558-H561 PolarHBondContact O-N 3.03Å; H561-K565 PolarHBondContact O-N 3.13Å
562	M	58	Low	56.8	Low	102 Å²	102	132 Å²	132	50%	0.502	64%	0.637	S	S	.	*	H	α-helix	trans	-69.6	-38.9	177.1	-72.2	-84.4	64.4	0	0	112.7	F558 C559 K565	F558-M562 HydrophobicContact CD1-CG 4.18Å; F558-M562 HydrophobicContact CE1-CG 3.91Å; F558-M562 HydrophobicContact CE1-SD 4.43Å; F558-M562 HydrophobicContact CZ-CG 4.39Å; F558-M562 WeakPolarHBondContact O-CG 3.31Å; F558-M562 PolarHBondContact O-N 3.35Å; C559-M562 PolarHBondContact O-N 2.59Å; M562-K565 PolarHBondContact O-N 3.18Å
563	H	57.5	Low	54.5	Low	146 Å²	146	134.6 Å²	134.6	68%	0.676	65%	0.648	S	S	*	*	H	α-helix	trans	-69.5	-33.8	176.8	-163.3	-97.7	0	0	0	112.5	C559 K565	C559-H563 WeakPolarHBondContact O-CB 3.32Å; C559-H563 PolarHBondContact O-N 3.03Å; H563-K565 VanDerWaalsContact C-N 3.35Å; H563-K565 PolarHBondContact O-N 3.04Å
564	K	48.7	Very low	52.6	Low	152 Å²	152	143.3 Å²	143.3	66%	0.661	67%	0.673	S	S	*	*	H	α-helix	trans	-75.5	-19.6	180	-161.8	175	-178.3	179.3	0	113.7	W560	W560-K564 WeakPolarHBondContact O-CB 3.44Å; W560-K564 PolarHBondContact O-N 2.92Å
565	K	44.5	Very low	50.2	Low	157 Å²	157	141.5 Å²	141.5	68%	0.683	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	-3.8	178.9	-122.2	178.8	-179.1	177.3	0	114.4	H561 M562 H563	H561-K565 PolarHBondContact O-N 3.13Å; M562-K565 PolarHBondContact O-N 3.18Å; H563-K565 VanDerWaalsContact C-N 3.35Å; H563-K565 PolarHBondContact O-N 3.04Å
566	S	43.8	Very low	48.4	Very low	95 Å²	95	148.2 Å²	148.2	66%	0.664	70%	0.699	S	S	*	*	S	Bend	trans	-99.7	39.6	178.2	-169.8	0	0	0	0	113.2
567	H	45.1	Very low	46.6	Very low	173 Å²	173	156 Å²	156	80%	0.801	72%	0.718	S	S	*	*			trans	-133.8	84.5	164.6	-85.3	-69.1	0	0	0	109.5
568	S	34.4	Very low	44.6	Very low	95 Å²	95	159.1 Å²	159.1	66%	0.664	73%	0.728	S	S	*	*			trans	-127.3	120	147.9	76.3	0	0	0	0	108.8
569	E	38.8	Very low	42.6	Very low	176 Å²	176	158.9 Å²	158.9	82%	0.822	73%	0.733	S	S	*	*			trans	-52.2	131.4	171.3	-67.5	178.2	119.4	0	0	111.6
570	W	26.6	Very low	40.8	Very low	246 Å²	246	161.2 Å²	161.2	93%	0.932	74%	0.74	S	S	*	*			trans	-132.2	106.6	146.3	-75.5	-33	0	0	0	110.1
571	K	36.3	Very low	38.7	Very low	184 Å²	184	163.1 Å²	163.1	80%	0.8	75%	0.748	S	S	*	*			trans	-77.1	133.6	149.8	-82.4	174.2	173.1	168.2	0	107.7
572	Y	27.1	Very low	37	Very low	221 Å²	221	164 Å²	164	87%	0.867	77%	0.765	S	S	*	*			trans	-167.9	163.1	132.5	-114.8	-82.4	0	0	0	112.8
573	N	28.7	Very low	35.7	Very low	137 Å²	137	167.6 Å²	167.6	73%	0.733	78%	0.781	S	S	*	*			trans	-66.5	162.3	-158.8	-74.9	-39.8	0	0	0	119.2	G575	N573-G575 PolarHBondContact O-N 2.63Å
574	R	36.6	Very low	34.3	Very low	257 Å²	257	165 Å²	165	97%	0.97	79%	0.785	S	S	*	*			trans	-34.1	125	154.7	-84.4	177.3	166.7	165.4	-3.7	113.4
575	G	29.3	Very low	33.3	Very low	72 Å²	72	161.5 Å²	161.5	74%	0.742	79%	0.792	S	S	*	*			trans	174.5	94.1	164.4	0	0	0	0	0	113.6	N573	N573-G575 PolarHBondContact O-N 2.63Å
576	R	35.8	Very low	32.6	Very low	243 Å²	243	159 Å²	159	92%	0.917	79%	0.79	S	S	*	*			trans	30.6	139.7	150.9	-76.2	-177.7	176.2	174.8	-1	122
577	R	36.8	Very low	32.4	Very low	232 Å²	232	164.2 Å²	164.2	88%	0.875	80%	0.8	S	S	*	*			trans	90.4	108.4	158.9	-76.1	178.8	174.9	164.7	-2.4	114.5
578	K	32.8	Very low	32	Very low	157 Å²	157	164.8 Å²	164.8	68%	0.683	80%	0.801	S	S	*	*				106.5	131.5	83.3	-121.9	-170.5	162.3	-156.6	0	105.9
579	D	30.3	Very low	32	Very low	129 Å²	129	166.4 Å²	166.4	69%	0.69	80%	0.802	S	S	*	*			cis	-144.7	125.6	34.4	-60.3	-61.7	0	0	0	107.5
580	D	29.6	Very low	31.8	Very low	130 Å²	130	164.2 Å²	164.2	70%	0.695	80%	0.796	S	S	*	*				85.3	94.4	73.4	-67.5	-15.5	0	0	0	113
581	Y	27.9	Very low	32.3	Very low	212 Å²	212	155.9 Å²	155.9	83%	0.831	78%	0.775	S	S	*	*			trans	-53.6	154.9	143.8	-98.5	-100.6	0	0	0	110.1
582	C	27.5	Very low	32.2	Very low	127 Å²	127	153 Å²	153	86%	0.858	77%	0.768	S	S	*	*			trans	-152.9	97.5	138.8	-111	0	0	0	0	112.1
583	E	31	Very low	32.5	Very low	178 Å²	178	148.4 Å²	148.4	83%	0.832	76%	0.758	S	S	*	*			trans	-54.3	137.2	138.5	-125.8	177.8	167.7	0	0	108.7
584	A	27.8	Very low	32.8	Very low	93 Å²	93	148.1 Å²	148.1	77%	0.769	75%	0.752	S	S	*	*			trans	-137.6	81.7	166.8	0	0	0	0	0	110
585	G	28	Very low	32.6	Very low	77 Å²	77	143.6 Å²	143.6	79%	0.794	74%	0.744	S	S	*	*			trans	-85.8	113.5	149.8	0	0	0	0	0	108.8	K587	G585-K587 PolarHBondContact O-N 3.49Å
586	T	31.1	Very low	33.2	Very low	106 Å²	106	144.5 Å²	144.5	65%	0.65	74%	0.735	S	S	*	*			trans	-85.2	93.4	168.2	48.3	0	0	0	0	109.6	K588	T586-K588 PolarHBondContact O-N 2.72Å
587	K	38.8	Very low	33.1	Very low	203 Å²	203	142.6 Å²	142.6	88%	0.883	74%	0.736	S	S	*	*	S	Bend	trans	-69	110.9	154	-174.3	176.7	-175.3	175.5	0	106.9	G585	G585-K587 PolarHBondContact O-N 3.49Å
588	K	37.1	Very low	33	Very low	186 Å²	186	138.3 Å²	138.3	81%	0.809	74%	0.736	S	S	*	*	S	Bend	trans	65.9	99.4	-170.1	-74.9	179	169	-179.3	0	113.2	T586	T586-K588 PolarHBondContact O-N 2.72Å
589	D	33.5	Very low	33.2	Very low	129 Å²	129	133 Å²	133	69%	0.69	73%	0.726	S	S	*	*			trans	-176.5	137.5	134.9	-84.8	-26	0	0	0	110	S591	D589-S591 PolarHBondContact O-N 3.23Å
590	N	36.4	Very low	33.9	Very low	130 Å²	130	135.6 Å²	135.6	70%	0.695	73%	0.731	S	S	*	*			trans	-86.2	79.1	-174.9	-73.2	-16.7	0	0	0	111.2
591	S	35.7	Very low	34.4	Very low	71 Å²	71	135.2 Å²	135.2	50%	0.497	73%	0.725	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-132.8	137.6	169.8	51.1	0	0	0	0	111	D589	D589-S591 PolarHBondContact O-N 3.23Å
592	L	35.1	Very low	34.9	Very low	123 Å²	123	131.1 Å²	131.1	64%	0.644	72%	0.717	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-96.1	133.1	178.1	-162.2	82.9	0	0	0	109.3
593	L	33	Very low	35.7	Very low	125 Å²	125	128.8 Å²	128.8	65%	0.654	70%	0.698	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-103.2	124.9	173.2	-158.9	103.7	0	0	0	108.4	M595 I602	L593-M595 HydrophobicContact CD2-CG 4.26Å; L593-M595 HydrophobicContact CD2-SD 4.35Å; L593-I602 HydrophobicContact CD1-CG1 4.24Å
594	E	35.7	Very low	36	Very low	130 Å²	130	124.9 Å²	124.9	61%	0.607	69%	0.69	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-123	125.9	177.4	-169.2	171.6	-161.3	0	0	109.3
595	M	32	Very low	36.5	Very low	163 Å²	163	125.9 Å²	125.9	80%	0.803	68%	0.682	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-110.5	124.7	179.2	-68.7	175	65.7	0	0	108.6	L593	L593-M595 HydrophobicContact CD2-CG 4.26Å; L593-M595 HydrophobicContact CD2-SD 4.35Å
596	T	42	Very low	37.1	Very low	90 Å²	90	128.4 Å²	128.4	55%	0.552	68%	0.677	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-125.4	162.4	172	62.4	0	0	0	0	110	T598 G599	T596-T598 PolarHBondContact O-N 2.88Å; T596-G599 PolarHBondContact O-N 2.87Å
597	E	34.2	Very low	37.3	Very low	203 Å²	203	129.7 Å²	129.7	95%	0.949	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.6	-11.8	-170.7	-67.4	-175.8	158.7	0	0	115.3
598	T	33	Very low	37.3	Very low	142 Å²	142	129.9 Å²	129.9	87%	0.871	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.6	11.2	-175.3	56.6	0	0	0	0	115.9	T596	T596-T598 PolarHBondContact O-N 2.88Å
599	G	37.7	Very low	37.4	Very low	45 Å²	45	129.1 Å²	129.1	46%	0.464	68%	0.684	S	S	.	*	E	Extended strand (participates in β ladder)	trans	168.7	170.9	172.3	0	0	0	0	0	116	T596	T596-G599 PolarHBondContact O-N 2.87Å
600	F	44.9	Very low	37.6	Very low	184 Å²	184	130.3 Å²	130.3	81%	0.807	69%	0.689	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-106.9	139.6	178.1	68.7	-90.5	0	0	0	111.6
601	Q	40.2	Very low	38	Very low	123 Å²	123	132.3 Å²	132.3	58%	0.575	70%	0.699	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-138.5	139.9	174.7	-171.3	174.9	-7.2	0	0	111	V603	Q601-V603 HydrophobicContact CG-CG2 4.02Å
602	I	38.3	Very low	37.8	Very low	126 Å²	126	138.2 Å²	138.2	65%	0.646	72%	0.716	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-121.4	127.5	174	-61.8	175	0	0	0	107.9	L593	L593-I602 HydrophobicContact CD1-CG1 4.24Å
603	V	44.8	Very low	38.2	Very low	77 Å²	77	135.4 Å²	135.4	47%	0.467	72%	0.716	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.5	129.2	179.4	-173.2	0	0	0	0	110.7	Q601	Q601-V603 HydrophobicContact CG-CG2 4.02Å
604	S	35.9	Very low	38.2	Very low	96 Å²	96	137.2 Å²	137.2	67%	0.671	73%	0.727	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-83.8	133.5	174.3	176.8	0	0	0	0	110.7
605	L	39.7	Very low	38	Very low	114 Å²	114	140.8 Å²	140.8	60%	0.597	74%	0.741	S	S	*	*	S	Bend	trans	-87.6	-0.7	-175.3	-82.2	161.1	0	0	0	115.4
606	N	40.4	Very low	37.9	Very low	130 Å²	130	142.3 Å²	142.3	70%	0.695	74%	0.738	S	S	*	*			trans	-122.9	88.7	-179.6	-81.4	-6.6	0	0	0	112.3
607	N	35.3	Very low	37.4	Very low	133 Å²	133	145.6 Å²	145.6	71%	0.711	75%	0.75	S	S	*	*			trans	-171	117.9	139.2	-107.9	-9.3	0	0	0	110.6	Q609	N607-Q609 PolarHBondContact O-N 2.91Å
608	E	38.8	Very low	37.1	Very low	207 Å²	207	143.8 Å²	143.8	97%	0.967	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	29.2	171.9	-71.8	-159.6	150.3	0	0	114
609	Q	38.7	Very low	37.1	Very low	170 Å²	170	142.1 Å²	142.1	79%	0.794	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.4	10.9	-175.6	-87.2	-166.1	-14.9	0	0	116.7	N607	N607-Q609 PolarHBondContact O-N 2.91Å
610	L	38.2	Very low	36.9	Very low	154 Å²	154	146.6 Å²	146.6	81%	0.806	75%	0.745	S	S	*	*			trans	-113.8	49.1	177.2	-74.9	158.1	0	0	0	112.7	K612	L610-K612 PolarHBondContact O-N 3Å
611	L	43.4	Very low	36.2	Very low	172 Å²	172	147.9 Å²	147.9	90%	0.901	75%	0.746	S	S	*	*			trans	-80.5	85.6	147.3	-88.2	160	0	0	0	108
612	K	33.4	Very low	35.8	Very low	195 Å²	195	147.2 Å²	147.2	85%	0.848	76%	0.755	S	S	*	*	S	Bend	trans	172	122	150.2	-103.4	167.8	179.3	179.2	0	110.8	L610	L610-K612 PolarHBondContact O-N 3Å
613	G	42.1	Very low	35.7	Very low	64 Å²	64	146.7 Å²	146.7	66%	0.66	76%	0.76	S	S	*	*			trans	63.8	119.6	134.8	0	0	0	0	0	118.4
614	D	33.4	Very low	35.2	Very low	164 Å²	164	150.6 Å²	150.6	88%	0.877	78%	0.778	S	S	*	*			trans	84.8	88.8	151.9	-53.1	-18.6	0	0	0	117.7
615	F	31.8	Very low	35.3	Very low	204 Å²	204	150.2 Å²	150.2	90%	0.895	79%	0.79	S	S	*	*			trans	-103.9	124.2	149.7	-65.9	-78.8	0	0	0	109.1
616	R	28.9	Very low	34.9	Very low	195 Å²	195	148.1 Å²	148.1	74%	0.736	80%	0.796	S	S	*	*			trans	-97.6	110.7	173.8	-153.9	-179.3	-170	-164.3	1.8	107.7	D631	R616-D631 IonicContact CZ-OD1 3.35Å; R616-D631 IonicContact NH1-OD1 2.67Å; R616-D631 PolarHBondContact NH1-OD1 2.98Å; R616-D631 IonicContact NH2-OD1 3.82Å; R616-D631 PolarHBondContact NH2-OD1 2.89Å
617	I	31.8	Very low	34.5	Very low	160 Å²	160	148 Å²	148	82%	0.821	80%	0.799	S	S	*	*			trans	-77.7	125.3	174	-58.2	173.4	0	0	0	107.8
618	Q	28	Very low	34.5	Very low	164 Å²	164	146.9 Å²	146.9	77%	0.766	80%	0.802	S	S	*	*			trans	-117.7	112.8	172.9	-129.5	178.3	2.5	0	0	109.5
619	P	33.4	Very low	34.1	Very low	107 Å²	107	146.5 Å²	146.5	70%	0.695	80%	0.798	S	S	*	*			trans	-75.7	138.8	176.7	28	-30.9	0	0	0	111.1
620	I	32.5	Very low	33.9	Very low	140 Å²	140	150 Å²	150	72%	0.718	80%	0.803	S	S	*	*	S	Bend	trans	-85.2	-9.5	-174.6	-62.3	176.4	0	0	0	112.8
621	Y	30.5	Very low	33.4	Very low	210 Å²	210	148.2 Å²	148.2	82%	0.824	80%	0.795	S	S	*	*			trans	-143.2	137.3	173.2	-70.1	-79	0	0	0	112.3
622	S	32	Very low	32.7	Very low	109 Å²	109	145.9 Å²	145.9	76%	0.762	79%	0.791	S	S	*	*			trans	-108.6	134.6	171.5	39.5	0	0	0	0	109.7
623	P	37	Very low	32.7	Very low	116 Å²	116	142.2 Å²	142.2	75%	0.753	79%	0.787	S	S	*	*	S	Bend	trans	-83.8	122.9	169.5	31.6	-26.7	0	0	0	109.3
624	N	33.2	Very low	32.3	Very low	158 Å²	158	145.1 Å²	145.1	85%	0.845	80%	0.795	S	S	*	*	S	Bend	trans	70.9	125.1	169	-57.1	-24	0	0	0	116.8
625	G	38.1	Very low	32.2	Very low	89 Å²	89	143.6 Å²	143.6	92%	0.918	79%	0.791	S	S	*	*			trans	-63.3	150.5	-165.8	0	0	0	0	0	116
626	G	31	Very low	32.3	Very low	70 Å²	70	140.6 Å²	140.6	72%	0.722	79%	0.785	S	S	*	*			trans	154	104.2	166.5	0	0	0	0	0	114.2
627	V	33.3	Very low	32.9	Very low	127 Å²	127	139.2 Å²	139.2	77%	0.77	79%	0.792	S	S	*	*			trans	75	115.1	154.1	-159.7	0	0	0	0	118.4
628	S	34.5	Very low	33	Very low	110 Å²	110	137.7 Å²	137.7	77%	0.769	79%	0.79	S	S	*	*			trans	-65.7	139.3	172.3	58.3	0	0	0	0	113.2
629	F	31.5	Very low	33.3	Very low	199 Å²	199	136.7 Å²	136.7	87%	0.873	80%	0.795	S	S	*	*			trans	-113.5	127.3	162.8	-78	-85.1	0	0	0	110.8
630	R	33.4	Very low	33.2	Very low	243 Å²	243	137.3 Å²	137.3	92%	0.917	80%	0.797	S	S	*	*			trans	-81.4	140.9	170.3	-90.3	-178	171.1	177.3	-2.5	109.9
631	D	27.2	Very low	33.3	Very low	116 Å²	116	141.4 Å²	141.4	62%	0.62	81%	0.805	S	S	*	*			trans	-65.6	131.9	172.3	-69.9	-58.9	0	0	0	111.9	R616	R616-D631 IonicContact CZ-OD1 3.35Å; R616-D631 IonicContact NH1-OD1 2.67Å; R616-D631 PolarHBondContact NH1-OD1 2.98Å; R616-D631 IonicContact NH2-OD1 3.82Å; R616-D631 PolarHBondContact NH2-OD1 2.89Å
632	C	30	Very low	33.2	Very low	123 Å²	123	137.5 Å²	137.5	83%	0.831	81%	0.807	S	S	*	*			trans	-104.1	139.2	158.9	-79.2	0	0	0	0	109
633	P	32.5	Very low	33.2	Very low	118 Å²	118	141.7 Å²	141.7	77%	0.766	81%	0.811	S	S	*	*			trans	-79.2	158	-175.7	32.6	-34.6	0	0	0	112.7
634	P	34.3	Very low	32.9	Very low	125 Å²	125	143.5 Å²	143.5	81%	0.812	81%	0.814	S	S	*	*			trans	-82.5	139.8	-171.8	33.2	-32.6	0	0	0	111.9
635	V	31.2	Very low	32.8	Very low	132 Å²	132	143.5 Å²	143.5	80%	0.8	82%	0.815	S	S	*	*			trans	-130.6	113.7	158.8	-177.2	0	0	0	0	109.1
636	N	33.8	Very low	32.6	Very low	142 Å²	142	145.7 Å²	145.7	76%	0.759	81%	0.81	S	S	*	*			trans	43.6	113.9	158.4	-69.6	-12.1	0	0	0	121.2	T638	N636-T638 PolarHBondContact O-N 3.32Å
637	N	42.4	Very low	32.7	Very low	165 Å²	165	150.5 Å²	150.5	88%	0.882	81%	0.813	S	S	*	*	S	Bend	trans	20.5	81.6	139.9	-79.3	-6.9	0	0	0	116.8
638	T	33.3	Very low	32.9	Very low	129 Å²	129	151.6 Å²	151.6	79%	0.791	82%	0.815	S	S	*	*			trans	-169	136.9	140.2	25.5	0	0	0	0	108.3	N636 V640	N636-T638 PolarHBondContact O-N 3.32Å; T638-V640 PolarHBondContact O-N 3.27Å
639	T	34	Very low	32.7	Very low	143 Å²	143	154.3 Å²	154.3	88%	0.877	82%	0.815	S	S	*	*			trans	-72.2	112.5	177.4	29	0	0	0	0	110.6
640	V	32.2	Very low	32.9	Very low	120 Å²	120	153.1 Å²	153.1	73%	0.727	81%	0.812	S	S	*	*			trans	-128.2	127	166.8	-179.1	0	0	0	0	109	T638	T638-V640 PolarHBondContact O-N 3.27Å
641	Y	33.3	Very low	33	Very low	226 Å²	226	150.9 Å²	150.9	89%	0.886	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-76.4	126.5	173.6	-74.5	-87.9	0	0	0	110.4
642	C	29.8	Very low	33.3	Very low	127 Å²	127	152.7 Å²	152.7	86%	0.858	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-81.8	118.2	167.8	-71.8	0	0	0	0	109.8
643	K	31.3	Very low	33.4	Very low	197 Å²	197	154.2 Å²	154.2	86%	0.857	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-77.1	132.1	171.6	-125.5	178	-179.3	-178.4	0	108.8	N645	K643-N645 PolarHBondContact O-N 2.89Å
644	N	30	Very low	33.5	Very low	154 Å²	154	156.2 Å²	156.2	82%	0.824	85%	0.85	S	S	*	*			trans	-72.1	113.8	167.1	-80.8	-12.6	0	0	0	109.4
645	N	32.6	Very low	33.5	Very low	159 Å²	159	158.1 Å²	158.1	85%	0.85	85%	0.852	S	S	*	*			trans	-90.9	104.4	153.9	-93.4	1.9	0	0	0	106.9	K643	K643-N645 PolarHBondContact O-N 2.89Å
646	V	32.7	Very low	33.6	Very low	134 Å²	134	159.7 Å²	159.7	81%	0.812	86%	0.856	S	S	*	*			trans	-99.1	114.2	156	178	0	0	0	0	105.7
647	Q	32.5	Very low	33.6	Very low	171 Å²	171	160.9 Å²	160.9	80%	0.799	86%	0.862	S	S	*	*			trans	-80.3	126.5	174.1	-156.4	169.6	-7	0	0	107
648	D	38.1	Very low	32.9	Very low	151 Å²	151	160.6 Å²	160.6	81%	0.807	86%	0.861	S	S	*	*			trans	-51.7	134.6	167.4	-72	-49.7	0	0	0	110.2
649	H	30.7	Very low	32.9	Very low	167 Å²	167	163 Å²	163	77%	0.773	87%	0.866	S	S	*	*			trans	-151.8	126.9	146.3	-101.2	-63.4	0	0	0	111.7
650	E	35.9	Very low	32.8	Very low	173 Å²	173	164.7 Å²	164.7	81%	0.808	87%	0.865	S	S	*	*			trans	-42.1	140.4	172.3	-63.2	158.3	133.5	0	0	115.4
651	S	35	Very low	32.9	Very low	197 Å²	197	168.7 Å²	168.7	100%	1.378	88%	0.878	S	S	*	*				-171.5	0	110.6	18.6	0	0	0	0	111.4

Retrieved 651 of 651 residues in 863.2 ms (Link to these results)

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