A0A2K5KPM0_CERAT Loading...

Leucine rich repeat transmembrane neuronal 4

AlphaFold DB , UniProt , Accession A0A2K5KPM0, Species CERAT (Cercocebus atys, Sooty mangabey), Gene LRRTM4, Length 564 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	41.1	Very low	43.4	Very low	252 Å²	252	151.2 Å²	151.2	100%	1.241	81%	0.806	S	S	*	*				0	134.2	0	-64.5	-176.8	-79.2	0	0	107.9
2	G	43.1	Very low	43.7	Very low	74 Å²	74	151.8 Å²	151.8	76%	0.763	80%	0.804	S	S	*	*			cis	-150	110.3	-3.4	0	0	0	0	0	112.8	H4	G2-H4 PolarHBondContact O-N 3.38Å
3	F	41.4	Very low	43.9	Very low	210 Å²	210	144.1 Å²	144.1	92%	0.921	77%	0.77	S	S	*	*			trans	-72.6	96.4	152	-91.7	-102	0	0	0	107.2
4	H	42.6	Very low	44.4	Very low	166 Å²	166	140 Å²	140	77%	0.769	75%	0.752	S	S	*	*			trans	-178.7	68.3	159.3	-95.6	-55.6	0	0	0	111.5	G2	G2-H4 PolarHBondContact O-N 3.38Å
5	L	39.1	Very low	44.9	Very low	169 Å²	169	135.9 Å²	135.9	89%	0.885	73%	0.734	S	S	*	*	S	Bend	trans	-154.3	20.3	161.8	-142	73.8	0	0	0	115.3
6	I	43.1	Very low	45.4	Very low	174 Å²	174	135.9 Å²	135.9	89%	0.892	73%	0.732	S	S	*	*	S	Bend	trans	-121.3	39.3	175.6	-40.4	-177.1	0	0	0	110.3
7	T	44	Very low	45.9	Very low	102 Å²	102	133.6 Å²	133.6	63%	0.626	72%	0.724	S	S	*	*	S	Bend	trans	-141.5	134.3	173.1	49.2	0	0	0	0	107.5
8	Q	42.5	Very low	46.4	Very low	151 Å²	151	131.8 Å²	131.8	71%	0.706	71%	0.713	S	S	*	*			trans	91.2	50.7	-170.1	-52.7	-68.2	1.8	0	0	117.5
9	L	42.3	Very low	47	Very low	139 Å²	139	130.8 Å²	130.8	73%	0.728	71%	0.707	S	S	*	*			trans	-122.1	85.8	145.6	-78.6	177.5	0	0	0	109.5
10	K	44.7	Very low	47.6	Very low	167 Å²	167	127.9 Å²	127.9	73%	0.726	70%	0.695	S	S	*	*			trans	-68.9	133.9	178.5	-65.5	178.4	179.1	178	0	111.1	M12	K10-M12 VanDerWaalsContact C-N 3.31Å; K10-M12 PolarHBondContact O-N 3.33Å
11	G	53.3	Low	48.1	Very low	59 Å²	59	124.9 Å²	124.9	61%	0.608	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	52.5	-69.1	149.9	0	0	0	0	0	119
12	M	47.8	Very low	48.8	Very low	158 Å²	158	117.8 Å²	117.8	78%	0.778	65%	0.647	S	S	*	*	H	α-helix	trans	-74	-37.3	-169.5	-70	163.5	62	0	0	113.8	K10 V14 V15 L16	K10-M12 VanDerWaalsContact C-N 3.31Å; K10-M12 PolarHBondContact O-N 3.33Å; M12-V14 VanDerWaalsContact C-N 3.34Å; M12-V14 PolarHBondContact O-N 2.64Å; M12-V15 WeakPolarHBondContact O-CB 3.48Å; M12-V15 PolarHBondContact O-N 2.87Å; M12-L16 PolarHBondContact O-N 2.69Å
13	S	46	Very low	49.4	Very low	52 Å²	52	119.5 Å²	119.5	36%	0.364	64%	0.639	S	S	.	*	H	α-helix	trans	-68.8	-30.9	-174.9	-54.1	0	0	0	0	113.5	L16 V17	S13-L16 PolarHBondContact O-N 3.07Å; S13-V17 PolarHBondContact O-N 3.41Å
14	V	50.4	Low	49.9	Very low	87 Å²	87	114.9 Å²	114.9	53%	0.527	62%	0.623	S	S	.	*	H	α-helix	trans	-66.2	-44.2	172.9	175.9	0	0	0	0	110.2	M12 L16 V17 L18	M12-V14 VanDerWaalsContact C-N 3.34Å; M12-V14 PolarHBondContact O-N 2.64Å; V14-L16 VanDerWaalsContact C-N 3.31Å; V14-L16 PolarHBondContact O-N 2.61Å; V14-V17 PolarHBondContact O-N 2.9Å; V14-L18 HydrophobicContact CG1-CD1 3.72Å; V14-L18 HydrophobicContact CG1-CG 4.26Å; V14-L18 WeakPolarHBondContact O-CB 3.27Å; V14-L18 WeakPolarHBondContact O-CG 3.35Å; V14-L18 PolarHBondContact O-N 3.14Å
15	V	51.9	Low	50.4	Low	78 Å²	78	111.3 Å²	111.3	47%	0.473	61%	0.613	S	S	.	*	H	α-helix	trans	-61.9	-38.5	174.2	177	0	0	0	0	111.3	M12 V17 L18 L19	M12-V15 WeakPolarHBondContact O-CB 3.48Å; M12-V15 PolarHBondContact O-N 2.87Å; V15-V17 VanDerWaalsContact C-N 3.29Å; V15-V17 PolarHBondContact O-N 3.07Å; V15-L18 PolarHBondContact O-N 3.27Å; V15-L19 HydrophobicContact CG1-CD1 3.52Å; V15-L19 PolarHBondContact O-N 3.42Å
16	L	52.5	Low	50.9	Low	136 Å²	136	109.4 Å²	109.4	71%	0.712	60%	0.601	S	S	*	*	H	α-helix	trans	-69.6	-20.3	-179.7	-144.3	81.6	0	0	0	114.2	M12 S13 V14 P20	M12-L16 PolarHBondContact O-N 2.69Å; S13-L16 PolarHBondContact O-N 3.07Å; V14-L16 VanDerWaalsContact C-N 3.31Å; V14-L16 PolarHBondContact O-N 2.61Å; L16-P20 WeakPolarHBondContact O-CD 3.4Å; L16-P20 VanDerWaalsContact O-CG 3.25Å; L16-P20 WeakPolarHBondContact O-CG 3.38Å
17	V	54.5	Low	51.2	Low	97 Å²	97	107 Å²	107	59%	0.588	59%	0.589	S	S	*	*	H	α-helix	trans	-97.2	-34.7	173.2	177.5	0	0	0	0	111.2	S13 V14 V15 T21	S13-V17 PolarHBondContact O-N 3.41Å; V14-V17 PolarHBondContact O-N 2.9Å; V15-V17 VanDerWaalsContact C-N 3.29Å; V15-V17 PolarHBondContact O-N 3.07Å; V17-T21 WeakPolarHBondContact O-CB 3.37Å; V17-T21 WeakPolarHBondContact O-CG2 3.24Å; V17-T21 PolarHBondContact O-N 3.25Å; V17-T21 PolarHBondContact O-OG1 2.94Å
18	L	55.3	Low	51.1	Low	102 Å²	102	107.3 Å²	107.3	53%	0.534	59%	0.591	S	S	.	*	H	α-helix	trans	-68.8	-36.2	175.4	-72.4	178.2	0	0	0	113	V14 V15 T21 L22	V14-L18 HydrophobicContact CG1-CD1 3.72Å; V14-L18 HydrophobicContact CG1-CG 4.26Å; V14-L18 WeakPolarHBondContact O-CB 3.27Å; V14-L18 WeakPolarHBondContact O-CG 3.35Å; V14-L18 PolarHBondContact O-N 3.14Å; V15-L18 PolarHBondContact O-N 3.27Å; L18-T21 WeakPolarHBondContact CA-OG1 3.38Å; L18-T21 PolarHBondContact O-OG1 2.88Å; L18-L22 WeakPolarHBondContact O-CB 3.33Å; L18-L22 PolarHBondContact O-N 2.95Å
19	L	57.9	Low	51.1	Low	113 Å²	113	102.3 Å²	102.3	59%	0.592	58%	0.579	S	S	*	*	H	α-helix	trans	-63.5	-51.3	176.7	-104.2	92.1	0	0	0	113	V15 T21 L22 L23	V15-L19 HydrophobicContact CG1-CD1 3.52Å; V15-L19 PolarHBondContact O-N 3.42Å; L19-T21 VanDerWaalsContact C-N 3.34Å; L19-T21 PolarHBondContact O-N 3.07Å; L19-L22 PolarHBondContact O-N 2.93Å; L19-L23 VanDerWaalsContact O-CB 3.25Å; L19-L23 WeakPolarHBondContact O-CB 3.19Å; L19-L23 PolarHBondContact O-N 2.61Å
20	P	57.9	Low	51.2	Low	71 Å²	71	99 Å²	99	46%	0.461	57%	0.573	S	S	.	*	H	α-helix	trans	-64.6	-34.9	178.3	-25.4	36.2	0	0	0	113.4	L16 L23 L24	L16-P20 WeakPolarHBondContact O-CD 3.4Å; L16-P20 VanDerWaalsContact O-CG 3.25Å; L16-P20 WeakPolarHBondContact O-CG 3.38Å; P20-L23 PolarHBondContact O-N 3.48Å; P20-L24 WeakPolarHBondContact O-CB 3.2Å; P20-L24 PolarHBondContact O-N 2.94Å
21	T	57.9	Low	51.5	Low	66 Å²	66	99.1 Å²	99.1	41%	0.405	58%	0.576	S	S	.	*	H	α-helix	trans	-74.3	-38.6	176.5	51.7	0	0	0	0	112.2	V17 L18 L19 L23 L24 V25	V17-T21 WeakPolarHBondContact O-CB 3.37Å; V17-T21 WeakPolarHBondContact O-CG2 3.24Å; V17-T21 PolarHBondContact O-N 3.25Å; V17-T21 PolarHBondContact O-OG1 2.94Å; L18-T21 WeakPolarHBondContact CA-OG1 3.38Å; L18-T21 PolarHBondContact O-OG1 2.88Å; L19-T21 VanDerWaalsContact C-N 3.34Å; L19-T21 PolarHBondContact O-N 3.07Å; T21-L23 VanDerWaalsContact C-N 3.33Å; T21-L24 CarbonylContact O-C 2.98Å; T21-L24 WeakPolarHBondContact O-CB 3.33Å; T21-L24 PolarHBondContact O-N 3.13Å; T21-V25 WeakPolarHBondContact O-CB 3.46Å; T21-V25 VanDerWaalsContact O-CG2 3.31Å; T21-V25 WeakPolarHBondContact O-CG2 3.37Å; T21-V25 PolarHBondContact O-N 3.19Å
22	L	57.1	Low	51.8	Low	103 Å²	103	105.1 Å²	105.1	54%	0.539	58%	0.58	S	S	.	*	H	α-helix	trans	-64.8	-37.1	170.3	-173	67	0	0	0	111.2	L18 L19 V25 M26	L18-L22 WeakPolarHBondContact O-CB 3.33Å; L18-L22 PolarHBondContact O-N 2.95Å; L19-L22 PolarHBondContact O-N 2.93Å; L22-V25 CarbonylContact O-C 3.47Å; L22-V25 PolarHBondContact O-N 3.16Å; L22-M26 WeakPolarHBondContact O-CB 3.22Å; L22-M26 VanDerWaalsContact O-CG 3.3Å; L22-M26 WeakPolarHBondContact O-CG 3.22Å; L22-M26 PolarHBondContact O-N 2.86Å
23	L	55.4	Low	52.8	Low	110 Å²	110	100.6 Å²	100.6	58%	0.576	57%	0.568	S	S	*	*	H	α-helix	trans	-66.3	-39.6	173.2	-159	78.9	0	0	0	111.1	L19 P20 T21 M26 L27	L19-L23 VanDerWaalsContact O-CB 3.25Å; L19-L23 WeakPolarHBondContact O-CB 3.19Å; L19-L23 PolarHBondContact O-N 2.61Å; P20-L23 PolarHBondContact O-N 3.48Å; T21-L23 VanDerWaalsContact C-N 3.33Å; L23-M26 PolarHBondContact O-N 2.88Å; L23-L27 HydrophobicContact CD2-CD1 4.43Å; L23-L27 HydrophobicContact CG-CD1 4.21Å; L23-L27 VanDerWaalsContact O-CB 3.3Å; L23-L27 WeakPolarHBondContact O-CB 3.49Å; L23-L27 WeakPolarHBondContact O-CD1 3.45Å; L23-L27 WeakPolarHBondContact O-CG 3.27Å; L23-L27 PolarHBondContact O-N 3.03Å
24	L	51.8	Low	54.8	Low	112 Å²	112	100.4 Å²	100.4	59%	0.586	57%	0.566	S	S	*	*	H	α-helix	trans	-64	-38.2	170.5	-109.7	71.7	0	0	0	112.3	P20 T21 M26 L27 T28	P20-L24 WeakPolarHBondContact O-CB 3.2Å; P20-L24 PolarHBondContact O-N 2.94Å; T21-L24 CarbonylContact O-C 2.98Å; T21-L24 WeakPolarHBondContact O-CB 3.33Å; T21-L24 PolarHBondContact O-N 3.13Å; L24-M26 VanDerWaalsContact C-N 3.34Å; L24-L27 PolarHBondContact O-N 3.17Å; L24-T28 WeakPolarHBondContact O-CB 3.41Å; L24-T28 WeakPolarHBondContact O-CG2 3.24Å; L24-T28 PolarHBondContact O-N 3.42Å; L24-T28 PolarHBondContact O-OG1 3.34Å
25	V	53	Low	56.6	Low	92 Å²	92	96.7 Å²	96.7	56%	0.558	54%	0.544	S	S	*	.	H	α-helix	trans	-69.3	-30.7	174.5	168.5	0	0	0	0	111.4	T21 L22 T28 G29	T21-V25 WeakPolarHBondContact O-CB 3.46Å; T21-V25 VanDerWaalsContact O-CG2 3.31Å; T21-V25 WeakPolarHBondContact O-CG2 3.37Å; T21-V25 PolarHBondContact O-N 3.19Å; L22-V25 CarbonylContact O-C 3.47Å; L22-V25 PolarHBondContact O-N 3.16Å; V25-T28 WeakPolarHBondContact CA-OG1 3.45Å; V25-T28 PolarHBondContact O-OG1 3.45Å; V25-G29 WeakPolarHBondContact O-CA 3.35Å; V25-G29 PolarHBondContact O-N 3.05Å
26	M	50.4	Low	58.3	Low	129 Å²	129	102.1 Å²	102.1	64%	0.635	56%	0.561	S	S	*	*	H	α-helix	trans	-75.7	-37.3	170.5	-71.2	-69.5	-168.5	0	0	112.2	L22 L23 L24 G29 A30	L22-M26 WeakPolarHBondContact O-CB 3.22Å; L22-M26 VanDerWaalsContact O-CG 3.3Å; L22-M26 WeakPolarHBondContact O-CG 3.22Å; L22-M26 PolarHBondContact O-N 2.86Å; L23-M26 PolarHBondContact O-N 2.88Å; L24-M26 VanDerWaalsContact C-N 3.34Å; M26-G29 CarbonylContact O-C 3.55Å; M26-G29 VanDerWaalsContact O-C 3.3Å; M26-G29 PolarHBondContact O-N 3.14Å; M26-A30 PolarHBondContact O-N 3.3Å
27	L	48.8	Very low	60.1	Low	122 Å²	122	100.9 Å²	100.9	64%	0.639	56%	0.555	S	S	*	*	H	α-helix	trans	-72	-32.9	177.6	-75.1	163.6	0	0	0	112.6	L23 L24	L23-L27 HydrophobicContact CD2-CD1 4.43Å; L23-L27 HydrophobicContact CG-CD1 4.21Å; L23-L27 VanDerWaalsContact O-CB 3.3Å; L23-L27 WeakPolarHBondContact O-CB 3.49Å; L23-L27 WeakPolarHBondContact O-CD1 3.45Å; L23-L27 WeakPolarHBondContact O-CG 3.27Å; L23-L27 PolarHBondContact O-N 3.03Å; L24-L27 PolarHBondContact O-N 3.17Å
28	T	42	Very low	61.9	Low	110 Å²	110	97.4 Å²	97.4	68%	0.675	53%	0.534	S	S	*	.	H	α-helix	trans	-83.1	-28.6	168.1	54.3	0	0	0	0	112	L24 V25 A30	L24-T28 WeakPolarHBondContact O-CB 3.41Å; L24-T28 WeakPolarHBondContact O-CG2 3.24Å; L24-T28 PolarHBondContact O-N 3.42Å; L24-T28 PolarHBondContact O-OG1 3.34Å; V25-T28 WeakPolarHBondContact CA-OG1 3.45Å; V25-T28 PolarHBondContact O-OG1 3.45Å; T28-A30 PolarHBondContact O-N 2.95Å
29	G	41.9	Very low	63.7	Low	45 Å²	45	100 Å²	100	46%	0.464	54%	0.537	S	S	.	.			trans	-72.9	-0.4	170.6	0	0	0	0	0	114.7	V25 M26 Q31	V25-G29 WeakPolarHBondContact O-CA 3.35Å; V25-G29 PolarHBondContact O-N 3.05Å; M26-G29 CarbonylContact O-C 3.55Å; M26-G29 VanDerWaalsContact O-C 3.3Å; M26-G29 PolarHBondContact O-N 3.14Å; G29-Q31 PolarHBondContact O-N 3.26Å
30	A	44.9	Very low	65.4	Low	71 Å²	71	97 Å²	97	59%	0.587	53%	0.526	S	S	*	.			trans	-67.2	56.9	155.5	0	0	0	0	0	110.2	M26 T28 R32	M26-A30 PolarHBondContact O-N 3.3Å; T28-A30 PolarHBondContact O-N 2.95Å; A30-R32 PolarHBondContact O-N 2.85Å
31	Q	50.4	Low	67	Low	169 Å²	169	97.3 Å²	97.3	79%	0.79	52%	0.523	S	S	*	.			trans	-49.7	124.2	169.2	-73.2	-176.3	-18.8	0	0	107.1	G29 A33	G29-Q31 PolarHBondContact O-N 3.26Å; Q31-A33 VanDerWaalsContact C-N 3.3Å; Q31-A33 PolarHBondContact O-N 3.19Å
32	R	59.7	Low	68.5	Low	185 Å²	185	96.1 Å²	96.1	70%	0.698	52%	0.524	S	S	*	.			trans	-63.9	97.6	178.5	-60.8	178.5	-164.8	153.9	13.3	106.6	A30 C34 G42	A30-R32 PolarHBondContact O-N 2.85Å; R32-C34 VanDerWaalsContact C-N 3.3Å; R32-C34 PolarHBondContact O-N 3Å; R32-G42 PolarHBondContact NH1-O 3.14Å
33	A	69.7	Low	70.2	Confident	63 Å²	63	97 Å²	97	52%	0.521	52%	0.523	S	S	.	.			trans	-59.2	95.6	-176.5	0	0	0	0	0	108.5	Q31	Q31-A33 VanDerWaalsContact C-N 3.3Å; Q31-A33 PolarHBondContact O-N 3.19Å
34	C	87.1	Confident	72.1	Confident	48 Å²	48	93.9 Å²	93.9	32%	0.324	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-80.4	127.9	177.3	-161	0	0	0	0	106.9	R32 C38 C40	R32-C34 VanDerWaalsContact C-N 3.3Å; R32-C34 PolarHBondContact O-N 3Å; C34-C38 PolarHBondContact SG-O 3.37Å; C34-C38 VanDerWaalsContact SG-O 3.33Å; C34-C40 WeakPolarHBondContact CA-SG 3.35Å; C34-C40 HydrophobicContact CB-CB 3.84Å; C34-C40 WeakPolarHBondContact CB-SG 3.36Å; C34-C40 WeakPolarHBondContact SG-CB 3.47Å; C34-C40 PolarHBondContact SG-N 3Å; C34-C40 CovalentContact SG-SG 2.04Å; C34-C40 PolarHBondContact SG-SG 3.25Å
35	P	89.4	Confident	74.2	Confident	9 Å²	9	88.9 Å²	88.9	6%	0.058	48%	0.481	C	S	.	.	P	Polyproline II helix	trans	-57.4	147.1	178.3	-20.7	30.3	0	0	0	110.6	N37 C38 V45 P56 I59	P35-N37 PolarHBondContact O-N 3.21Å; P35-C38 HydrophobicContact CB-CB 4.36Å; P35-C38 WeakPolarHBondContact O-CB 3.33Å; P35-C38 PolarHBondContact O-N 3.05Å; P35-C38 VanDerWaalsContact O-N 3.09Å; P35-V45 HydrophobicContact CG-CG1 4.4Å; P35-P56 HydrophobicContact CB-CB 3.76Å; P35-P56 HydrophobicContact CG-CB 4.26Å; P35-I59 HydrophobicContact CG-CG1 3.69Å
36	K	87.5	Confident	76.2	Confident	191 Å²	191	87.8 Å²	87.8	83%	0.83	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	137.9	177.5	-67.1	-178.3	179.5	178.2	0	109.2	C38	K36-C38 VanDerWaalsContact C-N 3.32Å
37	N	89.1	Confident	78.3	Confident	111 Å²	111	81.6 Å²	81.6	59%	0.594	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	38.3	-174.3	-51.1	-15	0	0	0	113.4	P35 H50 F52	P35-N37 PolarHBondContact O-N 3.21Å; N37-H50 HydrophobicContact CB-CB 4.46Å; N37-H50 PolarHBondContact O-CD2 2.69Å; N37-H50 PolarHBondContact O-NE2 3Å; N37-F52 HydrophobicContact CB-CZ 4.1Å
38	C	92.9	Very high	80.4	Confident	23 Å²	23	78.9 Å²	78.9	16%	0.155	42%	0.421	C	S	.	.			trans	-132.1	154.1	167.5	-56.4	0	0	0	0	111	C34 P35 K36 V45 Y46 C47	C34-C38 PolarHBondContact SG-O 3.37Å; C34-C38 VanDerWaalsContact SG-O 3.33Å; P35-C38 HydrophobicContact CB-CB 4.36Å; P35-C38 WeakPolarHBondContact O-CB 3.33Å; P35-C38 PolarHBondContact O-N 3.05Å; P35-C38 VanDerWaalsContact O-N 3.09Å; K36-C38 VanDerWaalsContact C-N 3.32Å; C38-V45 HydrophobicContact CB-CG1 4.29Å; C38-Y46 CarbonylContact C-O 3.3Å; C38-Y46 VanDerWaalsContact CA-O 3.28Å; C38-Y46 WeakPolarHBondContact CA-O 3.3Å; C38-Y46 WeakPolarHBondContact CB-O 3.33Å; C38-C47 HydrophobicContact CB-CB 4.08Å; C38-C47 WeakPolarHBondContact CB-SG 3.37Å; C38-C47 VanDerWaalsContact SG-CA 3.55Å; C38-C47 WeakPolarHBondContact SG-CB 3.22Å; C38-C47 CovalentContact SG-SG 2.03Å; C38-C47 PolarHBondContact SG-SG 3.18Å
39	R	93.1	Very high	82.6	Confident	156 Å²	156	77.5 Å²	77.5	59%	0.589	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.4	129.2	167.8	169.2	-176.4	164.3	-161.5	-5	108.9	D41 Y46	R39-D41 IonicContact CZ-OD2 2.73Å; R39-D41 IonicContact NE-OD2 2.82Å; R39-D41 IonicContact NH2-OD2 3.75Å; R39-D41 PolarHBondContact NH2-OD2 3.31Å; R39-Y46 HydrophobicContact CG-CD2 4.49Å; R39-Y46 PolarHBondContact N-O 3.08Å; R39-Y46 PolarHBondContact O-N 2.86Å
40	C	93	Very high	84.5	Confident	52 Å²	52	80.1 Å²	80.1	35%	0.351	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	130.8	174.4	-61.1	0	0	0	0	110.5	C34 I44	C34-C40 WeakPolarHBondContact CA-SG 3.35Å; C34-C40 HydrophobicContact CB-CB 3.84Å; C34-C40 WeakPolarHBondContact CB-SG 3.36Å; C34-C40 WeakPolarHBondContact SG-CB 3.47Å; C34-C40 PolarHBondContact SG-N 3Å; C34-C40 CovalentContact SG-SG 2.04Å; C34-C40 PolarHBondContact SG-SG 3.25Å; C40-I44 CarbonylContact C-O 3.5Å; C40-I44 WeakPolarHBondContact CA-O 3.28Å
41	D	92.3	Very high	86.5	Confident	76 Å²	76	79.8 Å²	79.8	41%	0.406	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	110.8	-176.5	-156.5	-33.4	0	0	0	109.7	R39 K43 I44 Y46	R39-D41 IonicContact CZ-OD2 2.73Å; R39-D41 IonicContact NE-OD2 2.82Å; R39-D41 IonicContact NH2-OD2 3.75Å; R39-D41 PolarHBondContact NH2-OD2 3.31Å; D41-K43 PolarHBondContact O-N 3.2Å; D41-I44 PolarHBondContact N-O 3.44Å; D41-I44 WeakPolarHBondContact O-CB 3.33Å; D41-I44 PolarHBondContact O-N 3.14Å; D41-Y46 HydrophobicContact CB-CE2 4Å
42	G	89.6	Confident	88.3	Confident	41 Å²	41	73.6 Å²	73.6	42%	0.423	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	60	-100	-173.4	0	0	0	0	0	113	R32	R32-G42 PolarHBondContact NH1-O 3.14Å
43	K	93.1	Very high	89.8	Confident	121 Å²	121	68 Å²	68	53%	0.526	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.4	20.1	175.7	-63.4	-174.4	177.2	-175.5	0	112.4	D41 S63 Q64 G65	D41-K43 PolarHBondContact O-N 3.2Å; K43-S63 CarbonylContact O-C 3.31Å; K43-S63 WeakPolarHBondContact O-CA 3.06Å; K43-Q64 HydrophobicContact CB-CB 4.31Å; K43-Q64 HydrophobicContact CB-CG 4.21Å; K43-Q64 HydrophobicContact CD-CG 4.13Å; K43-Q64 PolarHBondContact O-N 3.07Å; K43-G65 PolarHBondContact O-N 3.4Å
44	I	95.1	Very high	90.8	Very high	46 Å²	46	67.9 Å²	67.9	24%	0.236	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	137.4	-178.1	-60.2	163.6	0	0	0	108.4	C40 D41 Y46 G65 W89	C40-I44 CarbonylContact C-O 3.5Å; C40-I44 WeakPolarHBondContact CA-O 3.28Å; D41-I44 PolarHBondContact N-O 3.44Å; D41-I44 WeakPolarHBondContact O-CB 3.33Å; D41-I44 PolarHBondContact O-N 3.14Å; I44-Y46 HydrophobicContact CB-CE2 4.07Å; I44-Y46 HydrophobicContact CG2-CD1 4.48Å; I44-Y46 HydrophobicContact CG2-CD2 3.91Å; I44-Y46 HydrophobicContact CG2-CE1 4.02Å; I44-Y46 HydrophobicContact CG2-CE2 3.38Å; I44-Y46 HydrophobicContact CG2-CG 4.43Å; I44-Y46 VanDerWaalsContact CG2-CZ 3.44Å; I44-G65 WeakPolarHBondContact CA-O 3.31Å; I44-W89 HydrophobicContact CB-CZ2 4.29Å; I44-W89 HydrophobicContact CD1-CZ2 4.06Å; I44-W89 HydrophobicContact CG1-CZ2 3.95Å; I44-W89 HydrophobicContact CG2-CH2 3.34Å; I44-W89 HydrophobicContact CG2-CZ2 3.35Å
45	V	95.3	Very high	91	Very high	6 Å²	6	66.7 Å²	66.7	4%	0.036	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	120.5	177.4	-177.3	0	0	0	0	109.2	P35 C38 C47 I59 G65 L66 S67	P35-V45 HydrophobicContact CG-CG1 4.4Å; C38-V45 HydrophobicContact CB-CG1 4.29Å; V45-C47 VanDerWaalsContact CG1-SG 3.57Å; V45-I59 HydrophobicContact CG2-CG2 4.31Å; V45-G65 PolarHBondContact N-O 3.41Å; V45-L66 HydrophobicContact CB-CD1 4.05Å; V45-L66 HydrophobicContact CG1-CD1 4.12Å; V45-L66 WeakPolarHBondContact O-CA 3.25Å; V45-S67 PolarHBondContact O-N 2.92Å
46	Y	95.8	Very high	91	Very high	69 Å²	69	67.1 Å²	67.1	27%	0.271	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	108.2	176.8	-58.9	-87.4	0	0	0	109.3	C38 R39 D41 I44 W89	C38-Y46 CarbonylContact C-O 3.3Å; C38-Y46 VanDerWaalsContact CA-O 3.28Å; C38-Y46 WeakPolarHBondContact CA-O 3.3Å; C38-Y46 WeakPolarHBondContact CB-O 3.33Å; R39-Y46 HydrophobicContact CG-CD2 4.49Å; R39-Y46 PolarHBondContact N-O 3.08Å; R39-Y46 PolarHBondContact O-N 2.86Å; D41-Y46 HydrophobicContact CB-CE2 4Å; I44-Y46 HydrophobicContact CB-CE2 4.07Å; I44-Y46 HydrophobicContact CG2-CD1 4.48Å; I44-Y46 HydrophobicContact CG2-CD2 3.91Å; I44-Y46 HydrophobicContact CG2-CE1 4.02Å; I44-Y46 HydrophobicContact CG2-CE2 3.38Å; I44-Y46 HydrophobicContact CG2-CG 4.43Å; I44-Y46 VanDerWaalsContact CG2-CZ 3.44Å; Y46-W89 HydrophobicContact CE1-CH2 4.15Å
47	C	94.4	Very high	90.8	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	36%	0.357	C	S	.	.			trans	-119.1	62.3	179.3	-67.1	0	0	0	0	108.6	C38 V45 F52 P56 S67 L68 N71	C38-C47 HydrophobicContact CB-CB 4.08Å; C38-C47 WeakPolarHBondContact CB-SG 3.37Å; C38-C47 VanDerWaalsContact SG-CA 3.55Å; C38-C47 WeakPolarHBondContact SG-CB 3.22Å; C38-C47 CovalentContact SG-SG 2.03Å; C38-C47 PolarHBondContact SG-SG 3.18Å; V45-C47 VanDerWaalsContact CG1-SG 3.57Å; C47-F52 HydrophobicContact CB-CD2 4.19Å; C47-F52 HydrophobicContact CB-CE2 3.75Å; C47-P56 HydrophobicContact CB-CG 4.33Å; C47-S67 CarbonylContact C-O 3.07Å; C47-S67 WeakPolarHBondContact CA-O 3.24Å; C47-S67 PolarHBondContact N-O 3.03Å; C47-L68 HydrophobicContact CB-CD2 3.62Å; C47-N71 PolarHBondContact O-ND2 3.26Å
48	E	92.6	Very high	90.6	Very high	64 Å²	64	66.4 Å²	66.4	30%	0.299	36%	0.361	S	S	.	.			trans	-106.4	147.6	-168.2	-60.1	179.6	-173.3	0	0	112.2	H50 S67 R69	E48-H50 PolarHBondContact O-CD2 2.84Å; E48-H50 PolarHBondContact O-N 3.36Å; E48-H50 VanDerWaalsContact O-N 3.17Å; E48-S67 WeakPolarHBondContact OE1-CB 3.27Å; E48-S67 PolarHBondContact OE1-OG 3.35Å; E48-R69 VanDerWaalsContact CA-O 3.31Å; E48-R69 WeakPolarHBondContact CA-O 3.13Å; E48-R69 HydrophobicContact CG-CB 4.23Å
49	S	86.8	Confident	90.4	Very high	82 Å²	82	66.4 Å²	66.4	57%	0.573	36%	0.359	S	S	*	.	S	Bend	trans	60.1	22.6	171.8	-49.1	0	0	0	0	116.2	R69 F70	S49-R69 PolarHBondContact N-O 2.89Å; S49-R69 VanDerWaalsContact N-O 3.11Å; S49-F70 VanDerWaalsContact CA-O 3.3Å; S49-F70 WeakPolarHBondContact CA-O 3.42Å
50	H	82.9	Confident	90.2	Very high	100 Å²	100	62 Å²	62	46%	0.463	35%	0.352	S	S	.	.	S	Bend	trans	-107.6	15.5	-177.9	-73.4	-60.1	0	0	0	113.4	N37 E48 F52 N71	N37-H50 HydrophobicContact CB-CB 4.46Å; N37-H50 PolarHBondContact O-CD2 2.69Å; N37-H50 PolarHBondContact O-NE2 3Å; E48-H50 PolarHBondContact O-CD2 2.84Å; E48-H50 PolarHBondContact O-N 3.36Å; E48-H50 VanDerWaalsContact O-N 3.17Å; H50-F52 HydrophobicContact CB-CD2 3.81Å; H50-F52 HydrophobicContact CB-CE2 3.56Å; H50-F52 HydrophobicContact CB-CZ 4.17Å; H50-F52 PolarHBondContact O-N 3.06Å; H50-F52 VanDerWaalsContact O-N 3.13Å; H50-N71 PolarHBondContact N-OD1 3.13Å
51	A	86.6	Confident	90	Very high	64 Å²	64	60.9 Å²	60.9	53%	0.529	35%	0.349	S	S	.	.			trans	55	26.3	178.7	0	0	0	0	0	114.6	A53 N71 S72	A51-A53 PolarHBondContact O-N 3.17Å; A51-A53 VanDerWaalsContact O-N 3.16Å; A51-N71 PolarHBondContact N-OD1 3.09Å; A51-N71 VanDerWaalsContact N-OD1 3.12Å; A51-S72 PolarHBondContact O-OG 3.39Å
52	F	88.5	Confident	89.9	Confident	38 Å²	38	58.9 Å²	58.9	17%	0.167	35%	0.346	C	S	.	.			trans	-53.7	121.3	177.8	-73.7	-66.9	0	0	0	110.6	N37 C47 H50 P56 N71 S72 I73	N37-F52 HydrophobicContact CB-CZ 4.1Å; C47-F52 HydrophobicContact CB-CD2 4.19Å; C47-F52 HydrophobicContact CB-CE2 3.75Å; H50-F52 HydrophobicContact CB-CD2 3.81Å; H50-F52 HydrophobicContact CB-CE2 3.56Å; H50-F52 HydrophobicContact CB-CZ 4.17Å; H50-F52 PolarHBondContact O-N 3.06Å; H50-F52 VanDerWaalsContact O-N 3.13Å; F52-P56 HydrophobicContact CD1-CG 3.87Å; F52-P56 HydrophobicContact CD2-CG 4.22Å; F52-P56 HydrophobicContact CE1-CB 4.45Å; F52-P56 HydrophobicContact CE1-CG 3.73Å; F52-P56 HydrophobicContact CE2-CG 4.09Å; F52-P56 HydrophobicContact CG-CG 4.13Å; F52-P56 HydrophobicContact CZ-CG 3.84Å; F52-N71 HydrophobicContact CB-CB 4.15Å; F52-N71 WeakPolarHBondContact CD2-OD1 3.38Å; F52-N71 PolarHBondContact N-OD1 2.83Å; F52-S72 CarbonylContact O-C 3.38Å; F52-S72 VanDerWaalsContact O-C 3.3Å; F52-S72 WeakPolarHBondContact O-CA 3.44Å; F52-S72 PolarHBondContact O-N 2.85Å; F52-I73 WeakPolarHBondContact O-CG1 3.49Å; F52-I73 PolarHBondContact O-N 2.88Å; F52-I73 VanDerWaalsContact O-N 3.14Å
53	A	90.8	Very high	90.2	Very high	69 Å²	69	57.1 Å²	57.1	57%	0.57	33%	0.328	S	S	*	.	S	Bend	trans	-83.1	-19.8	178	0	0	0	0	0	112.8	A51	A51-A53 PolarHBondContact O-N 3.17Å; A51-A53 VanDerWaalsContact O-N 3.16Å
54	D	90.6	Very high	90.3	Very high	59 Å²	59	54.7 Å²	54.7	32%	0.316	32%	0.318	S	S	.	.	S	Bend	trans	-147.4	171.1	178.1	-152.3	-8.9	0	0	0	109.7	K77 Q80	D54-K77 WeakPolarHBondContact OD2-CE 3.02Å; D54-K77 IonicContact OD2-NZ 2.64Å; D54-K77 PolarHBondContact OD2-NZ 2.04Å; D54-Q80 PolarHBondContact OD1-NE2 3.36Å
55	I	91.4	Very high	90.4	Very high	24 Å²	24	52.5 Å²	52.5	12%	0.123	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-71.6	130.4	-175.5	-59.3	-172.8	0	0	0	110.8	I59 L68 I73 L76 Q80 F81	I55-I59 HydrophobicContact CG2-CD1 3.81Å; I55-L68 HydrophobicContact CD1-CD1 4.31Å; I55-L68 HydrophobicContact CG1-CD1 4.1Å; I55-L68 HydrophobicContact CG2-CD1 4.14Å; I55-I73 HydrophobicContact CG1-CD1 4.43Å; I55-L76 HydrophobicContact CD1-CD2 4.49Å; I55-Q80 HydrophobicContact CD1-CG 4.02Å; I55-F81 HydrophobicContact CD1-CD1 4.21Å; I55-F81 HydrophobicContact CD1-CE1 3.36Å; I55-F81 HydrophobicContact CD1-CE2 4.08Å; I55-F81 HydrophobicContact CD1-CZ 3.26Å
56	P	88.9	Confident	90.5	Very high	18 Å²	18	52.2 Å²	52.2	12%	0.117	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-59.3	138.5	179.6	-26.3	35.6	0	0	0	113.8	P35 C47 F52 I59 L68	P35-P56 HydrophobicContact CB-CB 3.76Å; P35-P56 HydrophobicContact CG-CB 4.26Å; C47-P56 HydrophobicContact CB-CG 4.33Å; F52-P56 HydrophobicContact CD1-CG 3.87Å; F52-P56 HydrophobicContact CD2-CG 4.22Å; F52-P56 HydrophobicContact CE1-CB 4.45Å; F52-P56 HydrophobicContact CE1-CG 3.73Å; F52-P56 HydrophobicContact CE2-CG 4.09Å; F52-P56 HydrophobicContact CG-CG 4.13Å; F52-P56 HydrophobicContact CZ-CG 3.84Å; P56-I59 HydrophobicContact CB-CD1 4.46Å; P56-I59 WeakPolarHBondContact O-CD1 3.3Å; P56-I59 WeakPolarHBondContact O-CG1 3.4Å; P56-L68 HydrophobicContact CG-CD2 4.17Å
57	E	84.3	Confident	90.6	Very high	162 Å²	162	48.9 Å²	48.9	76%	0.757	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	165.7	171.4	-63	-179.1	171.7	0	0	111.9	I59	E57-I59 PolarHBondContact O-N 2.68Å
58	N	84.5	Confident	90.7	Very high	125 Å²	125	48.9 Å²	48.9	67%	0.668	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	16.7	177.8	-56.8	-58.9	0	0	0	116.4	S60	N58-S60 PolarHBondContact O-N 2.93Å
59	I	89.8	Confident	90.9	Very high	22 Å²	22	49.4 Å²	49.4	11%	0.113	29%	0.292	C	S	.	.			trans	-61.8	120.2	167.1	-59.9	166.2	0	0	0	109.1	P35 V45 I55 P56 E57 G61 L66 L84	P35-I59 HydrophobicContact CG-CG1 3.69Å; V45-I59 HydrophobicContact CG2-CG2 4.31Å; I55-I59 HydrophobicContact CG2-CD1 3.81Å; P56-I59 HydrophobicContact CB-CD1 4.46Å; P56-I59 WeakPolarHBondContact O-CD1 3.3Å; P56-I59 WeakPolarHBondContact O-CG1 3.4Å; E57-I59 PolarHBondContact O-N 2.68Å; I59-G61 PolarHBondContact O-N 3.05Å; I59-L66 HydrophobicContact CD1-CD1 3.9Å; I59-L66 HydrophobicContact CD1-CD2 3.93Å; I59-L84 HydrophobicContact CB-CD2 4.08Å; I59-L84 HydrophobicContact CG2-CD1 3.99Å; I59-L84 HydrophobicContact CG2-CD2 3.61Å; I59-L84 HydrophobicContact CG2-CG 4.48Å
60	S	88.9	Confident	91.4	Very high	64 Å²	64	50.4 Å²	50.4	45%	0.448	29%	0.286	S	S	.	.			trans	-59.8	129.5	-179.9	-176.3	0	0	0	0	112.2	N58 G62 S63	N58-S60 PolarHBondContact O-N 2.93Å; S60-G62 PolarHBondContact O-N 2.68Å; S60-G62 VanDerWaalsContact O-N 3.1Å; S60-G62 PolarHBondContact OG-N 3.22Å; S60-S63 WeakPolarHBondContact O-CB 3.49Å; S60-S63 PolarHBondContact O-N 3.47Å; S60-S63 PolarHBondContact O-OG 3.12Å
61	G	88.3	Confident	92	Very high	28 Å²	28	45.9 Å²	45.9	29%	0.289	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-16.7	176.2	0	0	0	0	0	114.8	I59 S63 G83 Q86	I59-G61 PolarHBondContact O-N 3.05Å; G61-S63 PolarHBondContact O-N 3.38Å; G61-G83 VanDerWaalsContact CA-O 3.25Å; G61-G83 WeakPolarHBondContact CA-O 3.29Å; G61-Q86 WeakPolarHBondContact O-CG 3.49Å
62	G	90.4	Very high	92.5	Very high	34 Å²	34	44.5 Å²	44.5	35%	0.351	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-2	171.7	0	0	0	0	0	115	S60	S60-G62 PolarHBondContact O-N 2.68Å; S60-G62 VanDerWaalsContact O-N 3.1Å; S60-G62 PolarHBondContact OG-N 3.22Å
63	S	94.3	Very high	92.9	Very high	5 Å²	5	42.7 Å²	42.7	4%	0.035	24%	0.243	C	C	.	.			trans	-65.5	135.8	179.8	-60.2	0	0	0	0	112.2	K43 S60 G61 Q86 L87	K43-S63 CarbonylContact O-C 3.31Å; K43-S63 WeakPolarHBondContact O-CA 3.06Å; S60-S63 WeakPolarHBondContact O-CB 3.49Å; S60-S63 PolarHBondContact O-N 3.47Å; S60-S63 PolarHBondContact O-OG 3.12Å; G61-S63 PolarHBondContact O-N 3.38Å; S63-Q86 CarbonylContact O-C 3.57Å; S63-Q86 VanDerWaalsContact O-C 3.24Å; S63-Q86 WeakPolarHBondContact O-CB 3.44Å; S63-L87 WeakPolarHBondContact O-CA 3.45Å; S63-L87 PolarHBondContact O-N 3.34Å
64	Q	96.6	Very high	93.2	Very high	69 Å²	69	44.8 Å²	44.8	32%	0.322	24%	0.241	S	C	.	.	S	Bend	trans	-103.4	-17.4	178.1	-67.8	-178.2	-17.1	0	0	112.9	K43 I88 W89	K43-Q64 HydrophobicContact CB-CB 4.31Å; K43-Q64 HydrophobicContact CB-CG 4.21Å; K43-Q64 HydrophobicContact CD-CG 4.13Å; K43-Q64 PolarHBondContact O-N 3.07Å; Q64-I88 HydrophobicContact CB-CD1 4.07Å; Q64-I88 HydrophobicContact CB-CG1 4.16Å; Q64-I88 HydrophobicContact CG-CD1 4.16Å; Q64-I88 HydrophobicContact CG-CG1 4.46Å; Q64-I88 WeakPolarHBondContact O-CA 3.41Å; Q64-I88 WeakPolarHBondContact O-CB 3.2Å; Q64-I88 PolarHBondContact O-N 3.17Å; Q64-W89 PolarHBondContact O-N 3.11Å
65	G	97.1	Very high	93.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	138.9	175.7	0	0	0	0	0	111.4	K43 I44 V45 W89	K43-G65 PolarHBondContact O-N 3.4Å; I44-G65 WeakPolarHBondContact CA-O 3.31Å; V45-G65 PolarHBondContact N-O 3.41Å; G65-W89 VanDerWaalsContact CA-CE2 3.41Å
66	L	97.1	Very high	93.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	119.4	175.9	177.2	58.3	0	0	0	109.2	V45 I59 L68 F81 L84 L87 W89 L90 Y91	V45-L66 HydrophobicContact CB-CD1 4.05Å; V45-L66 HydrophobicContact CG1-CD1 4.12Å; V45-L66 WeakPolarHBondContact O-CA 3.25Å; I59-L66 HydrophobicContact CD1-CD1 3.9Å; I59-L66 HydrophobicContact CD1-CD2 3.93Å; L66-L68 HydrophobicContact CD1-CD1 4.24Å; L66-L68 HydrophobicContact CD1-CG 4.1Å; L66-L68 HydrophobicContact CD2-CD1 3.82Å; L66-L68 HydrophobicContact CG-CD1 3.92Å; L66-L68 HydrophobicContact CG-CG 4.14Å; L66-F81 HydrophobicContact CD2-CD1 4.45Å; L66-F81 HydrophobicContact CD2-CE1 4.28Å; L66-L84 HydrophobicContact CD2-CD1 3.7Å; L66-L87 HydrophobicContact CB-CD1 3.78Å; L66-W89 PolarHBondContact N-O 3.12Å; L66-L90 HydrophobicContact CB-CD1 4.14Å; L66-L90 HydrophobicContact CD2-CD1 4.04Å; L66-L90 HydrophobicContact CG-CD1 4.1Å; L66-L90 WeakPolarHBondContact O-CA 3.46Å; L66-Y91 PolarHBondContact O-N 3.01Å
67	S	97.4	Very high	94.1	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	121.1	175.2	-157.8	0	0	0	0	110	V45 C47 E48 R69	V45-S67 PolarHBondContact O-N 2.92Å; C47-S67 CarbonylContact C-O 3.07Å; C47-S67 WeakPolarHBondContact CA-O 3.24Å; C47-S67 PolarHBondContact N-O 3.03Å; E48-S67 WeakPolarHBondContact OE1-CB 3.27Å; E48-S67 PolarHBondContact OE1-OG 3.35Å; S67-R69 WeakPolarHBondContact OG-CD 3.37Å; S67-R69 WeakPolarHBondContact OG-CG 3.36Å
68	L	96.7	Very high	94.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.246	C	C	.	.			trans	-125.4	29.4	179.9	-75.7	163.1	0	0	0	110.8	C47 I55 P56 L66 N71 I73 Y91 L92 N95	C47-L68 HydrophobicContact CB-CD2 3.62Å; I55-L68 HydrophobicContact CD1-CD1 4.31Å; I55-L68 HydrophobicContact CG1-CD1 4.1Å; I55-L68 HydrophobicContact CG2-CD1 4.14Å; P56-L68 HydrophobicContact CG-CD2 4.17Å; L66-L68 HydrophobicContact CD1-CD1 4.24Å; L66-L68 HydrophobicContact CD1-CG 4.1Å; L66-L68 HydrophobicContact CD2-CD1 3.82Å; L66-L68 HydrophobicContact CG-CD1 3.92Å; L66-L68 HydrophobicContact CG-CG 4.14Å; L68-N71 PolarHBondContact O-ND2 3.23Å; L68-I73 HydrophobicContact CB-CD1 4.07Å; L68-I73 HydrophobicContact CD1-CD1 4.32Å; L68-I73 HydrophobicContact CD2-CD1 4.4Å; L68-Y91 PolarHBondContact N-O 3.09Å; L68-L92 HydrophobicContact CB-CD2 3.87Å; L68-L92 HydrophobicContact CD1-CD2 3.91Å; L68-N95 PolarHBondContact O-ND2 3.46Å
69	R	96.6	Very high	95.2	Very high	75 Å²	75	43.9 Å²	43.9	28%	0.283	23%	0.234	S	C	.	.			trans	-70.1	152.5	-174.1	-52.8	176.3	78.3	152.1	12.5	112.2	E48 S49 S67 N71 D93	E48-R69 VanDerWaalsContact CA-O 3.31Å; E48-R69 WeakPolarHBondContact CA-O 3.13Å; E48-R69 HydrophobicContact CG-CB 4.23Å; S49-R69 PolarHBondContact N-O 2.89Å; S49-R69 VanDerWaalsContact N-O 3.11Å; S67-R69 WeakPolarHBondContact OG-CD 3.37Å; S67-R69 WeakPolarHBondContact OG-CG 3.36Å; R69-N71 VanDerWaalsContact C-N 3.32Å; R69-N71 PolarHBondContact O-N 3.18Å; R69-N71 PolarHBondContact O-ND2 3.44Å; R69-D93 WeakPolarHBondContact CA-O 3.31Å; R69-D93 WeakPolarHBondContact CG-OD1 3.16Å; R69-D93 IonicContact CZ-OD1 2.68Å; R69-D93 VanDerWaalsContact CZ-OD1 3.24Å; R69-D93 IonicContact CZ-OD2 3.63Å; R69-D93 VanDerWaalsContact NE-CG 3.25Å; R69-D93 IonicContact NE-OD1 2.61Å; R69-D93 PolarHBondContact NE-OD1 3.42Å; R69-D93 IonicContact NE-OD2 3.22Å; R69-D93 PolarHBondContact NE-OD2 2.83Å; R69-D93 VanDerWaalsContact NH2-CG 3.27Å; R69-D93 IonicContact NH2-OD1 2.86Å; R69-D93 PolarHBondContact NH2-OD1 3.48Å; R69-D93 IonicContact NH2-OD2 2.7Å; R69-D93 PolarHBondContact NH2-OD2 2.78Å
70	F	96.6	Very high	95.3	Very high	103 Å²	103	45.2 Å²	45.2	45%	0.452	24%	0.24	S	C	.	.	S	Bend	trans	58	40.1	175.5	-56.3	-80.7	0	0	0	113.5	S49 D93 H94	S49-F70 VanDerWaalsContact CA-O 3.3Å; S49-F70 WeakPolarHBondContact CA-O 3.42Å; F70-D93 PolarHBondContact N-O 2.93Å; F70-H94 WeakPolarHBondContact CA-O 3.31Å; F70-H94 HydrophobicContact CD1-CB 3.41Å; F70-H94 VanDerWaalsContact CD1-CB 3.41Å; F70-H94 AromaticContact CD1-CG 3.83Å; F70-H94 HydrophobicContact CE1-CB 3.51Å; F70-H94 AromaticContact CE1-CD2 3.71Å; F70-H94 AromaticContact CE1-CG 3.33Å; F70-H94 AromaticContact CE1-ND1 3.73Å; F70-H94 HydrophobicContact CG-CB 4Å; F70-H94 HydrophobicContact CZ-CB 4.16Å; F70-H94 AromaticContact CZ-CG 3.77Å; F70-H94 AromaticContact CZ-ND1 3.64Å; F70-H94 PolarHBondContact N-O 2.76Å
71	N	96.4	Very high	95.6	Very high	5 Å²	5	42.2 Å²	42.2	3%	0.027	22%	0.219	C	C	.	.	S	Bend	trans	-115.1	-170.8	177.9	-73.6	-57.8	0	0	0	111.2	C47 H50 A51 F52 L68 R69 I73 H94 N95	C47-N71 PolarHBondContact O-ND2 3.26Å; H50-N71 PolarHBondContact N-OD1 3.13Å; A51-N71 PolarHBondContact N-OD1 3.09Å; A51-N71 VanDerWaalsContact N-OD1 3.12Å; F52-N71 HydrophobicContact CB-CB 4.15Å; F52-N71 WeakPolarHBondContact CD2-OD1 3.38Å; F52-N71 PolarHBondContact N-OD1 2.83Å; L68-N71 PolarHBondContact O-ND2 3.23Å; R69-N71 VanDerWaalsContact C-N 3.32Å; R69-N71 PolarHBondContact O-N 3.18Å; R69-N71 PolarHBondContact O-ND2 3.44Å; N71-I73 HydrophobicContact CB-CG1 4.31Å; N71-H94 PolarHBondContact N-O 3.38Å; N71-N95 WeakPolarHBondContact CA-OD1 3.25Å; N71-N95 VanDerWaalsContact CB-OD1 3.23Å; N71-N95 WeakPolarHBondContact CB-OD1 3.38Å; N71-N95 PolarHBondContact O-OD1 3.4Å
72	S	96.9	Very high	95.8	Very high	34 Å²	34	42.7 Å²	42.7	24%	0.238	22%	0.22	C	C	.	.			trans	-108	18	-174.6	-59.7	0	0	0	0	112.9	A51 F52 Q74	A51-S72 PolarHBondContact O-OG 3.39Å; F52-S72 CarbonylContact O-C 3.38Å; F52-S72 VanDerWaalsContact O-C 3.3Å; F52-S72 WeakPolarHBondContact O-CA 3.44Å; F52-S72 PolarHBondContact O-N 2.85Å; S72-Q74 VanDerWaalsContact O-CG 3.27Å; S72-Q74 WeakPolarHBondContact O-CG 3.43Å; S72-Q74 PolarHBondContact O-N 3.31Å
73	I	96.8	Very high	95.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.23	C	C	.	.			trans	-64	127.2	-174.6	-54.8	174.4	0	0	0	109.3	F52 I55 L68 N71 L76 L92 N95 Y96 I97	F52-I73 WeakPolarHBondContact O-CG1 3.49Å; F52-I73 PolarHBondContact O-N 2.88Å; F52-I73 VanDerWaalsContact O-N 3.14Å; I55-I73 HydrophobicContact CG1-CD1 4.43Å; L68-I73 HydrophobicContact CB-CD1 4.07Å; L68-I73 HydrophobicContact CD1-CD1 4.32Å; L68-I73 HydrophobicContact CD2-CD1 4.4Å; N71-I73 HydrophobicContact CB-CG1 4.31Å; I73-L76 HydrophobicContact CG2-CD2 4.27Å; I73-L92 HydrophobicContact CD1-CD2 4.12Å; I73-N95 HydrophobicContact CB-CB 4.44Å; I73-N95 VanDerWaalsContact CB-OD1 3.3Å; I73-N95 WeakPolarHBondContact CB-OD1 3.3Å; I73-N95 WeakPolarHBondContact CG1-OD1 3.45Å; I73-N95 PolarHBondContact N-OD1 2.74Å; I73-Y96 CarbonylContact O-C 3.07Å; I73-Y96 WeakPolarHBondContact O-CA 3.29Å; I73-Y96 PolarHBondContact O-N 3Å; I73-I97 HydrophobicContact CB-CG1 4.35Å; I73-I97 HydrophobicContact CG2-CD1 4.5Å; I73-I97 HydrophobicContact CG2-CG1 4.13Å; I73-I97 WeakPolarHBondContact O-CG1 3.21Å; I73-I97 PolarHBondContact O-N 2.68Å
74	Q	96.6	Very high	95.8	Very high	114 Å²	114	44.1 Å²	44.1	53%	0.533	23%	0.232	S	C	.	.			trans	-107.4	-21.7	-172	-54.6	-169.6	17.3	0	0	114.7	S72 I97 S98	S72-Q74 VanDerWaalsContact O-CG 3.27Å; S72-Q74 WeakPolarHBondContact O-CG 3.43Å; S72-Q74 PolarHBondContact O-N 3.31Å; Q74-I97 WeakPolarHBondContact O-CA 3.27Å; Q74-S98 PolarHBondContact O-N 2.03Å; Q74-S98 PolarHBondContact O-OG 3.43Å
75	K	96.8	Very high	95.7	Very high	122 Å²	122	44.6 Å²	44.6	53%	0.53	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	148.6	-175.6	-56.7	-173.6	179.1	178.5	0	109.5	S99	K75-S99 WeakPolarHBondContact CA-O 3.23Å; K75-S99 WeakPolarHBondContact CG-OG 3.45Å
76	L	97.3	Very high	95.7	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.016	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	126.2	165.1	-56.8	179.5	0	0	0	108.7	I55 I73 F81 L92 I97 S99 V100 D101 A104 F105 L116	I55-L76 HydrophobicContact CD1-CD2 4.49Å; I73-L76 HydrophobicContact CG2-CD2 4.27Å; L76-F81 HydrophobicContact CD1-CE2 4.5Å; L76-F81 HydrophobicContact CD2-CE2 4.43Å; L76-F81 HydrophobicContact CD2-CZ 4.3Å; L76-L92 HydrophobicContact CD1-CD1 3.95Å; L76-L92 HydrophobicContact CD2-CD1 4.27Å; L76-L92 HydrophobicContact CD2-CD2 4.39Å; L76-I97 HydrophobicContact CD1-CD1 4.3Å; L76-I97 HydrophobicContact CD2-CD1 4.02Å; L76-I97 HydrophobicContact CG-CD1 4.15Å; L76-I97 HydrophobicContact CG-CG2 4.08Å; L76-S99 PolarHBondContact N-O 3.33Å; L76-V100 HydrophobicContact CB-CG1 4.32Å; L76-V100 HydrophobicContact CD1-CG1 4.2Å; L76-V100 HydrophobicContact CD1-CG2 4.06Å; L76-V100 HydrophobicContact CG-CG2 4.38Å; L76-D101 WeakPolarHBondContact O-CB 3.49Å; L76-D101 PolarHBondContact O-N 3.1Å; L76-D101 VanDerWaalsContact O-N 3.07Å; L76-A104 HydrophobicContact CB-CB 4.08Å; L76-F105 HydrophobicContact CD1-CE1 3.89Å; L76-F105 HydrophobicContact CD1-CZ 3.61Å; L76-L116 HydrophobicContact CD1-CD2 4.11Å
77	K	96.1	Very high	95.7	Very high	112 Å²	112	47.4 Å²	47.4	49%	0.487	25%	0.25	S	C	.	.			trans	-89.7	159	-175.7	-60.7	165.2	176.9	170.9	0	111.3	D54 Q80 A104	D54-K77 WeakPolarHBondContact OD2-CE 3.02Å; D54-K77 IonicContact OD2-NZ 2.64Å; D54-K77 PolarHBondContact OD2-NZ 2.04Å; K77-Q80 HydrophobicContact CB-CB 4.27Å; K77-Q80 WeakPolarHBondContact O-CB 3.19Å; K77-Q80 PolarHBondContact O-N 3.25Å; K77-A104 WeakPolarHBondContact O-CA 3.04Å
78	S	96.5	Very high	95.8	Very high	54 Å²	54	49.1 Å²	49.1	38%	0.378	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	137.9	171.9	-171.5	0	0	0	0	112	Q80 D101 D103	S78-Q80 PolarHBondContact O-N 3.33Å; S78-D101 VanDerWaalsContact CA-CG 3.48Å; S78-D101 VanDerWaalsContact CA-OD1 3.27Å; S78-D101 WeakPolarHBondContact CA-OD1 3.49Å; S78-D101 VanDerWaalsContact CB-OD1 3.24Å; S78-D101 WeakPolarHBondContact CB-OD1 3.48Å; S78-D101 VanDerWaalsContact N-CG 3.32Å; S78-D103 WeakPolarHBondContact OG-CB 3.4Å
79	N	94.9	Very high	95.8	Very high	78 Å²	78	51 Å²	51	42%	0.417	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	12.6	175.1	-70.6	-90.3	0	0	0	116.2	F81 A82 D103 Q106	N79-F81 PolarHBondContact O-N 3.42Å; N79-A82 HydrophobicContact CB-CB 4.3Å; N79-A82 WeakPolarHBondContact O-CB 3.36Å; N79-A82 PolarHBondContact O-N 2.77Å; N79-D103 PolarHBondContact N-O 3.28Å; N79-Q106 WeakPolarHBondContact OD1-CB 3.28Å; N79-Q106 VanDerWaalsContact OD1-CG 3.22Å; N79-Q106 WeakPolarHBondContact OD1-CG 3.49Å
80	Q	93.4	Very high	95.9	Very high	50 Å²	50	47.4 Å²	47.4	23%	0.234	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-21.8	-167.1	-163.8	172.8	1.6	0	0	114.4	D54 I55 K77 S78	D54-Q80 PolarHBondContact OD1-NE2 3.36Å; I55-Q80 HydrophobicContact CD1-CG 4.02Å; K77-Q80 HydrophobicContact CB-CB 4.27Å; K77-Q80 WeakPolarHBondContact O-CB 3.19Å; K77-Q80 PolarHBondContact O-N 3.25Å; S78-Q80 PolarHBondContact O-N 3.33Å
81	F	95.1	Very high	96	Very high	1 Å²	1	44.8 Å²	44.8	0%	0.004	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	3.1	175.5	-57.4	-84.1	0	0	0	114.1	I55 L66 L76 N79 G83 L84 L90 L92 A104 F105 I108	I55-F81 HydrophobicContact CD1-CD1 4.21Å; I55-F81 HydrophobicContact CD1-CE1 3.36Å; I55-F81 HydrophobicContact CD1-CE2 4.08Å; I55-F81 HydrophobicContact CD1-CZ 3.26Å; L66-F81 HydrophobicContact CD2-CD1 4.45Å; L66-F81 HydrophobicContact CD2-CE1 4.28Å; L76-F81 HydrophobicContact CD1-CE2 4.5Å; L76-F81 HydrophobicContact CD2-CE2 4.43Å; L76-F81 HydrophobicContact CD2-CZ 4.3Å; N79-F81 PolarHBondContact O-N 3.42Å; F81-G83 VanDerWaalsContact C-N 3.27Å; F81-G83 PolarHBondContact O-N 2.85Å; F81-G83 VanDerWaalsContact O-N 3.08Å; F81-L84 HydrophobicContact CD1-CD1 4.31Å; F81-L84 WeakPolarHBondContact O-CB 3.05Å; F81-L84 PolarHBondContact O-N 3.37Å; F81-L90 HydrophobicContact CD1-CD1 4.43Å; F81-L90 HydrophobicContact CD1-CD2 3.95Å; F81-L90 HydrophobicContact CD2-CD2 4.38Å; F81-L90 HydrophobicContact CE1-CD1 3.73Å; F81-L90 HydrophobicContact CE1-CD2 3.59Å; F81-L90 HydrophobicContact CE1-CG 4.32Å; F81-L90 HydrophobicContact CE2-CD2 4.08Å; F81-L90 HydrophobicContact CG-CD2 4.34Å; F81-L90 HydrophobicContact CZ-CD1 4.3Å; F81-L90 HydrophobicContact CZ-CD2 3.68Å; F81-L92 HydrophobicContact CZ-CD1 3.92Å; F81-A104 WeakPolarHBondContact CD2-O 3.4Å; F81-F105 HydrophobicContact CD2-CD1 4.01Å; F81-F105 HydrophobicContact CD2-CE1 4.38Å; F81-F105 AromaticContact CE2-CD1 4Å; F81-F105 HydrophobicContact CE2-CD1 4Å; F81-F105 AromaticContact CE2-CE1 3.88Å; F81-F105 HydrophobicContact CE2-CE1 3.88Å; F81-I108 HydrophobicContact CB-CD1 3.95Å; F81-I108 HydrophobicContact CB-CG1 4.38Å; F81-I108 HydrophobicContact CB-CG2 3.6Å; F81-I108 HydrophobicContact CD2-CD1 4.46Å; F81-I108 HydrophobicContact CG-CD1 4.2Å; F81-I108 WeakPolarHBondContact O-CG2 3.01Å
82	A	92.4	Very high	96.1	Very high	38 Å²	38	44.6 Å²	44.6	31%	0.314	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-30.9	-164.7	0	0	0	0	0	115	N79 L84	N79-A82 HydrophobicContact CB-CB 4.3Å; N79-A82 WeakPolarHBondContact O-CB 3.36Å; N79-A82 PolarHBondContact O-N 2.77Å; A82-L84 VanDerWaalsContact C-N 3.28Å; A82-L84 PolarHBondContact O-N 3.23Å
83	G	90.6	Very high	96.2	Very high	55 Å²	55	43 Å²	43	57%	0.567	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-17.7	174.7	0	0	0	0	0	114.8	G61 F81 N85	G61-G83 VanDerWaalsContact CA-O 3.25Å; G61-G83 WeakPolarHBondContact CA-O 3.29Å; F81-G83 VanDerWaalsContact C-N 3.27Å; F81-G83 PolarHBondContact O-N 2.85Å; F81-G83 VanDerWaalsContact O-N 3.08Å; G83-N85 VanDerWaalsContact C-N 3.28Å; G83-N85 PolarHBondContact O-N 3.36Å
84	L	94.5	Very high	96.2	Very high	14 Å²	14	46.6 Å²	46.6	7%	0.073	24%	0.244	C	C	.	.			trans	-91.7	44.1	-174.1	-52.3	-173	0	0	0	112.3	I59 L66 F81 A82 Q86 L87 I108	I59-L84 HydrophobicContact CB-CD2 4.08Å; I59-L84 HydrophobicContact CG2-CD1 3.99Å; I59-L84 HydrophobicContact CG2-CD2 3.61Å; I59-L84 HydrophobicContact CG2-CG 4.48Å; L66-L84 HydrophobicContact CD2-CD1 3.7Å; F81-L84 HydrophobicContact CD1-CD1 4.31Å; F81-L84 WeakPolarHBondContact O-CB 3.05Å; F81-L84 PolarHBondContact O-N 3.37Å; A82-L84 VanDerWaalsContact C-N 3.28Å; A82-L84 PolarHBondContact O-N 3.23Å; L84-Q86 PolarHBondContact O-N 2.93Å; L84-L87 HydrophobicContact CB-CB 4.35Å; L84-L87 WeakPolarHBondContact O-CB 3.13Å; L84-L87 PolarHBondContact O-N 3.13Å; L84-I108 HydrophobicContact CB-CG2 4.19Å; L84-I108 WeakPolarHBondContact O-CG2 3.19Å
85	N	94.3	Very high	96.3	Very high	79 Å²	79	41.3 Å²	41.3	42%	0.422	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-11.5	-170.3	64.9	37.1	0	0	0	115.3	G83 R110	G83-N85 VanDerWaalsContact C-N 3.28Å; G83-N85 PolarHBondContact O-N 3.36Å; N85-R110 WeakPolarHBondContact O-CD 3.19Å; N85-R110 WeakPolarHBondContact O-CG 3.1Å
86	Q	96.7	Very high	96.3	Very high	58 Å²	58	40.9 Å²	40.9	27%	0.271	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-5.1	173.3	-59.2	-50.4	-54.7	0	0	115	G61 S63 L84 I88	G61-Q86 WeakPolarHBondContact O-CG 3.49Å; S63-Q86 CarbonylContact O-C 3.57Å; S63-Q86 VanDerWaalsContact O-C 3.24Å; S63-Q86 WeakPolarHBondContact O-CB 3.44Å; L84-Q86 PolarHBondContact O-N 2.93Å; Q86-I88 WeakPolarHBondContact O-CG1 3.49Å; Q86-I88 PolarHBondContact O-N 3.47Å
87	L	97.6	Very high	96.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.215	C	C	.	.			trans	-62.8	130.5	-171.3	-161.7	65.8	0	0	0	112.5	S63 L66 L84 W89 L90 I108 R110 L111	S63-L87 WeakPolarHBondContact O-CA 3.45Å; S63-L87 PolarHBondContact O-N 3.34Å; L66-L87 HydrophobicContact CB-CD1 3.78Å; L84-L87 HydrophobicContact CB-CB 4.35Å; L84-L87 WeakPolarHBondContact O-CB 3.13Å; L84-L87 PolarHBondContact O-N 3.13Å; L87-W89 WeakPolarHBondContact CD1-O 3.47Å; L87-L90 HydrophobicContact CD2-CB 4.02Å; L87-L90 HydrophobicContact CD2-CD1 4.38Å; L87-L90 HydrophobicContact CD2-CD2 4.28Å; L87-L90 HydrophobicContact CD2-CG 4.46Å; L87-I108 HydrophobicContact CB-CG2 4.35Å; L87-I108 HydrophobicContact CD2-CD1 4.31Å; L87-I108 HydrophobicContact CD2-CG2 4.38Å; L87-R110 CarbonylContact O-C 3.3Å; L87-R110 WeakPolarHBondContact O-CB 3.47Å; L87-L111 HydrophobicContact CD2-CD1 4.15Å; L87-L111 HydrophobicContact CG-CD1 4.03Å; L87-L111 WeakPolarHBondContact O-CA 3.47Å; L87-L111 PolarHBondContact O-N 3.46Å; L87-L111 VanDerWaalsContact O-N 3.16Å
88	I	98.3	Very high	96.4	Very high	37 Å²	37	37.6 Å²	37.6	19%	0.19	21%	0.207	C	C	.	.			trans	-109.1	-36.2	-178.7	-54	-177.1	0	0	0	110.4	Q64 Q86 K112 E113	Q64-I88 HydrophobicContact CB-CD1 4.07Å; Q64-I88 HydrophobicContact CB-CG1 4.16Å; Q64-I88 HydrophobicContact CG-CD1 4.16Å; Q64-I88 HydrophobicContact CG-CG1 4.46Å; Q64-I88 WeakPolarHBondContact O-CA 3.41Å; Q64-I88 WeakPolarHBondContact O-CB 3.2Å; Q64-I88 PolarHBondContact O-N 3.17Å; Q86-I88 WeakPolarHBondContact O-CG1 3.49Å; Q86-I88 PolarHBondContact O-N 3.47Å; I88-K112 HydrophobicContact CG2-CB 4.24Å; I88-K112 HydrophobicContact CG2-CD 3.71Å; I88-K112 HydrophobicContact CG2-CG 4Å; I88-K112 PolarHBondContact O-N 2.8Å; I88-E113 PolarHBondContact O-N 3.24Å
89	W	98.1	Very high	96.4	Very high	39 Å²	39	37.5 Å²	37.5	15%	0.148	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	146.6	175.5	56.5	-101.1	0	0	0	112.1	I44 Y46 Q64 G65 L66 L87 Y91 E113	I44-W89 HydrophobicContact CB-CZ2 4.29Å; I44-W89 HydrophobicContact CD1-CZ2 4.06Å; I44-W89 HydrophobicContact CG1-CZ2 3.95Å; I44-W89 HydrophobicContact CG2-CH2 3.34Å; I44-W89 HydrophobicContact CG2-CZ2 3.35Å; Y46-W89 HydrophobicContact CE1-CH2 4.15Å; Q64-W89 PolarHBondContact O-N 3.11Å; G65-W89 VanDerWaalsContact CA-CE2 3.41Å; L66-W89 PolarHBondContact N-O 3.12Å; L87-W89 WeakPolarHBondContact CD1-O 3.47Å; W89-Y91 HydrophobicContact CB-CE1 4.28Å; W89-Y91 HydrophobicContact CD2-CE1 4.45Å; W89-Y91 HydrophobicContact CD2-CE2 4.1Å; W89-Y91 AromaticContact CD2-CZ 3.97Å; W89-Y91 HydrophobicContact CE3-CD1 4.16Å; W89-Y91 AromaticContact CE3-CD2 3.64Å; W89-Y91 HydrophobicContact CE3-CD2 3.64Å; W89-Y91 AromaticContact CE3-CE1 3.99Å; W89-Y91 HydrophobicContact CE3-CE1 3.99Å; W89-Y91 AromaticContact CE3-CE2 3.42Å; W89-Y91 HydrophobicContact CE3-CE2 3.42Å; W89-Y91 VanDerWaalsContact CE3-CE2 3.42Å; W89-Y91 HydrophobicContact CE3-CG 4Å; W89-Y91 AromaticContact CE3-CZ 3.62Å; W89-Y91 HydrophobicContact CH2-CD2 4.3Å; W89-Y91 AromaticContact CH2-CE2 3.98Å; W89-Y91 HydrophobicContact CH2-CE2 3.98Å; W89-Y91 AromaticContact CZ3-CD2 3.41Å; W89-Y91 HydrophobicContact CZ3-CD2 3.41Å; W89-Y91 VanDerWaalsContact CZ3-CD2 3.41Å; W89-Y91 AromaticContact CZ3-CE2 3.37Å; W89-Y91 HydrophobicContact CZ3-CE2 3.37Å; W89-Y91 HydrophobicContact CZ3-CG 4.12Å; W89-E113 WeakPolarHBondContact CA-O 3.26Å; W89-E113 HydrophobicContact CB-CB 3.94Å; W89-E113 HydrophobicContact CB-CG 4.42Å
90	L	98.4	Very high	96.6	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	117.7	-177.3	175.8	54.5	0	0	0	109.6	L66 F81 L87 L92 F105 I108 L111 E113 L114 I115	L66-L90 HydrophobicContact CB-CD1 4.14Å; L66-L90 HydrophobicContact CD2-CD1 4.04Å; L66-L90 HydrophobicContact CG-CD1 4.1Å; L66-L90 WeakPolarHBondContact O-CA 3.46Å; F81-L90 HydrophobicContact CD1-CD1 4.43Å; F81-L90 HydrophobicContact CD1-CD2 3.95Å; F81-L90 HydrophobicContact CD2-CD2 4.38Å; F81-L90 HydrophobicContact CE1-CD1 3.73Å; F81-L90 HydrophobicContact CE1-CD2 3.59Å; F81-L90 HydrophobicContact CE1-CG 4.32Å; F81-L90 HydrophobicContact CE2-CD2 4.08Å; F81-L90 HydrophobicContact CG-CD2 4.34Å; F81-L90 HydrophobicContact CZ-CD1 4.3Å; F81-L90 HydrophobicContact CZ-CD2 3.68Å; L87-L90 HydrophobicContact CD2-CB 4.02Å; L87-L90 HydrophobicContact CD2-CD1 4.38Å; L87-L90 HydrophobicContact CD2-CD2 4.28Å; L87-L90 HydrophobicContact CD2-CG 4.46Å; L90-L92 HydrophobicContact CD1-CD1 4.09Å; L90-L92 HydrophobicContact CD1-CG 4.03Å; L90-L92 HydrophobicContact CD2-CD1 3.92Å; L90-L92 HydrophobicContact CG-CD1 3.83Å; L90-L92 HydrophobicContact CG-CG 4.15Å; L90-F105 HydrophobicContact CD2-CD1 4.32Å; L90-F105 HydrophobicContact CD2-CE1 4.15Å; L90-I108 HydrophobicContact CD2-CD1 4.1Å; L90-L111 HydrophobicContact CB-CD1 3.82Å; L90-E113 PolarHBondContact N-O 2.73Å; L90-L114 HydrophobicContact CB-CD1 4.14Å; L90-L114 HydrophobicContact CD2-CD1 3.93Å; L90-L114 HydrophobicContact CG-CD1 4.01Å; L90-I115 PolarHBondContact O-N 3.41Å
91	Y	98.6	Very high	96.7	Very high	48 Å²	48	34.4 Å²	34.4	19%	0.188	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	120.3	178.2	-51.8	-32.8	0	0	0	110.6	L66 L68 W89 E113 I115	L66-Y91 PolarHBondContact O-N 3.01Å; L68-Y91 PolarHBondContact N-O 3.09Å; W89-Y91 HydrophobicContact CB-CE1 4.28Å; W89-Y91 HydrophobicContact CD2-CE1 4.45Å; W89-Y91 HydrophobicContact CD2-CE2 4.1Å; W89-Y91 AromaticContact CD2-CZ 3.97Å; W89-Y91 HydrophobicContact CE3-CD1 4.16Å; W89-Y91 AromaticContact CE3-CD2 3.64Å; W89-Y91 HydrophobicContact CE3-CD2 3.64Å; W89-Y91 AromaticContact CE3-CE1 3.99Å; W89-Y91 HydrophobicContact CE3-CE1 3.99Å; W89-Y91 AromaticContact CE3-CE2 3.42Å; W89-Y91 HydrophobicContact CE3-CE2 3.42Å; W89-Y91 VanDerWaalsContact CE3-CE2 3.42Å; W89-Y91 HydrophobicContact CE3-CG 4Å; W89-Y91 AromaticContact CE3-CZ 3.62Å; W89-Y91 HydrophobicContact CH2-CD2 4.3Å; W89-Y91 AromaticContact CH2-CE2 3.98Å; W89-Y91 HydrophobicContact CH2-CE2 3.98Å; W89-Y91 AromaticContact CZ3-CD2 3.41Å; W89-Y91 HydrophobicContact CZ3-CD2 3.41Å; W89-Y91 VanDerWaalsContact CZ3-CD2 3.41Å; W89-Y91 AromaticContact CZ3-CE2 3.37Å; W89-Y91 HydrophobicContact CZ3-CE2 3.37Å; W89-Y91 HydrophobicContact CZ3-CG 4.12Å; Y91-E113 HydrophobicContact CE1-CG 4.15Å; Y91-I115 HydrophobicContact CD1-CB 3.84Å; Y91-I115 HydrophobicContact CD1-CG1 3.45Å; Y91-I115 VanDerWaalsContact CD1-CG1 3.45Å; Y91-I115 HydrophobicContact CE1-CG1 3.69Å
92	L	98.3	Very high	96.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.202	C	C	.	.			trans	-130.1	13.2	-176.6	-74.5	162.5	0	0	0	111.5	L68 I73 L76 F81 L90 N95 I97 F105 I115 L116 N119	L68-L92 HydrophobicContact CB-CD2 3.87Å; L68-L92 HydrophobicContact CD1-CD2 3.91Å; I73-L92 HydrophobicContact CD1-CD2 4.12Å; L76-L92 HydrophobicContact CD1-CD1 3.95Å; L76-L92 HydrophobicContact CD2-CD1 4.27Å; L76-L92 HydrophobicContact CD2-CD2 4.39Å; F81-L92 HydrophobicContact CZ-CD1 3.92Å; L90-L92 HydrophobicContact CD1-CD1 4.09Å; L90-L92 HydrophobicContact CD1-CG 4.03Å; L90-L92 HydrophobicContact CD2-CD1 3.92Å; L90-L92 HydrophobicContact CG-CD1 3.83Å; L90-L92 HydrophobicContact CG-CG 4.15Å; L92-N95 WeakPolarHBondContact O-CB 3.36Å; L92-N95 PolarHBondContact O-ND2 3.3Å; L92-N95 VanDerWaalsContact O-ND2 3.09Å; L92-I97 HydrophobicContact CB-CD1 3.98Å; L92-I97 HydrophobicContact CD2-CD1 4.35Å; L92-F105 HydrophobicContact CD1-CE1 4.49Å; L92-I115 PolarHBondContact N-O 2.9Å; L92-L116 HydrophobicContact CB-CD2 3.86Å; L92-L116 HydrophobicContact CD1-CD2 3.8Å; L92-N119 PolarHBondContact O-ND2 2.86Å
93	D	98.3	Very high	97	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.204	C	C	.	.			trans	-72.4	161.7	-178	59.9	-80.7	0	0	0	113.9	R69 F70 N95 I115 S117	R69-D93 WeakPolarHBondContact CA-O 3.31Å; R69-D93 WeakPolarHBondContact CG-OD1 3.16Å; R69-D93 IonicContact CZ-OD1 2.68Å; R69-D93 VanDerWaalsContact CZ-OD1 3.24Å; R69-D93 IonicContact CZ-OD2 3.63Å; R69-D93 VanDerWaalsContact NE-CG 3.25Å; R69-D93 IonicContact NE-OD1 2.61Å; R69-D93 PolarHBondContact NE-OD1 3.42Å; R69-D93 IonicContact NE-OD2 3.22Å; R69-D93 PolarHBondContact NE-OD2 2.83Å; R69-D93 VanDerWaalsContact NH2-CG 3.27Å; R69-D93 IonicContact NH2-OD1 2.86Å; R69-D93 PolarHBondContact NH2-OD1 3.48Å; R69-D93 IonicContact NH2-OD2 2.7Å; R69-D93 PolarHBondContact NH2-OD2 2.78Å; F70-D93 PolarHBondContact N-O 2.93Å; D93-N95 VanDerWaalsContact C-N 3.3Å; D93-N95 PolarHBondContact O-N 3.34Å; D93-N95 PolarHBondContact O-ND2 3.45Å; D93-N95 VanDerWaalsContact O-ND2 3.13Å; D93-I115 HydrophobicContact CB-CG2 4.01Å; D93-I115 PolarHBondContact N-O 3.43Å; D93-S117 WeakPolarHBondContact CA-O 3.18Å; D93-S117 WeakPolarHBondContact CB-O 3.34Å
94	H	98.2	Very high	97.3	Very high	77 Å²	77	35.5 Å²	35.5	36%	0.356	18%	0.177	S	C	.	.	S	Bend	trans	55.3	47.2	-175	-58	86.7	0	0	0	111.8	F70 N71 S117 S118	F70-H94 WeakPolarHBondContact CA-O 3.31Å; F70-H94 HydrophobicContact CD1-CB 3.41Å; F70-H94 VanDerWaalsContact CD1-CB 3.41Å; F70-H94 AromaticContact CD1-CG 3.83Å; F70-H94 HydrophobicContact CE1-CB 3.51Å; F70-H94 AromaticContact CE1-CD2 3.71Å; F70-H94 AromaticContact CE1-CG 3.33Å; F70-H94 AromaticContact CE1-ND1 3.73Å; F70-H94 HydrophobicContact CG-CB 4Å; F70-H94 HydrophobicContact CZ-CB 4.16Å; F70-H94 AromaticContact CZ-CG 3.77Å; F70-H94 AromaticContact CZ-ND1 3.64Å; F70-H94 PolarHBondContact N-O 2.76Å; N71-H94 PolarHBondContact N-O 3.38Å; H94-S117 PolarHBondContact N-O 3.17Å; H94-S118 VanDerWaalsContact CA-O 3.27Å; H94-S118 WeakPolarHBondContact CA-O 3.38Å; H94-S118 WeakPolarHBondContact CD2-CB 3.21Å; H94-S118 PolarHBondContact CD2-OG 3.25Å; H94-S118 PolarHBondContact CE1-OG 3.15Å; H94-S118 PolarHBondContact N-O 2.94Å; H94-S118 WeakPolarHBondContact NE2-CB 3.43Å; H94-S118 PolarHBondContact NE2-OG 3.13Å
95	N	97.9	Very high	97.5	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.016	17%	0.174	C	C	.	.	S	Bend	trans	-119.7	-169.5	173.2	-85.8	-91.5	0	0	0	109.4	L68 N71 I73 L92 D93 I97 S118 N119	L68-N95 PolarHBondContact O-ND2 3.46Å; N71-N95 WeakPolarHBondContact CA-OD1 3.25Å; N71-N95 VanDerWaalsContact CB-OD1 3.23Å; N71-N95 WeakPolarHBondContact CB-OD1 3.38Å; N71-N95 PolarHBondContact O-OD1 3.4Å; I73-N95 HydrophobicContact CB-CB 4.44Å; I73-N95 VanDerWaalsContact CB-OD1 3.3Å; I73-N95 WeakPolarHBondContact CB-OD1 3.3Å; I73-N95 WeakPolarHBondContact CG1-OD1 3.45Å; I73-N95 PolarHBondContact N-OD1 2.74Å; L92-N95 WeakPolarHBondContact O-CB 3.36Å; L92-N95 PolarHBondContact O-ND2 3.3Å; L92-N95 VanDerWaalsContact O-ND2 3.09Å; D93-N95 VanDerWaalsContact C-N 3.3Å; D93-N95 PolarHBondContact O-N 3.34Å; D93-N95 PolarHBondContact O-ND2 3.45Å; D93-N95 VanDerWaalsContact O-ND2 3.13Å; N95-I97 HydrophobicContact CB-CD1 4.28Å; N95-I97 HydrophobicContact CB-CG1 4.05Å; N95-S118 PolarHBondContact N-O 2.94Å; N95-N119 WeakPolarHBondContact CA-OD1 3.5Å; N95-N119 WeakPolarHBondContact CB-OD1 3.28Å; N95-N119 PolarHBondContact O-OD1 2.74Å
96	Y	97.6	Very high	97.6	Very high	113 Å²	113	33.7 Å²	33.7	44%	0.443	17%	0.166	S	C	.	.			trans	-114.5	23.9	178.8	-58.5	-42.1	0	0	0	112.9	I73 S98 N119 K120	I73-Y96 CarbonylContact O-C 3.07Å; I73-Y96 WeakPolarHBondContact O-CA 3.29Å; I73-Y96 PolarHBondContact O-N 3Å; Y96-S98 PolarHBondContact O-N 2.98Å; Y96-S98 VanDerWaalsContact O-N 3.17Å; Y96-N119 PolarHBondContact N-OD1 3.22Å; Y96-K120 HydrophobicContact CD1-CD 4.17Å; Y96-K120 VanDerWaalsContact CD1-CE 3.43Å; Y96-K120 HydrophobicContact CG-CD 4.48Å
97	I	98.3	Very high	97.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.165	C	C	.	.			trans	-59.7	119.9	-174.5	-57.5	169.4	0	0	0	108.9	I73 Q74 L76 L92 N95 V100 L116 N119 K120 I121	I73-I97 HydrophobicContact CB-CG1 4.35Å; I73-I97 HydrophobicContact CG2-CD1 4.5Å; I73-I97 HydrophobicContact CG2-CG1 4.13Å; I73-I97 WeakPolarHBondContact O-CG1 3.21Å; I73-I97 PolarHBondContact O-N 2.68Å; Q74-I97 WeakPolarHBondContact O-CA 3.27Å; L76-I97 HydrophobicContact CD1-CD1 4.3Å; L76-I97 HydrophobicContact CD2-CD1 4.02Å; L76-I97 HydrophobicContact CG-CD1 4.15Å; L76-I97 HydrophobicContact CG-CG2 4.08Å; L92-I97 HydrophobicContact CB-CD1 3.98Å; L92-I97 HydrophobicContact CD2-CD1 4.35Å; N95-I97 HydrophobicContact CB-CD1 4.28Å; N95-I97 HydrophobicContact CB-CG1 4.05Å; I97-V100 HydrophobicContact CG2-CG2 3.78Å; I97-L116 HydrophobicContact CD1-CD2 4.23Å; I97-N119 HydrophobicContact CB-CB 4.41Å; I97-N119 VanDerWaalsContact CB-OD1 3.24Å; I97-N119 WeakPolarHBondContact CB-OD1 3.19Å; I97-N119 WeakPolarHBondContact CG1-OD1 3.3Å; I97-N119 PolarHBondContact N-OD1 2.96Å; I97-K120 CarbonylContact O-C 3.52Å; I97-K120 VanDerWaalsContact O-CA 3.24Å; I97-K120 WeakPolarHBondContact O-CA 3.34Å; I97-K120 PolarHBondContact O-N 3.22Å; I97-I121 HydrophobicContact CB-CG1 4.37Å; I97-I121 HydrophobicContact CG2-CD1 4.32Å; I97-I121 HydrophobicContact CG2-CG1 4.07Å; I97-I121 WeakPolarHBondContact O-CG1 3.39Å; I97-I121 PolarHBondContact O-N 3.24Å
98	S	97.3	Very high	97.5	Very high	45 Å²	45	32.1 Å²	32.1	32%	0.315	17%	0.165	S	C	.	.			trans	-115.7	-36.8	-173.2	57.9	0	0	0	0	112.3	Q74 Y96	Q74-S98 PolarHBondContact O-N 2.03Å; Q74-S98 PolarHBondContact O-OG 3.43Å; Y96-S98 PolarHBondContact O-N 2.98Å; Y96-S98 VanDerWaalsContact O-N 3.17Å
99	S	96.4	Very high	97.4	Very high	52 Å²	52	38.1 Å²	38.1	36%	0.364	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	141	170.4	65.3	0	0	0	0	111.3	K75 L76	K75-S99 WeakPolarHBondContact CA-O 3.23Å; K75-S99 WeakPolarHBondContact CG-OG 3.45Å; L76-S99 PolarHBondContact N-O 3.33Å
100	V	97.8	Very high	97.4	Very high	4 Å²	4	42.4 Å²	42.4	2%	0.024	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	120.6	171.1	178.8	0	0	0	0	107.4	L76 I97 A104 F105 I121 L124 T128	L76-V100 HydrophobicContact CB-CG1 4.32Å; L76-V100 HydrophobicContact CD1-CG1 4.2Å; L76-V100 HydrophobicContact CD1-CG2 4.06Å; L76-V100 HydrophobicContact CG-CG2 4.38Å; I97-V100 HydrophobicContact CG2-CG2 3.78Å; V100-A104 HydrophobicContact CG1-CB 3.81Å; V100-F105 HydrophobicContact CG1-CE2 3.81Å; V100-F105 HydrophobicContact CG1-CZ 4.17Å; V100-I121 HydrophobicContact CG2-CD1 4.02Å; V100-I121 HydrophobicContact CG2-CG1 4.39Å; V100-L124 HydrophobicContact CB-CD2 4.04Å; V100-L124 HydrophobicContact CG2-CD2 4.23Å; V100-T128 HydrophobicContact CG1-CG2 3.72Å
101	D	97	Very high	97.4	Very high	60 Å²	60	42.4 Å²	42.4	32%	0.321	20%	0.202	S	C	.	.			trans	-60.1	153.3	176.4	-169.9	-82.3	0	0	0	112.2	L76 S78 D103 A104	L76-D101 WeakPolarHBondContact O-CB 3.49Å; L76-D101 PolarHBondContact O-N 3.1Å; L76-D101 VanDerWaalsContact O-N 3.07Å; S78-D101 VanDerWaalsContact CA-CG 3.48Å; S78-D101 VanDerWaalsContact CA-OD1 3.27Å; S78-D101 WeakPolarHBondContact CA-OD1 3.49Å; S78-D101 VanDerWaalsContact CB-OD1 3.24Å; S78-D101 WeakPolarHBondContact CB-OD1 3.48Å; S78-D101 VanDerWaalsContact N-CG 3.32Å; D101-D103 VanDerWaalsContact C-N 3.31Å; D101-D103 PolarHBondContact O-N 3.48Å; D101-D103 PolarHBondContact OD1-N 3.38Å; D101-A104 HydrophobicContact CB-CB 4.1Å; D101-A104 WeakPolarHBondContact O-CB 3.2Å; D101-A104 PolarHBondContact O-N 2.93Å
102	E	96.1	Very high	97.4	Very high	50 Å²	50	44.3 Å²	44.3	23%	0.234	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-36.6	-180	-169.5	165.4	148.2	0	0	112.5	H125 K127	E102-H125 HydrophobicContact CB-CB 3.83Å; E102-H125 HydrophobicContact CG-CB 3.76Å; E102-H125 IonicContact OE2-CG 3.14Å; E102-H125 IonicContact OE2-ND1 2.61Å; E102-H125 PolarHBondContact OE2-ND1 2.89Å; E102-H125 VanDerWaalsContact OE2-ND1 3.14Å; E102-K127 HydrophobicContact CG-CB 3.91Å; E102-K127 WeakPolarHBondContact OE1-CB 3.5Å; E102-K127 WeakPolarHBondContact OE1-CD 3.32Å; E102-K127 WeakPolarHBondContact OE1-CE 3.35Å; E102-K127 WeakPolarHBondContact OE1-CG 3.39Å; E102-K127 IonicContact OE1-NZ 2.8Å; E102-K127 PolarHBondContact OE1-NZ 2.79Å
103	D	96.8	Very high	97.4	Very high	66 Å²	66	47.1 Å²	47.1	35%	0.353	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	16.4	178.5	-80.9	-54.3	0	0	0	112.6	S78 N79 D101 F105 Q106	S78-D103 WeakPolarHBondContact OG-CB 3.4Å; N79-D103 PolarHBondContact N-O 3.28Å; D101-D103 VanDerWaalsContact C-N 3.31Å; D101-D103 PolarHBondContact O-N 3.48Å; D101-D103 PolarHBondContact OD1-N 3.38Å; D103-F105 VanDerWaalsContact C-N 3.31Å; D103-F105 PolarHBondContact O-N 2.79Å; D103-Q106 HydrophobicContact CB-CB 4.32Å; D103-Q106 WeakPolarHBondContact O-CB 3.42Å; D103-Q106 PolarHBondContact O-N 3.26Å; D103-Q106 VanDerWaalsContact O-N 3.07Å
104	A	97.3	Very high	97.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-46.5	-177.5	0	0	0	0	0	112.8	L76 K77 F81 V100 D101 Q106	L76-A104 HydrophobicContact CB-CB 4.08Å; K77-A104 WeakPolarHBondContact O-CA 3.04Å; F81-A104 WeakPolarHBondContact CD2-O 3.4Å; V100-A104 HydrophobicContact CG1-CB 3.81Å; D101-A104 HydrophobicContact CB-CB 4.1Å; D101-A104 WeakPolarHBondContact O-CB 3.2Å; D101-A104 PolarHBondContact O-N 2.93Å; A104-Q106 VanDerWaalsContact C-N 3.32Å; A104-Q106 PolarHBondContact O-N 2.82Å
105	F	97.5	Very high	97.5	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	19.8	-178.1	-53.2	-63.7	0	0	0	113.7	L76 F81 L90 L92 V100 D103 I108 L114 L116 T128 F129 P131 V132	L76-F105 HydrophobicContact CD1-CE1 3.89Å; L76-F105 HydrophobicContact CD1-CZ 3.61Å; F81-F105 HydrophobicContact CD2-CD1 4.01Å; F81-F105 HydrophobicContact CD2-CE1 4.38Å; F81-F105 AromaticContact CE2-CD1 4Å; F81-F105 HydrophobicContact CE2-CD1 4Å; F81-F105 AromaticContact CE2-CE1 3.88Å; F81-F105 HydrophobicContact CE2-CE1 3.88Å; L90-F105 HydrophobicContact CD2-CD1 4.32Å; L90-F105 HydrophobicContact CD2-CE1 4.15Å; L92-F105 HydrophobicContact CD1-CE1 4.49Å; V100-F105 HydrophobicContact CG1-CE2 3.81Å; V100-F105 HydrophobicContact CG1-CZ 4.17Å; D103-F105 VanDerWaalsContact C-N 3.31Å; D103-F105 PolarHBondContact O-N 2.79Å; F105-I108 HydrophobicContact CB-CD1 4.23Å; F105-I108 HydrophobicContact CB-CG1 4.31Å; F105-I108 HydrophobicContact CD1-CD1 4.09Å; F105-I108 VanDerWaalsContact O-CG1 3.3Å; F105-I108 WeakPolarHBondContact O-CG1 3.3Å; F105-L114 HydrophobicContact CD1-CD2 4.37Å; F105-L114 HydrophobicContact CD2-CD2 4.28Å; F105-L114 HydrophobicContact CE1-CD1 3.97Å; F105-L114 HydrophobicContact CE1-CD2 4.08Å; F105-L114 HydrophobicContact CE2-CD2 3.98Å; F105-L114 HydrophobicContact CG-CD2 4.47Å; F105-L114 HydrophobicContact CZ-CD1 4.24Å; F105-L114 HydrophobicContact CZ-CD2 3.89Å; F105-L116 HydrophobicContact CE2-CD1 4.38Å; F105-L116 HydrophobicContact CZ-CD1 3.94Å; F105-L116 HydrophobicContact CZ-CD2 4.42Å; F105-T128 HydrophobicContact CD2-CG2 3.79Å; F105-T128 WeakPolarHBondContact CD2-O 3.45Å; F105-T128 HydrophobicContact CE2-CG2 3.7Å; F105-F129 HydrophobicContact CD2-CD1 4.41Å; F105-F129 HydrophobicContact CD2-CE1 4.48Å; F105-F129 HydrophobicContact CE2-CD1 4.49Å; F105-F129 HydrophobicContact CE2-CE1 4.11Å; F105-P131 WeakPolarHBondContact O-CB 3.36Å; F105-V132 HydrophobicContact CB-CG1 4.03Å
106	Q	96.9	Very high	97.5	Very high	55 Å²	55	44.1 Å²	44.1	26%	0.257	21%	0.21	S	C	.	.			trans	-62.3	147.6	175.1	-173.7	63.1	-75.1	0	0	111.4	N79 D103 A104 I108	N79-Q106 WeakPolarHBondContact OD1-CB 3.28Å; N79-Q106 VanDerWaalsContact OD1-CG 3.22Å; N79-Q106 WeakPolarHBondContact OD1-CG 3.49Å; D103-Q106 HydrophobicContact CB-CB 4.32Å; D103-Q106 WeakPolarHBondContact O-CB 3.42Å; D103-Q106 PolarHBondContact O-N 3.26Å; D103-Q106 VanDerWaalsContact O-N 3.07Å; A104-Q106 VanDerWaalsContact C-N 3.32Å; A104-Q106 PolarHBondContact O-N 2.82Å; Q106-I108 VanDerWaalsContact C-N 3.28Å; Q106-I108 PolarHBondContact O-N 2.87Å; Q106-I108 VanDerWaalsContact O-N 3.14Å
107	G	94.9	Very high	97.6	Very high	25 Å²	25	39.2 Å²	39.2	26%	0.258	19%	0.192	S	C	.	.	S	Bend	trans	82.1	-35	179.3	0	0	0	0	0	116	R109	G107-R109 PolarHBondContact O-N 2.79Å
108	I	97.1	Very high	97.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.204	C	C	.	.			trans	-79.7	44	-176.6	60	173	0	0	0	114.6	F81 L84 L87 L90 F105 Q106 R110 L111 V132	F81-I108 HydrophobicContact CB-CD1 3.95Å; F81-I108 HydrophobicContact CB-CG1 4.38Å; F81-I108 HydrophobicContact CB-CG2 3.6Å; F81-I108 HydrophobicContact CD2-CD1 4.46Å; F81-I108 HydrophobicContact CG-CD1 4.2Å; F81-I108 WeakPolarHBondContact O-CG2 3.01Å; L84-I108 HydrophobicContact CB-CG2 4.19Å; L84-I108 WeakPolarHBondContact O-CG2 3.19Å; L87-I108 HydrophobicContact CB-CG2 4.35Å; L87-I108 HydrophobicContact CD2-CD1 4.31Å; L87-I108 HydrophobicContact CD2-CG2 4.38Å; L90-I108 HydrophobicContact CD2-CD1 4.1Å; F105-I108 HydrophobicContact CB-CD1 4.23Å; F105-I108 HydrophobicContact CB-CG1 4.31Å; F105-I108 HydrophobicContact CD1-CD1 4.09Å; F105-I108 VanDerWaalsContact O-CG1 3.3Å; F105-I108 WeakPolarHBondContact O-CG1 3.3Å; Q106-I108 VanDerWaalsContact C-N 3.28Å; Q106-I108 PolarHBondContact O-N 2.87Å; Q106-I108 VanDerWaalsContact O-N 3.14Å; I108-R110 PolarHBondContact O-N 3.26Å; I108-L111 HydrophobicContact CD1-CD1 4.48Å; I108-L111 HydrophobicContact CD1-CD2 3.89Å; I108-L111 VanDerWaalsContact O-CB 3.29Å; I108-L111 WeakPolarHBondContact O-CB 3.25Å; I108-L111 PolarHBondContact O-N 3.49Å; I108-V132 HydrophobicContact CD1-CG1 4.5Å; I108-V132 HydrophobicContact CG1-CG1 3.92Å
109	R	96.6	Very high	97.6	Very high	164 Å²	164	39.1 Å²	39.1	62%	0.619	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-17.1	-175.3	-66	-177.9	176.9	-179.5	1.1	115.3	G107 P131 N134	G107-R109 PolarHBondContact O-N 2.79Å; R109-P131 WeakPolarHBondContact CG-O 3.2Å; R109-N134 PolarHBondContact O-ND2 3.41Å
110	R	97.8	Very high	97.7	Very high	129 Å²	129	40.9 Å²	40.9	49%	0.487	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-10.3	177.9	-66.8	-167	70.9	153.4	10.5	114.2	N85 L87 I108 K112	N85-R110 WeakPolarHBondContact O-CD 3.19Å; N85-R110 WeakPolarHBondContact O-CG 3.1Å; L87-R110 CarbonylContact O-C 3.3Å; L87-R110 WeakPolarHBondContact O-CB 3.47Å; I108-R110 PolarHBondContact O-N 3.26Å; R110-K112 PolarHBondContact O-N 3.43Å
111	L	98.5	Very high	97.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.191	C	C	.	.			trans	-58.3	132.2	-175.4	-162.3	73.9	0	0	0	111.6	L87 L90 I108 L114 V132 N134 L135	L87-L111 HydrophobicContact CD2-CD1 4.15Å; L87-L111 HydrophobicContact CG-CD1 4.03Å; L87-L111 WeakPolarHBondContact O-CA 3.47Å; L87-L111 PolarHBondContact O-N 3.46Å; L87-L111 VanDerWaalsContact O-N 3.16Å; L90-L111 HydrophobicContact CB-CD1 3.82Å; I108-L111 HydrophobicContact CD1-CD1 4.48Å; I108-L111 HydrophobicContact CD1-CD2 3.89Å; I108-L111 VanDerWaalsContact O-CB 3.29Å; I108-L111 WeakPolarHBondContact O-CB 3.25Å; I108-L111 PolarHBondContact O-N 3.49Å; L111-L114 HydrophobicContact CD2-CB 3.97Å; L111-L114 HydrophobicContact CD2-CD1 4.42Å; L111-L114 HydrophobicContact CD2-CD2 4.36Å; L111-L114 HydrophobicContact CD2-CG 4.49Å; L111-V132 HydrophobicContact CB-CB 4.49Å; L111-V132 HydrophobicContact CB-CG1 4.1Å; L111-V132 HydrophobicContact CD2-CG1 4.11Å; L111-N134 CarbonylContact O-C 3.15Å; L111-N134 WeakPolarHBondContact O-CB 3.11Å; L111-L135 HydrophobicContact CD2-CD2 3.94Å; L111-L135 HydrophobicContact CG-CD2 4.02Å; L111-L135 PolarHBondContact O-N 3.31Å; L111-L135 VanDerWaalsContact O-N 3.17Å
112	K	98.7	Very high	97.7	Very high	87 Å²	87	41.2 Å²	41.2	38%	0.378	20%	0.197	S	C	.	.			trans	-114	-21.3	176.4	-60.6	179.9	-166.7	164.7	0	112.3	I88 R110 R136 N137	I88-K112 HydrophobicContact CG2-CB 4.24Å; I88-K112 HydrophobicContact CG2-CD 3.71Å; I88-K112 HydrophobicContact CG2-CG 4Å; I88-K112 PolarHBondContact O-N 2.8Å; R110-K112 PolarHBondContact O-N 3.43Å; K112-R136 HydrophobicContact CB-CG 4.4Å; K112-R136 WeakPolarHBondContact O-CA 2.99Å; K112-R136 WeakPolarHBondContact O-CB 3.25Å; K112-R136 PolarHBondContact O-N 3.24Å; K112-N137 PolarHBondContact O-N 2.95Å
113	E	98.8	Very high	97.7	Very high	60 Å²	60	43.6 Å²	43.6	28%	0.28	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	126.3	-172.8	-179	153.2	-140.5	0	0	110.7	I88 W89 L90 Y91 I115 N137	I88-E113 PolarHBondContact O-N 3.24Å; W89-E113 WeakPolarHBondContact CA-O 3.26Å; W89-E113 HydrophobicContact CB-CB 3.94Å; W89-E113 HydrophobicContact CB-CG 4.42Å; L90-E113 PolarHBondContact N-O 2.73Å; Y91-E113 HydrophobicContact CE1-CG 4.15Å; E113-I115 HydrophobicContact CG-CD1 4.05Å; E113-I115 HydrophobicContact CG-CG1 4.19Å; E113-N137 WeakPolarHBondContact CA-O 3.45Å; E113-N137 HydrophobicContact CB-CB 4.43Å; E113-N137 HydrophobicContact CG-CB 4.03Å; E113-N137 PolarHBondContact OE1-ND2 2.6Å
114	L	98.8	Very high	97.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	113.3	-178.3	177.5	55.4	0	0	0	108.9	L90 F105 L111 L116 F129 L135 N137 L138 D139	L90-L114 HydrophobicContact CB-CD1 4.14Å; L90-L114 HydrophobicContact CD2-CD1 3.93Å; L90-L114 HydrophobicContact CG-CD1 4.01Å; F105-L114 HydrophobicContact CD1-CD2 4.37Å; F105-L114 HydrophobicContact CD2-CD2 4.28Å; F105-L114 HydrophobicContact CE1-CD1 3.97Å; F105-L114 HydrophobicContact CE1-CD2 4.08Å; F105-L114 HydrophobicContact CE2-CD2 3.98Å; F105-L114 HydrophobicContact CG-CD2 4.47Å; F105-L114 HydrophobicContact CZ-CD1 4.24Å; F105-L114 HydrophobicContact CZ-CD2 3.89Å; L111-L114 HydrophobicContact CD2-CB 3.97Å; L111-L114 HydrophobicContact CD2-CD1 4.42Å; L111-L114 HydrophobicContact CD2-CD2 4.36Å; L111-L114 HydrophobicContact CD2-CG 4.49Å; L114-L116 HydrophobicContact CD1-CD1 4.08Å; L114-L116 HydrophobicContact CD1-CG 3.99Å; L114-L116 HydrophobicContact CD2-CD1 3.89Å; L114-L116 HydrophobicContact CG-CD1 3.82Å; L114-L116 HydrophobicContact CG-CG 4.09Å; L114-F129 HydrophobicContact CD2-CD1 4.22Å; L114-F129 HydrophobicContact CD2-CE1 3.97Å; L114-L135 HydrophobicContact CB-CD2 3.85Å; L114-N137 PolarHBondContact N-O 2.88Å; L114-N137 VanDerWaalsContact N-O 3.15Å; L114-L138 HydrophobicContact CB-CD1 4.02Å; L114-L138 HydrophobicContact CD2-CD1 4Å; L114-L138 HydrophobicContact CG-CD1 4Å; L114-L138 WeakPolarHBondContact O-CA 3.32Å; L114-D139 PolarHBondContact O-N 3.42Å
115	I	98.8	Very high	97.7	Very high	16 Å²	16	43.9 Å²	43.9	8%	0.082	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	111.1	-178.1	-49.9	-60.5	0	0	0	108.1	L90 Y91 L92 D93 E113 S117 D139	L90-I115 PolarHBondContact O-N 3.41Å; Y91-I115 HydrophobicContact CD1-CB 3.84Å; Y91-I115 HydrophobicContact CD1-CG1 3.45Å; Y91-I115 VanDerWaalsContact CD1-CG1 3.45Å; Y91-I115 HydrophobicContact CE1-CG1 3.69Å; L92-I115 PolarHBondContact N-O 2.9Å; D93-I115 HydrophobicContact CB-CG2 4.01Å; D93-I115 PolarHBondContact N-O 3.43Å; E113-I115 HydrophobicContact CG-CD1 4.05Å; E113-I115 HydrophobicContact CG-CG1 4.19Å; I115-S117 WeakPolarHBondContact CG2-OG 3.43Å; I115-D139 HydrophobicContact CD1-CB 3.69Å; I115-D139 HydrophobicContact CG2-CB 4.18Å
116	L	98.6	Very high	97.5	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.217	C	C	.	.			trans	-121.5	15.3	-176.8	-75.6	163.6	0	0	0	111.5	L76 L92 I97 F105 L114 N119 I121 F129 D139 L140 N143	L76-L116 HydrophobicContact CD1-CD2 4.11Å; L92-L116 HydrophobicContact CB-CD2 3.86Å; L92-L116 HydrophobicContact CD1-CD2 3.8Å; I97-L116 HydrophobicContact CD1-CD2 4.23Å; F105-L116 HydrophobicContact CE2-CD1 4.38Å; F105-L116 HydrophobicContact CZ-CD1 3.94Å; F105-L116 HydrophobicContact CZ-CD2 4.42Å; L114-L116 HydrophobicContact CD1-CD1 4.08Å; L114-L116 HydrophobicContact CD1-CG 3.99Å; L114-L116 HydrophobicContact CD2-CD1 3.89Å; L114-L116 HydrophobicContact CG-CD1 3.82Å; L114-L116 HydrophobicContact CG-CG 4.09Å; L116-N119 WeakPolarHBondContact O-CB 3.37Å; L116-N119 PolarHBondContact O-ND2 3Å; L116-N119 VanDerWaalsContact O-ND2 3.12Å; L116-I121 HydrophobicContact CB-CD1 4.37Å; L116-F129 HydrophobicContact CD1-CE1 4.47Å; L116-D139 CarbonylContact C-O 3.44Å; L116-D139 WeakPolarHBondContact CA-O 3.24Å; L116-D139 PolarHBondContact N-O 3.47Å; L116-L140 HydrophobicContact CB-CD2 3.93Å; L116-L140 HydrophobicContact CD1-CD2 3.88Å; L116-N143 PolarHBondContact O-ND2 3.33Å
117	S	98.8	Very high	97.3	Very high	10 Å²	10	49.2 Å²	49.2	7%	0.07	23%	0.228	C	C	.	.			trans	-70.1	166.8	-176	43.5	0	0	0	0	113.8	D93 H94 I115 N119 D139 S141	D93-S117 WeakPolarHBondContact CA-O 3.18Å; D93-S117 WeakPolarHBondContact CB-O 3.34Å; H94-S117 PolarHBondContact N-O 3.17Å; I115-S117 WeakPolarHBondContact CG2-OG 3.43Å; S117-N119 PolarHBondContact O-N 3.07Å; S117-N119 PolarHBondContact O-ND2 2.91Å; S117-D139 VanDerWaalsContact CB-CG 3.5Å; S117-D139 WeakPolarHBondContact CB-OD2 3.48Å; S117-D139 PolarHBondContact N-O 3.3Å; S117-D139 PolarHBondContact OG-OD2 3.39Å; S117-S141 CarbonylContact C-O 3.12Å; S117-S141 WeakPolarHBondContact CA-O 3.45Å; S117-S141 WeakPolarHBondContact CB-O 3.24Å
118	S	98.6	Very high	97.4	Very high	34 Å²	34	48 Å²	48	24%	0.238	22%	0.216	C	C	.	.	S	Bend	trans	51.6	54	-178.4	-62.9	0	0	0	0	112.2	H94 N95 S141 Y142	H94-S118 VanDerWaalsContact CA-O 3.27Å; H94-S118 WeakPolarHBondContact CA-O 3.38Å; H94-S118 WeakPolarHBondContact CD2-CB 3.21Å; H94-S118 PolarHBondContact CD2-OG 3.25Å; H94-S118 PolarHBondContact CE1-OG 3.15Å; H94-S118 PolarHBondContact N-O 2.94Å; H94-S118 WeakPolarHBondContact NE2-CB 3.43Å; H94-S118 PolarHBondContact NE2-OG 3.13Å; N95-S118 PolarHBondContact N-O 2.94Å; S118-S141 PolarHBondContact N-O 2.98Å; S118-Y142 WeakPolarHBondContact CA-O 3.49Å; S118-Y142 PolarHBondContact N-O 2.93Å
119	N	98.7	Very high	97.5	Very high	10 Å²	10	48 Å²	48	5%	0.053	22%	0.216	C	C	.	.	S	Bend	trans	-131.2	-170.5	-178.2	-92.9	-74.8	0	0	0	110.3	L92 N95 Y96 I97 L116 S117 I121 Y142 N143	L92-N119 PolarHBondContact O-ND2 2.86Å; N95-N119 WeakPolarHBondContact CA-OD1 3.5Å; N95-N119 WeakPolarHBondContact CB-OD1 3.28Å; N95-N119 PolarHBondContact O-OD1 2.74Å; Y96-N119 PolarHBondContact N-OD1 3.22Å; I97-N119 HydrophobicContact CB-CB 4.41Å; I97-N119 VanDerWaalsContact CB-OD1 3.24Å; I97-N119 WeakPolarHBondContact CB-OD1 3.19Å; I97-N119 WeakPolarHBondContact CG1-OD1 3.3Å; I97-N119 PolarHBondContact N-OD1 2.96Å; L116-N119 WeakPolarHBondContact O-CB 3.37Å; L116-N119 PolarHBondContact O-ND2 3Å; L116-N119 VanDerWaalsContact O-ND2 3.12Å; S117-N119 PolarHBondContact O-N 3.07Å; S117-N119 PolarHBondContact O-ND2 2.91Å; N119-I121 HydrophobicContact CB-CG1 4.28Å; N119-Y142 PolarHBondContact N-O 3.17Å; N119-N143 WeakPolarHBondContact CA-OD1 3.41Å; N119-N143 WeakPolarHBondContact CB-OD1 3.18Å; N119-N143 PolarHBondContact O-OD1 3.24Å
120	K	98.3	Very high	97.4	Very high	89 Å²	89	42.9 Å²	42.9	39%	0.387	20%	0.199	S	C	.	.			trans	-114.6	16.2	-175.7	-67.1	173.1	178.9	163.6	0	112.8	Y96 I97 T122 N143	Y96-K120 HydrophobicContact CD1-CD 4.17Å; Y96-K120 VanDerWaalsContact CD1-CE 3.43Å; Y96-K120 HydrophobicContact CG-CD 4.48Å; I97-K120 CarbonylContact O-C 3.52Å; I97-K120 VanDerWaalsContact O-CA 3.24Å; I97-K120 WeakPolarHBondContact O-CA 3.34Å; I97-K120 PolarHBondContact O-N 3.22Å; K120-T122 PolarHBondContact O-N 3.19Å; K120-N143 PolarHBondContact N-OD1 3.04Å
121	I	98.4	Very high	97.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.181	C	C	.	.			trans	-65.6	119.5	-171.2	-54.3	171.7	0	0	0	109.8	I97 V100 L116 N119 Y123 L124 N143 K144 L145	I97-I121 HydrophobicContact CB-CG1 4.37Å; I97-I121 HydrophobicContact CG2-CD1 4.32Å; I97-I121 HydrophobicContact CG2-CG1 4.07Å; I97-I121 WeakPolarHBondContact O-CG1 3.39Å; I97-I121 PolarHBondContact O-N 3.24Å; V100-I121 HydrophobicContact CG2-CD1 4.02Å; V100-I121 HydrophobicContact CG2-CG1 4.39Å; L116-I121 HydrophobicContact CB-CD1 4.37Å; N119-I121 HydrophobicContact CB-CG1 4.28Å; I121-Y123 VanDerWaalsContact CG2-O 3.27Å; I121-Y123 WeakPolarHBondContact CG2-O 3.16Å; I121-L124 HydrophobicContact CG2-CD2 3.9Å; I121-L124 HydrophobicContact CG2-CG 4.08Å; I121-N143 HydrophobicContact CB-CB 4.45Å; I121-N143 VanDerWaalsContact CB-OD1 3.31Å; I121-N143 WeakPolarHBondContact CB-OD1 3.42Å; I121-N143 WeakPolarHBondContact CG1-OD1 3.31Å; I121-N143 PolarHBondContact N-OD1 2.98Å; I121-K144 CarbonylContact O-C 3.13Å; I121-K144 VanDerWaalsContact O-CA 3.28Å; I121-K144 WeakPolarHBondContact O-CA 3.44Å; I121-K144 PolarHBondContact O-N 3.41Å; I121-L145 HydrophobicContact CB-CD2 4.49Å; I121-L145 HydrophobicContact CG2-CD2 3.82Å; I121-L145 PolarHBondContact O-N 3.49Å
122	T	96.8	Very high	97.3	Very high	71 Å²	71	37.5 Å²	37.5	44%	0.436	18%	0.181	S	C	.	.			trans	-97.9	-26.1	179	50.2	0	0	0	0	113.5	K120 K144	K120-T122 PolarHBondContact O-N 3.19Å; T122-K144 HydrophobicContact CG2-CB 3.82Å
123	Y	95.8	Very high	97.3	Very high	100 Å²	100	35.9 Å²	35.9	39%	0.392	18%	0.179	S	C	.	.			trans	-147.9	151.7	-172.9	177.8	-93.3	0	0	0	110.5	I121 H125 Q149	I121-Y123 VanDerWaalsContact CG2-O 3.27Å; I121-Y123 WeakPolarHBondContact CG2-O 3.16Å; Y123-H125 AromaticContact CE1-CD2 3.62Å; Y123-H125 AromaticContact CE1-CG 3.95Å; Y123-H125 AromaticContact CE1-NE2 3.82Å; Y123-Q149 VanDerWaalsContact CE2-NE2 3.26Å
124	L	96.9	Very high	97.3	Very high	6 Å²	6	35.3 Å²	35.3	3%	0.031	18%	0.178	C	C	.	.			trans	-134.6	143.3	171.2	-68.6	169.2	0	0	0	108.7	V100 I121 T128 F129 L140 L145	V100-L124 HydrophobicContact CB-CD2 4.04Å; V100-L124 HydrophobicContact CG2-CD2 4.23Å; I121-L124 HydrophobicContact CG2-CD2 3.9Å; I121-L124 HydrophobicContact CG2-CG 4.08Å; L124-T128 HydrophobicContact CD2-CG2 4.36Å; L124-F129 HydrophobicContact CD1-CE2 3.91Å; L124-F129 HydrophobicContact CD1-CZ 3.85Å; L124-L140 HydrophobicContact CD1-CD1 4.12Å; L124-L140 HydrophobicContact CD1-CD2 4.2Å; L124-L145 HydrophobicContact CD1-CD1 4.26Å; L124-L145 HydrophobicContact CD1-CD2 4.07Å; L124-L145 HydrophobicContact CG-CD2 4.02Å
125	H	95.6	Very high	97.2	Very high	65 Å²	65	35.3 Å²	35.3	30%	0.301	18%	0.178	S	C	.	.			trans	-75.5	150.9	176.3	-71.4	-113.8	0	0	0	110.4	E102 Y123 K127 T128 Q152	E102-H125 HydrophobicContact CB-CB 3.83Å; E102-H125 HydrophobicContact CG-CB 3.76Å; E102-H125 IonicContact OE2-CG 3.14Å; E102-H125 IonicContact OE2-ND1 2.61Å; E102-H125 PolarHBondContact OE2-ND1 2.89Å; E102-H125 VanDerWaalsContact OE2-ND1 3.14Å; Y123-H125 AromaticContact CE1-CD2 3.62Å; Y123-H125 AromaticContact CE1-CG 3.95Å; Y123-H125 AromaticContact CE1-NE2 3.82Å; H125-K127 PolarHBondContact O-N 2.73Å; H125-T128 PolarHBondContact N-OG1 2.86Å; H125-T128 PolarHBondContact O-N 3.19Å; H125-T128 PolarHBondContact O-OG1 2.8Å; H125-Q152 PolarHBondContact O-NE2 3.44Å
126	N	93.1	Very high	97.2	Very high	54 Å²	54	40.8 Å²	40.8	29%	0.289	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-35.6	-176.6	-67.2	28	0	0	0	113.2	H130 Q149	N126-H130 PolarHBondContact O-NE2 2.81Å; N126-Q149 HydrophobicContact CB-CB 4.48Å; N126-Q149 WeakPolarHBondContact OD1-CB 3.5Å; N126-Q149 WeakPolarHBondContact OD1-CG 3.36Å
127	K	94.4	Very high	97.3	Very high	114 Å²	114	41.9 Å²	41.9	50%	0.496	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-1.9	-174.5	-47.3	-162.8	-152.3	88.5	0	115.5	E102 H125 F129 H130 P131	E102-K127 HydrophobicContact CG-CB 3.91Å; E102-K127 WeakPolarHBondContact OE1-CB 3.5Å; E102-K127 WeakPolarHBondContact OE1-CD 3.32Å; E102-K127 WeakPolarHBondContact OE1-CE 3.35Å; E102-K127 WeakPolarHBondContact OE1-CG 3.39Å; E102-K127 IonicContact OE1-NZ 2.8Å; E102-K127 PolarHBondContact OE1-NZ 2.79Å; H125-K127 PolarHBondContact O-N 2.73Å; K127-F129 PolarHBondContact O-N 2.53Å; K127-H130 HydrophobicContact CB-CB 4.4Å; K127-H130 WeakPolarHBondContact O-CB 3.34Å; K127-H130 PolarHBondContact O-N 2.82Å; K127-P131 VanDerWaalsContact O-CD 3.31Å; K127-P131 WeakPolarHBondContact O-CD 3.19Å
128	T	96.8	Very high	97.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-34	-171.9	-61.3	0	0	0	0	114.3	V100 F105 L124 H125	V100-T128 HydrophobicContact CG1-CG2 3.72Å; F105-T128 HydrophobicContact CD2-CG2 3.79Å; F105-T128 WeakPolarHBondContact CD2-O 3.45Å; F105-T128 HydrophobicContact CE2-CG2 3.7Å; L124-T128 HydrophobicContact CD2-CG2 4.36Å; H125-T128 PolarHBondContact N-OG1 2.86Å; H125-T128 PolarHBondContact O-N 3.19Å; H125-T128 PolarHBondContact O-OG1 2.8Å
129	F	97.8	Very high	97.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-2.6	179	-52.7	-55.9	0	0	0	114.9	F105 L114 L116 L124 K127 V132 L138 L140 Q152 F153 L156	F105-F129 HydrophobicContact CD2-CD1 4.41Å; F105-F129 HydrophobicContact CD2-CE1 4.48Å; F105-F129 HydrophobicContact CE2-CD1 4.49Å; F105-F129 HydrophobicContact CE2-CE1 4.11Å; L114-F129 HydrophobicContact CD2-CD1 4.22Å; L114-F129 HydrophobicContact CD2-CE1 3.97Å; L116-F129 HydrophobicContact CD1-CE1 4.47Å; L124-F129 HydrophobicContact CD1-CE2 3.91Å; L124-F129 HydrophobicContact CD1-CZ 3.85Å; K127-F129 PolarHBondContact O-N 2.53Å; F129-V132 HydrophobicContact CB-CG2 4.28Å; F129-V132 VanDerWaalsContact O-CG2 3.24Å; F129-V132 WeakPolarHBondContact O-CG2 3.04Å; F129-V132 PolarHBondContact O-N 3.36Å; F129-V132 VanDerWaalsContact O-N 3.17Å; F129-L138 HydrophobicContact CD1-CD2 4.39Å; F129-L138 HydrophobicContact CD2-CD2 4.12Å; F129-L138 HydrophobicContact CE1-CD1 4.1Å; F129-L138 HydrophobicContact CE1-CD2 4.28Å; F129-L138 HydrophobicContact CE2-CD2 3.99Å; F129-L138 HydrophobicContact CG-CD2 4.33Å; F129-L138 HydrophobicContact CZ-CD1 4.3Å; F129-L138 HydrophobicContact CZ-CD2 4.08Å; F129-L140 HydrophobicContact CE2-CD1 4.12Å; F129-L140 HydrophobicContact CZ-CD1 3.97Å; F129-L140 HydrophobicContact CZ-CD2 4.24Å; F129-Q152 HydrophobicContact CD2-CG 4.43Å; F129-Q152 HydrophobicContact CE2-CG 4.36Å; F129-F153 HydrophobicContact CD2-CD1 4.04Å; F129-F153 HydrophobicContact CD2-CE1 4.04Å; F129-F153 HydrophobicContact CE2-CD1 4.44Å; F129-F153 AromaticContact CE2-CE1 3.97Å; F129-F153 HydrophobicContact CE2-CE1 3.97Å; F129-L156 HydrophobicContact CB-CD1 3.96Å; F129-L156 HydrophobicContact CB-CD2 4.27Å; F129-L156 HydrophobicContact CB-CG 4.49Å
130	H	96.2	Very high	97.3	Very high	56 Å²	56	40.4 Å²	40.4	26%	0.259	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-33.4	179.8	-61.5	-174.7	0	0	0	113	N126 K127 V132 E151	N126-H130 PolarHBondContact O-NE2 2.81Å; K127-H130 HydrophobicContact CB-CB 4.4Å; K127-H130 WeakPolarHBondContact O-CB 3.34Å; K127-H130 PolarHBondContact O-N 2.82Å; H130-V132 PolarHBondContact O-N 3.37Å; H130-E151 PolarHBondContact NE2-O 3.47Å
131	P	96.8	Very high	97.3	Very high	16 Å²	16	36.5 Å²	36.5	10%	0.104	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-15.3	172.9	-26.4	36.5	0	0	0	115.9	F105 R109 K127 P133	F105-P131 WeakPolarHBondContact O-CB 3.36Å; R109-P131 WeakPolarHBondContact CG-O 3.2Å; K127-P131 VanDerWaalsContact O-CD 3.31Å; K127-P131 WeakPolarHBondContact O-CD 3.19Å; P131-P133 WeakPolarHBondContact O-CD 3.19Å
132	V	97.7	Very high	97.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.199	C	C	.	.			trans	-118.4	56.1	-173.2	-69.2	0	0	0	0	113.4	F105 I108 L111 F129 H130 N134 L135	F105-V132 HydrophobicContact CB-CG1 4.03Å; I108-V132 HydrophobicContact CD1-CG1 4.5Å; I108-V132 HydrophobicContact CG1-CG1 3.92Å; L111-V132 HydrophobicContact CB-CB 4.49Å; L111-V132 HydrophobicContact CB-CG1 4.1Å; L111-V132 HydrophobicContact CD2-CG1 4.11Å; F129-V132 HydrophobicContact CB-CG2 4.28Å; F129-V132 VanDerWaalsContact O-CG2 3.24Å; F129-V132 WeakPolarHBondContact O-CG2 3.04Å; F129-V132 PolarHBondContact O-N 3.36Å; F129-V132 VanDerWaalsContact O-N 3.17Å; H130-V132 PolarHBondContact O-N 3.37Å; V132-N134 PolarHBondContact O-N 3.35Å; V132-L135 HydrophobicContact CB-CD1 4.32Å; V132-L135 HydrophobicContact CB-CG 4.1Å; V132-L135 HydrophobicContact CG2-CD1 3.58Å; V132-L135 HydrophobicContact CG2-CG 3.93Å; V132-L135 WeakPolarHBondContact O-CG 3.07Å; V132-L135 PolarHBondContact O-N 3.08Å; V132-L135 VanDerWaalsContact O-N 3.17Å
133	P	97.3	Very high	97.4	Very high	52 Å²	52	39.4 Å²	39.4	34%	0.338	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	0.2	-174.4	33	-39.1	0	0	0	114.7	P131	P131-P133 WeakPolarHBondContact O-CD 3.19Å
134	N	98.3	Very high	97.5	Very high	49 Å²	49	40.1 Å²	40.1	26%	0.262	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-0.2	176.3	-71.9	-61.7	0	0	0	114.2	R109 L111 V132 K158	R109-N134 PolarHBondContact O-ND2 3.41Å; L111-N134 CarbonylContact O-C 3.15Å; L111-N134 WeakPolarHBondContact O-CB 3.11Å; V132-N134 PolarHBondContact O-N 3.35Å; N134-K158 WeakPolarHBondContact OD1-CD 3.5Å; N134-K158 PolarHBondContact OD1-NZ 3.36Å
135	L	98.6	Very high	97.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	18%	0.184	C	C	.	.			trans	-52.5	142.1	174.7	-78.2	-179.2	0	0	0	112.3	L111 L114 V132 L156 K158 L159	L111-L135 HydrophobicContact CD2-CD2 3.94Å; L111-L135 HydrophobicContact CG-CD2 4.02Å; L111-L135 PolarHBondContact O-N 3.31Å; L111-L135 VanDerWaalsContact O-N 3.17Å; L114-L135 HydrophobicContact CB-CD2 3.85Å; V132-L135 HydrophobicContact CB-CD1 4.32Å; V132-L135 HydrophobicContact CB-CG 4.1Å; V132-L135 HydrophobicContact CG2-CD1 3.58Å; V132-L135 HydrophobicContact CG2-CG 3.93Å; V132-L135 WeakPolarHBondContact O-CG 3.07Å; V132-L135 PolarHBondContact O-N 3.08Å; V132-L135 VanDerWaalsContact O-N 3.17Å; L135-L156 HydrophobicContact CB-CD2 4.48Å; L135-L156 HydrophobicContact CD1-CD2 4.45Å; L135-K158 CarbonylContact O-C 3.1Å; L135-K158 WeakPolarHBondContact O-CB 3.1Å; L135-L159 HydrophobicContact CB-CD1 4.12Å; L135-L159 WeakPolarHBondContact O-CA 3.34Å; L135-L159 PolarHBondContact O-N 2.89Å
136	R	98.8	Very high	97.6	Very high	130 Å²	130	41.3 Å²	41.3	49%	0.491	19%	0.191	S	C	.	.	S	Bend	trans	-127.8	-39.2	179	-65	-173.7	173.7	-158.3	-5.9	111.2	K112 I160 I161	K112-R136 HydrophobicContact CB-CG 4.4Å; K112-R136 WeakPolarHBondContact O-CA 2.99Å; K112-R136 WeakPolarHBondContact O-CB 3.25Å; K112-R136 PolarHBondContact O-N 3.24Å; R136-I160 HydrophobicContact CB-CD1 4.2Å; R136-I160 HydrophobicContact CB-CG1 4.26Å; R136-I160 HydrophobicContact CG-CD1 4.29Å; R136-I160 WeakPolarHBondContact O-CA 3.11Å; R136-I160 WeakPolarHBondContact O-CB 3.47Å; R136-I160 PolarHBondContact O-N 3.1Å; R136-I161 PolarHBondContact O-N 2.88Å
137	N	98.9	Very high	97.8	Very high	23 Å²	23	42 Å²	42	12%	0.123	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	133	170.4	-172.1	16.3	0	0	0	109.7	K112 E113 L114 I161	K112-N137 PolarHBondContact O-N 2.95Å; E113-N137 WeakPolarHBondContact CA-O 3.45Å; E113-N137 HydrophobicContact CB-CB 4.43Å; E113-N137 HydrophobicContact CG-CB 4.03Å; E113-N137 PolarHBondContact OE1-ND2 2.6Å; L114-N137 PolarHBondContact N-O 2.88Å; L114-N137 VanDerWaalsContact N-O 3.15Å; N137-I161 HydrophobicContact CB-CB 4.48Å; N137-I161 WeakPolarHBondContact OD1-CG2 3.45Å
138	L	98.9	Very high	97.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	117	172.6	176	58	0	0	0	108.6	L114 F129 L140 F153 L159 I161 L162 H163	L114-L138 HydrophobicContact CB-CD1 4.02Å; L114-L138 HydrophobicContact CD2-CD1 4Å; L114-L138 HydrophobicContact CG-CD1 4Å; L114-L138 WeakPolarHBondContact O-CA 3.32Å; F129-L138 HydrophobicContact CD1-CD2 4.39Å; F129-L138 HydrophobicContact CD2-CD2 4.12Å; F129-L138 HydrophobicContact CE1-CD1 4.1Å; F129-L138 HydrophobicContact CE1-CD2 4.28Å; F129-L138 HydrophobicContact CE2-CD2 3.99Å; F129-L138 HydrophobicContact CG-CD2 4.33Å; F129-L138 HydrophobicContact CZ-CD1 4.3Å; F129-L138 HydrophobicContact CZ-CD2 4.08Å; L138-L140 HydrophobicContact CD1-CD1 4.42Å; L138-L140 HydrophobicContact CD1-CG 4.2Å; L138-L140 HydrophobicContact CD2-CD1 4.14Å; L138-L140 HydrophobicContact CG-CD1 4.17Å; L138-L140 HydrophobicContact CG-CG 4.27Å; L138-F153 HydrophobicContact CD2-CD1 4.25Å; L138-F153 HydrophobicContact CD2-CE1 3.94Å; L138-L159 HydrophobicContact CB-CD1 3.9Å; L138-I161 PolarHBondContact N-O 3.01Å; L138-I161 VanDerWaalsContact N-O 3.14Å; L138-L162 HydrophobicContact CB-CD1 3.99Å; L138-L162 HydrophobicContact CD2-CD1 3.91Å; L138-L162 HydrophobicContact CG-CD1 3.91Å; L138-L162 WeakPolarHBondContact O-CA 3.29Å; L138-H163 PolarHBondContact O-N 3.22Å
139	D	98.9	Very high	97.7	Very high	24 Å²	24	39.2 Å²	39.2	13%	0.128	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	115.7	177.6	-179.4	16.4	0	0	0	110.8	L114 I115 L116 S117 S141 H163	L114-D139 PolarHBondContact O-N 3.42Å; I115-D139 HydrophobicContact CD1-CB 3.69Å; I115-D139 HydrophobicContact CG2-CB 4.18Å; L116-D139 CarbonylContact C-O 3.44Å; L116-D139 WeakPolarHBondContact CA-O 3.24Å; L116-D139 PolarHBondContact N-O 3.47Å; S117-D139 VanDerWaalsContact CB-CG 3.5Å; S117-D139 WeakPolarHBondContact CB-OD2 3.48Å; S117-D139 PolarHBondContact N-O 3.3Å; S117-D139 PolarHBondContact OG-OD2 3.39Å; D139-S141 WeakPolarHBondContact OD1-CB 3.4Å; D139-S141 PolarHBondContact OD1-N 2.85Å; D139-S141 PolarHBondContact OD1-OG 2.87Å; D139-H163 HydrophobicContact CB-CB 4.38Å; D139-H163 WeakPolarHBondContact OD1-CB 3.44Å
140	L	98.8	Very high	97.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.209	C	C	.	.			trans	-117.6	17.8	176.9	-69.5	164.8	0	0	0	111.2	L116 L124 F129 L138 N143 L145 F153 H163 L164 N167	L116-L140 HydrophobicContact CB-CD2 3.93Å; L116-L140 HydrophobicContact CD1-CD2 3.88Å; L124-L140 HydrophobicContact CD1-CD1 4.12Å; L124-L140 HydrophobicContact CD1-CD2 4.2Å; F129-L140 HydrophobicContact CE2-CD1 4.12Å; F129-L140 HydrophobicContact CZ-CD1 3.97Å; F129-L140 HydrophobicContact CZ-CD2 4.24Å; L138-L140 HydrophobicContact CD1-CD1 4.42Å; L138-L140 HydrophobicContact CD1-CG 4.2Å; L138-L140 HydrophobicContact CD2-CD1 4.14Å; L138-L140 HydrophobicContact CG-CD1 4.17Å; L138-L140 HydrophobicContact CG-CG 4.27Å; L140-N143 PolarHBondContact O-ND2 2.72Å; L140-N143 VanDerWaalsContact O-ND2 3.13Å; L140-L145 HydrophobicContact CB-CD1 4.35Å; L140-F153 HydrophobicContact CD1-CE1 4.48Å; L140-H163 PolarHBondContact N-O 3.47Å; L140-L164 HydrophobicContact CB-CD2 3.94Å; L140-L164 HydrophobicContact CD1-CD2 3.88Å; L140-N167 PolarHBondContact O-ND2 3.46Å
141	S	98.8	Very high	97.4	Very high	6 Å²	6	43.6 Å²	43.6	4%	0.042	21%	0.214	C	C	.	.			trans	-63.4	156	-175.9	-54.8	0	0	0	0	113.4	S117 S118 D139 N143 H163 R165	S117-S141 CarbonylContact C-O 3.12Å; S117-S141 WeakPolarHBondContact CA-O 3.45Å; S117-S141 WeakPolarHBondContact CB-O 3.24Å; S118-S141 PolarHBondContact N-O 2.98Å; D139-S141 WeakPolarHBondContact OD1-CB 3.4Å; D139-S141 PolarHBondContact OD1-N 2.85Å; D139-S141 PolarHBondContact OD1-OG 2.87Å; S141-N143 VanDerWaalsContact C-N 3.3Å; S141-N143 PolarHBondContact O-N 2.85Å; S141-N143 PolarHBondContact O-ND2 3.4Å; S141-H163 VanDerWaalsContact OG-CB 3.23Å; S141-H163 WeakPolarHBondContact OG-CB 3.3Å; S141-R165 CarbonylContact C-O 3.2Å; S141-R165 WeakPolarHBondContact CA-O 3.3Å
142	Y	98.8	Very high	97.3	Very high	124 Å²	124	43 Å²	43	49%	0.486	21%	0.21	S	C	.	.	S	Bend	trans	53.8	48.4	175.8	-52.8	-84.7	0	0	0	112.1	S118 N119 R165 S166	S118-Y142 WeakPolarHBondContact CA-O 3.49Å; S118-Y142 PolarHBondContact N-O 2.93Å; N119-Y142 PolarHBondContact N-O 3.17Å; Y142-R165 PolarHBondContact N-O 3.34Å; Y142-S166 WeakPolarHBondContact CA-O 3.43Å; Y142-S166 WeakPolarHBondContact CD1-OG 3.16Å; Y142-S166 WeakPolarHBondContact CE1-OG 3.37Å
143	N	98.8	Very high	97.3	Very high	9 Å²	9	43 Å²	43	5%	0.048	21%	0.21	C	C	.	.	S	Bend	trans	-119.4	-167.6	174	-88.6	-76.3	0	0	0	109.6	L116 N119 K120 I121 L140 S141 L145 S166 N167	L116-N143 PolarHBondContact O-ND2 3.33Å; N119-N143 WeakPolarHBondContact CA-OD1 3.41Å; N119-N143 WeakPolarHBondContact CB-OD1 3.18Å; N119-N143 PolarHBondContact O-OD1 3.24Å; K120-N143 PolarHBondContact N-OD1 3.04Å; I121-N143 HydrophobicContact CB-CB 4.45Å; I121-N143 VanDerWaalsContact CB-OD1 3.31Å; I121-N143 WeakPolarHBondContact CB-OD1 3.42Å; I121-N143 WeakPolarHBondContact CG1-OD1 3.31Å; I121-N143 PolarHBondContact N-OD1 2.98Å; L140-N143 PolarHBondContact O-ND2 2.72Å; L140-N143 VanDerWaalsContact O-ND2 3.13Å; S141-N143 VanDerWaalsContact C-N 3.3Å; S141-N143 PolarHBondContact O-N 2.85Å; S141-N143 PolarHBondContact O-ND2 3.4Å; N143-L145 HydrophobicContact CB-CG 4.47Å; N143-S166 PolarHBondContact N-O 2.83Å; N143-N167 WeakPolarHBondContact CA-OD1 3.27Å; N143-N167 WeakPolarHBondContact CB-OD1 3.27Å; N143-N167 PolarHBondContact O-OD1 2.89Å
144	K	98.3	Very high	97.3	Very high	115 Å²	115	45.2 Å²	45.2	50%	0.5	22%	0.215	S	C	.	.			trans	-120.1	22.4	-175.5	-60.6	-173	177.8	-172.7	0	112.8	I121 T122 Q146 N167	I121-K144 CarbonylContact O-C 3.13Å; I121-K144 VanDerWaalsContact O-CA 3.28Å; I121-K144 WeakPolarHBondContact O-CA 3.44Å; I121-K144 PolarHBondContact O-N 3.41Å; T122-K144 HydrophobicContact CG2-CB 3.82Å; K144-Q146 PolarHBondContact O-N 3.33Å; K144-N167 PolarHBondContact N-OD1 2.97Å
145	L	98.3	Very high	97.1	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	22%	0.215	C	C	.	.			trans	-60.6	124.5	-178.6	-60.1	173.7	0	0	0	110.1	I121 L124 L140 N143 L164 N167 S168 L169	I121-L145 HydrophobicContact CB-CD2 4.49Å; I121-L145 HydrophobicContact CG2-CD2 3.82Å; I121-L145 PolarHBondContact O-N 3.49Å; L124-L145 HydrophobicContact CD1-CD1 4.26Å; L124-L145 HydrophobicContact CD1-CD2 4.07Å; L124-L145 HydrophobicContact CG-CD2 4.02Å; L140-L145 HydrophobicContact CB-CD1 4.35Å; N143-L145 HydrophobicContact CB-CG 4.47Å; L145-L164 HydrophobicContact CD1-CD2 4.09Å; L145-N167 HydrophobicContact CB-CB 4.34Å; L145-N167 VanDerWaalsContact CB-OD1 3.29Å; L145-N167 WeakPolarHBondContact CB-OD1 3.31Å; L145-N167 WeakPolarHBondContact CG-OD1 3.09Å; L145-N167 PolarHBondContact N-OD1 3.16Å; L145-S168 CarbonylContact O-C 3.03Å; L145-S168 VanDerWaalsContact O-CA 3.29Å; L145-S168 WeakPolarHBondContact O-CA 3.43Å; L145-S168 PolarHBondContact O-N 3.26Å; L145-L169 HydrophobicContact CB-CD2 3.98Å; L145-L169 PolarHBondContact O-N 3.36Å
146	Q	96.4	Very high	97.1	Very high	94 Å²	94	44.1 Å²	44.1	44%	0.439	22%	0.215	S	C	.	.			trans	-99.6	-25.3	178.8	-60.3	-167	46.7	0	0	113.4	K144 K170	K144-Q146 PolarHBondContact O-N 3.33Å; Q146-K170 PolarHBondContact O-N 3.17Å
147	T	96	Very high	97	Very high	70 Å²	70	44.5 Å²	44.5	43%	0.429	22%	0.217	S	C	.	.			trans	-141	153.3	-179.1	50.4	0	0	0	0	109.7
148	L	96.1	Very high	97	Very high	10 Å²	10	48.2 Å²	48.2	5%	0.052	23%	0.232	C	C	.	.			trans	-105.6	150.2	161.6	-64.3	172.8	0	0	0	108.2	F153 L164 L169 P173 V176	L148-F153 HydrophobicContact CD1-CE2 4.27Å; L148-F153 HydrophobicContact CD2-CE2 4.36Å; L148-F153 HydrophobicContact CD2-CZ 4.17Å; L148-L164 HydrophobicContact CD1-CD1 4.08Å; L148-L164 HydrophobicContact CD2-CD1 4.47Å; L148-L164 HydrophobicContact CD2-CD2 4.11Å; L148-L169 HydrophobicContact CD1-CD1 4.03Å; L148-L169 HydrophobicContact CD2-CD1 4.4Å; L148-L169 HydrophobicContact CD2-CD2 4.28Å; L148-L169 HydrophobicContact CG-CD1 4.04Å; L148-L169 HydrophobicContact CG-CD2 3.93Å; L148-P173 HydrophobicContact CB-CG 3.95Å; L148-P173 WeakPolarHBondContact O-CG 3.5Å; L148-V176 HydrophobicContact CB-CG2 4.26Å; L148-V176 HydrophobicContact CD1-CG2 4.46Å
149	Q	94.3	Very high	97	Very high	45 Å²	45	48.2 Å²	48.2	21%	0.21	23%	0.232	C	C	.	.			trans	-85.5	149.8	173.5	-58.7	-63.1	-10.6	0	0	111	Y123 N126 E151 Q152 V176	Y123-Q149 VanDerWaalsContact CE2-NE2 3.26Å; N126-Q149 HydrophobicContact CB-CB 4.48Å; N126-Q149 WeakPolarHBondContact OD1-CB 3.5Å; N126-Q149 WeakPolarHBondContact OD1-CG 3.36Å; Q149-E151 PolarHBondContact O-N 2.84Å; Q149-E151 VanDerWaalsContact O-N 3.15Å; Q149-Q152 HydrophobicContact CB-CB 4.23Å; Q149-Q152 VanDerWaalsContact O-CB 3.32Å; Q149-Q152 WeakPolarHBondContact O-CB 3.39Å; Q149-Q152 PolarHBondContact O-N 3.37Å; Q149-Q152 VanDerWaalsContact O-N 3.13Å; Q149-V176 VanDerWaalsContact O-CG2 3.26Å; Q149-V176 WeakPolarHBondContact O-CG2 3.42Å
150	S	91.8	Very high	97	Very high	68 Å²	68	49.9 Å²	49.9	48%	0.476	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-27.4	-176.5	52	0	0	0	0	114.1
151	E	94.3	Very high	97	Very high	79 Å²	79	52.6 Å²	52.6	37%	0.369	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	15.4	178.5	-57.4	-149.9	132.4	0	0	114	H130 Q149 F153 K154	H130-E151 PolarHBondContact NE2-O 3.47Å; Q149-E151 PolarHBondContact O-N 2.84Å; Q149-E151 VanDerWaalsContact O-N 3.15Å; E151-F153 PolarHBondContact O-N 2.92Å; E151-F153 VanDerWaalsContact O-N 3.07Å; E151-K154 HydrophobicContact CB-CB 4.14Å; E151-K154 HydrophobicContact CB-CD 3.97Å; E151-K154 HydrophobicContact CG-CD 4.13Å; E151-K154 WeakPolarHBondContact O-CB 3.37Å; E151-K154 PolarHBondContact O-N 3.26Å; E151-K154 WeakPolarHBondContact OE1-CD 3.47Å; E151-K154 IonicContact OE1-NZ 3.71Å; E151-K154 PolarHBondContact OE1-NZ 3.05Å; E151-K154 VanDerWaalsContact OE2-CD 3.25Å; E151-K154 WeakPolarHBondContact OE2-CD 3.35Å; E151-K154 IonicContact OE2-NZ 3.24Å; E151-K154 PolarHBondContact OE2-NZ 3.22Å
152	Q	95.9	Very high	97	Very high	3 Å²	3	52.3 Å²	52.3	1%	0.014	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-35.9	-171	-167.2	66.3	72.8	0	0	114.3	H125 F129 Q149 V176	H125-Q152 PolarHBondContact O-NE2 3.44Å; F129-Q152 HydrophobicContact CD2-CG 4.43Å; F129-Q152 HydrophobicContact CE2-CG 4.36Å; Q149-Q152 HydrophobicContact CB-CB 4.23Å; Q149-Q152 VanDerWaalsContact O-CB 3.32Å; Q149-Q152 WeakPolarHBondContact O-CB 3.39Å; Q149-Q152 PolarHBondContact O-N 3.37Å; Q149-Q152 VanDerWaalsContact O-N 3.13Å; Q152-V176 HydrophobicContact CB-CG2 4.32Å
153	F	97.4	Very high	97	Very high	1 Å²	1	48.8 Å²	48.8	0%	0.004	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.4	18.5	-177.6	-50.2	-58.4	0	0	0	113	F129 L138 L140 L148 E151 L156 L162 L164 V176 F177	F129-F153 HydrophobicContact CD2-CD1 4.04Å; F129-F153 HydrophobicContact CD2-CE1 4.04Å; F129-F153 HydrophobicContact CE2-CD1 4.44Å; F129-F153 AromaticContact CE2-CE1 3.97Å; F129-F153 HydrophobicContact CE2-CE1 3.97Å; L138-F153 HydrophobicContact CD2-CD1 4.25Å; L138-F153 HydrophobicContact CD2-CE1 3.94Å; L140-F153 HydrophobicContact CD1-CE1 4.48Å; L148-F153 HydrophobicContact CD1-CE2 4.27Å; L148-F153 HydrophobicContact CD2-CE2 4.36Å; L148-F153 HydrophobicContact CD2-CZ 4.17Å; E151-F153 PolarHBondContact O-N 2.92Å; E151-F153 VanDerWaalsContact O-N 3.07Å; F153-L156 HydrophobicContact CB-CD1 4.01Å; F153-L156 HydrophobicContact CB-CG 4.46Å; F153-L156 HydrophobicContact CD1-CD1 3.93Å; F153-L156 HydrophobicContact CG-CD1 4.45Å; F153-L156 WeakPolarHBondContact O-CB 3.35Å; F153-L156 PolarHBondContact O-N 3.01Å; F153-L162 HydrophobicContact CD2-CD2 4.2Å; F153-L162 HydrophobicContact CE1-CD1 4.23Å; F153-L162 HydrophobicContact CE1-CD2 4.37Å; F153-L162 HydrophobicContact CE2-CD2 3.89Å; F153-L162 HydrophobicContact CZ-CD1 4.3Å; F153-L162 HydrophobicContact CZ-CD2 3.98Å; F153-L164 HydrophobicContact CE2-CD1 4.34Å; F153-L164 HydrophobicContact CZ-CD1 4.18Å; F153-V176 HydrophobicContact CD2-CG2 3.92Å; F153-V176 HydrophobicContact CE2-CG2 4.13Å; F153-F177 AromaticContact CD2-CD1 3.87Å; F153-F177 HydrophobicContact CD2-CD1 3.87Å; F153-F177 AromaticContact CD2-CE1 3.78Å; F153-F177 HydrophobicContact CD2-CE1 3.78Å; F153-F177 HydrophobicContact CE2-CD1 4.3Å; F153-F177 AromaticContact CE2-CE1 3.72Å; F153-F177 HydrophobicContact CE2-CE1 3.72Å
154	K	96.4	Very high	97	Very high	98 Å²	98	48.3 Å²	48.3	43%	0.426	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	137.5	176.4	178.4	170.4	173.3	175.4	0	110.6	E151 L156	E151-K154 HydrophobicContact CB-CB 4.14Å; E151-K154 HydrophobicContact CB-CD 3.97Å; E151-K154 HydrophobicContact CG-CD 4.13Å; E151-K154 WeakPolarHBondContact O-CB 3.37Å; E151-K154 PolarHBondContact O-N 3.26Å; E151-K154 WeakPolarHBondContact OE1-CD 3.47Å; E151-K154 IonicContact OE1-NZ 3.71Å; E151-K154 PolarHBondContact OE1-NZ 3.05Å; E151-K154 VanDerWaalsContact OE2-CD 3.25Å; E151-K154 WeakPolarHBondContact OE2-CD 3.35Å; E151-K154 IonicContact OE2-NZ 3.24Å; E151-K154 PolarHBondContact OE2-NZ 3.22Å; K154-L156 PolarHBondContact O-N 2.96Å
155	G	95.5	Very high	97	Very high	27 Å²	27	45.1 Å²	45.1	28%	0.278	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	-10.3	-177.1	0	0	0	0	0	116.1	R157	G155-R157 PolarHBondContact O-N 2.8Å
156	L	97.6	Very high	97	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.23	C	C	.	.			trans	-75.9	51	179.7	-58.5	-170.6	0	0	0	113.3	F129 L135 F153 K154 K158 L159	F129-L156 HydrophobicContact CB-CD1 3.96Å; F129-L156 HydrophobicContact CB-CD2 4.27Å; F129-L156 HydrophobicContact CB-CG 4.49Å; L135-L156 HydrophobicContact CB-CD2 4.48Å; L135-L156 HydrophobicContact CD1-CD2 4.45Å; F153-L156 HydrophobicContact CB-CD1 4.01Å; F153-L156 HydrophobicContact CB-CG 4.46Å; F153-L156 HydrophobicContact CD1-CD1 3.93Å; F153-L156 HydrophobicContact CG-CD1 4.45Å; F153-L156 WeakPolarHBondContact O-CB 3.35Å; F153-L156 PolarHBondContact O-N 3.01Å; K154-L156 PolarHBondContact O-N 2.96Å; L156-K158 PolarHBondContact O-N 2.95Å; L156-K158 VanDerWaalsContact O-N 3.14Å; L156-L159 HydrophobicContact CB-CB 4.21Å; L156-L159 HydrophobicContact CB-CD2 4.47Å; L156-L159 HydrophobicContact CD1-CD2 4.23Å; L156-L159 VanDerWaalsContact O-CB 3.31Å; L156-L159 WeakPolarHBondContact O-CB 3.43Å; L156-L159 PolarHBondContact O-N 2.83Å; L156-L159 VanDerWaalsContact O-N 3.15Å
157	R	97.3	Very high	97.1	Very high	137 Å²	137	42.2 Å²	42.2	52%	0.517	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-14	-175.1	-64.1	176.5	-177.5	179.5	2.2	114.2	G155 D179 N182	G155-R157 PolarHBondContact O-N 2.8Å; R157-D179 WeakPolarHBondContact CA-O 3.39Å; R157-D179 HydrophobicContact CG-CB 4.29Å; R157-D179 WeakPolarHBondContact CG-O 3.42Å; R157-D179 IonicContact CZ-OD1 3.99Å; R157-D179 IonicContact CZ-OD2 3.81Å; R157-D179 VanDerWaalsContact CZ-OD2 3.32Å; R157-D179 VanDerWaalsContact NE-CG 3.34Å; R157-D179 IonicContact NE-OD1 3.9Å; R157-D179 PolarHBondContact NE-OD1 3.06Å; R157-D179 IonicContact NE-OD2 2.69Å; R157-D179 PolarHBondContact NE-OD2 2.98Å; R157-D179 IonicContact NH2-OD1 2.68Å; R157-D179 IonicContact NH2-OD2 3.15Å; R157-D179 PolarHBondContact NH2-OD2 3.17Å; R157-N182 PolarHBondContact O-ND2 2.87Å
158	K	98.3	Very high	97.2	Very high	102 Å²	102	39.9 Å²	39.9	44%	0.443	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-1.4	178.9	-66.9	178.1	-174.3	176	0	113.3	N134 L135 L156 I160	N134-K158 WeakPolarHBondContact OD1-CD 3.5Å; N134-K158 PolarHBondContact OD1-NZ 3.36Å; L135-K158 CarbonylContact O-C 3.1Å; L135-K158 WeakPolarHBondContact O-CB 3.1Å; L156-K158 PolarHBondContact O-N 2.95Å; L156-K158 VanDerWaalsContact O-N 3.14Å; K158-I160 WeakPolarHBondContact O-CG1 3.46Å
159	L	98.7	Very high	97.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.196	C	C	.	.			trans	-64.6	135.6	178.8	-161.1	67	0	0	0	110	L135 L138 L156 L162 N182 L183	L135-L159 HydrophobicContact CB-CD1 4.12Å; L135-L159 WeakPolarHBondContact O-CA 3.34Å; L135-L159 PolarHBondContact O-N 2.89Å; L138-L159 HydrophobicContact CB-CD1 3.9Å; L156-L159 HydrophobicContact CB-CB 4.21Å; L156-L159 HydrophobicContact CB-CD2 4.47Å; L156-L159 HydrophobicContact CD1-CD2 4.23Å; L156-L159 VanDerWaalsContact O-CB 3.31Å; L156-L159 WeakPolarHBondContact O-CB 3.43Å; L156-L159 PolarHBondContact O-N 2.83Å; L156-L159 VanDerWaalsContact O-N 3.15Å; L159-L162 HydrophobicContact CD2-CB 4.12Å; L159-L162 HydrophobicContact CD2-CD1 4.43Å; L159-L162 HydrophobicContact CD2-CD2 4.32Å; L159-N182 CarbonylContact O-C 3.52Å; L159-L183 HydrophobicContact CB-CD1 4.25Å; L159-L183 HydrophobicContact CD2-CD1 3.94Å; L159-L183 HydrophobicContact CG-CD1 3.76Å; L159-L183 WeakPolarHBondContact O-CA 3.47Å; L159-L183 PolarHBondContact O-N 3.03Å
160	I	98.8	Very high	97.4	Very high	58 Å²	58	42.4 Å²	42.4	30%	0.297	21%	0.208	S	C	.	.			trans	-120.9	-41.2	-176.1	-51.6	-179.5	0	0	0	109.6	R136 K158 D184 F185	R136-I160 HydrophobicContact CB-CD1 4.2Å; R136-I160 HydrophobicContact CB-CG1 4.26Å; R136-I160 HydrophobicContact CG-CD1 4.29Å; R136-I160 WeakPolarHBondContact O-CA 3.11Å; R136-I160 WeakPolarHBondContact O-CB 3.47Å; R136-I160 PolarHBondContact O-N 3.1Å; K158-I160 WeakPolarHBondContact O-CG1 3.46Å; I160-D184 HydrophobicContact CG2-CB 3.71Å; I160-D184 WeakPolarHBondContact O-CB 3.11Å; I160-D184 PolarHBondContact O-N 2.93Å; I160-F185 PolarHBondContact O-N 3.42Å; I160-F185 VanDerWaalsContact O-N 3.11Å
161	I	98.9	Very high	97.6	Very high	58 Å²	58	42.8 Å²	42.8	30%	0.297	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	131.2	-178.8	-55.1	178.6	0	0	0	108.4	R136 N137 L138 H163 F185	R136-I161 PolarHBondContact O-N 2.88Å; N137-I161 HydrophobicContact CB-CB 4.48Å; N137-I161 WeakPolarHBondContact OD1-CG2 3.45Å; L138-I161 PolarHBondContact N-O 3.01Å; L138-I161 VanDerWaalsContact N-O 3.14Å; I161-H163 VanDerWaalsContact CG2-NE2 3.26Å; I161-H163 WeakPolarHBondContact CG2-NE2 3.5Å; I161-F185 HydrophobicContact CG1-CB 4.46Å; I161-F185 HydrophobicContact CG2-CB 4.49Å; I161-F185 HydrophobicContact CG2-CD1 3.89Å; I161-F185 HydrophobicContact CG2-CG 4.5Å
162	L	98.9	Very high	97.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	117.3	172.3	178.7	59.2	0	0	0	109.9	L138 F153 L159 L164 F177 L183 F185 L186 D187	L138-L162 HydrophobicContact CB-CD1 3.99Å; L138-L162 HydrophobicContact CD2-CD1 3.91Å; L138-L162 HydrophobicContact CG-CD1 3.91Å; L138-L162 WeakPolarHBondContact O-CA 3.29Å; F153-L162 HydrophobicContact CD2-CD2 4.2Å; F153-L162 HydrophobicContact CE1-CD1 4.23Å; F153-L162 HydrophobicContact CE1-CD2 4.37Å; F153-L162 HydrophobicContact CE2-CD2 3.89Å; F153-L162 HydrophobicContact CZ-CD1 4.3Å; F153-L162 HydrophobicContact CZ-CD2 3.98Å; L159-L162 HydrophobicContact CD2-CB 4.12Å; L159-L162 HydrophobicContact CD2-CD1 4.43Å; L159-L162 HydrophobicContact CD2-CD2 4.32Å; L162-L164 HydrophobicContact CD1-CD1 4.47Å; L162-L164 HydrophobicContact CD1-CG 4.33Å; L162-L164 HydrophobicContact CD2-CD1 3.97Å; L162-L164 HydrophobicContact CG-CD1 4.09Å; L162-L164 HydrophobicContact CG-CG 4.29Å; L162-F177 HydrophobicContact CD2-CD1 4.28Å; L162-F177 HydrophobicContact CD2-CE1 3.68Å; L162-L183 HydrophobicContact CB-CD1 3.83Å; L162-L183 HydrophobicContact CB-CD2 4.35Å; L162-F185 PolarHBondContact N-O 3.01Å; L162-F185 VanDerWaalsContact N-O 3.15Å; L162-L186 HydrophobicContact CB-CD1 4.07Å; L162-L186 HydrophobicContact CD2-CD1 3.89Å; L162-L186 HydrophobicContact CG-CD1 4Å; L162-D187 PolarHBondContact O-N 3.36Å
163	H	98.9	Very high	97.6	Very high	49 Å²	49	40.8 Å²	40.8	23%	0.227	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	125.3	172.5	-57.8	-94.7	0	0	0	111	L138 D139 L140 S141 I161 F185 D187	L138-H163 PolarHBondContact O-N 3.22Å; D139-H163 HydrophobicContact CB-CB 4.38Å; D139-H163 WeakPolarHBondContact OD1-CB 3.44Å; L140-H163 PolarHBondContact N-O 3.47Å; S141-H163 VanDerWaalsContact OG-CB 3.23Å; S141-H163 WeakPolarHBondContact OG-CB 3.3Å; I161-H163 VanDerWaalsContact CG2-NE2 3.26Å; I161-H163 WeakPolarHBondContact CG2-NE2 3.5Å; H163-F185 AromaticContact CE1-CE1 3.33Å; H163-F185 WeakPolarHBondContact CE1-CE1 3.24Å; H163-F185 AromaticContact CE1-CZ 3.92Å; H163-F185 AromaticContact ND1-CE1 3.48Å; H163-F185 WeakPolarHBondContact ND1-CE1 3.41Å; H163-D187 IonicContact ND1-OD2 3.22Å
164	L	98.8	Very high	97.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.226	C	C	.	.			trans	-126.4	18.3	174.8	-73.1	160.5	0	0	0	111.1	L140 L145 L148 F153 L162 N167 L169 D187 L188 N191	L140-L164 HydrophobicContact CB-CD2 3.94Å; L140-L164 HydrophobicContact CD1-CD2 3.88Å; L145-L164 HydrophobicContact CD1-CD2 4.09Å; L148-L164 HydrophobicContact CD1-CD1 4.08Å; L148-L164 HydrophobicContact CD2-CD1 4.47Å; L148-L164 HydrophobicContact CD2-CD2 4.11Å; F153-L164 HydrophobicContact CE2-CD1 4.34Å; F153-L164 HydrophobicContact CZ-CD1 4.18Å; L162-L164 HydrophobicContact CD1-CD1 4.47Å; L162-L164 HydrophobicContact CD1-CG 4.33Å; L162-L164 HydrophobicContact CD2-CD1 3.97Å; L162-L164 HydrophobicContact CG-CD1 4.09Å; L162-L164 HydrophobicContact CG-CG 4.29Å; L164-N167 PolarHBondContact O-ND2 3.46Å; L164-L169 HydrophobicContact CB-CD1 4.4Å; L164-D187 CarbonylContact C-O 3.58Å; L164-D187 WeakPolarHBondContact CA-O 3.49Å; L164-D187 WeakPolarHBondContact CB-O 3.47Å; L164-D187 PolarHBondContact N-O 2.81Å; L164-L188 HydrophobicContact CB-CD2 3.93Å; L164-L188 HydrophobicContact CD1-CD2 3.81Å; L164-N191 PolarHBondContact O-ND2 3.07Å
165	R	98.7	Very high	96.9	Very high	47 Å²	47	48.8 Å²	48.8	18%	0.177	24%	0.236	C	C	.	.			trans	-54.9	150.2	-176.5	-159.6	-175.7	-171	71.6	7.5	112.5	S141 Y142 N167 D187 G189 Y190 E213	S141-R165 CarbonylContact C-O 3.2Å; S141-R165 WeakPolarHBondContact CA-O 3.3Å; Y142-R165 PolarHBondContact N-O 3.34Å; R165-N167 VanDerWaalsContact C-N 3.33Å; R165-N167 PolarHBondContact O-N 2.78Å; R165-N167 PolarHBondContact O-ND2 2.78Å; R165-N167 VanDerWaalsContact O-ND2 3.1Å; R165-D187 WeakPolarHBondContact CB-OD2 3.44Å; R165-D187 VanDerWaalsContact CD-OD2 3.28Å; R165-D187 WeakPolarHBondContact CD-OD2 3.46Å; R165-D187 WeakPolarHBondContact CG-OD2 3.36Å; R165-D187 IonicContact CZ-OD2 2.89Å; R165-D187 IonicContact NE-OD2 3.21Å; R165-D187 VanDerWaalsContact NH1-CG 3.35Å; R165-D187 IonicContact NH1-OD1 3.67Å; R165-D187 PolarHBondContact NH1-OD1 2.83Å; R165-D187 IonicContact NH1-OD2 2.96Å; R165-D187 PolarHBondContact NH1-OD2 3.15Å; R165-G189 WeakPolarHBondContact CA-O 3.25Å; R165-Y190 VanDerWaalsContact NH2-CD2 3.34Å; R165-E213 IonicContact CZ-OE1 3.78Å; R165-E213 IonicContact NH1-OE1 3.64Å; R165-E213 PolarHBondContact NH1-OE1 3.01Å; R165-E213 IonicContact NH2-OE1 2.77Å; R165-E213 PolarHBondContact NH2-OE1 3.49Å
166	S	98.7	Very high	96.9	Very high	25 Å²	25	47.7 Å²	47.7	18%	0.175	22%	0.223	C	C	.	.	S	Bend	trans	55.7	47.8	168.8	-57.1	0	0	0	0	112.7	Y142 N143 G189 Y190	Y142-S166 WeakPolarHBondContact CA-O 3.43Å; Y142-S166 WeakPolarHBondContact CD1-OG 3.16Å; Y142-S166 WeakPolarHBondContact CE1-OG 3.37Å; N143-S166 PolarHBondContact N-O 2.83Å; S166-G189 PolarHBondContact N-O 3.26Å; S166-G189 VanDerWaalsContact N-O 3.08Å; S166-Y190 WeakPolarHBondContact CA-O 3.44Å; S166-Y190 PolarHBondContact N-O 2.61Å
167	N	98.8	Very high	96.9	Very high	9 Å²	9	47.7 Å²	47.7	5%	0.048	22%	0.223	C	C	.	.	S	Bend	trans	-115	-161.6	174.5	-87.9	-82	0	0	0	109.3	L140 N143 K144 L145 L164 R165 L169 Y190 N191	L140-N167 PolarHBondContact O-ND2 3.46Å; N143-N167 WeakPolarHBondContact CA-OD1 3.27Å; N143-N167 WeakPolarHBondContact CB-OD1 3.27Å; N143-N167 PolarHBondContact O-OD1 2.89Å; K144-N167 PolarHBondContact N-OD1 2.97Å; L145-N167 HydrophobicContact CB-CB 4.34Å; L145-N167 VanDerWaalsContact CB-OD1 3.29Å; L145-N167 WeakPolarHBondContact CB-OD1 3.31Å; L145-N167 WeakPolarHBondContact CG-OD1 3.09Å; L145-N167 PolarHBondContact N-OD1 3.16Å; L164-N167 PolarHBondContact O-ND2 3.46Å; R165-N167 VanDerWaalsContact C-N 3.33Å; R165-N167 PolarHBondContact O-N 2.78Å; R165-N167 PolarHBondContact O-ND2 2.78Å; R165-N167 VanDerWaalsContact O-ND2 3.1Å; N167-L169 HydrophobicContact CB-CG 4.31Å; N167-Y190 PolarHBondContact N-O 2.88Å; N167-N191 WeakPolarHBondContact CA-OD1 3.37Å; N167-N191 WeakPolarHBondContact CB-OD1 3.39Å
168	S	98.1	Very high	96.8	Very high	21 Å²	21	44.8 Å²	44.8	15%	0.147	22%	0.216	C	C	.	.			trans	-125.2	27.6	178.2	-71.4	0	0	0	0	112.7	L145 K170 N191 R192	L145-S168 CarbonylContact O-C 3.03Å; L145-S168 VanDerWaalsContact O-CA 3.29Å; L145-S168 WeakPolarHBondContact O-CA 3.43Å; L145-S168 PolarHBondContact O-N 3.26Å; S168-K170 PolarHBondContact O-N 2.95Å; S168-N191 PolarHBondContact N-OD1 3.42Å; S168-R192 PolarHBondContact OG-NE 2.94Å; S168-R192 PolarHBondContact OG-NH2 3.36Å
169	L	98.2	Very high	96.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.201	C	C	.	.			trans	-61.9	123.1	-178.2	-60	178.9	0	0	0	110.6	L145 L148 L164 N167 L188 N191 R192 L193	L145-L169 HydrophobicContact CB-CD2 3.98Å; L145-L169 PolarHBondContact O-N 3.36Å; L148-L169 HydrophobicContact CD1-CD1 4.03Å; L148-L169 HydrophobicContact CD2-CD1 4.4Å; L148-L169 HydrophobicContact CD2-CD2 4.28Å; L148-L169 HydrophobicContact CG-CD1 4.04Å; L148-L169 HydrophobicContact CG-CD2 3.93Å; L164-L169 HydrophobicContact CB-CD1 4.4Å; N167-L169 HydrophobicContact CB-CG 4.31Å; L169-L188 HydrophobicContact CD1-CD2 4.02Å; L169-N191 HydrophobicContact CB-CB 4.41Å; L169-N191 VanDerWaalsContact CB-OD1 3.28Å; L169-N191 WeakPolarHBondContact CB-OD1 3.48Å; L169-N191 WeakPolarHBondContact CG-OD1 3.32Å; L169-N191 PolarHBondContact N-OD1 3.17Å; L169-R192 CarbonylContact O-C 3.1Å; L169-R192 VanDerWaalsContact O-CA 3.27Å; L169-R192 WeakPolarHBondContact O-CA 3.35Å; L169-R192 WeakPolarHBondContact O-CB 3.44Å; L169-R192 PolarHBondContact O-N 3.22Å; L169-L193 HydrophobicContact CB-CD2 4.15Å; L169-L193 WeakPolarHBondContact O-CD2 3.1Å; L169-L193 PolarHBondContact O-N 2.91Å
170	K	96.5	Very high	96.6	Very high	108 Å²	108	41.1 Å²	41.1	47%	0.47	20%	0.201	S	C	.	.			trans	-90.5	-27.2	179.9	-63.5	169.8	-173.9	164	0	112.9	Q146 S168	Q146-K170 PolarHBondContact O-N 3.17Å; S168-K170 PolarHBondContact O-N 2.95Å
171	T	95.6	Very high	96.5	Very high	77 Å²	77	44 Å²	44	47%	0.472	21%	0.208	S	C	.	.			trans	-146.7	157.8	-177.5	54.9	0	0	0	0	111
172	V	95.8	Very high	96.4	Very high	12 Å²	12	44.3 Å²	44.3	7%	0.073	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-103.1	117.3	166	179.3	0	0	0	0	108	V176 F177 L188 L193 A200	V172-V176 HydrophobicContact CG1-CG1 3.84Å; V172-F177 HydrophobicContact CG1-CD2 4.45Å; V172-F177 HydrophobicContact CG1-CE2 3.73Å; V172-F177 HydrophobicContact CG1-CZ 4.47Å; V172-L188 HydrophobicContact CG2-CD1 4.12Å; V172-L193 HydrophobicContact CG2-CD1 3.98Å; V172-L193 HydrophobicContact CG2-CD2 3.96Å; V172-A200 HydrophobicContact CB-CB 4.3Å; V172-A200 HydrophobicContact CG1-CB 4.08Å
173	P	93.9	Very high	96.4	Very high	27 Å²	27	44.3 Å²	44.3	18%	0.175	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-63.6	145.1	179	-16.9	26.9	0	0	0	112.3	L148 R175 V176	L148-P173 HydrophobicContact CB-CG 3.95Å; L148-P173 WeakPolarHBondContact O-CG 3.5Å; P173-R175 PolarHBondContact O-N 2.79Å; P173-V176 HydrophobicContact CB-CB 4.2Å; P173-V176 HydrophobicContact CG-CB 4.39Å; P173-V176 VanDerWaalsContact O-CG1 3.3Å; P173-V176 WeakPolarHBondContact O-CG1 3.35Å; P173-V176 PolarHBondContact O-N 3.35Å
174	I	90.8	Very high	96.4	Very high	102 Å²	102	44.3 Å²	44.3	52%	0.523	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	134.3	175	-66.6	166.5	0	0	0	109.2	V176 S197	I174-V176 PolarHBondContact O-N 2.97Å; I174-S197 WeakPolarHBondContact CG1-OG 3.1Å
175	R	89.1	Confident	96.4	Very high	166 Å²	166	46.2 Å²	46.2	63%	0.626	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.4	10	179.4	-64.2	172.6	-169.1	-179.2	3.8	116.5	P173 F177 Q178	P173-R175 PolarHBondContact O-N 2.79Å; R175-F177 PolarHBondContact O-N 3.25Å; R175-Q178 HydrophobicContact CB-CB 3.93Å; R175-Q178 HydrophobicContact CB-CG 4.47Å; R175-Q178 HydrophobicContact CG-CB 4.48Å; R175-Q178 WeakPolarHBondContact O-CB 3.28Å; R175-Q178 PolarHBondContact O-N 2.94Å
176	V	95.8	Very high	96.4	Very high	3 Å²	3	44 Å²	44	2%	0.018	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-26.9	178.1	68.5	0	0	0	0	113.8	L148 Q149 Q152 F153 V172 P173 I174	L148-V176 HydrophobicContact CB-CG2 4.26Å; L148-V176 HydrophobicContact CD1-CG2 4.46Å; Q149-V176 VanDerWaalsContact O-CG2 3.26Å; Q149-V176 WeakPolarHBondContact O-CG2 3.42Å; Q152-V176 HydrophobicContact CB-CG2 4.32Å; F153-V176 HydrophobicContact CD2-CG2 3.92Å; F153-V176 HydrophobicContact CE2-CG2 4.13Å; V172-V176 HydrophobicContact CG1-CG1 3.84Å; P173-V176 HydrophobicContact CB-CB 4.2Å; P173-V176 HydrophobicContact CG-CB 4.39Å; P173-V176 VanDerWaalsContact O-CG1 3.3Å; P173-V176 WeakPolarHBondContact O-CG1 3.35Å; P173-V176 PolarHBondContact O-N 3.35Å; I174-V176 PolarHBondContact O-N 2.97Å
177	F	96.3	Very high	96.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	12.2	178.1	-54	-58.1	0	0	0	114.5	F153 L162 V172 R175 D179 C180 L186 F201 A202 L204	F153-F177 AromaticContact CD2-CD1 3.87Å; F153-F177 HydrophobicContact CD2-CD1 3.87Å; F153-F177 AromaticContact CD2-CE1 3.78Å; F153-F177 HydrophobicContact CD2-CE1 3.78Å; F153-F177 HydrophobicContact CE2-CD1 4.3Å; F153-F177 AromaticContact CE2-CE1 3.72Å; F153-F177 HydrophobicContact CE2-CE1 3.72Å; L162-F177 HydrophobicContact CD2-CD1 4.28Å; L162-F177 HydrophobicContact CD2-CE1 3.68Å; V172-F177 HydrophobicContact CG1-CD2 4.45Å; V172-F177 HydrophobicContact CG1-CE2 3.73Å; V172-F177 HydrophobicContact CG1-CZ 4.47Å; R175-F177 PolarHBondContact O-N 3.25Å; F177-D179 PolarHBondContact O-N 3.04Å; F177-C180 HydrophobicContact CB-CB 4.4Å; F177-C180 WeakPolarHBondContact O-CB 3.41Å; F177-C180 PolarHBondContact O-N 3.33Å; F177-L186 HydrophobicContact CD2-CD2 4.39Å; F177-L186 HydrophobicContact CE1-CD1 4.32Å; F177-L186 HydrophobicContact CE1-CD2 4.45Å; F177-L186 HydrophobicContact CE2-CD2 3.87Å; F177-L186 HydrophobicContact CZ-CD1 4.19Å; F177-L186 HydrophobicContact CZ-CD2 3.91Å; F177-F201 HydrophobicContact CD2-CD1 4.09Å; F177-F201 HydrophobicContact CE2-CD1 4.05Å; F177-F201 HydrophobicContact CE2-CE1 4.13Å; F177-A202 CarbonylContact C-O 3.08Å; F177-L204 HydrophobicContact CB-CD1 4.11Å; F177-L204 HydrophobicContact CB-CD2 3.62Å; F177-L204 HydrophobicContact CB-CG 3.77Å; F177-L204 HydrophobicContact CD2-CD1 3.95Å; F177-L204 HydrophobicContact CG-CD1 4.1Å; F177-L204 HydrophobicContact CG-CD2 4.22Å; F177-L204 HydrophobicContact CG-CG 4.32Å
178	Q	94.9	Very high	96.4	Very high	77 Å²	77	42.7 Å²	42.7	36%	0.36	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-27.4	-168.1	-179.7	59.6	80.4	0	0	114.7	R175 A202	R175-Q178 HydrophobicContact CB-CB 3.93Å; R175-Q178 HydrophobicContact CB-CG 4.47Å; R175-Q178 HydrophobicContact CG-CB 4.48Å; R175-Q178 WeakPolarHBondContact O-CB 3.28Å; R175-Q178 PolarHBondContact O-N 2.94Å; Q178-A202 VanDerWaalsContact CA-O 3.31Å; Q178-A202 WeakPolarHBondContact CA-O 3.23Å; Q178-A202 PolarHBondContact N-O 3.36Å
179	D	96.2	Very high	96.4	Very high	24 Å²	24	41.7 Å²	41.7	13%	0.128	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-3.1	178.4	-116.4	13.7	0	0	0	113.9	R157 F177 R181	R157-D179 WeakPolarHBondContact CA-O 3.39Å; R157-D179 HydrophobicContact CG-CB 4.29Å; R157-D179 WeakPolarHBondContact CG-O 3.42Å; R157-D179 IonicContact CZ-OD1 3.99Å; R157-D179 IonicContact CZ-OD2 3.81Å; R157-D179 VanDerWaalsContact CZ-OD2 3.32Å; R157-D179 VanDerWaalsContact NE-CG 3.34Å; R157-D179 IonicContact NE-OD1 3.9Å; R157-D179 PolarHBondContact NE-OD1 3.06Å; R157-D179 IonicContact NE-OD2 2.69Å; R157-D179 PolarHBondContact NE-OD2 2.98Å; R157-D179 IonicContact NH2-OD1 2.68Å; R157-D179 IonicContact NH2-OD2 3.15Å; R157-D179 PolarHBondContact NH2-OD2 3.17Å; F177-D179 PolarHBondContact O-N 3.04Å; D179-R181 PolarHBondContact O-N 2.73Å; D179-R181 IonicContact OD1-CZ 3.77Å; D179-R181 IonicContact OD1-NE 3.93Å; D179-R181 IonicContact OD1-NH2 2.68Å; D179-R181 PolarHBondContact OD1-NH2 2.96Å
180	C	97.1	Very high	96.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.215	C	C	.	.			trans	-78	46.8	-179.6	-57.6	0	0	0	0	112.8	F177 N182 L183 L204	F177-C180 HydrophobicContact CB-CB 4.4Å; F177-C180 WeakPolarHBondContact O-CB 3.41Å; F177-C180 PolarHBondContact O-N 3.33Å; C180-N182 PolarHBondContact O-N 2.78Å; C180-N182 VanDerWaalsContact O-N 3.1Å; C180-L183 HydrophobicContact CB-CB 4.26Å; C180-L183 VanDerWaalsContact O-CB 3.3Å; C180-L183 WeakPolarHBondContact O-CB 3.45Å; C180-L183 PolarHBondContact O-N 3.14Å; C180-L204 HydrophobicContact CB-CD2 3.87Å
181	R	95.8	Very high	96.5	Very high	120 Å²	120	41.8 Å²	41.8	45%	0.453	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-13.1	-166.5	-55.2	-178.6	-158.3	-171.1	5.8	115.4	D179 G203	D179-R181 PolarHBondContact O-N 2.73Å; D179-R181 IonicContact OD1-CZ 3.77Å; D179-R181 IonicContact OD1-NE 3.93Å; D179-R181 IonicContact OD1-NH2 2.68Å; D179-R181 PolarHBondContact OD1-NH2 2.96Å; R181-G203 WeakPolarHBondContact CA-O 3.41Å
182	N	97.8	Very high	96.7	Very high	64 Å²	64	44.1 Å²	44.1	34%	0.342	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	5	175.5	-73.7	-65.2	0	0	0	113.7	R157 L159 C180 D184 K206	R157-N182 PolarHBondContact O-ND2 2.87Å; L159-N182 CarbonylContact O-C 3.52Å; C180-N182 PolarHBondContact O-N 2.78Å; C180-N182 VanDerWaalsContact O-N 3.1Å; N182-D184 PolarHBondContact O-N 2.8Å; N182-K206 WeakPolarHBondContact OD1-CE 3.36Å; N182-K206 PolarHBondContact OD1-NZ 3.15Å
183	L	98.5	Very high	96.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	19%	0.191	C	C	.	.			trans	-63.9	132.1	179.4	-159.5	76	0	0	0	109.7	L159 L162 C180 L186 L204 K206 L207	L159-L183 HydrophobicContact CB-CD1 4.25Å; L159-L183 HydrophobicContact CD2-CD1 3.94Å; L159-L183 HydrophobicContact CG-CD1 3.76Å; L159-L183 WeakPolarHBondContact O-CA 3.47Å; L159-L183 PolarHBondContact O-N 3.03Å; L162-L183 HydrophobicContact CB-CD1 3.83Å; L162-L183 HydrophobicContact CB-CD2 4.35Å; C180-L183 HydrophobicContact CB-CB 4.26Å; C180-L183 VanDerWaalsContact O-CB 3.3Å; C180-L183 WeakPolarHBondContact O-CB 3.45Å; C180-L183 PolarHBondContact O-N 3.14Å; L183-L186 HydrophobicContact CD2-CB 3.96Å; L183-L186 HydrophobicContact CD2-CD1 4.34Å; L183-L186 HydrophobicContact CD2-CD2 4.44Å; L183-L186 HydrophobicContact CD2-CG 4.48Å; L183-L204 HydrophobicContact CB-CD2 3.84Å; L183-L204 HydrophobicContact CD2-CD1 4.37Å; L183-L204 HydrophobicContact CD2-CD2 3.57Å; L183-L204 HydrophobicContact CG-CD2 4.34Å; L183-K206 CarbonylContact O-C 3.47Å; L183-L207 HydrophobicContact CD2-CD1 4.14Å; L183-L207 HydrophobicContact CG-CD1 4.26Å; L183-L207 VanDerWaalsContact O-CA 3.23Å; L183-L207 WeakPolarHBondContact O-CA 3.44Å; L183-L207 PolarHBondContact O-N 3.45Å
184	D	98.4	Very high	96.9	Very high	48 Å²	48	50.5 Å²	50.5	26%	0.257	21%	0.214	S	C	.	.			trans	-114	-37.8	-173.5	-161.6	-4.9	0	0	0	110.2	I160 N182 K208 E209	I160-D184 HydrophobicContact CG2-CB 3.71Å; I160-D184 WeakPolarHBondContact O-CB 3.11Å; I160-D184 PolarHBondContact O-N 2.93Å; N182-D184 PolarHBondContact O-N 2.8Å; D184-K208 PolarHBondContact O-N 3.22Å; D184-K208 WeakPolarHBondContact OD1-CB 3.3Å; D184-K208 WeakPolarHBondContact OD1-CD 3.31Å; D184-K208 WeakPolarHBondContact OD1-CE 3.39Å; D184-K208 WeakPolarHBondContact OD1-CG 3.36Å; D184-K208 IonicContact OD1-NZ 3.45Å; D184-K208 PolarHBondContact OD1-NZ 3.3Å; D184-K208 IonicContact OD2-NZ 3.32Å; D184-K208 PolarHBondContact OD2-NZ 3.37Å; D184-E209 PolarHBondContact O-N 2.7Å; D184-E209 VanDerWaalsContact O-N 3.11Å
185	F	98.9	Very high	97	Very high	41 Å²	41	49.5 Å²	49.5	18%	0.18	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	132.6	-179.7	-179.9	-80.1	0	0	0	111	I160 I161 L162 H163 D187 E209 H211	I160-F185 PolarHBondContact O-N 3.42Å; I160-F185 VanDerWaalsContact O-N 3.11Å; I161-F185 HydrophobicContact CG1-CB 4.46Å; I161-F185 HydrophobicContact CG2-CB 4.49Å; I161-F185 HydrophobicContact CG2-CD1 3.89Å; I161-F185 HydrophobicContact CG2-CG 4.5Å; L162-F185 PolarHBondContact N-O 3.01Å; L162-F185 VanDerWaalsContact N-O 3.15Å; H163-F185 AromaticContact CE1-CE1 3.33Å; H163-F185 WeakPolarHBondContact CE1-CE1 3.24Å; H163-F185 AromaticContact CE1-CZ 3.92Å; H163-F185 AromaticContact ND1-CE1 3.48Å; H163-F185 WeakPolarHBondContact ND1-CE1 3.41Å; F185-D187 HydrophobicContact CE1-CB 3.61Å; F185-D187 HydrophobicContact CZ-CB 4.04Å; F185-E209 HydrophobicContact CD2-CB 3.96Å; F185-E209 HydrophobicContact CD2-CG 3.96Å; F185-E209 HydrophobicContact CE2-CG 4.07Å; F185-H211 AromaticContact CE2-CD2 3.56Å; F185-H211 AromaticContact CE2-NE2 3.48Å; F185-H211 WeakPolarHBondContact CE2-NE2 3.15Å; F185-H211 AromaticContact CZ-CD2 3.57Å; F185-H211 AromaticContact CZ-NE2 3.8Å
186	L	98.8	Very high	97.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	121.8	174.4	177.2	56.8	0	0	0	110.8	L162 F177 L183 L188 F201 L204 L207 E209 L210 H211	L162-L186 HydrophobicContact CB-CD1 4.07Å; L162-L186 HydrophobicContact CD2-CD1 3.89Å; L162-L186 HydrophobicContact CG-CD1 4Å; F177-L186 HydrophobicContact CD2-CD2 4.39Å; F177-L186 HydrophobicContact CE1-CD1 4.32Å; F177-L186 HydrophobicContact CE1-CD2 4.45Å; F177-L186 HydrophobicContact CE2-CD2 3.87Å; F177-L186 HydrophobicContact CZ-CD1 4.19Å; F177-L186 HydrophobicContact CZ-CD2 3.91Å; L183-L186 HydrophobicContact CD2-CB 3.96Å; L183-L186 HydrophobicContact CD2-CD1 4.34Å; L183-L186 HydrophobicContact CD2-CD2 4.44Å; L183-L186 HydrophobicContact CD2-CG 4.48Å; L186-L188 HydrophobicContact CD1-CD1 4.47Å; L186-L188 HydrophobicContact CD1-CG 4.22Å; L186-L188 HydrophobicContact CD2-CD1 3.97Å; L186-L188 HydrophobicContact CG-CD1 4.15Å; L186-L188 HydrophobicContact CG-CG 4.23Å; L186-F201 HydrophobicContact CD2-CD1 4.09Å; L186-F201 HydrophobicContact CD2-CE1 3.94Å; L186-L204 HydrophobicContact CD2-CD1 3.7Å; L186-L207 HydrophobicContact CB-CD1 3.72Å; L186-E209 PolarHBondContact N-O 2.89Å; L186-L210 HydrophobicContact CB-CD1 4.16Å; L186-L210 HydrophobicContact CD2-CD1 3.98Å; L186-L210 HydrophobicContact CG-CD1 4.05Å; L186-H211 PolarHBondContact O-N 3.1Å
187	D	98.9	Very high	96.9	Very high	7 Å²	7	44 Å²	44	4%	0.037	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	113.5	174	-177.3	-5.3	0	0	0	112.4	L162 H163 L164 R165 F185 G189 H211	L162-D187 PolarHBondContact O-N 3.36Å; H163-D187 IonicContact ND1-OD2 3.22Å; L164-D187 CarbonylContact C-O 3.58Å; L164-D187 WeakPolarHBondContact CA-O 3.49Å; L164-D187 WeakPolarHBondContact CB-O 3.47Å; L164-D187 PolarHBondContact N-O 2.81Å; R165-D187 WeakPolarHBondContact CB-OD2 3.44Å; R165-D187 VanDerWaalsContact CD-OD2 3.28Å; R165-D187 WeakPolarHBondContact CD-OD2 3.46Å; R165-D187 WeakPolarHBondContact CG-OD2 3.36Å; R165-D187 IonicContact CZ-OD2 2.89Å; R165-D187 IonicContact NE-OD2 3.21Å; R165-D187 VanDerWaalsContact NH1-CG 3.35Å; R165-D187 IonicContact NH1-OD1 3.67Å; R165-D187 PolarHBondContact NH1-OD1 2.83Å; R165-D187 IonicContact NH1-OD2 2.96Å; R165-D187 PolarHBondContact NH1-OD2 3.15Å; F185-D187 HydrophobicContact CE1-CB 3.61Å; F185-D187 HydrophobicContact CZ-CB 4.04Å; D187-G189 PolarHBondContact OD1-N 3.24Å; D187-H211 HydrophobicContact CB-CB 4.14Å
188	L	98.7	Very high	96.2	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	23%	0.228	C	C	.	.			trans	-119.2	15	173.1	-71.6	165.5	0	0	0	111.3	L164 L169 V172 L186 N191 L193 F201 H211 L212 N215	L164-L188 HydrophobicContact CB-CD2 3.93Å; L164-L188 HydrophobicContact CD1-CD2 3.81Å; L169-L188 HydrophobicContact CD1-CD2 4.02Å; V172-L188 HydrophobicContact CG2-CD1 4.12Å; L186-L188 HydrophobicContact CD1-CD1 4.47Å; L186-L188 HydrophobicContact CD1-CG 4.22Å; L186-L188 HydrophobicContact CD2-CD1 3.97Å; L186-L188 HydrophobicContact CG-CD1 4.15Å; L186-L188 HydrophobicContact CG-CG 4.23Å; L188-N191 WeakPolarHBondContact O-CB 3.48Å; L188-N191 PolarHBondContact O-ND2 3.23Å; L188-L193 HydrophobicContact CB-CD1 4.2Å; L188-F201 HydrophobicContact CD1-CE1 3.84Å; L188-F201 HydrophobicContact CD1-CZ 4.26Å; L188-H211 CarbonylContact C-O 3.6Å; L188-H211 WeakPolarHBondContact CA-O 3.41Å; L188-H211 PolarHBondContact N-O 2.8Å; L188-L212 HydrophobicContact CB-CD2 3.92Å; L188-L212 HydrophobicContact CD1-CD2 4.18Å; L188-N215 PolarHBondContact O-ND2 2.69Å
189	G	98.6	Very high	95.6	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	23%	0.229	C	C	.	.			trans	-64.1	160.6	178.5	0	0	0	0	0	112.3	R165 S166 D187 N191 H211 E213	R165-G189 WeakPolarHBondContact CA-O 3.25Å; S166-G189 PolarHBondContact N-O 3.26Å; S166-G189 VanDerWaalsContact N-O 3.08Å; D187-G189 PolarHBondContact OD1-N 3.24Å; G189-N191 VanDerWaalsContact C-N 3.34Å; G189-N191 PolarHBondContact O-N 3Å; G189-N191 PolarHBondContact O-ND2 2.97Å; G189-H211 PolarHBondContact N-O 2.68Å; G189-E213 CarbonylContact C-O 3.18Å; G189-E213 VanDerWaalsContact CA-O 3.25Å; G189-E213 WeakPolarHBondContact CA-O 3.45Å
190	Y	98.7	Very high	95.3	Very high	101 Å²	101	49.3 Å²	49.3	40%	0.396	22%	0.223	S	C	.	.	S	Bend	trans	55.8	46.3	177.9	-72.4	-112.9	0	0	0	112.4	R165 S166 N167 E213 H214	R165-Y190 VanDerWaalsContact NH2-CD2 3.34Å; S166-Y190 WeakPolarHBondContact CA-O 3.44Å; S166-Y190 PolarHBondContact N-O 2.61Å; N167-Y190 PolarHBondContact N-O 2.88Å; Y190-E213 HydrophobicContact CD2-CG 4.4Å; Y190-E213 HydrophobicContact CE2-CG 4.21Å; Y190-E213 PolarHBondContact N-O 2.93Å; Y190-H214 WeakPolarHBondContact CA-O 3.41Å; Y190-H214 HydrophobicContact CD1-CB 4.19Å; Y190-H214 HydrophobicContact CD2-CB 3.68Å; Y190-H214 AromaticContact CD2-CD2 3.91Å; Y190-H214 AromaticContact CD2-CG 3.95Å; Y190-H214 HydrophobicContact CE1-CB 4.31Å; Y190-H214 HydrophobicContact CE2-CB 3.77Å; Y190-H214 AromaticContact CE2-CD2 3.1Å; Y190-H214 WeakPolarHBondContact CE2-CD2 3.37Å; Y190-H214 AromaticContact CE2-CG 3.48Å; Y190-H214 VanDerWaalsContact CE2-CG 3.48Å; Y190-H214 AromaticContact CE2-NE2 3.72Å; Y190-H214 HydrophobicContact CG-CB 3.87Å; Y190-H214 AromaticContact CZ-CD2 3.34Å; Y190-H214 AromaticContact CZ-CE1 3.83Å; Y190-H214 AromaticContact CZ-CG 3.52Å; Y190-H214 AromaticContact CZ-ND1 3.83Å; Y190-H214 AromaticContact CZ-NE2 3.52Å; Y190-H214 PolarHBondContact OH-CD2 3.22Å; Y190-H214 PolarHBondContact OH-CE1 3.22Å; Y190-H214 VanDerWaalsContact OH-CE1 3.31Å; Y190-H214 PolarHBondContact OH-NE2 3.4Å
191	N	98.8	Very high	95.2	Very high	9 Å²	9	49.8 Å²	49.8	5%	0.048	23%	0.225	C	C	.	.	S	Bend	trans	-122.1	-162.8	178.5	-89.9	-82.5	0	0	0	110.6	L164 N167 S168 L169 L188 G189 L193 H214 N215	L164-N191 PolarHBondContact O-ND2 3.07Å; N167-N191 WeakPolarHBondContact CA-OD1 3.37Å; N167-N191 WeakPolarHBondContact CB-OD1 3.39Å; S168-N191 PolarHBondContact N-OD1 3.42Å; L169-N191 HydrophobicContact CB-CB 4.41Å; L169-N191 VanDerWaalsContact CB-OD1 3.28Å; L169-N191 WeakPolarHBondContact CB-OD1 3.48Å; L169-N191 WeakPolarHBondContact CG-OD1 3.32Å; L169-N191 PolarHBondContact N-OD1 3.17Å; L188-N191 WeakPolarHBondContact O-CB 3.48Å; L188-N191 PolarHBondContact O-ND2 3.23Å; G189-N191 VanDerWaalsContact C-N 3.34Å; G189-N191 PolarHBondContact O-N 3Å; G189-N191 PolarHBondContact O-ND2 2.97Å; N191-L193 HydrophobicContact CB-CG 4.31Å; N191-H214 PolarHBondContact N-O 3.26Å; N191-N215 WeakPolarHBondContact CA-OD1 3.49Å; N191-N215 WeakPolarHBondContact CB-OD1 3.35Å; N191-N215 PolarHBondContact O-OD1 3.1Å
192	R	98.2	Very high	95	Very high	125 Å²	125	44.3 Å²	44.3	47%	0.472	21%	0.205	S	C	.	.			trans	-122.5	26.1	-176.4	-56.8	-179.8	-174.1	-169.5	0.8	111.7	S168 L169 R194 N215	S168-R192 PolarHBondContact OG-NE 2.94Å; S168-R192 PolarHBondContact OG-NH2 3.36Å; L169-R192 CarbonylContact O-C 3.1Å; L169-R192 VanDerWaalsContact O-CA 3.27Å; L169-R192 WeakPolarHBondContact O-CA 3.35Å; L169-R192 WeakPolarHBondContact O-CB 3.44Å; L169-R192 PolarHBondContact O-N 3.22Å; R192-R194 PolarHBondContact O-N 3.05Å; R192-N215 PolarHBondContact N-OD1 2.82Å
193	L	98	Very high	94.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	19%	0.192	C	C	.	.			trans	-68.6	124.9	-177	-57.7	176.5	0	0	0	110.3	L169 V172 L188 N191 L212 N215 Q216 F217	L169-L193 HydrophobicContact CB-CD2 4.15Å; L169-L193 WeakPolarHBondContact O-CD2 3.1Å; L169-L193 PolarHBondContact O-N 2.91Å; V172-L193 HydrophobicContact CG2-CD1 3.98Å; V172-L193 HydrophobicContact CG2-CD2 3.96Å; L188-L193 HydrophobicContact CB-CD1 4.2Å; N191-L193 HydrophobicContact CB-CG 4.31Å; L193-L212 HydrophobicContact CD1-CD2 4.06Å; L193-N215 HydrophobicContact CB-CB 4.35Å; L193-N215 VanDerWaalsContact CB-OD1 3.24Å; L193-N215 WeakPolarHBondContact CB-OD1 3.47Å; L193-N215 VanDerWaalsContact CG-OD1 3.3Å; L193-N215 WeakPolarHBondContact CG-OD1 3.26Å; L193-N215 PolarHBondContact N-OD1 3.22Å; L193-Q216 CarbonylContact O-C 3.56Å; L193-Q216 VanDerWaalsContact O-C 3.26Å; L193-Q216 VanDerWaalsContact O-CA 3.27Å; L193-Q216 WeakPolarHBondContact O-CA 3.45Å; L193-Q216 WeakPolarHBondContact O-CB 3.3Å; L193-Q216 PolarHBondContact O-N 2.81Å; L193-F217 HydrophobicContact CB-CE1 3.75Å; L193-F217 HydrophobicContact CB-CE2 4.19Å; L193-F217 HydrophobicContact CB-CZ 3.42Å; L193-F217 VanDerWaalsContact CB-CZ 3.42Å; L193-F217 HydrophobicContact CD1-CZ 3.98Å; L193-F217 HydrophobicContact CG-CZ 4.35Å; L193-F217 PolarHBondContact O-N 2.98Å
194	R	96.1	Very high	94.6	Very high	173 Å²	173	41.6 Å²	41.6	65%	0.653	19%	0.192	S	C	*	.			trans	-101	-27	-178.9	-69.6	177.9	175.7	-171.7	-3.2	114.1	R192 Q216	R192-R194 PolarHBondContact O-N 3.05Å; R194-Q216 HydrophobicContact CG-CB 3.76Å
195	S	93.8	Very high	94.4	Very high	81 Å²	81	43.2 Å²	43.2	57%	0.566	20%	0.2	S	C	*	.			trans	-155.6	160.2	-177	58.4	0	0	0	0	111
196	L	92.1	Very high	94.3	Very high	15 Å²	15	46.5 Å²	46.5	8%	0.079	22%	0.215	C	C	.	.			trans	-115.9	138.9	174	-65.2	170.3	0	0	0	108.7	F201 L212 F217 F225	L196-F201 HydrophobicContact CD1-CE2 3.94Å; L196-F201 HydrophobicContact CD2-CE2 3.74Å; L196-F201 HydrophobicContact CD2-CZ 3.8Å; L196-F201 HydrophobicContact CG-CE2 4.4Å; L196-L212 HydrophobicContact CD1-CD1 4.23Å; L196-F217 HydrophobicContact CD1-CE1 4.43Å; L196-F217 HydrophobicContact CD1-CZ 4.44Å; L196-F217 HydrophobicContact CD2-CE1 4.09Å; L196-F217 HydrophobicContact CD2-CZ 4.03Å; L196-F217 HydrophobicContact CG-CE1 3.76Å; L196-F217 HydrophobicContact CG-CZ 4.04Å; L196-F225 HydrophobicContact CD1-CE1 3.84Å; L196-F225 HydrophobicContact CD1-CZ 3.66Å
197	S	89.6	Confident	94.3	Very high	40 Å²	40	46.5 Å²	46.5	28%	0.28	22%	0.215	S	C	.	.			trans	-83.3	150.2	169	66.7	0	0	0	0	110.3	I174 N199 A200	I174-S197 WeakPolarHBondContact CG1-OG 3.1Å; S197-N199 PolarHBondContact O-N 3.24Å; S197-A200 WeakPolarHBondContact O-CB 3.46Å; S197-A200 PolarHBondContact O-N 3.14Å; S197-A200 PolarHBondContact OG-N 2.76Å
198	R	82	Confident	94.3	Very high	140 Å²	140	49.5 Å²	49.5	53%	0.528	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-13.8	-178.1	-174.1	177.9	-77.8	-161.6	-2	114.7
199	N	83.1	Confident	94.3	Very high	72 Å²	72	52.2 Å²	52.2	39%	0.385	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.2	22.9	177.5	-70.4	-70.8	0	0	0	113.6	S197 F201 A202	S197-N199 PolarHBondContact O-N 3.24Å; N199-F201 VanDerWaalsContact C-N 3.27Å; N199-F201 PolarHBondContact O-N 2.99Å; N199-A202 HydrophobicContact CB-CB 4.31Å; N199-A202 WeakPolarHBondContact O-CB 3.49Å; N199-A202 PolarHBondContact O-N 3.15Å
200	A	90.6	Very high	94.3	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-40.8	178.5	0	0	0	0	0	112.5	V172 S197	V172-A200 HydrophobicContact CB-CB 4.3Å; V172-A200 HydrophobicContact CG1-CB 4.08Å; S197-A200 WeakPolarHBondContact O-CB 3.46Å; S197-A200 PolarHBondContact O-N 3.14Å; S197-A200 PolarHBondContact OG-N 2.76Å
201	F	93.6	Very high	94.3	Very high	9 Å²	9	48.7 Å²	48.7	4%	0.039	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	21.3	-178.2	-56.7	-63.6	0	0	0	113.8	F177 L186 L188 L196 N199 G203 L204 L210 L212 F225 L228	F177-F201 HydrophobicContact CD2-CD1 4.09Å; F177-F201 HydrophobicContact CE2-CD1 4.05Å; F177-F201 HydrophobicContact CE2-CE1 4.13Å; L186-F201 HydrophobicContact CD2-CD1 4.09Å; L186-F201 HydrophobicContact CD2-CE1 3.94Å; L188-F201 HydrophobicContact CD1-CE1 3.84Å; L188-F201 HydrophobicContact CD1-CZ 4.26Å; L196-F201 HydrophobicContact CD1-CE2 3.94Å; L196-F201 HydrophobicContact CD2-CE2 3.74Å; L196-F201 HydrophobicContact CD2-CZ 3.8Å; L196-F201 HydrophobicContact CG-CE2 4.4Å; N199-F201 VanDerWaalsContact C-N 3.27Å; N199-F201 PolarHBondContact O-N 2.99Å; F201-G203 PolarHBondContact O-N 2.94Å; F201-L204 HydrophobicContact CB-CD1 4.04Å; F201-L204 HydrophobicContact CD1-CD1 3.81Å; F201-L204 HydrophobicContact CG-CD1 4.37Å; F201-L204 WeakPolarHBondContact O-CB 3.46Å; F201-L204 PolarHBondContact O-N 3.05Å; F201-L210 HydrophobicContact CE1-CD1 4.15Å; F201-L210 HydrophobicContact CE2-CD2 4.17Å; F201-L210 HydrophobicContact CZ-CD1 4.28Å; F201-L210 HydrophobicContact CZ-CD2 4.2Å; F201-L212 HydrophobicContact CZ-CD1 4.33Å; F201-L212 HydrophobicContact CZ-CD2 4.35Å; F201-F225 HydrophobicContact CD2-CD1 4.06Å; F201-F225 HydrophobicContact CD2-CE1 4.07Å; F201-F225 HydrophobicContact CE2-CD1 4.27Å; F201-F225 AromaticContact CE2-CE1 3.8Å; F201-F225 HydrophobicContact CE2-CE1 3.8Å; F201-L228 HydrophobicContact CB-CD1 4.35Å; F201-L228 HydrophobicContact CB-CD2 4.03Å; F201-L228 HydrophobicContact CB-CG 4.47Å
202	A	91.8	Very high	94.3	Very high	5 Å²	5	48.2 Å²	48.2	4%	0.041	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	130.3	175	0	0	0	0	0	111	F177 Q178 N199	F177-A202 CarbonylContact C-O 3.08Å; Q178-A202 VanDerWaalsContact CA-O 3.31Å; Q178-A202 WeakPolarHBondContact CA-O 3.23Å; Q178-A202 PolarHBondContact N-O 3.36Å; N199-A202 HydrophobicContact CB-CB 4.31Å; N199-A202 WeakPolarHBondContact O-CB 3.49Å; N199-A202 PolarHBondContact O-N 3.15Å
203	G	92.6	Very high	94.3	Very high	7 Å²	7	42.5 Å²	42.5	7%	0.072	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	104.4	-19.9	-176.8	0	0	0	0	0	114.8	R181 F201 L205	R181-G203 WeakPolarHBondContact CA-O 3.41Å; F201-G203 PolarHBondContact O-N 2.94Å; G203-L205 PolarHBondContact O-N 2.8Å
204	L	96.2	Very high	94.3	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	22%	0.217	C	C	.	.			trans	-80.4	54.8	-175	-62.9	-171.2	0	0	0	113.8	F177 C180 L183 L186 F201 K206 L207 L228	F177-L204 HydrophobicContact CB-CD1 4.11Å; F177-L204 HydrophobicContact CB-CD2 3.62Å; F177-L204 HydrophobicContact CB-CG 3.77Å; F177-L204 HydrophobicContact CD2-CD1 3.95Å; F177-L204 HydrophobicContact CG-CD1 4.1Å; F177-L204 HydrophobicContact CG-CD2 4.22Å; F177-L204 HydrophobicContact CG-CG 4.32Å; C180-L204 HydrophobicContact CB-CD2 3.87Å; L183-L204 HydrophobicContact CB-CD2 3.84Å; L183-L204 HydrophobicContact CD2-CD1 4.37Å; L183-L204 HydrophobicContact CD2-CD2 3.57Å; L183-L204 HydrophobicContact CG-CD2 4.34Å; L186-L204 HydrophobicContact CD2-CD1 3.7Å; F201-L204 HydrophobicContact CB-CD1 4.04Å; F201-L204 HydrophobicContact CD1-CD1 3.81Å; F201-L204 HydrophobicContact CG-CD1 4.37Å; F201-L204 WeakPolarHBondContact O-CB 3.46Å; F201-L204 PolarHBondContact O-N 3.05Å; L204-K206 VanDerWaalsContact C-N 3.31Å; L204-K206 PolarHBondContact O-N 2.73Å; L204-L207 HydrophobicContact CB-CB 4.07Å; L204-L207 HydrophobicContact CB-CD2 4.32Å; L204-L207 HydrophobicContact CD1-CD2 3.93Å; L204-L207 PolarHBondContact O-N 3.04Å; L204-L228 HydrophobicContact CB-CD2 3.85Å
205	L	93.5	Very high	94.4	Very high	81 Å²	81	37.7 Å²	37.7	42%	0.424	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-26.2	-170.1	-60.8	177.9	0	0	0	114.8	G203 N230	G203-L205 PolarHBondContact O-N 2.8Å; L205-N230 PolarHBondContact O-ND2 3.12Å
206	K	97	Very high	94.6	Very high	110 Å²	110	36.5 Å²	36.5	48%	0.478	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	1.1	-178	-70.7	-166.7	-176.2	172.8	0	114.7	N182 L183 L204 K208	N182-K206 WeakPolarHBondContact OD1-CE 3.36Å; N182-K206 PolarHBondContact OD1-NZ 3.15Å; L183-K206 CarbonylContact O-C 3.47Å; L204-K206 VanDerWaalsContact C-N 3.31Å; L204-K206 PolarHBondContact O-N 2.73Å; K206-K208 PolarHBondContact O-N 2.86Å
207	L	98.3	Very high	94.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.17	C	C	.	.			trans	-61.9	122.2	-173.1	-170.9	77	0	0	0	110.3	L183 L186 L204 L210 L228 N230 L231	L183-L207 HydrophobicContact CD2-CD1 4.14Å; L183-L207 HydrophobicContact CG-CD1 4.26Å; L183-L207 VanDerWaalsContact O-CA 3.23Å; L183-L207 WeakPolarHBondContact O-CA 3.44Å; L183-L207 PolarHBondContact O-N 3.45Å; L186-L207 HydrophobicContact CB-CD1 3.72Å; L204-L207 HydrophobicContact CB-CB 4.07Å; L204-L207 HydrophobicContact CB-CD2 4.32Å; L204-L207 HydrophobicContact CD1-CD2 3.93Å; L204-L207 PolarHBondContact O-N 3.04Å; L207-L210 HydrophobicContact CD2-CB 4.19Å; L207-L210 HydrophobicContact CD2-CD1 4.47Å; L207-L228 HydrophobicContact CD2-CD1 4.3Å; L207-L228 HydrophobicContact CD2-CD2 4.12Å; L207-N230 CarbonylContact O-C 3.26Å; L207-L231 HydrophobicContact CB-CD1 4.47Å; L207-L231 HydrophobicContact CD2-CD1 3.83Å; L207-L231 HydrophobicContact CG-CD1 3.84Å; L207-L231 WeakPolarHBondContact O-CA 3.42Å; L207-L231 PolarHBondContact O-N 3.07Å
208	K	98.4	Very high	95.3	Very high	71 Å²	71	36.9 Å²	36.9	31%	0.309	18%	0.178	S	C	.	.			trans	-100.8	-27.5	175.1	-62.8	-169.9	-149	91.4	0	112.8	D184 K206 L231 R232 S233	D184-K208 PolarHBondContact O-N 3.22Å; D184-K208 WeakPolarHBondContact OD1-CB 3.3Å; D184-K208 WeakPolarHBondContact OD1-CD 3.31Å; D184-K208 WeakPolarHBondContact OD1-CE 3.39Å; D184-K208 WeakPolarHBondContact OD1-CG 3.36Å; D184-K208 IonicContact OD1-NZ 3.45Å; D184-K208 PolarHBondContact OD1-NZ 3.3Å; D184-K208 IonicContact OD2-NZ 3.32Å; D184-K208 PolarHBondContact OD2-NZ 3.37Å; K206-K208 PolarHBondContact O-N 2.86Å; K208-L231 VanDerWaalsContact C-CD1 3.49Å; K208-R232 HydrophobicContact CB-CG 4.41Å; K208-R232 PolarHBondContact O-N 3.29Å; K208-S233 PolarHBondContact O-N 3.11Å
209	E	98.7	Very high	95.9	Very high	57 Å²	57	37.4 Å²	37.4	27%	0.266	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	129.7	-172.7	-169.4	156.4	144.1	0	0	112.7	D184 F185 L186 H211 Y235	D184-E209 PolarHBondContact O-N 2.7Å; D184-E209 VanDerWaalsContact O-N 3.11Å; F185-E209 HydrophobicContact CD2-CB 3.96Å; F185-E209 HydrophobicContact CD2-CG 3.96Å; F185-E209 HydrophobicContact CE2-CG 4.07Å; L186-E209 PolarHBondContact N-O 2.89Å; E209-H211 IonicContact OE1-CD2 3.5Å; E209-H211 IonicContact OE1-CE1 3.57Å; E209-H211 IonicContact OE1-NE2 3.89Å; E209-H211 PolarHBondContact OE1-NE2 3.31Å; E209-Y235 HydrophobicContact CG-CD2 4.5Å; E209-Y235 HydrophobicContact CG-CE2 3.86Å
210	L	98.6	Very high	96.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	113	-175.4	178.3	57	0	0	0	110.9	L186 F201 L207 L212 F225 L228 L231 S233 I234 Y235	L186-L210 HydrophobicContact CB-CD1 4.16Å; L186-L210 HydrophobicContact CD2-CD1 3.98Å; L186-L210 HydrophobicContact CG-CD1 4.05Å; F201-L210 HydrophobicContact CE1-CD1 4.15Å; F201-L210 HydrophobicContact CE2-CD2 4.17Å; F201-L210 HydrophobicContact CZ-CD1 4.28Å; F201-L210 HydrophobicContact CZ-CD2 4.2Å; L207-L210 HydrophobicContact CD2-CB 4.19Å; L207-L210 HydrophobicContact CD2-CD1 4.47Å; L210-L212 HydrophobicContact CD1-CD1 4.32Å; L210-L212 HydrophobicContact CD1-CG 4.12Å; L210-L212 HydrophobicContact CD2-CD1 3.83Å; L210-L212 HydrophobicContact CD2-CG 4.49Å; L210-L212 HydrophobicContact CG-CD1 3.89Å; L210-L212 HydrophobicContact CG-CG 4.02Å; L210-F225 HydrophobicContact CD2-CD1 4.44Å; L210-F225 HydrophobicContact CD2-CE1 4.1Å; L210-L228 HydrophobicContact CD2-CD1 4.07Å; L210-L231 HydrophobicContact CB-CD1 3.72Å; L210-L231 HydrophobicContact CB-CD2 4.2Å; L210-L231 HydrophobicContact CD2-CD2 4.42Å; L210-S233 PolarHBondContact N-O 2.86Å; L210-S233 VanDerWaalsContact N-O 3.09Å; L210-I234 HydrophobicContact CB-CG1 4.41Å; L210-I234 HydrophobicContact CD2-CD1 4.15Å; L210-I234 HydrophobicContact CD2-CG1 4.36Å; L210-I234 HydrophobicContact CG-CG1 4.41Å; L210-Y235 PolarHBondContact O-N 3.04Å
211	H	98.8	Very high	96.6	Very high	26 Å²	26	36 Å²	36	12%	0.12	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	120.3	176.6	-70.6	-98.3	0	0	0	110.3	F185 L186 D187 L188 G189 E209 E213 Y235	F185-H211 AromaticContact CE2-CD2 3.56Å; F185-H211 AromaticContact CE2-NE2 3.48Å; F185-H211 WeakPolarHBondContact CE2-NE2 3.15Å; F185-H211 AromaticContact CZ-CD2 3.57Å; F185-H211 AromaticContact CZ-NE2 3.8Å; L186-H211 PolarHBondContact O-N 3.1Å; D187-H211 HydrophobicContact CB-CB 4.14Å; L188-H211 CarbonylContact C-O 3.6Å; L188-H211 WeakPolarHBondContact CA-O 3.41Å; L188-H211 PolarHBondContact N-O 2.8Å; G189-H211 PolarHBondContact N-O 2.68Å; E209-H211 IonicContact OE1-CD2 3.5Å; E209-H211 IonicContact OE1-CE1 3.57Å; E209-H211 IonicContact OE1-NE2 3.89Å; E209-H211 PolarHBondContact OE1-NE2 3.31Å; H211-E213 WeakPolarHBondContact CA-OE2 3.47Å; H211-E213 WeakPolarHBondContact CB-OE2 3.46Å; H211-E213 IonicContact CG-OE2 2.69Å; H211-E213 IonicContact ND1-OE1 3.85Å; H211-E213 IonicContact ND1-OE2 2.69Å; H211-Y235 AromaticContact CD2-CD2 3.86Å; H211-Y235 AromaticContact CE1-CD2 3.22Å; H211-Y235 WeakPolarHBondContact CE1-CD2 3.4Å; H211-Y235 AromaticContact CE1-CE2 3.31Å; H211-Y235 WeakPolarHBondContact CE1-CE2 3.46Å; H211-Y235 AromaticContact CE1-CG 3.98Å; H211-Y235 AromaticContact CG-CD2 3.77Å; H211-Y235 AromaticContact ND1-CD2 3.39Å; H211-Y235 WeakPolarHBondContact ND1-CD2 3.49Å; H211-Y235 AromaticContact ND1-CE2 3.97Å; H211-Y235 AromaticContact ND1-CG 3.88Å; H211-Y235 AromaticContact NE2-CD2 3.52Å; H211-Y235 AromaticContact NE2-CE2 3.42Å; H211-Y235 WeakPolarHBondContact NE2-CE2 3.23Å
212	L	98.6	Very high	96.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.175	C	C	.	.			trans	-136.6	12.4	-177	-76.2	172.3	0	0	0	111.9	L188 L193 L196 F201 L210 N215 F217 F225 I234 Y235 L236 N239	L188-L212 HydrophobicContact CB-CD2 3.92Å; L188-L212 HydrophobicContact CD1-CD2 4.18Å; L193-L212 HydrophobicContact CD1-CD2 4.06Å; L196-L212 HydrophobicContact CD1-CD1 4.23Å; F201-L212 HydrophobicContact CZ-CD1 4.33Å; F201-L212 HydrophobicContact CZ-CD2 4.35Å; L210-L212 HydrophobicContact CD1-CD1 4.32Å; L210-L212 HydrophobicContact CD1-CG 4.12Å; L210-L212 HydrophobicContact CD2-CD1 3.83Å; L210-L212 HydrophobicContact CD2-CG 4.49Å; L210-L212 HydrophobicContact CG-CD1 3.89Å; L210-L212 HydrophobicContact CG-CG 4.02Å; L212-N215 PolarHBondContact O-ND2 2.98Å; L212-F217 HydrophobicContact CB-CE2 4.07Å; L212-F217 HydrophobicContact CD2-CE2 4.02Å; L212-F217 HydrophobicContact CD2-CZ 4.09Å; L212-F217 HydrophobicContact CG-CE2 4.47Å; L212-F225 HydrophobicContact CD1-CE1 4.41Å; L212-I234 HydrophobicContact CD1-CD1 4.46Å; L212-Y235 CarbonylContact C-O 3.57Å; L212-Y235 VanDerWaalsContact C-O 3.31Å; L212-Y235 VanDerWaalsContact CA-O 3.32Å; L212-Y235 WeakPolarHBondContact CA-O 3.26Å; L212-Y235 WeakPolarHBondContact CB-O 3.4Å; L212-Y235 PolarHBondContact N-O 3.11Å; L212-L236 HydrophobicContact CB-CD2 3.79Å; L212-L236 HydrophobicContact CD1-CD2 4.12Å; L212-N239 PolarHBondContact O-ND2 3.34Å
213	E	98.7	Very high	96.3	Very high	5 Å²	5	35.7 Å²	35.7	2%	0.023	18%	0.175	C	C	.	.			trans	-68.3	162.5	-179.6	77.2	-79.3	-172.2	0	0	112.8	R165 G189 Y190 H211 N215 Y235 Q237	R165-E213 IonicContact CZ-OE1 3.78Å; R165-E213 IonicContact NH1-OE1 3.64Å; R165-E213 PolarHBondContact NH1-OE1 3.01Å; R165-E213 IonicContact NH2-OE1 2.77Å; R165-E213 PolarHBondContact NH2-OE1 3.49Å; G189-E213 CarbonylContact C-O 3.18Å; G189-E213 VanDerWaalsContact CA-O 3.25Å; G189-E213 WeakPolarHBondContact CA-O 3.45Å; Y190-E213 HydrophobicContact CD2-CG 4.4Å; Y190-E213 HydrophobicContact CE2-CG 4.21Å; Y190-E213 PolarHBondContact N-O 2.93Å; H211-E213 WeakPolarHBondContact CA-OE2 3.47Å; H211-E213 WeakPolarHBondContact CB-OE2 3.46Å; H211-E213 IonicContact CG-OE2 2.69Å; H211-E213 IonicContact ND1-OE1 3.85Å; H211-E213 IonicContact ND1-OE2 2.69Å; E213-N215 VanDerWaalsContact C-N 3.26Å; E213-N215 PolarHBondContact O-N 2.88Å; E213-N215 PolarHBondContact O-ND2 2.73Å; E213-Y235 PolarHBondContact N-O 3.39Å; E213-Q237 CarbonylContact C-O 3.48Å; E213-Q237 WeakPolarHBondContact CA-O 3.44Å; E213-Q237 VanDerWaalsContact CB-CD 3.46Å; E213-Q237 HydrophobicContact CB-CG 3.82Å; E213-Q237 VanDerWaalsContact CB-O 3.26Å; E213-Q237 WeakPolarHBondContact CB-O 3.2Å
214	H	98.6	Very high	96.1	Very high	62 Å²	62	38 Å²	38	29%	0.287	18%	0.184	S	C	.	.	S	Bend	trans	49.6	46.2	179.6	-65.5	-96.1	0	0	0	112.9	Y190 N191 Q237 W238	Y190-H214 WeakPolarHBondContact CA-O 3.41Å; Y190-H214 HydrophobicContact CD1-CB 4.19Å; Y190-H214 HydrophobicContact CD2-CB 3.68Å; Y190-H214 AromaticContact CD2-CD2 3.91Å; Y190-H214 AromaticContact CD2-CG 3.95Å; Y190-H214 HydrophobicContact CE1-CB 4.31Å; Y190-H214 HydrophobicContact CE2-CB 3.77Å; Y190-H214 AromaticContact CE2-CD2 3.1Å; Y190-H214 WeakPolarHBondContact CE2-CD2 3.37Å; Y190-H214 AromaticContact CE2-CG 3.48Å; Y190-H214 VanDerWaalsContact CE2-CG 3.48Å; Y190-H214 AromaticContact CE2-NE2 3.72Å; Y190-H214 HydrophobicContact CG-CB 3.87Å; Y190-H214 AromaticContact CZ-CD2 3.34Å; Y190-H214 AromaticContact CZ-CE1 3.83Å; Y190-H214 AromaticContact CZ-CG 3.52Å; Y190-H214 AromaticContact CZ-ND1 3.83Å; Y190-H214 AromaticContact CZ-NE2 3.52Å; Y190-H214 PolarHBondContact OH-CD2 3.22Å; Y190-H214 PolarHBondContact OH-CE1 3.22Å; Y190-H214 VanDerWaalsContact OH-CE1 3.31Å; Y190-H214 PolarHBondContact OH-NE2 3.4Å; N191-H214 PolarHBondContact N-O 3.26Å; H214-Q237 PolarHBondContact N-O 3.19Å; H214-W238 WeakPolarHBondContact CA-O 3.45Å; H214-W238 AromaticContact CD2-CD1 3.92Å; H214-W238 VanDerWaalsContact CE1-CB 3.44Å; H214-W238 WeakPolarHBondContact CE1-CB 3.44Å; H214-W238 AromaticContact CE1-CD1 3.51Å; H214-W238 AromaticContact CE1-CG 3.45Å; H214-W238 VanDerWaalsContact CE1-CG 3.45Å; H214-W238 WeakPolarHBondContact ND1-CB 3.33Å; H214-W238 AromaticContact NE2-CD1 3.17Å; H214-W238 AromaticContact NE2-CG 3.55Å
215	N	98.8	Very high	95.7	Very high	9 Å²	9	38.2 Å²	38.2	5%	0.048	19%	0.185	C	C	.	.	S	Bend	trans	-114	-156.4	174.7	-89.8	-81.7	0	0	0	109.9	L188 N191 R192 L193 L212 E213 F217 N239	L188-N215 PolarHBondContact O-ND2 2.69Å; N191-N215 WeakPolarHBondContact CA-OD1 3.49Å; N191-N215 WeakPolarHBondContact CB-OD1 3.35Å; N191-N215 PolarHBondContact O-OD1 3.1Å; R192-N215 PolarHBondContact N-OD1 2.82Å; L193-N215 HydrophobicContact CB-CB 4.35Å; L193-N215 VanDerWaalsContact CB-OD1 3.24Å; L193-N215 WeakPolarHBondContact CB-OD1 3.47Å; L193-N215 VanDerWaalsContact CG-OD1 3.3Å; L193-N215 WeakPolarHBondContact CG-OD1 3.26Å; L193-N215 PolarHBondContact N-OD1 3.22Å; L212-N215 PolarHBondContact O-ND2 2.98Å; E213-N215 VanDerWaalsContact C-N 3.26Å; E213-N215 PolarHBondContact O-N 2.88Å; E213-N215 PolarHBondContact O-ND2 2.73Å; N215-F217 HydrophobicContact CB-CD2 3.93Å; N215-F217 HydrophobicContact CB-CE2 3.75Å; N215-N239 VanDerWaalsContact CA-OD1 3.24Å; N215-N239 WeakPolarHBondContact CA-OD1 3.27Å; N215-N239 WeakPolarHBondContact CB-OD1 3.34Å; N215-N239 PolarHBondContact N-OD1 2.95Å; N215-N239 PolarHBondContact O-OD1 3.38Å
216	Q	98.1	Very high	95	Very high	56 Å²	56	36.7 Å²	36.7	26%	0.262	18%	0.18	S	C	.	.			trans	-124.8	25.3	-176.3	-58.7	-175.2	4.7	0	0	112.5	L193 R194 S218 N239	L193-Q216 CarbonylContact O-C 3.56Å; L193-Q216 VanDerWaalsContact O-C 3.26Å; L193-Q216 VanDerWaalsContact O-CA 3.27Å; L193-Q216 WeakPolarHBondContact O-CA 3.45Å; L193-Q216 WeakPolarHBondContact O-CB 3.3Å; L193-Q216 PolarHBondContact O-N 2.81Å; R194-Q216 HydrophobicContact CG-CB 3.76Å; Q216-S218 PolarHBondContact O-N 3.14Å; Q216-N239 PolarHBondContact N-OD1 3.27Å
217	F	97.9	Very high	94.4	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.182	C	C	.	.			trans	-66.4	127.2	-180	-61.6	-59.9	0	0	0	111.3	L193 L196 L212 N215 I220 L236 N239 R240 I241	L193-F217 HydrophobicContact CB-CE1 3.75Å; L193-F217 HydrophobicContact CB-CE2 4.19Å; L193-F217 HydrophobicContact CB-CZ 3.42Å; L193-F217 VanDerWaalsContact CB-CZ 3.42Å; L193-F217 HydrophobicContact CD1-CZ 3.98Å; L193-F217 HydrophobicContact CG-CZ 4.35Å; L193-F217 PolarHBondContact O-N 2.98Å; L196-F217 HydrophobicContact CD1-CE1 4.43Å; L196-F217 HydrophobicContact CD1-CZ 4.44Å; L196-F217 HydrophobicContact CD2-CE1 4.09Å; L196-F217 HydrophobicContact CD2-CZ 4.03Å; L196-F217 HydrophobicContact CG-CE1 3.76Å; L196-F217 HydrophobicContact CG-CZ 4.04Å; L212-F217 HydrophobicContact CB-CE2 4.07Å; L212-F217 HydrophobicContact CD2-CE2 4.02Å; L212-F217 HydrophobicContact CD2-CZ 4.09Å; L212-F217 HydrophobicContact CG-CE2 4.47Å; N215-F217 HydrophobicContact CB-CD2 3.93Å; N215-F217 HydrophobicContact CB-CE2 3.75Å; F217-I220 HydrophobicContact CB-CD1 4.17Å; F217-I220 HydrophobicContact CG-CD1 4.2Å; F217-L236 HydrophobicContact CD2-CD2 4.27Å; F217-N239 HydrophobicContact CB-CB 4.37Å; F217-N239 WeakPolarHBondContact CD2-OD1 3.5Å; F217-N239 PolarHBondContact N-OD1 2.92Å; F217-N239 VanDerWaalsContact N-OD1 3.07Å; F217-R240 CarbonylContact O-C 3.53Å; F217-R240 WeakPolarHBondContact O-CA 3.45Å; F217-R240 PolarHBondContact O-N 2.79Å; F217-I241 HydrophobicContact CB-CG1 4.11Å; F217-I241 WeakPolarHBondContact O-CG1 3.16Å; F217-I241 PolarHBondContact O-N 3Å; F217-I241 VanDerWaalsContact O-N 3.1Å
218	S	96.6	Very high	94.1	Very high	64 Å²	64	38.2 Å²	38.2	45%	0.448	18%	0.183	S	C	.	.	S	Bend	trans	-101.4	-22.6	179.7	60	0	0	0	0	114.4	Q216 R240 R242	Q216-S218 PolarHBondContact O-N 3.14Å; S218-R240 WeakPolarHBondContact CA-O 3.43Å; S218-R242 PolarHBondContact O-N 3.33Å
219	K	95.3	Very high	93.7	Very high	150 Å²	150	40.9 Å²	40.9	65%	0.652	20%	0.195	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-144.4	147	174.3	-59.4	-170.8	-179.5	-172.4	0	109.3	S243	K219-S243 WeakPolarHBondContact CA-O 3.26Å
220	I	94.9	Very high	93.6	Very high	6 Å²	6	41.9 Å²	41.9	3%	0.031	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	138.5	169.6	-66.5	-66.1	0	0	0	109.8	F217 F222 F225 L236 I241 S243 I244 S245	F217-I220 HydrophobicContact CB-CD1 4.17Å; F217-I220 HydrophobicContact CG-CD1 4.2Å; I220-F222 HydrophobicContact CG2-CD1 4.03Å; I220-F222 HydrophobicContact CG2-CE1 4.05Å; I220-F225 HydrophobicContact CG2-CE2 4.31Å; I220-L236 HydrophobicContact CD1-CD1 4.49Å; I220-L236 HydrophobicContact CD1-CD2 3.97Å; I220-L236 HydrophobicContact CG1-CD1 4.27Å; I220-L236 HydrophobicContact CG1-CD2 4.39Å; I220-L236 HydrophobicContact CG2-CD1 4.38Å; I220-I241 HydrophobicContact CD1-CD1 4.45Å; I220-I241 HydrophobicContact CG1-CD1 3.58Å; I220-I241 HydrophobicContact CG1-CG1 4Å; I220-I241 HydrophobicContact CG1-CG2 4.35Å; I220-S243 PolarHBondContact N-O 3.15Å; I220-I244 HydrophobicContact CB-CG2 4.43Å; I220-I244 WeakPolarHBondContact O-CA 3.34Å; I220-S245 PolarHBondContact O-N 2.91Å; I220-S245 PolarHBondContact O-OG 3.36Å; I220-S245 VanDerWaalsContact O-OG 3.12Å
221	N	93.1	Very high	93.6	Very high	38 Å²	38	41.9 Å²	41.9	20%	0.203	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	120.5	172.5	-173.1	-67.9	0	0	0	107.9	A223 H224 S245 G247	N221-A223 PolarHBondContact O-N 2.95Å; N221-A223 VanDerWaalsContact OD1-CB 3.29Å; N221-A223 WeakPolarHBondContact OD1-CB 3.32Å; N221-A223 PolarHBondContact OD1-N 3.47Å; N221-H224 WeakPolarHBondContact O-CB 3.2Å; N221-H224 PolarHBondContact O-N 3.08Å; N221-H224 VanDerWaalsContact O-N 3.11Å; N221-S245 CarbonylContact C-O 3.59Å; N221-S245 WeakPolarHBondContact CA-O 3.06Å; N221-S245 PolarHBondContact ND2-OG 3.35Å; N221-S245 VanDerWaalsContact ND2-OG 3.08Å; N221-G247 WeakPolarHBondContact ND2-CA 3.35Å
222	F	91.8	Very high	93.5	Very high	2 Å²	2	47 Å²	47	1%	0.009	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-66.1	-26.7	-173.9	-61	-43.8	0	0	0	112.4	I220 H224 F225 S245 W250 W252 L258 T272 L276	I220-F222 HydrophobicContact CG2-CD1 4.03Å; I220-F222 HydrophobicContact CG2-CE1 4.05Å; F222-H224 PolarHBondContact O-N 3.2Å; F222-F225 WeakPolarHBondContact O-CD2 3.48Å; F222-F225 PolarHBondContact O-N 2.9Å; F222-S245 PolarHBondContact N-O 2.93Å; F222-W250 HydrophobicContact CB-CZ2 4.01Å; F222-W250 WeakPolarHBondContact O-CZ2 3.3Å; F222-W252 HydrophobicContact CD1-CZ3 4.43Å; F222-L258 HydrophobicContact CZ-CD2 4.13Å; F222-T272 HydrophobicContact CD2-CG2 4.33Å; F222-T272 HydrophobicContact CE2-CG2 3.68Å; F222-L276 HydrophobicContact CD2-CD1 4.5Å; F222-L276 HydrophobicContact CE2-CD1 3.95Å; F222-L276 HydrophobicContact CZ-CD1 4.15Å
223	A	88.3	Confident	93.5	Very high	5 Å²	5	47.8 Å²	47.8	4%	0.041	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-68.6	10.4	172.5	0	0	0	0	0	114.7	N221 P226 Q246	N221-A223 PolarHBondContact O-N 2.95Å; N221-A223 VanDerWaalsContact OD1-CB 3.29Å; N221-A223 WeakPolarHBondContact OD1-CB 3.32Å; N221-A223 PolarHBondContact OD1-N 3.47Å; A223-P226 WeakPolarHBondContact O-CD 3.32Å; A223-Q246 PolarHBondContact N-O 2.87Å
224	H	87.8	Confident	93.5	Very high	56 Å²	56	47.7 Å²	47.7	26%	0.259	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-86.8	-9.6	161.9	-66.3	173.1	0	0	0	114	N221 F222 P226	N221-H224 WeakPolarHBondContact O-CB 3.2Å; N221-H224 PolarHBondContact O-N 3.08Å; N221-H224 VanDerWaalsContact O-N 3.11Å; F222-H224 PolarHBondContact O-N 3.2Å; H224-P226 WeakPolarHBondContact O-CD 3.13Å
225	F	88.8	Confident	93.5	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.018	22%	0.22	C	C	.	.			trans	-109.7	23.3	178.5	-50.9	-75.3	0	0	0	115.9	L196 F201 L210 L212 I220 F222 R227 L228 I234 W252	L196-F225 HydrophobicContact CD1-CE1 3.84Å; L196-F225 HydrophobicContact CD1-CZ 3.66Å; F201-F225 HydrophobicContact CD2-CD1 4.06Å; F201-F225 HydrophobicContact CD2-CE1 4.07Å; F201-F225 HydrophobicContact CE2-CD1 4.27Å; F201-F225 AromaticContact CE2-CE1 3.8Å; F201-F225 HydrophobicContact CE2-CE1 3.8Å; L210-F225 HydrophobicContact CD2-CD1 4.44Å; L210-F225 HydrophobicContact CD2-CE1 4.1Å; L212-F225 HydrophobicContact CD1-CE1 4.41Å; I220-F225 HydrophobicContact CG2-CE2 4.31Å; F222-F225 WeakPolarHBondContact O-CD2 3.48Å; F222-F225 PolarHBondContact O-N 2.9Å; F225-R227 PolarHBondContact O-N 3.02Å; F225-L228 HydrophobicContact CB-CD1 4.12Å; F225-L228 HydrophobicContact CB-CG 4.4Å; F225-L228 HydrophobicContact CD1-CD1 3.75Å; F225-L228 HydrophobicContact CG-CD1 4.38Å; F225-L228 PolarHBondContact O-N 3.06Å; F225-I234 HydrophobicContact CD1-CD1 4.42Å; F225-I234 HydrophobicContact CE1-CD1 3.85Å; F225-I234 HydrophobicContact CE2-CD1 4.07Å; F225-I234 HydrophobicContact CZ-CD1 3.66Å; F225-W252 HydrophobicContact CB-CH2 3.38Å; F225-W252 HydrophobicContact CB-CZ2 3.77Å; F225-W252 HydrophobicContact CB-CZ3 3.86Å; F225-W252 HydrophobicContact CD1-CH2 4.36Å; F225-W252 AromaticContact CD2-CH2 3.69Å; F225-W252 HydrophobicContact CD2-CH2 3.69Å; F225-W252 AromaticContact CD2-CZ3 3.77Å; F225-W252 HydrophobicContact CD2-CZ3 3.77Å; F225-W252 AromaticContact CG-CH2 3.56Å; F225-W252 HydrophobicContact CG-CH2 3.56Å; F225-W252 HydrophobicContact CG-CZ2 4.34Å; F225-W252 HydrophobicContact CG-CZ3 4.07Å
226	P	78.5	Confident	93.5	Very high	49 Å²	49	46.5 Å²	46.5	32%	0.318	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	4.2	-162	34.9	-40.5	0	0	0	115.4	A223 H224 F229	A223-P226 WeakPolarHBondContact O-CD 3.32Å; H224-P226 WeakPolarHBondContact O-CD 3.13Å; P226-F229 VanDerWaalsContact O-CE1 3.27Å; P226-F229 WeakPolarHBondContact O-CE1 3.41Å; P226-F229 WeakPolarHBondContact O-CZ 3.41Å
227	R	83.3	Confident	93.5	Very high	139 Å²	139	45.2 Å²	45.2	53%	0.525	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.4	2.3	177.4	-63.8	-175.5	178.4	-161.3	-2.7	113.2	F225 F229	F225-R227 PolarHBondContact O-N 3.02Å; R227-F229 HydrophobicContact CB-CE2 4.25Å; R227-F229 HydrophobicContact CB-CZ 4.49Å; R227-F229 HydrophobicContact CG-CZ 4.46Å; R227-F229 WeakPolarHBondContact O-CD2 3.37Å; R227-F229 PolarHBondContact O-N 3.05Å
228	L	92.8	Very high	93.6	Very high	3 Å²	3	51.7 Å²	51.7	2%	0.016	24%	0.236	C	C	.	.			trans	-85.9	54.1	178.3	-63	-169.8	0	0	0	110.8	F201 L204 L207 L210 F225 N230 L231 W252	F201-L228 HydrophobicContact CB-CD1 4.35Å; F201-L228 HydrophobicContact CB-CD2 4.03Å; F201-L228 HydrophobicContact CB-CG 4.47Å; L204-L228 HydrophobicContact CB-CD2 3.85Å; L207-L228 HydrophobicContact CD2-CD1 4.3Å; L207-L228 HydrophobicContact CD2-CD2 4.12Å; L210-L228 HydrophobicContact CD2-CD1 4.07Å; F225-L228 HydrophobicContact CB-CD1 4.12Å; F225-L228 HydrophobicContact CB-CG 4.4Å; F225-L228 HydrophobicContact CD1-CD1 3.75Å; F225-L228 HydrophobicContact CG-CD1 4.38Å; F225-L228 PolarHBondContact O-N 3.06Å; L228-N230 PolarHBondContact O-N 2.97Å; L228-L231 HydrophobicContact CB-CB 3.94Å; L228-L231 HydrophobicContact CD1-CD2 4.11Å; L228-L231 WeakPolarHBondContact O-CB 3.39Å; L228-L231 PolarHBondContact O-N 3.09Å; L228-W252 HydrophobicContact CB-CZ2 4.21Å; L228-W252 PolarHBondContact O-NE1 3.32Å
229	F	90.8	Very high	93.7	Very high	128 Å²	128	49.1 Å²	49.1	56%	0.561	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-16.8	-171.7	-55.6	-62.9	0	0	0	114.4	P226 R227 S254	P226-F229 VanDerWaalsContact O-CE1 3.27Å; P226-F229 WeakPolarHBondContact O-CE1 3.41Å; P226-F229 WeakPolarHBondContact O-CZ 3.41Å; R227-F229 HydrophobicContact CB-CE2 4.25Å; R227-F229 HydrophobicContact CB-CZ 4.49Å; R227-F229 HydrophobicContact CG-CZ 4.46Å; R227-F229 WeakPolarHBondContact O-CD2 3.37Å; R227-F229 PolarHBondContact O-N 3.05Å; F229-S254 VanDerWaalsContact C-OG 3.27Å; F229-S254 WeakPolarHBondContact O-CB 3.21Å; F229-S254 PolarHBondContact O-OG 3.08Å
230	N	96.3	Very high	93.8	Very high	77 Å²	77	49.4 Å²	49.4	41%	0.412	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-0.4	177.7	-76.3	-77.6	0	0	0	114.2	L205 L207 L228 R232	L205-N230 PolarHBondContact O-ND2 3.12Å; L207-N230 CarbonylContact O-C 3.26Å; L228-N230 PolarHBondContact O-N 2.97Å; N230-R232 PolarHBondContact O-N 3.11Å
231	L	97.5	Very high	93.9	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	21%	0.213	C	C	.	.			trans	-71.6	121.3	-172.6	-166.4	81.8	0	0	0	111.2	L207 K208 L210 L228 I234 W252 S254 L255	L207-L231 HydrophobicContact CB-CD1 4.47Å; L207-L231 HydrophobicContact CD2-CD1 3.83Å; L207-L231 HydrophobicContact CG-CD1 3.84Å; L207-L231 WeakPolarHBondContact O-CA 3.42Å; L207-L231 PolarHBondContact O-N 3.07Å; K208-L231 VanDerWaalsContact C-CD1 3.49Å; L210-L231 HydrophobicContact CB-CD1 3.72Å; L210-L231 HydrophobicContact CB-CD2 4.2Å; L210-L231 HydrophobicContact CD2-CD2 4.42Å; L228-L231 HydrophobicContact CB-CB 3.94Å; L228-L231 HydrophobicContact CD1-CD2 4.11Å; L228-L231 WeakPolarHBondContact O-CB 3.39Å; L228-L231 PolarHBondContact O-N 3.09Å; L231-I234 HydrophobicContact CD2-CB 3.97Å; L231-I234 HydrophobicContact CD2-CD1 4.35Å; L231-I234 HydrophobicContact CD2-CG1 4.39Å; L231-W252 HydrophobicContact CB-CZ2 4.05Å; L231-W252 HydrophobicContact CD2-CH2 3.99Å; L231-W252 HydrophobicContact CD2-CZ2 3.55Å; L231-W252 HydrophobicContact CG-CZ2 4.38Å; L231-S254 CarbonylContact O-C 3.56Å; L231-L255 HydrophobicContact CD2-CD1 4.16Å; L231-L255 HydrophobicContact CG-CD1 4.41Å; L231-L255 VanDerWaalsContact O-CA 3.32Å; L231-L255 WeakPolarHBondContact O-CA 3.48Å; L231-L255 PolarHBondContact O-N 2.89Å
232	R	98.1	Very high	94.1	Very high	133 Å²	133	54.9 Å²	54.9	50%	0.502	23%	0.232	S	C	.	.			trans	-101.1	-36	-178.8	-57.2	-175.3	179.3	-164.6	-5.2	112.4	K208 N230 S254 H256 N257	K208-R232 HydrophobicContact CB-CG 4.41Å; K208-R232 PolarHBondContact O-N 3.29Å; N230-R232 PolarHBondContact O-N 3.11Å; R232-S254 WeakPolarHBondContact CA-O 3.44Å; R232-H256 PolarHBondContact O-N 3.07Å; R232-N257 PolarHBondContact O-N 2.65Å
233	S	98.6	Very high	94.3	Very high	18 Å²	18	56.9 Å²	56.9	13%	0.126	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	129	-176	-60.4	0	0	0	0	111	K208 L210 N257	K208-S233 PolarHBondContact O-N 3.11Å; L210-S233 PolarHBondContact N-O 2.86Å; L210-S233 VanDerWaalsContact N-O 3.09Å; S233-N257 WeakPolarHBondContact CA-O 3.33Å
234	I	98.1	Very high	94.6	Very high	2 Å²	2	56.8 Å²	56.8	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	130.1	167.7	-164.1	173.1	0	0	0	110.5	L210 L212 F225 L231 L236 W252 L255 N257 L258 D259	L210-I234 HydrophobicContact CB-CG1 4.41Å; L210-I234 HydrophobicContact CD2-CD1 4.15Å; L210-I234 HydrophobicContact CD2-CG1 4.36Å; L210-I234 HydrophobicContact CG-CG1 4.41Å; L212-I234 HydrophobicContact CD1-CD1 4.46Å; F225-I234 HydrophobicContact CD1-CD1 4.42Å; F225-I234 HydrophobicContact CE1-CD1 3.85Å; F225-I234 HydrophobicContact CE2-CD1 4.07Å; F225-I234 HydrophobicContact CZ-CD1 3.66Å; L231-I234 HydrophobicContact CD2-CB 3.97Å; L231-I234 HydrophobicContact CD2-CD1 4.35Å; L231-I234 HydrophobicContact CD2-CG1 4.39Å; I234-L236 HydrophobicContact CD1-CD1 4.09Å; I234-L236 HydrophobicContact CD1-CG 4.44Å; I234-L236 HydrophobicContact CG1-CD1 4.3Å; I234-L236 HydrophobicContact CG1-CG 4.27Å; I234-W252 HydrophobicContact CD1-CH2 4.47Å; I234-L255 HydrophobicContact CB-CD1 4.3Å; I234-L255 HydrophobicContact CG2-CD1 3.95Å; I234-L255 HydrophobicContact CG2-CD2 4.2Å; I234-N257 PolarHBondContact N-O 2.82Å; I234-L258 HydrophobicContact CG2-CB 4.49Å; I234-L258 HydrophobicContact CG2-CD1 3.51Å; I234-D259 PolarHBondContact O-N 3.11Å; I234-D259 VanDerWaalsContact O-N 3.13Å
235	Y	98.8	Very high	94.9	Very high	46 Å²	46	55.1 Å²	55.1	18%	0.18	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	113.3	-176.8	-60.5	-75.9	0	0	0	109.2	E209 L210 H211 L212 E213 Q237 N257 D259	E209-Y235 HydrophobicContact CG-CD2 4.5Å; E209-Y235 HydrophobicContact CG-CE2 3.86Å; L210-Y235 PolarHBondContact O-N 3.04Å; H211-Y235 AromaticContact CD2-CD2 3.86Å; H211-Y235 AromaticContact CE1-CD2 3.22Å; H211-Y235 WeakPolarHBondContact CE1-CD2 3.4Å; H211-Y235 AromaticContact CE1-CE2 3.31Å; H211-Y235 WeakPolarHBondContact CE1-CE2 3.46Å; H211-Y235 AromaticContact CE1-CG 3.98Å; H211-Y235 AromaticContact CG-CD2 3.77Å; H211-Y235 AromaticContact ND1-CD2 3.39Å; H211-Y235 WeakPolarHBondContact ND1-CD2 3.49Å; H211-Y235 AromaticContact ND1-CE2 3.97Å; H211-Y235 AromaticContact ND1-CG 3.88Å; H211-Y235 AromaticContact NE2-CD2 3.52Å; H211-Y235 AromaticContact NE2-CE2 3.42Å; H211-Y235 WeakPolarHBondContact NE2-CE2 3.23Å; L212-Y235 CarbonylContact C-O 3.57Å; L212-Y235 VanDerWaalsContact C-O 3.31Å; L212-Y235 VanDerWaalsContact CA-O 3.32Å; L212-Y235 WeakPolarHBondContact CA-O 3.26Å; L212-Y235 WeakPolarHBondContact CB-O 3.4Å; L212-Y235 PolarHBondContact N-O 3.11Å; E213-Y235 PolarHBondContact N-O 3.39Å; Y235-Q237 VanDerWaalsContact CB-OE1 3.27Å; Y235-N257 WeakPolarHBondContact CE1-ND2 3.33Å; Y235-N257 PolarHBondContact OH-ND2 2.8Å; Y235-D259 HydrophobicContact CD1-CB 4.01Å
236	L	98.6	Very high	94.8	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	25%	0.25	C	C	.	.			trans	-124.3	10	-175.4	-75	163.6	0	0	0	112.3	L212 F217 I220 I234 N239 I241 L258 D259 L260 N263	L212-L236 HydrophobicContact CB-CD2 3.79Å; L212-L236 HydrophobicContact CD1-CD2 4.12Å; F217-L236 HydrophobicContact CD2-CD2 4.27Å; I220-L236 HydrophobicContact CD1-CD1 4.49Å; I220-L236 HydrophobicContact CD1-CD2 3.97Å; I220-L236 HydrophobicContact CG1-CD1 4.27Å; I220-L236 HydrophobicContact CG1-CD2 4.39Å; I220-L236 HydrophobicContact CG2-CD1 4.38Å; I234-L236 HydrophobicContact CD1-CD1 4.09Å; I234-L236 HydrophobicContact CD1-CG 4.44Å; I234-L236 HydrophobicContact CG1-CD1 4.3Å; I234-L236 HydrophobicContact CG1-CG 4.27Å; L236-N239 PolarHBondContact O-ND2 3.39Å; L236-I241 HydrophobicContact CB-CD1 4.1Å; L236-L258 HydrophobicContact CD1-CD1 4.33Å; L236-D259 CarbonylContact C-O 3.41Å; L236-D259 WeakPolarHBondContact CA-O 3.49Å; L236-D259 WeakPolarHBondContact CB-O 3.37Å; L236-D259 PolarHBondContact N-O 3Å; L236-L260 HydrophobicContact CB-CD2 3.91Å; L236-L260 HydrophobicContact CD1-CD2 4.04Å; L236-N263 PolarHBondContact O-ND2 2.76Å; L236-N263 VanDerWaalsContact O-ND2 3.08Å
237	Q	98.6	Very high	95.1	Very high	29 Å²	29	57 Å²	57	14%	0.136	26%	0.256	C	S	.	.			trans	-62.9	157.5	-177.3	67.4	-78.7	12.1	0	0	113.9	E213 H214 Y235 N239 D259 S261	E213-Q237 CarbonylContact C-O 3.48Å; E213-Q237 WeakPolarHBondContact CA-O 3.44Å; E213-Q237 VanDerWaalsContact CB-CD 3.46Å; E213-Q237 HydrophobicContact CB-CG 3.82Å; E213-Q237 VanDerWaalsContact CB-O 3.26Å; E213-Q237 WeakPolarHBondContact CB-O 3.2Å; H214-Q237 PolarHBondContact N-O 3.19Å; Y235-Q237 VanDerWaalsContact CB-OE1 3.27Å; Q237-N239 PolarHBondContact O-N 3.02Å; Q237-N239 PolarHBondContact O-ND2 2.94Å; Q237-D259 PolarHBondContact N-O 3.04Å; Q237-S261 CarbonylContact C-O 3.51Å; Q237-S261 WeakPolarHBondContact CA-O 3.29Å; Q237-S261 WeakPolarHBondContact CB-O 3.03Å; Q237-S261 VanDerWaalsContact CB-OG 3.22Å; Q237-S261 WeakPolarHBondContact CB-OG 3.3Å
238	W	98.5	Very high	94.8	Very high	136 Å²	136	55.2 Å²	55.2	52%	0.515	26%	0.256	S	S	.	.	S	Bend	trans	54.6	37	179.4	-57.4	108.7	0	0	0	114	H214 S261 G262	H214-W238 WeakPolarHBondContact CA-O 3.45Å; H214-W238 AromaticContact CD2-CD1 3.92Å; H214-W238 VanDerWaalsContact CE1-CB 3.44Å; H214-W238 WeakPolarHBondContact CE1-CB 3.44Å; H214-W238 AromaticContact CE1-CD1 3.51Å; H214-W238 AromaticContact CE1-CG 3.45Å; H214-W238 VanDerWaalsContact CE1-CG 3.45Å; H214-W238 WeakPolarHBondContact ND1-CB 3.33Å; H214-W238 AromaticContact NE2-CD1 3.17Å; H214-W238 AromaticContact NE2-CG 3.55Å; W238-S261 PolarHBondContact N-O 2.94Å; W238-G262 VanDerWaalsContact CA-O 3.26Å; W238-G262 WeakPolarHBondContact CA-O 3.13Å; W238-G262 PolarHBondContact N-O 3.02Å
239	N	98.7	Very high	94.3	Very high	11 Å²	11	61.7 Å²	61.7	6%	0.059	30%	0.296	C	S	.	.	S	Bend	trans	-97.1	-152.4	169.2	-88.2	-83.8	0	0	0	109.6	L212 N215 Q216 F217 L236 Q237 I241 N263	L212-N239 PolarHBondContact O-ND2 3.34Å; N215-N239 VanDerWaalsContact CA-OD1 3.24Å; N215-N239 WeakPolarHBondContact CA-OD1 3.27Å; N215-N239 WeakPolarHBondContact CB-OD1 3.34Å; N215-N239 PolarHBondContact N-OD1 2.95Å; N215-N239 PolarHBondContact O-OD1 3.38Å; Q216-N239 PolarHBondContact N-OD1 3.27Å; F217-N239 HydrophobicContact CB-CB 4.37Å; F217-N239 WeakPolarHBondContact CD2-OD1 3.5Å; F217-N239 PolarHBondContact N-OD1 2.92Å; F217-N239 VanDerWaalsContact N-OD1 3.07Å; L236-N239 PolarHBondContact O-ND2 3.39Å; Q237-N239 PolarHBondContact O-N 3.02Å; Q237-N239 PolarHBondContact O-ND2 2.94Å; N239-I241 HydrophobicContact CB-CD1 4.01Å; N239-I241 HydrophobicContact CB-CG1 3.92Å; N239-N263 VanDerWaalsContact CA-OD1 3.3Å; N239-N263 WeakPolarHBondContact CA-OD1 3.37Å; N239-N263 WeakPolarHBondContact CB-OD1 3.22Å; N239-N263 PolarHBondContact N-OD1 2.84Å
240	R	97.8	Very high	94.2	Very high	156 Å²	156	58 Å²	58	59%	0.589	28%	0.278	S	S	*	.			trans	-130.6	31.4	176.6	-58.8	-177	-178.1	-167.6	-4.5	110.8	F217 S218 R242 N263	F217-R240 CarbonylContact O-C 3.53Å; F217-R240 WeakPolarHBondContact O-CA 3.45Å; F217-R240 PolarHBondContact O-N 2.79Å; S218-R240 WeakPolarHBondContact CA-O 3.43Å; R240-R242 PolarHBondContact O-N 3.37Å; R240-N263 PolarHBondContact N-OD1 3.48Å
241	I	98.3	Very high	94	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	28%	0.284	C	S	.	.			trans	-69.7	116.8	-169.7	-59.8	163.8	0	0	0	108.1	F217 I220 L236 N239 S243 I244 L260 N263 D264 I265	F217-I241 HydrophobicContact CB-CG1 4.11Å; F217-I241 WeakPolarHBondContact O-CG1 3.16Å; F217-I241 PolarHBondContact O-N 3Å; F217-I241 VanDerWaalsContact O-N 3.1Å; I220-I241 HydrophobicContact CD1-CD1 4.45Å; I220-I241 HydrophobicContact CG1-CD1 3.58Å; I220-I241 HydrophobicContact CG1-CG1 4Å; I220-I241 HydrophobicContact CG1-CG2 4.35Å; L236-I241 HydrophobicContact CB-CD1 4.1Å; N239-I241 HydrophobicContact CB-CD1 4.01Å; N239-I241 HydrophobicContact CB-CG1 3.92Å; I241-S243 WeakPolarHBondContact CG2-O 3.4Å; I241-I244 HydrophobicContact CG2-CG2 3.88Å; I241-L260 HydrophobicContact CD1-CD2 4.07Å; I241-N263 HydrophobicContact CB-CB 4.28Å; I241-N263 VanDerWaalsContact CB-OD1 3.32Å; I241-N263 WeakPolarHBondContact CB-OD1 3.22Å; I241-N263 VanDerWaalsContact CG1-OD1 3.3Å; I241-N263 WeakPolarHBondContact CG1-OD1 3.4Å; I241-N263 PolarHBondContact N-OD1 3.31Å; I241-D264 CarbonylContact O-C 3.18Å; I241-D264 WeakPolarHBondContact O-CA 3.46Å; I241-D264 PolarHBondContact O-N 2.8Å; I241-I265 HydrophobicContact CB-CG1 4.39Å; I241-I265 HydrophobicContact CG2-CD1 4.39Å; I241-I265 HydrophobicContact CG2-CG1 4.15Å; I241-I265 WeakPolarHBondContact O-CG1 3.44Å; I241-I265 PolarHBondContact O-N 2.93Å
242	R	97.2	Very high	93.7	Very high	158 Å²	158	58.7 Å²	58.7	60%	0.596	29%	0.285	S	S	*	.			trans	-96.3	-22.3	176	-70.1	176.6	-175.6	-168	-0.6	113.2	S218 R240 D264	S218-R242 PolarHBondContact O-N 3.33Å; R240-R242 PolarHBondContact O-N 3.37Å; R242-D264 HydrophobicContact CG-CB 3.53Å; R242-D264 IonicContact NE-OD2 3.66Å
243	S	94.8	Very high	93.5	Very high	45 Å²	45	55.5 Å²	55.5	32%	0.315	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	132	-172.6	160.1	0	0	0	0	110	K219 I220 I241	K219-S243 WeakPolarHBondContact CA-O 3.26Å; I220-S243 PolarHBondContact N-O 3.15Å; I241-S243 WeakPolarHBondContact CG2-O 3.4Å
244	I	95.3	Very high	93.4	Very high	3 Å²	3	55.7 Å²	55.7	2%	0.015	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	148.5	168.9	53.2	170.4	0	0	0	108.4	I220 I241 L260 I265 I268 T272 F273	I220-I244 HydrophobicContact CB-CG2 4.43Å; I220-I244 WeakPolarHBondContact O-CA 3.34Å; I241-I244 HydrophobicContact CG2-CG2 3.88Å; I244-L260 HydrophobicContact CD1-CD1 4.33Å; I244-L260 HydrophobicContact CG2-CD1 4.37Å; I244-L260 HydrophobicContact CG2-CD2 4.37Å; I244-I265 HydrophobicContact CG2-CD1 4.1Å; I244-I268 HydrophobicContact CD1-CD1 4.24Å; I244-I268 HydrophobicContact CD1-CG1 4.14Å; I244-I268 HydrophobicContact CD1-CG2 4.1Å; I244-T272 HydrophobicContact CB-CG2 4.29Å; I244-T272 HydrophobicContact CD1-CG2 4.02Å; I244-T272 HydrophobicContact CG1-CG2 4.03Å; I244-F273 HydrophobicContact CD1-CE2 3.75Å; I244-F273 HydrophobicContact CD1-CZ 4Å
245	S	92.8	Very high	93.4	Very high	21 Å²	21	55.7 Å²	55.7	15%	0.147	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	147.2	-176.8	55.2	0	0	0	0	110.8	I220 N221 F222	I220-S245 PolarHBondContact O-N 2.91Å; I220-S245 PolarHBondContact O-OG 3.36Å; I220-S245 VanDerWaalsContact O-OG 3.12Å; N221-S245 CarbonylContact C-O 3.59Å; N221-S245 WeakPolarHBondContact CA-O 3.06Å; N221-S245 PolarHBondContact ND2-OG 3.35Å; N221-S245 VanDerWaalsContact ND2-OG 3.08Å; F222-S245 PolarHBondContact N-O 2.93Å
246	Q	88.3	Confident	93.3	Very high	48 Å²	48	56.4 Å²	56.4	22%	0.224	29%	0.29	C	S	.	.			trans	-76.3	-31.4	174.9	68.8	173	5.1	0	0	112.9	A223 C275	A223-Q246 PolarHBondContact N-O 2.87Å; Q246-C275 HydrophobicContact CB-CB 4.48Å
247	G	83.1	Confident	93.3	Very high	43 Å²	43	57.8 Å²	57.8	44%	0.443	30%	0.297	S	S	.	.			trans	80.9	-108.1	-172.1	0	0	0	0	0	112.2	N221	N221-G247 WeakPolarHBondContact ND2-CA 3.35Å
248	L	78.3	Confident	93.3	Very high	102 Å²	102	56.4 Å²	56.4	53%	0.534	29%	0.29	S	S	.	.	S	Bend	trans	-80.2	168.7	178	-62.4	169.9	0	0	0	110.8	W250	L248-W250 PolarHBondContact O-N 3.05Å
249	T	82.7	Confident	93.3	Very high	139 Å²	139	51 Å²	51	85%	0.853	27%	0.272	S	S	*	.	S	Bend	trans	-78.3	114.2	168.1	-51.7	0	0	0	0	109.7
250	W	87.6	Confident	93.3	Very high	50 Å²	50	50.5 Å²	50.5	19%	0.189	27%	0.269	C	S	.	.			trans	-160.6	172.9	178.3	73.8	-58.9	0	0	0	110.8	F222 L248 W252 C275	F222-W250 HydrophobicContact CB-CZ2 4.01Å; F222-W250 WeakPolarHBondContact O-CZ2 3.3Å; L248-W250 PolarHBondContact O-N 3.05Å; W250-W252 HydrophobicContact CE3-CB 4.4Å; W250-W252 HydrophobicContact CH2-CB 3.69Å; W250-W252 AromaticContact CH2-CD2 3.54Å; W250-W252 HydrophobicContact CH2-CD2 3.54Å; W250-W252 AromaticContact CH2-CE3 3.6Å; W250-W252 HydrophobicContact CH2-CE3 3.6Å; W250-W252 AromaticContact CH2-CG 3.62Å; W250-W252 HydrophobicContact CH2-CG 3.62Å; W250-W252 HydrophobicContact CH2-CZ3 4.38Å; W250-W252 HydrophobicContact CZ2-CB 4.22Å; W250-W252 HydrophobicContact CZ2-CD2 4.25Å; W250-W252 AromaticContact CZ2-CE3 3.86Å; W250-W252 HydrophobicContact CZ2-CE3 3.86Å; W250-W252 HydrophobicContact CZ2-CG 4.45Å; W250-W252 HydrophobicContact CZ3-CB 3.78Å; W250-W252 HydrophobicContact CZ3-CD2 4.28Å; W250-W252 AromaticContact CZ3-CG 3.9Å; W250-W252 HydrophobicContact CZ3-CG 3.9Å; W250-C275 WeakPolarHBondContact O-CA 3.22Å; W250-C275 WeakPolarHBondContact O-CB 3.44Å
251	T	91.3	Very high	93.3	Very high	88 Å²	88	43.7 Å²	43.7	54%	0.54	25%	0.245	S	C	.	.			trans	-129.5	129.5	-179.3	-44.3	0	0	0	0	110.9	P277	T251-P277 HydrophobicContact CG2-CG 3.58Å
252	W	92.6	Very high	93.3	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.015	25%	0.25	C	S	.	.			trans	-110	65.4	179.6	-163.8	-3.2	0	0	0	110.6	F222 F225 L228 L231 I234 W250 S254 L255 C275 L276	F222-W252 HydrophobicContact CD1-CZ3 4.43Å; F225-W252 HydrophobicContact CB-CH2 3.38Å; F225-W252 HydrophobicContact CB-CZ2 3.77Å; F225-W252 HydrophobicContact CB-CZ3 3.86Å; F225-W252 HydrophobicContact CD1-CH2 4.36Å; F225-W252 AromaticContact CD2-CH2 3.69Å; F225-W252 HydrophobicContact CD2-CH2 3.69Å; F225-W252 AromaticContact CD2-CZ3 3.77Å; F225-W252 HydrophobicContact CD2-CZ3 3.77Å; F225-W252 AromaticContact CG-CH2 3.56Å; F225-W252 HydrophobicContact CG-CH2 3.56Å; F225-W252 HydrophobicContact CG-CZ2 4.34Å; F225-W252 HydrophobicContact CG-CZ3 4.07Å; L228-W252 HydrophobicContact CB-CZ2 4.21Å; L228-W252 PolarHBondContact O-NE1 3.32Å; L231-W252 HydrophobicContact CB-CZ2 4.05Å; L231-W252 HydrophobicContact CD2-CH2 3.99Å; L231-W252 HydrophobicContact CD2-CZ2 3.55Å; L231-W252 HydrophobicContact CG-CZ2 4.38Å; I234-W252 HydrophobicContact CD1-CH2 4.47Å; W250-W252 HydrophobicContact CE3-CB 4.4Å; W250-W252 HydrophobicContact CH2-CB 3.69Å; W250-W252 AromaticContact CH2-CD2 3.54Å; W250-W252 HydrophobicContact CH2-CD2 3.54Å; W250-W252 AromaticContact CH2-CE3 3.6Å; W250-W252 HydrophobicContact CH2-CE3 3.6Å; W250-W252 AromaticContact CH2-CG 3.62Å; W250-W252 HydrophobicContact CH2-CG 3.62Å; W250-W252 HydrophobicContact CH2-CZ3 4.38Å; W250-W252 HydrophobicContact CZ2-CB 4.22Å; W250-W252 HydrophobicContact CZ2-CD2 4.25Å; W250-W252 AromaticContact CZ2-CE3 3.86Å; W250-W252 HydrophobicContact CZ2-CE3 3.86Å; W250-W252 HydrophobicContact CZ2-CG 4.45Å; W250-W252 HydrophobicContact CZ3-CB 3.78Å; W250-W252 HydrophobicContact CZ3-CD2 4.28Å; W250-W252 AromaticContact CZ3-CG 3.9Å; W250-W252 HydrophobicContact CZ3-CG 3.9Å; W252-S254 PolarHBondContact O-N 2.93Å; W252-L255 HydrophobicContact CD2-CB 4.13Å; W252-L255 HydrophobicContact CD2-CD2 4.46Å; W252-L255 HydrophobicContact CE3-CD2 4.14Å; W252-L255 HydrophobicContact CG-CB 4.24Å; W252-L255 HydrophobicContact CH2-CD1 4.46Å; W252-L255 HydrophobicContact CH2-CD2 4.49Å; W252-L255 HydrophobicContact CZ2-CD1 4.26Å; W252-L255 HydrophobicContact CZ3-CD2 4.14Å; W252-L255 PolarHBondContact O-N 2.93Å; W252-C275 PolarHBondContact N-O 2.83Å; W252-L276 HydrophobicContact CB-CD2 3.93Å; W252-L276 HydrophobicContact CD2-CD2 4.35Å; W252-L276 HydrophobicContact CE3-CD2 3.8Å; W252-L276 HydrophobicContact CG-CD2 4.45Å
253	S	93.7	Very high	93.4	Very high	66 Å²	66	37 Å²	37	46%	0.462	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-0.9	-171.6	-42.4	0	0	0	0	116	N278	S253-N278 PolarHBondContact O-ND2 3.45Å
254	S	96.3	Very high	93.6	Very high	23 Å²	23	36.3 Å²	36.3	16%	0.161	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-12.9	-179	41.4	0	0	0	0	114.9	F229 L231 R232 W252 H256	F229-S254 VanDerWaalsContact C-OG 3.27Å; F229-S254 WeakPolarHBondContact O-CB 3.21Å; F229-S254 PolarHBondContact O-OG 3.08Å; L231-S254 CarbonylContact O-C 3.56Å; R232-S254 WeakPolarHBondContact CA-O 3.44Å; W252-S254 PolarHBondContact O-N 2.93Å; S254-H256 PolarHBondContact O-CE1 3.21Å; S254-H256 PolarHBondContact O-N 3.23Å; S254-H256 PolarHBondContact O-ND1 3.2Å
255	L	97.3	Very high	93.7	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	22%	0.216	C	C	.	.			trans	-79.4	123	-179.7	-165.5	73.5	0	0	0	110.9	L231 I234 W252 L258 L276 N278 L279	L231-L255 HydrophobicContact CD2-CD1 4.16Å; L231-L255 HydrophobicContact CG-CD1 4.41Å; L231-L255 VanDerWaalsContact O-CA 3.32Å; L231-L255 WeakPolarHBondContact O-CA 3.48Å; L231-L255 PolarHBondContact O-N 2.89Å; I234-L255 HydrophobicContact CB-CD1 4.3Å; I234-L255 HydrophobicContact CG2-CD1 3.95Å; I234-L255 HydrophobicContact CG2-CD2 4.2Å; W252-L255 HydrophobicContact CD2-CB 4.13Å; W252-L255 HydrophobicContact CD2-CD2 4.46Å; W252-L255 HydrophobicContact CE3-CD2 4.14Å; W252-L255 HydrophobicContact CG-CB 4.24Å; W252-L255 HydrophobicContact CH2-CD1 4.46Å; W252-L255 HydrophobicContact CH2-CD2 4.49Å; W252-L255 HydrophobicContact CZ2-CD1 4.26Å; W252-L255 HydrophobicContact CZ3-CD2 4.14Å; W252-L255 PolarHBondContact O-N 2.93Å; L255-L258 HydrophobicContact CD2-CB 4.44Å; L255-L276 HydrophobicContact CD2-CD1 4.25Å; L255-L276 HydrophobicContact CD2-CD2 3.97Å; L255-N278 CarbonylContact O-C 3.52Å; L255-L279 HydrophobicContact CD2-CD1 4.34Å; L255-L279 HydrophobicContact CG-CD1 4.37Å; L255-L279 WeakPolarHBondContact O-CA 3.31Å; L255-L279 PolarHBondContact O-N 3.41Å
256	H	98	Very high	93.8	Very high	61 Å²	61	41 Å²	41	28%	0.282	24%	0.236	S	C	.	.			trans	-113.7	-29.8	-178	-66.5	64.9	0	0	0	112.4	R232 S254 Q280 K281	R232-H256 PolarHBondContact O-N 3.07Å; S254-H256 PolarHBondContact O-CE1 3.21Å; S254-H256 PolarHBondContact O-N 3.23Å; S254-H256 PolarHBondContact O-ND1 3.2Å; H256-Q280 CarbonylContact O-C 3.54Å; H256-Q280 WeakPolarHBondContact O-CA 3.16Å; H256-Q280 WeakPolarHBondContact O-CB 3.48Å; H256-Q280 PolarHBondContact O-N 3Å; H256-K281 PolarHBondContact O-N 3.17Å
257	N	98.6	Very high	94	Very high	29 Å²	29	40.4 Å²	40.4	16%	0.155	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	126.7	-176.3	-176	39.6	0	0	0	111.1	R232 S233 I234 Y235 K281	R232-N257 PolarHBondContact O-N 2.65Å; S233-N257 WeakPolarHBondContact CA-O 3.33Å; I234-N257 PolarHBondContact N-O 2.82Å; Y235-N257 WeakPolarHBondContact CE1-ND2 3.33Å; Y235-N257 PolarHBondContact OH-ND2 2.8Å; N257-K281 HydrophobicContact CB-CB 4.33Å; N257-K281 VanDerWaalsContact OD1-CB 3.26Å; N257-K281 WeakPolarHBondContact OD1-CB 3.45Å
258	L	98.6	Very high	94.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	112.3	178.8	171.8	57.6	0	0	0	109	F222 I234 L236 L255 L260 F273 L276 L279 K281 L282 N283	F222-L258 HydrophobicContact CZ-CD2 4.13Å; I234-L258 HydrophobicContact CG2-CB 4.49Å; I234-L258 HydrophobicContact CG2-CD1 3.51Å; L236-L258 HydrophobicContact CD1-CD1 4.33Å; L255-L258 HydrophobicContact CD2-CB 4.44Å; L258-L260 HydrophobicContact CD1-CD1 4.12Å; L258-L260 HydrophobicContact CD1-CD2 4.32Å; L258-L260 HydrophobicContact CD1-CG 3.87Å; L258-L260 HydrophobicContact CD2-CD1 3.98Å; L258-L260 HydrophobicContact CG-CD1 3.99Å; L258-L260 HydrophobicContact CG-CG 4.09Å; L258-F273 HydrophobicContact CD2-CE1 3.95Å; L258-L276 HydrophobicContact CD2-CD1 3.94Å; L258-L279 HydrophobicContact CB-CD1 3.74Å; L258-L279 HydrophobicContact CB-CD2 4.4Å; L258-L279 HydrophobicContact CD2-CD2 4.36Å; L258-K281 PolarHBondContact N-O 3.48Å; L258-L282 HydrophobicContact CB-CD1 4.42Å; L258-L282 HydrophobicContact CD2-CD1 4.1Å; L258-L282 HydrophobicContact CG-CD1 4.13Å; L258-L282 WeakPolarHBondContact O-CA 3.26Å; L258-N283 PolarHBondContact O-N 3.36Å; L258-N283 VanDerWaalsContact O-N 3.08Å
259	D	98.7	Very high	95.4	Very high	24 Å²	24	40.3 Å²	40.3	13%	0.128	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	118.7	173	-160.7	-33.5	0	0	0	110.8	I234 Y235 L236 Q237 S261 N283	I234-D259 PolarHBondContact O-N 3.11Å; I234-D259 VanDerWaalsContact O-N 3.13Å; Y235-D259 HydrophobicContact CD1-CB 4.01Å; L236-D259 CarbonylContact C-O 3.41Å; L236-D259 WeakPolarHBondContact CA-O 3.49Å; L236-D259 WeakPolarHBondContact CB-O 3.37Å; L236-D259 PolarHBondContact N-O 3Å; Q237-D259 PolarHBondContact N-O 3.04Å; D259-S261 WeakPolarHBondContact OD1-CB 3.26Å; D259-S261 PolarHBondContact OD1-N 2.94Å; D259-S261 PolarHBondContact OD1-OG 3.44Å; D259-N283 HydrophobicContact CB-CB 4.32Å; D259-N283 VanDerWaalsContact CG-ND2 3.3Å; D259-N283 PolarHBondContact OD1-ND2 3.5Å; D259-N283 VanDerWaalsContact OD1-ND2 3.1Å; D259-N283 PolarHBondContact OD2-ND2 2.9Å
260	L	98.4	Very high	95.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.213	C	C	.	.			trans	-120.1	13.8	178.1	-73.5	167	0	0	0	111.9	L236 I241 I244 L258 N263 I265 N283 L284 N287	L236-L260 HydrophobicContact CB-CD2 3.91Å; L236-L260 HydrophobicContact CD1-CD2 4.04Å; I241-L260 HydrophobicContact CD1-CD2 4.07Å; I244-L260 HydrophobicContact CD1-CD1 4.33Å; I244-L260 HydrophobicContact CG2-CD1 4.37Å; I244-L260 HydrophobicContact CG2-CD2 4.37Å; L258-L260 HydrophobicContact CD1-CD1 4.12Å; L258-L260 HydrophobicContact CD1-CD2 4.32Å; L258-L260 HydrophobicContact CD1-CG 3.87Å; L258-L260 HydrophobicContact CD2-CD1 3.98Å; L258-L260 HydrophobicContact CG-CD1 3.99Å; L258-L260 HydrophobicContact CG-CG 4.09Å; L260-N263 WeakPolarHBondContact O-CB 3.1Å; L260-N263 PolarHBondContact O-ND2 3.3Å; L260-I265 HydrophobicContact CB-CD1 4.19Å; L260-I265 HydrophobicContact CD1-CD1 4.34Å; L260-I265 HydrophobicContact CD2-CD1 4.43Å; L260-N283 PolarHBondContact N-O 2.93Å; L260-L284 HydrophobicContact CB-CD2 4.02Å; L260-L284 HydrophobicContact CD1-CD2 4.07Å; L260-N287 PolarHBondContact O-ND2 3.06Å
261	S	98.3	Very high	95.9	Very high	12 Å²	12	35.3 Å²	35.3	8%	0.084	21%	0.205	C	C	.	.			trans	-63.2	157.6	-174.5	55.6	0	0	0	0	114.4	Q237 W238 D259 N263 N283 D285	Q237-S261 CarbonylContact C-O 3.51Å; Q237-S261 WeakPolarHBondContact CA-O 3.29Å; Q237-S261 WeakPolarHBondContact CB-O 3.03Å; Q237-S261 VanDerWaalsContact CB-OG 3.22Å; Q237-S261 WeakPolarHBondContact CB-OG 3.3Å; W238-S261 PolarHBondContact N-O 2.94Å; D259-S261 WeakPolarHBondContact OD1-CB 3.26Å; D259-S261 PolarHBondContact OD1-N 2.94Å; D259-S261 PolarHBondContact OD1-OG 3.44Å; S261-N263 PolarHBondContact O-N 3.03Å; S261-N263 PolarHBondContact O-ND2 3.13Å; S261-N263 VanDerWaalsContact O-ND2 3.11Å; S261-N283 WeakPolarHBondContact CB-ND2 3.29Å; S261-N283 WeakPolarHBondContact CB-OD1 3.15Å; S261-N283 PolarHBondContact OG-ND2 2.77Å; S261-D285 CarbonylContact C-O 3.45Å; S261-D285 WeakPolarHBondContact CA-O 3.39Å; S261-D285 WeakPolarHBondContact CB-O 3.1Å
262	G	98.1	Very high	96	Very high	10 Å²	10	31.2 Å²	31.2	10%	0.103	18%	0.18	C	C	.	.	S	Bend	trans	63.5	40.4	175.5	0	0	0	0	0	113.4	W238 D285 S286	W238-G262 VanDerWaalsContact CA-O 3.26Å; W238-G262 WeakPolarHBondContact CA-O 3.13Å; W238-G262 PolarHBondContact N-O 3.02Å; G262-D285 PolarHBondContact N-O 2.98Å; G262-S286 CarbonylContact C-O 3.12Å; G262-S286 WeakPolarHBondContact CA-O 3.3Å; G262-S286 PolarHBondContact N-O 3.42Å
263	N	98.7	Very high	96.1	Very high	7 Å²	7	31.1 Å²	31.1	4%	0.037	18%	0.18	C	C	.	.	S	Bend	trans	-121.1	-179.3	-177.8	-88	-77.5	0	0	0	111.5	L236 N239 R240 I241 L260 S261 I265 S286 N287	L236-N263 PolarHBondContact O-ND2 2.76Å; L236-N263 VanDerWaalsContact O-ND2 3.08Å; N239-N263 VanDerWaalsContact CA-OD1 3.3Å; N239-N263 WeakPolarHBondContact CA-OD1 3.37Å; N239-N263 WeakPolarHBondContact CB-OD1 3.22Å; N239-N263 PolarHBondContact N-OD1 2.84Å; R240-N263 PolarHBondContact N-OD1 3.48Å; I241-N263 HydrophobicContact CB-CB 4.28Å; I241-N263 VanDerWaalsContact CB-OD1 3.32Å; I241-N263 WeakPolarHBondContact CB-OD1 3.22Å; I241-N263 VanDerWaalsContact CG1-OD1 3.3Å; I241-N263 WeakPolarHBondContact CG1-OD1 3.4Å; I241-N263 PolarHBondContact N-OD1 3.31Å; L260-N263 WeakPolarHBondContact O-CB 3.1Å; L260-N263 PolarHBondContact O-ND2 3.3Å; S261-N263 PolarHBondContact O-N 3.03Å; S261-N263 PolarHBondContact O-ND2 3.13Å; S261-N263 VanDerWaalsContact O-ND2 3.11Å; N263-I265 HydrophobicContact CB-CD1 4.49Å; N263-I265 HydrophobicContact CB-CG1 4.18Å; N263-S286 PolarHBondContact N-O 2.87Å; N263-N287 VanDerWaalsContact C-OD1 3.25Å; N263-N287 WeakPolarHBondContact CA-OD1 3.33Å; N263-N287 WeakPolarHBondContact CB-OD1 3.46Å; N263-N287 PolarHBondContact O-OD1 2.83Å
264	D	98.1	Very high	96.1	Very high	32 Å²	32	34.3 Å²	34.3	17%	0.171	19%	0.186	C	C	.	.			trans	-98.7	20.8	-178.9	-79.5	-46	0	0	0	112.6	I241 R242 Q266 K288	I241-D264 CarbonylContact O-C 3.18Å; I241-D264 WeakPolarHBondContact O-CA 3.46Å; I241-D264 PolarHBondContact O-N 2.8Å; R242-D264 HydrophobicContact CG-CB 3.53Å; R242-D264 IonicContact NE-OD2 3.66Å; D264-Q266 PolarHBondContact O-N 3.05Å; D264-Q266 VanDerWaalsContact O-N 3.14Å; D264-K288 IonicContact OD1-NZ 2.73Å; D264-K288 PolarHBondContact OD1-NZ 3.36Å
265	I	98.1	Very high	96	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.178	C	C	.	.			trans	-70.1	115.1	-169.7	-54.1	173.2	0	0	0	109.5	I241 I244 L260 N263 G267 I268 N287 K288 L289	I241-I265 HydrophobicContact CB-CG1 4.39Å; I241-I265 HydrophobicContact CG2-CD1 4.39Å; I241-I265 HydrophobicContact CG2-CG1 4.15Å; I241-I265 WeakPolarHBondContact O-CG1 3.44Å; I241-I265 PolarHBondContact O-N 2.93Å; I244-I265 HydrophobicContact CG2-CD1 4.1Å; L260-I265 HydrophobicContact CB-CD1 4.19Å; L260-I265 HydrophobicContact CD1-CD1 4.34Å; L260-I265 HydrophobicContact CD2-CD1 4.43Å; N263-I265 HydrophobicContact CB-CD1 4.49Å; N263-I265 HydrophobicContact CB-CG1 4.18Å; I265-G267 WeakPolarHBondContact CG2-O 3.33Å; I265-I268 HydrophobicContact CG2-CG1 4.44Å; I265-N287 VanDerWaalsContact CB-OD1 3.29Å; I265-N287 WeakPolarHBondContact CB-OD1 3.46Å; I265-N287 VanDerWaalsContact CG1-OD1 3.26Å; I265-N287 WeakPolarHBondContact CG1-OD1 3.34Å; I265-N287 PolarHBondContact N-OD1 3.33Å; I265-N287 VanDerWaalsContact N-OD1 3.15Å; I265-K288 CarbonylContact O-C 3.09Å; I265-K288 VanDerWaalsContact O-CA 3.26Å; I265-K288 WeakPolarHBondContact O-CA 3.35Å; I265-K288 PolarHBondContact O-N 2.84Å; I265-L289 HydrophobicContact CB-CD2 4.4Å; I265-L289 HydrophobicContact CG2-CD2 3.77Å; I265-L289 PolarHBondContact O-N 2.92Å; I265-L289 VanDerWaalsContact O-N 3.08Å
266	Q	94.5	Very high	95.9	Very high	122 Å²	122	33.3 Å²	33.3	57%	0.57	18%	0.179	S	C	*	.			trans	-89.9	-28	-177.9	-66.1	175.2	1.9	0	0	113.2	D264 K288	D264-Q266 PolarHBondContact O-N 3.05Å; D264-Q266 VanDerWaalsContact O-N 3.14Å; Q266-K288 WeakPolarHBondContact CA-O 3.29Å; Q266-K288 HydrophobicContact CG-CB 4.07Å
267	G	93.6	Very high	95.7	Very high	36 Å²	36	31.9 Å²	31.9	37%	0.371	18%	0.175	S	C	.	.			trans	-165.9	168.1	-179.8	0	0	0	0	0	111.1	I265	I265-G267 WeakPolarHBondContact CG2-O 3.33Å
268	I	95.9	Very high	95.7	Very high	20 Å²	20	33.7 Å²	33.7	10%	0.103	18%	0.184	C	C	.	.			trans	-122.2	125.9	-176	-57.7	-175.1	0	0	0	108.2	I244 I265 F273 L284 L289 I292 T296	I244-I268 HydrophobicContact CD1-CD1 4.24Å; I244-I268 HydrophobicContact CD1-CG1 4.14Å; I244-I268 HydrophobicContact CD1-CG2 4.1Å; I265-I268 HydrophobicContact CG2-CG1 4.44Å; I268-F273 HydrophobicContact CD1-CE2 4Å; I268-F273 HydrophobicContact CG2-CD2 4.06Å; I268-F273 HydrophobicContact CG2-CE2 3.78Å; I268-L284 HydrophobicContact CD1-CD1 4.23Å; I268-L289 HydrophobicContact CD1-CD2 4.16Å; I268-L289 HydrophobicContact CG1-CD2 3.84Å; I268-I292 HydrophobicContact CD1-CD1 3.65Å; I268-I292 HydrophobicContact CG1-CD1 4.25Å; I268-T296 HydrophobicContact CB-CG2 4.42Å; I268-T296 HydrophobicContact CG2-CG2 3.86Å
269	E	93.6	Very high	95.6	Very high	122 Å²	122	34 Å²	34	57%	0.57	19%	0.186	S	C	*	.			trans	-65.7	128.1	178.8	-178.8	-174	179.9	0	0	109.9	G271 T272	E269-G271 PolarHBondContact O-N 2.69Å; E269-G271 VanDerWaalsContact O-N 3.13Å; E269-T272 WeakPolarHBondContact CB-OG1 3.39Å; E269-T272 WeakPolarHBondContact O-CB 3.31Å; E269-T272 PolarHBondContact O-N 3.25Å; E269-T272 PolarHBondContact O-OG1 3.02Å
270	P	91.6	Very high	95.6	Very high	81 Å²	81	36.3 Å²	36.3	53%	0.526	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	117.2	-174.7	-32.6	37.3	0	0	0	113.8	E295	P270-E295 HydrophobicContact CB-CB 4.18Å; P270-E295 HydrophobicContact CB-CG 4.32Å
271	G	89.3	Confident	95.6	Very high	3 Å²	3	41.4 Å²	41.4	3%	0.031	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.4	9.2	-179.7	0	0	0	0	0	116	E269 F273 K274	E269-G271 PolarHBondContact O-N 2.69Å; E269-G271 VanDerWaalsContact O-N 3.13Å; G271-F273 PolarHBondContact O-N 3.04Å; G271-K274 VanDerWaalsContact O-CB 3.26Å; G271-K274 WeakPolarHBondContact O-CB 3.41Å; G271-K274 WeakPolarHBondContact O-CG 3.42Å; G271-K274 PolarHBondContact O-N 2.69Å
272	T	94.1	Very high	95.6	Very high	2 Å²	2	41 Å²	41	1%	0.012	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-48.5	-33.1	170.2	-69.6	0	0	0	0	113.3	F222 I244 E269 C275	F222-T272 HydrophobicContact CD2-CG2 4.33Å; F222-T272 HydrophobicContact CE2-CG2 3.68Å; I244-T272 HydrophobicContact CB-CG2 4.29Å; I244-T272 HydrophobicContact CD1-CG2 4.02Å; I244-T272 HydrophobicContact CG1-CG2 4.03Å; E269-T272 WeakPolarHBondContact CB-OG1 3.39Å; E269-T272 WeakPolarHBondContact O-CB 3.31Å; E269-T272 PolarHBondContact O-N 3.25Å; E269-T272 PolarHBondContact O-OG1 3.02Å; T272-C275 PolarHBondContact O-SG 3.2Å
273	F	95.4	Very high	95.6	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.009	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-86.8	-4.3	179.6	-72.7	-96.4	0	0	0	114.6	I244 L258 I268 G271 C275 L276 L279 L282 T296 A299 W300	I244-F273 HydrophobicContact CD1-CE2 3.75Å; I244-F273 HydrophobicContact CD1-CZ 4Å; L258-F273 HydrophobicContact CD2-CE1 3.95Å; I268-F273 HydrophobicContact CD1-CE2 4Å; I268-F273 HydrophobicContact CG2-CD2 4.06Å; I268-F273 HydrophobicContact CG2-CE2 3.78Å; G271-F273 PolarHBondContact O-N 3.04Å; F273-C275 PolarHBondContact O-N 2.68Å; F273-L276 HydrophobicContact CD1-CD1 3.96Å; F273-L276 HydrophobicContact CE1-CD1 4.32Å; F273-L276 PolarHBondContact O-N 3.04Å; F273-L279 HydrophobicContact CD1-CD2 3.99Å; F273-L279 HydrophobicContact CE1-CD2 4.02Å; F273-L282 HydrophobicContact CD1-CD2 4.31Å; F273-L282 HydrophobicContact CE1-CD1 3.82Å; F273-L282 HydrophobicContact CE1-CD2 3.62Å; F273-L282 HydrophobicContact CE1-CG 4.38Å; F273-L282 HydrophobicContact CZ-CD1 4.1Å; F273-L282 HydrophobicContact CZ-CD2 3.97Å; F273-T296 HydrophobicContact CD2-CG2 4.13Å; F273-A299 HydrophobicContact CB-CB 3.85Å; F273-W300 AromaticContact CD1-NE1 3.59Å; F273-W300 AromaticContact CD2-NE1 3.79Å; F273-W300 AromaticContact CG-NE1 3.47Å
274	K	93.1	Very high	95.5	Very high	133 Å²	133	41.6 Å²	41.6	58%	0.578	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-60.4	-27.7	179.4	-72.9	173.2	179.8	174.1	0	112.8	G271 L276 A299	G271-K274 VanDerWaalsContact O-CB 3.26Å; G271-K274 WeakPolarHBondContact O-CB 3.41Å; G271-K274 WeakPolarHBondContact O-CG 3.42Å; G271-K274 PolarHBondContact O-N 2.69Å; K274-L276 PolarHBondContact O-N 3.45Å; K274-A299 HydrophobicContact CG-CB 4.26Å
275	C	93.3	Very high	95.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-74.6	-6.1	173.8	66.8	0	0	0	0	114.5	Q246 W250 W252 T272 F273 P277	Q246-C275 HydrophobicContact CB-CB 4.48Å; W250-C275 WeakPolarHBondContact O-CA 3.22Å; W250-C275 WeakPolarHBondContact O-CB 3.44Å; W252-C275 PolarHBondContact N-O 2.83Å; T272-C275 PolarHBondContact O-SG 3.2Å; F273-C275 PolarHBondContact O-N 2.68Å; C275-P277 VanDerWaalsContact O-CD 3.27Å; C275-P277 WeakPolarHBondContact O-CD 3.45Å
276	L	95.3	Very high	95.4	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.021	23%	0.234	C	C	.	.			trans	-118.1	53.5	-172.8	-52.2	-176.3	0	0	0	113.4	F222 W252 L255 L258 F273 K274 N278 L279	F222-L276 HydrophobicContact CD2-CD1 4.5Å; F222-L276 HydrophobicContact CE2-CD1 3.95Å; F222-L276 HydrophobicContact CZ-CD1 4.15Å; W252-L276 HydrophobicContact CB-CD2 3.93Å; W252-L276 HydrophobicContact CD2-CD2 4.35Å; W252-L276 HydrophobicContact CE3-CD2 3.8Å; W252-L276 HydrophobicContact CG-CD2 4.45Å; L255-L276 HydrophobicContact CD2-CD1 4.25Å; L255-L276 HydrophobicContact CD2-CD2 3.97Å; L258-L276 HydrophobicContact CD2-CD1 3.94Å; F273-L276 HydrophobicContact CD1-CD1 3.96Å; F273-L276 HydrophobicContact CE1-CD1 4.32Å; F273-L276 PolarHBondContact O-N 3.04Å; K274-L276 PolarHBondContact O-N 3.45Å; L276-N278 PolarHBondContact O-N 3.15Å; L276-N278 VanDerWaalsContact O-N 3.12Å; L276-L279 HydrophobicContact CB-CB 4.19Å; L276-L279 HydrophobicContact CD1-CD2 4.28Å; L276-L279 WeakPolarHBondContact O-CB 3.32Å; L276-L279 PolarHBondContact O-N 3.16Å
277	P	95.1	Very high	95.6	Very high	30 Å²	30	38.8 Å²	38.8	20%	0.195	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-23.7	-168.9	28.1	-37.5	0	0	0	114.7	T251 C275 I301 S302	T251-P277 HydrophobicContact CG2-CG 3.58Å; C275-P277 VanDerWaalsContact O-CD 3.27Å; C275-P277 WeakPolarHBondContact O-CD 3.45Å; P277-I301 HydrophobicContact CB-CD1 4.22Å; P277-I301 WeakPolarHBondContact O-CG1 3.49Å; P277-S302 VanDerWaalsContact O-CB 3.24Å; P277-S302 WeakPolarHBondContact O-CB 3.38Å; P277-S302 PolarHBondContact O-OG 3.28Å
278	N	97.1	Very high	95.8	Very high	67 Å²	67	41.5 Å²	41.5	36%	0.358	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	12.4	-177.1	-66.9	-10.5	0	0	0	113.1	S253 L255 L276 Q280	S253-N278 PolarHBondContact O-ND2 3.45Å; L255-N278 CarbonylContact O-C 3.52Å; L276-N278 PolarHBondContact O-N 3.15Å; L276-N278 VanDerWaalsContact O-N 3.12Å; N278-Q280 PolarHBondContact O-N 3.27Å
279	L	97.9	Very high	95.9	Very high	6 Å²	6	40.6 Å²	40.6	3%	0.031	21%	0.206	C	C	.	.			trans	-64.3	125.5	178.1	-170.5	68.9	0	0	0	110	L255 L258 F273 L276 L282 S302 L303	L255-L279 HydrophobicContact CD2-CD1 4.34Å; L255-L279 HydrophobicContact CG-CD1 4.37Å; L255-L279 WeakPolarHBondContact O-CA 3.31Å; L255-L279 PolarHBondContact O-N 3.41Å; L258-L279 HydrophobicContact CB-CD1 3.74Å; L258-L279 HydrophobicContact CB-CD2 4.4Å; L258-L279 HydrophobicContact CD2-CD2 4.36Å; F273-L279 HydrophobicContact CD1-CD2 3.99Å; F273-L279 HydrophobicContact CE1-CD2 4.02Å; L276-L279 HydrophobicContact CB-CB 4.19Å; L276-L279 HydrophobicContact CD1-CD2 4.28Å; L276-L279 WeakPolarHBondContact O-CB 3.32Å; L276-L279 PolarHBondContact O-N 3.16Å; L279-L282 HydrophobicContact CD2-CB 4.12Å; L279-L282 HydrophobicContact CD2-CD1 4.38Å; L279-L282 HydrophobicContact CD2-CD2 4.4Å; L279-S302 CarbonylContact O-C 3.53Å; L279-S302 WeakPolarHBondContact O-CB 3.49Å; L279-L303 HydrophobicContact CB-CD2 4.44Å; L279-L303 HydrophobicContact CD2-CD2 4.19Å; L279-L303 HydrophobicContact CG-CD2 3.99Å; L279-L303 WeakPolarHBondContact O-CD2 3.27Å; L279-L303 PolarHBondContact O-N 3.34Å
280	Q	98	Very high	96	Very high	74 Å²	74	37.5 Å²	37.5	35%	0.346	20%	0.196	S	C	.	.			trans	-107.3	-33.5	-176.6	-78.4	-178	-3.8	0	0	112.7	H256 N278 I304 S305	H256-Q280 CarbonylContact O-C 3.54Å; H256-Q280 WeakPolarHBondContact O-CA 3.16Å; H256-Q280 WeakPolarHBondContact O-CB 3.48Å; H256-Q280 PolarHBondContact O-N 3Å; N278-Q280 PolarHBondContact O-N 3.27Å; Q280-I304 HydrophobicContact CB-CD1 4.21Å; Q280-I304 HydrophobicContact CB-CG1 4.02Å; Q280-I304 WeakPolarHBondContact O-CG1 3.45Å; Q280-I304 PolarHBondContact O-N 2.86Å; Q280-S305 PolarHBondContact O-N 3.2Å
281	K	98.4	Very high	96.2	Very high	106 Å²	106	36.5 Å²	36.5	46%	0.461	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	125.6	-178.5	-62.5	-171.6	178.8	-173.8	0	110	H256 N257 L258 S305	H256-K281 PolarHBondContact O-N 3.17Å; N257-K281 HydrophobicContact CB-CB 4.33Å; N257-K281 VanDerWaalsContact OD1-CB 3.26Å; N257-K281 WeakPolarHBondContact OD1-CB 3.45Å; L258-K281 PolarHBondContact N-O 3.48Å; K281-S305 WeakPolarHBondContact CA-O 3.4Å
282	L	98.2	Very high	96.5	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.021	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	111.8	178.1	176.3	55.7	0	0	0	109.6	L258 F273 L279 L284 W300 L303 S305 I306 T307	L258-L282 HydrophobicContact CB-CD1 4.42Å; L258-L282 HydrophobicContact CD2-CD1 4.1Å; L258-L282 HydrophobicContact CG-CD1 4.13Å; L258-L282 WeakPolarHBondContact O-CA 3.26Å; F273-L282 HydrophobicContact CD1-CD2 4.31Å; F273-L282 HydrophobicContact CE1-CD1 3.82Å; F273-L282 HydrophobicContact CE1-CD2 3.62Å; F273-L282 HydrophobicContact CE1-CG 4.38Å; F273-L282 HydrophobicContact CZ-CD1 4.1Å; F273-L282 HydrophobicContact CZ-CD2 3.97Å; L279-L282 HydrophobicContact CD2-CB 4.12Å; L279-L282 HydrophobicContact CD2-CD1 4.38Å; L279-L282 HydrophobicContact CD2-CD2 4.4Å; L282-L284 HydrophobicContact CD1-CD1 4.29Å; L282-L284 HydrophobicContact CD1-CD2 4.33Å; L282-L284 HydrophobicContact CD1-CG 3.97Å; L282-L284 HydrophobicContact CD2-CD1 3.92Å; L282-L284 HydrophobicContact CD2-CG 4.47Å; L282-L284 HydrophobicContact CG-CD1 4Å; L282-L284 HydrophobicContact CG-CG 4.01Å; L282-W300 HydrophobicContact CD2-CD2 4.41Å; L282-W300 HydrophobicContact CD2-CZ2 3.79Å; L282-L303 HydrophobicContact CB-CD1 4.13Å; L282-L303 HydrophobicContact CB-CD2 3.77Å; L282-L303 HydrophobicContact CD2-CD1 4.23Å; L282-S305 PolarHBondContact N-O 3.04Å; L282-I306 WeakPolarHBondContact O-CA 3.07Å; L282-T307 PolarHBondContact O-N 2.97Å
283	N	98.1	Very high	96.7	Very high	29 Å²	29	37.8 Å²	37.8	16%	0.155	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	119.2	173.5	-179.2	-0.4	0	0	0	109.5	L258 D259 L260 S261 D285 T307	L258-N283 PolarHBondContact O-N 3.36Å; L258-N283 VanDerWaalsContact O-N 3.08Å; D259-N283 HydrophobicContact CB-CB 4.32Å; D259-N283 VanDerWaalsContact CG-ND2 3.3Å; D259-N283 PolarHBondContact OD1-ND2 3.5Å; D259-N283 VanDerWaalsContact OD1-ND2 3.1Å; D259-N283 PolarHBondContact OD2-ND2 2.9Å; L260-N283 PolarHBondContact N-O 2.93Å; S261-N283 WeakPolarHBondContact CB-ND2 3.29Å; S261-N283 WeakPolarHBondContact CB-OD1 3.15Å; S261-N283 PolarHBondContact OG-ND2 2.77Å; N283-D285 WeakPolarHBondContact OD1-CB 3.18Å; N283-D285 PolarHBondContact OD1-N 3.1Å; N283-D285 PolarHBondContact OD1-OD2 3.2Å; N283-T307 PolarHBondContact OD1-OG1 3.47Å
284	L	97.4	Very high	96.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.211	C	C	.	.			trans	-122.5	15.4	177	-72	169.2	0	0	0	112	L260 I268 L282 N287 L289 W300 T307 L308 N311	L260-L284 HydrophobicContact CB-CD2 4.02Å; L260-L284 HydrophobicContact CD1-CD2 4.07Å; I268-L284 HydrophobicContact CD1-CD1 4.23Å; L282-L284 HydrophobicContact CD1-CD1 4.29Å; L282-L284 HydrophobicContact CD1-CD2 4.33Å; L282-L284 HydrophobicContact CD1-CG 3.97Å; L282-L284 HydrophobicContact CD2-CD1 3.92Å; L282-L284 HydrophobicContact CD2-CG 4.47Å; L282-L284 HydrophobicContact CG-CD1 4Å; L282-L284 HydrophobicContact CG-CG 4.01Å; L284-N287 PolarHBondContact O-ND2 3.46Å; L284-L289 HydrophobicContact CB-CD1 4.15Å; L284-L289 HydrophobicContact CD1-CD1 4.25Å; L284-L289 HydrophobicContact CD2-CD1 4.43Å; L284-W300 HydrophobicContact CD1-CH2 4.41Å; L284-W300 HydrophobicContact CD1-CZ2 4.24Å; L284-T307 PolarHBondContact N-O 3.18Å; L284-L308 HydrophobicContact CB-CD2 4.13Å; L284-L308 HydrophobicContact CD1-CD2 4.09Å; L284-N311 PolarHBondContact O-ND2 3.01Å
285	D	97	Very high	96.8	Very high	30 Å²	30	39.2 Å²	39.2	16%	0.16	20%	0.203	C	C	.	.			trans	-59.8	156.2	-179.4	-65.1	-44.3	0	0	0	112.6	S261 G262 N283 N287 T307 L308 S309	S261-D285 CarbonylContact C-O 3.45Å; S261-D285 WeakPolarHBondContact CA-O 3.39Å; S261-D285 WeakPolarHBondContact CB-O 3.1Å; G262-D285 PolarHBondContact N-O 2.98Å; N283-D285 WeakPolarHBondContact OD1-CB 3.18Å; N283-D285 PolarHBondContact OD1-N 3.1Å; N283-D285 PolarHBondContact OD1-OD2 3.2Å; D285-N287 PolarHBondContact O-N 3.31Å; D285-N287 PolarHBondContact O-ND2 3.23Å; D285-T307 VanDerWaalsContact CG-CB 3.49Å; D285-T307 VanDerWaalsContact CG-OG1 3.22Å; D285-T307 VanDerWaalsContact OD1-C 3.24Å; D285-T307 VanDerWaalsContact OD1-CB 3.29Å; D285-T307 WeakPolarHBondContact OD1-CB 3.35Å; D285-T307 PolarHBondContact OD1-OG1 3.36Å; D285-T307 WeakPolarHBondContact OD2-CB 3.43Å; D285-T307 PolarHBondContact OD2-OG1 3.32Å; D285-L308 PolarHBondContact OD1-N 3.19Å; D285-S309 CarbonylContact C-O 3.13Å; D285-S309 VanDerWaalsContact CA-O 3.24Å; D285-S309 WeakPolarHBondContact CA-O 3.34Å; D285-S309 WeakPolarHBondContact OD1-CB 3.26Å; D285-S309 PolarHBondContact OD1-N 3.07Å
286	S	97	Very high	96.9	Very high	58 Å²	58	39.2 Å²	39.2	41%	0.406	20%	0.203	S	C	.	.	S	Bend	trans	52.5	49.8	174.9	-53.2	0	0	0	0	113	G262 N263 S309 G310	G262-S286 CarbonylContact C-O 3.12Å; G262-S286 WeakPolarHBondContact CA-O 3.3Å; G262-S286 PolarHBondContact N-O 3.42Å; N263-S286 PolarHBondContact N-O 2.87Å; S286-S309 PolarHBondContact N-O 3.44Å; S286-G310 VanDerWaalsContact CA-O 3.31Å; S286-G310 WeakPolarHBondContact CA-O 3.44Å
287	N	98.3	Very high	97	Very high	7 Å²	7	39 Å²	39	4%	0.037	20%	0.202	C	C	.	.	S	Bend	trans	-120.7	-168	176.6	-90.7	-87.2	0	0	0	110.1	L260 N263 I265 L284 D285 L289 G310 N311	L260-N287 PolarHBondContact O-ND2 3.06Å; N263-N287 VanDerWaalsContact C-OD1 3.25Å; N263-N287 WeakPolarHBondContact CA-OD1 3.33Å; N263-N287 WeakPolarHBondContact CB-OD1 3.46Å; N263-N287 PolarHBondContact O-OD1 2.83Å; I265-N287 VanDerWaalsContact CB-OD1 3.29Å; I265-N287 WeakPolarHBondContact CB-OD1 3.46Å; I265-N287 VanDerWaalsContact CG1-OD1 3.26Å; I265-N287 WeakPolarHBondContact CG1-OD1 3.34Å; I265-N287 PolarHBondContact N-OD1 3.33Å; I265-N287 VanDerWaalsContact N-OD1 3.15Å; L284-N287 PolarHBondContact O-ND2 3.46Å; D285-N287 PolarHBondContact O-N 3.31Å; D285-N287 PolarHBondContact O-ND2 3.23Å; N287-L289 HydrophobicContact CB-CD1 4.49Å; N287-L289 HydrophobicContact CB-CG 4.35Å; N287-G310 PolarHBondContact N-O 2.87Å; N287-N311 VanDerWaalsContact CA-OD1 3.3Å; N287-N311 WeakPolarHBondContact CA-OD1 3.5Å; N287-N311 WeakPolarHBondContact CB-OD1 3.38Å; N287-N311 PolarHBondContact O-OD1 2.98Å
288	K	97.8	Very high	97	Very high	94 Å²	94	42.4 Å²	42.4	41%	0.409	22%	0.219	S	C	.	.			trans	-118.1	23.3	-176.6	-68.1	175.3	178.4	166.3	0	112.4	D264 I265 Q266 T290 N311	D264-K288 IonicContact OD1-NZ 2.73Å; D264-K288 PolarHBondContact OD1-NZ 3.36Å; I265-K288 CarbonylContact O-C 3.09Å; I265-K288 VanDerWaalsContact O-CA 3.26Å; I265-K288 WeakPolarHBondContact O-CA 3.35Å; I265-K288 PolarHBondContact O-N 2.84Å; Q266-K288 WeakPolarHBondContact CA-O 3.29Å; Q266-K288 HydrophobicContact CG-CB 4.07Å; K288-T290 PolarHBondContact O-N 3.33Å; K288-N311 PolarHBondContact N-OD1 2.93Å
289	L	97.3	Very high	97	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.207	C	C	.	.			trans	-65.9	130.8	-177.2	-61.4	166.2	0	0	0	110.3	I265 I268 L284 N287 I292 N311 M312 W313	I265-L289 HydrophobicContact CB-CD2 4.4Å; I265-L289 HydrophobicContact CG2-CD2 3.77Å; I265-L289 PolarHBondContact O-N 2.92Å; I265-L289 VanDerWaalsContact O-N 3.08Å; I268-L289 HydrophobicContact CD1-CD2 4.16Å; I268-L289 HydrophobicContact CG1-CD2 3.84Å; L284-L289 HydrophobicContact CB-CD1 4.15Å; L284-L289 HydrophobicContact CD1-CD1 4.25Å; L284-L289 HydrophobicContact CD2-CD1 4.43Å; N287-L289 HydrophobicContact CB-CD1 4.49Å; N287-L289 HydrophobicContact CB-CG 4.35Å; L289-I292 HydrophobicContact CD1-CD1 4.3Å; L289-I292 HydrophobicContact CD2-CD1 4.43Å; L289-N311 HydrophobicContact CB-CB 4.29Å; L289-N311 VanDerWaalsContact CB-OD1 3.27Å; L289-N311 WeakPolarHBondContact CB-OD1 3.5Å; L289-N311 WeakPolarHBondContact CG-OD1 3.43Å; L289-N311 PolarHBondContact N-OD1 3.23Å; L289-M312 CarbonylContact O-C 3.53Å; L289-M312 WeakPolarHBondContact O-CA 3.39Å; L289-M312 PolarHBondContact O-N 2.86Å; L289-W313 HydrophobicContact CB-CH2 3.7Å; L289-W313 HydrophobicContact CB-CZ2 4.36Å; L289-W313 HydrophobicContact CB-CZ3 3.86Å; L289-W313 HydrophobicContact CD1-CH2 4.05Å; L289-W313 PolarHBondContact O-N 2.75Å
290	T	96.5	Very high	96.9	Very high	57 Å²	57	40.1 Å²	40.1	35%	0.35	21%	0.207	S	C	.	.			trans	-99.3	-32.6	175.7	57.6	0	0	0	0	112.8	K288 M312 E314	K288-T290 PolarHBondContact O-N 3.33Å; T290-M312 WeakPolarHBondContact CA-O 3.26Å; T290-M312 HydrophobicContact CG2-CB 4.41Å; T290-E314 PolarHBondContact O-N 2.97Å
291	N	95.6	Very high	96.7	Very high	61 Å²	61	42.5 Å²	42.5	33%	0.326	22%	0.221	S	C	.	.			trans	-154.7	176	175.6	61.4	64.4	0	0	0	111
292	I	96.8	Very high	96.7	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.021	21%	0.213	C	C	.	.			trans	-134.6	133.4	171.9	-59.6	-70.1	0	0	0	108.1	I268 L289 T296 V297 W300 W313 L322	I268-I292 HydrophobicContact CD1-CD1 3.65Å; I268-I292 HydrophobicContact CG1-CD1 4.25Å; L289-I292 HydrophobicContact CD1-CD1 4.3Å; L289-I292 HydrophobicContact CD2-CD1 4.43Å; I292-T296 HydrophobicContact CG2-CG2 3.65Å; I292-V297 HydrophobicContact CB-CG1 4.49Å; I292-V297 HydrophobicContact CG2-CG1 3.67Å; I292-W300 HydrophobicContact CD1-CH2 4.23Å; I292-W300 HydrophobicContact CG1-CH2 4.2Å; I292-W300 HydrophobicContact CG2-CH2 3.84Å; I292-W300 HydrophobicContact CG2-CZ2 4.31Å; I292-W300 HydrophobicContact CG2-CZ3 4.33Å; I292-W313 HydrophobicContact CD1-CH2 4.38Å; I292-W313 HydrophobicContact CG1-CH2 3.98Å; I292-W313 HydrophobicContact CG1-CZ3 4.01Å; I292-L322 HydrophobicContact CB-CB 4.3Å; I292-L322 HydrophobicContact CB-CD1 4.29Å; I292-L322 HydrophobicContact CB-CD2 4.33Å; I292-L322 HydrophobicContact CG1-CD1 4.19Å; I292-L322 HydrophobicContact CG1-CD2 3.87Å; I292-L322 HydrophobicContact CG1-CG 4.49Å
293	S	96.4	Very high	96.7	Very high	28 Å²	28	40 Å²	40	20%	0.196	22%	0.216	C	C	.	.			trans	-76	159.5	-177.7	88	0	0	0	0	113.5	E295 T296 V297	S293-E295 VanDerWaalsContact C-N 3.3Å; S293-E295 WeakPolarHBondContact CB-OE2 3.41Å; S293-E295 PolarHBondContact O-N 2.81Å; S293-E295 PolarHBondContact OG-OE2 3.06Å; S293-T296 WeakPolarHBondContact O-CB 3.47Å; S293-T296 PolarHBondContact O-N 3.44Å; S293-T296 PolarHBondContact OG-N 3.5Å; S293-T296 PolarHBondContact OG-OG1 2.94Å; S293-V297 PolarHBondContact O-N 2.93Å; S293-V297 VanDerWaalsContact O-N 3.14Å
294	Q	95.8	Very high	96.6	Very high	79 Å²	79	42.8 Å²	42.8	37%	0.369	23%	0.23	S	C	.	.	H	α-helix	trans	-60.1	-39.7	177.9	-169.9	64.7	58.3	0	0	111.9	T296 V297 N298 P321	Q294-T296 PolarHBondContact O-N 3.36Å; Q294-V297 WeakPolarHBondContact O-CG2 3.44Å; Q294-V297 PolarHBondContact O-N 3.49Å; Q294-N298 PolarHBondContact NE2-OD1 2.87Å; Q294-N298 WeakPolarHBondContact O-CB 3.32Å; Q294-N298 PolarHBondContact O-N 3.33Å; Q294-N298 PolarHBondContact O-ND2 3.12Å; Q294-N298 PolarHBondContact O-OD1 3.37Å; Q294-P321 HydrophobicContact CB-CB 4.31Å
295	E	95.6	Very high	96.7	Very high	85 Å²	85	44.2 Å²	44.2	40%	0.397	24%	0.24	S	C	.	.	H	α-helix	trans	-67.7	-22.4	178.4	-47.2	67.3	-141.8	0	0	112.3	P270 S293	P270-E295 HydrophobicContact CB-CB 4.18Å; P270-E295 HydrophobicContact CB-CG 4.32Å; S293-E295 VanDerWaalsContact C-N 3.3Å; S293-E295 WeakPolarHBondContact CB-OE2 3.41Å; S293-E295 PolarHBondContact O-N 2.81Å; S293-E295 PolarHBondContact OG-OE2 3.06Å
296	T	96.4	Very high	96.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-81.8	-48.4	178.5	-56.8	0	0	0	0	110.5	I268 F273 I292 S293 Q294 N298 A299 W300	I268-T296 HydrophobicContact CB-CG2 4.42Å; I268-T296 HydrophobicContact CG2-CG2 3.86Å; F273-T296 HydrophobicContact CD2-CG2 4.13Å; I292-T296 HydrophobicContact CG2-CG2 3.65Å; S293-T296 WeakPolarHBondContact O-CB 3.47Å; S293-T296 PolarHBondContact O-N 3.44Å; S293-T296 PolarHBondContact OG-N 3.5Å; S293-T296 PolarHBondContact OG-OG1 2.94Å; Q294-T296 PolarHBondContact O-N 3.36Å; T296-N298 VanDerWaalsContact C-N 3.31Å; T296-N298 PolarHBondContact O-N 3.31Å; T296-A299 WeakPolarHBondContact O-CB 3.14Å; T296-A299 PolarHBondContact O-N 3.04Å; T296-A299 VanDerWaalsContact O-N 3.13Å; T296-W300 HydrophobicContact CG2-CZ2 3.91Å
297	V	96.5	Very high	96.7	Very high	1 Å²	1	41 Å²	41	1%	0.006	22%	0.219	C	C	.	.	H	α-helix	trans	-66.5	-32.9	174	-59.6	0	0	0	0	112.4	I292 S293 Q294 A299 W300 L322 W325	I292-V297 HydrophobicContact CB-CG1 4.49Å; I292-V297 HydrophobicContact CG2-CG1 3.67Å; S293-V297 PolarHBondContact O-N 2.93Å; S293-V297 VanDerWaalsContact O-N 3.14Å; Q294-V297 WeakPolarHBondContact O-CG2 3.44Å; Q294-V297 PolarHBondContact O-N 3.49Å; V297-A299 PolarHBondContact O-N 3.47Å; V297-W300 HydrophobicContact CB-CE3 4.29Å; V297-W300 HydrophobicContact CG1-CE3 3.96Å; V297-W300 HydrophobicContact CG1-CZ3 3.84Å; V297-W300 WeakPolarHBondContact O-CB 3.38Å; V297-W300 PolarHBondContact O-N 3.3Å; V297-L322 HydrophobicContact CG1-CD1 4.17Å; V297-W325 HydrophobicContact CB-CB 3.97Å; V297-W325 HydrophobicContact CB-CD2 4.3Å; V297-W325 HydrophobicContact CB-CG 3.74Å; V297-W325 HydrophobicContact CG1-CB 4.16Å; V297-W325 HydrophobicContact CG1-CD2 4.5Å; V297-W325 HydrophobicContact CG1-CG 4.18Å; V297-W325 HydrophobicContact CG2-CB 4.18Å; V297-W325 HydrophobicContact CG2-CG 4.35Å; V297-W325 PolarHBondContact O-NE1 3.43Å
298	N	95.8	Very high	96.6	Very high	101 Å²	101	40.8 Å²	40.8	54%	0.54	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-18.5	174	-72.1	2.7	0	0	0	113.2	Q294 T296 I301	Q294-N298 PolarHBondContact NE2-OD1 2.87Å; Q294-N298 WeakPolarHBondContact O-CB 3.32Å; Q294-N298 PolarHBondContact O-N 3.33Å; Q294-N298 PolarHBondContact O-ND2 3.12Å; Q294-N298 PolarHBondContact O-OD1 3.37Å; T296-N298 VanDerWaalsContact C-N 3.31Å; T296-N298 PolarHBondContact O-N 3.31Å; N298-I301 WeakPolarHBondContact O-CG2 3.24Å
299	A	95.9	Very high	96.5	Very high	14 Å²	14	37.1 Å²	37.1	12%	0.116	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-14	174.6	0	0	0	0	0	113.1	F273 K274 T296 V297 I301	F273-A299 HydrophobicContact CB-CB 3.85Å; K274-A299 HydrophobicContact CG-CB 4.26Å; T296-A299 WeakPolarHBondContact O-CB 3.14Å; T296-A299 PolarHBondContact O-N 3.04Å; T296-A299 VanDerWaalsContact O-N 3.13Å; V297-A299 PolarHBondContact O-N 3.47Å; A299-I301 PolarHBondContact O-N 3.17Å
300	W	95.9	Very high	96.4	Very high	10 Å²	10	39.7 Å²	39.7	4%	0.038	23%	0.231	C	C	.	.			trans	-84.3	46.3	-176.1	-65.4	-15.9	0	0	0	113.2	F273 L282 L284 I292 T296 V297 S302 L303 I306 L322 W325	F273-W300 AromaticContact CD1-NE1 3.59Å; F273-W300 AromaticContact CD2-NE1 3.79Å; F273-W300 AromaticContact CG-NE1 3.47Å; L282-W300 HydrophobicContact CD2-CD2 4.41Å; L282-W300 HydrophobicContact CD2-CZ2 3.79Å; L284-W300 HydrophobicContact CD1-CH2 4.41Å; L284-W300 HydrophobicContact CD1-CZ2 4.24Å; I292-W300 HydrophobicContact CD1-CH2 4.23Å; I292-W300 HydrophobicContact CG1-CH2 4.2Å; I292-W300 HydrophobicContact CG2-CH2 3.84Å; I292-W300 HydrophobicContact CG2-CZ2 4.31Å; I292-W300 HydrophobicContact CG2-CZ3 4.33Å; T296-W300 HydrophobicContact CG2-CZ2 3.91Å; V297-W300 HydrophobicContact CB-CE3 4.29Å; V297-W300 HydrophobicContact CG1-CE3 3.96Å; V297-W300 HydrophobicContact CG1-CZ3 3.84Å; V297-W300 WeakPolarHBondContact O-CB 3.38Å; V297-W300 PolarHBondContact O-N 3.3Å; W300-S302 VanDerWaalsContact C-N 3.35Å; W300-S302 PolarHBondContact O-N 3.44Å; W300-L303 HydrophobicContact CB-CD1 3.71Å; W300-L303 HydrophobicContact CB-CG 4.1Å; W300-L303 HydrophobicContact CD2-CD1 4.01Å; W300-L303 HydrophobicContact CE3-CD1 4.33Å; W300-L303 HydrophobicContact CG-CD1 3.75Å; W300-L303 HydrophobicContact CG-CG 4.48Å; W300-I306 HydrophobicContact CD2-CD1 4.48Å; W300-I306 HydrophobicContact CE3-CD1 3.8Å; W300-I306 HydrophobicContact CH2-CD1 3.98Å; W300-I306 HydrophobicContact CZ3-CD1 3.51Å; W300-L322 HydrophobicContact CH2-CD1 4.44Å; W300-L322 HydrophobicContact CZ3-CD1 3.91Å; W300-W325 HydrophobicContact CB-CH2 4.48Å; W300-W325 HydrophobicContact CB-CZ2 3.69Å; W300-W325 HydrophobicContact CE3-CD2 4.23Å; W300-W325 HydrophobicContact CE3-CE3 4.12Å; W300-W325 AromaticContact CE3-CH2 3.83Å; W300-W325 HydrophobicContact CE3-CH2 3.83Å; W300-W325 AromaticContact CE3-CZ2 3.9Å; W300-W325 HydrophobicContact CE3-CZ2 3.9Å; W300-W325 AromaticContact CE3-CZ3 3.93Å; W300-W325 HydrophobicContact CE3-CZ3 3.93Å; W300-W325 HydrophobicContact CZ3-CE3 4.37Å; W300-W325 HydrophobicContact CZ3-CZ3 4.23Å
301	I	95.1	Very high	96.4	Very high	125 Å²	125	37.5 Å²	37.5	64%	0.641	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-24.9	-170.1	61.7	175.1	0	0	0	115.1	P277 N298 A299	P277-I301 HydrophobicContact CB-CD1 4.22Å; P277-I301 WeakPolarHBondContact O-CG1 3.49Å; N298-I301 WeakPolarHBondContact O-CG2 3.24Å; A299-I301 PolarHBondContact O-N 3.17Å
302	S	97.2	Very high	96.5	Very high	42 Å²	42	39.6 Å²	39.6	29%	0.294	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.8	6	-172.5	-63.8	0	0	0	0	114.4	P277 L279 W300 I304	P277-S302 VanDerWaalsContact O-CB 3.24Å; P277-S302 WeakPolarHBondContact O-CB 3.38Å; P277-S302 PolarHBondContact O-OG 3.28Å; L279-S302 CarbonylContact O-C 3.53Å; L279-S302 WeakPolarHBondContact O-CB 3.49Å; W300-S302 VanDerWaalsContact C-N 3.35Å; W300-S302 PolarHBondContact O-N 3.44Å; S302-I304 PolarHBondContact O-N 3.35Å
303	L	97.8	Very high	96.5	Very high	15 Å²	15	39.4 Å²	39.4	8%	0.079	23%	0.225	C	C	.	.			trans	-65.5	130.7	-177.3	-72.7	-175.5	0	0	0	111.3	L279 L282 W300 I306 W325 F329	L279-L303 HydrophobicContact CB-CD2 4.44Å; L279-L303 HydrophobicContact CD2-CD2 4.19Å; L279-L303 HydrophobicContact CG-CD2 3.99Å; L279-L303 WeakPolarHBondContact O-CD2 3.27Å; L279-L303 PolarHBondContact O-N 3.34Å; L282-L303 HydrophobicContact CB-CD1 4.13Å; L282-L303 HydrophobicContact CB-CD2 3.77Å; L282-L303 HydrophobicContact CD2-CD1 4.23Å; W300-L303 HydrophobicContact CB-CD1 3.71Å; W300-L303 HydrophobicContact CB-CG 4.1Å; W300-L303 HydrophobicContact CD2-CD1 4.01Å; W300-L303 HydrophobicContact CE3-CD1 4.33Å; W300-L303 HydrophobicContact CG-CD1 3.75Å; W300-L303 HydrophobicContact CG-CG 4.48Å; L303-I306 HydrophobicContact CD1-CB 4.28Å; L303-I306 HydrophobicContact CD1-CD1 3.91Å; L303-I306 HydrophobicContact CD1-CG1 4.29Å; L303-W325 HydrophobicContact CD1-CH2 3.93Å; L303-W325 HydrophobicContact CD1-CZ2 4.22Å; L303-F329 HydrophobicContact CB-CE2 3.82Å; L303-F329 HydrophobicContact CB-CZ 4.09Å; L303-F329 VanDerWaalsContact O-CE2 3.22Å; L303-F329 WeakPolarHBondContact O-CE2 3.45Å
304	I	97.5	Very high	96.5	Very high	88 Å²	88	41.2 Å²	41.2	45%	0.451	23%	0.231	S	C	.	.	S	Bend	trans	-109.5	-13.9	169	68.6	177.6	0	0	0	111.7	Q280 S302 G331 N332	Q280-I304 HydrophobicContact CB-CD1 4.21Å; Q280-I304 HydrophobicContact CB-CG1 4.02Å; Q280-I304 WeakPolarHBondContact O-CG1 3.45Å; Q280-I304 PolarHBondContact O-N 2.86Å; S302-I304 PolarHBondContact O-N 3.35Å; I304-G331 CarbonylContact O-C 3.24Å; I304-G331 WeakPolarHBondContact O-CA 3.29Å; I304-N332 PolarHBondContact O-N 3.47Å
305	S	97.7	Very high	96.5	Very high	30 Å²	30	37.6 Å²	37.6	21%	0.21	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	138.5	174.2	-161.5	0	0	0	0	111.8	Q280 K281 L282 N332	Q280-S305 PolarHBondContact O-N 3.2Å; K281-S305 WeakPolarHBondContact CA-O 3.4Å; L282-S305 PolarHBondContact N-O 3.04Å; S305-N332 WeakPolarHBondContact CA-O 3.45Å; S305-N332 PolarHBondContact OG-O 3.02Å
306	I	97.2	Very high	96.5	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	141.1	178.7	-166	175.3	0	0	0	110.4	L282 W300 L303 L308 W325 L326 F329 N332 K333 E334	L282-I306 WeakPolarHBondContact O-CA 3.07Å; W300-I306 HydrophobicContact CD2-CD1 4.48Å; W300-I306 HydrophobicContact CE3-CD1 3.8Å; W300-I306 HydrophobicContact CH2-CD1 3.98Å; W300-I306 HydrophobicContact CZ3-CD1 3.51Å; L303-I306 HydrophobicContact CD1-CB 4.28Å; L303-I306 HydrophobicContact CD1-CD1 3.91Å; L303-I306 HydrophobicContact CD1-CG1 4.29Å; I306-L308 HydrophobicContact CD1-CD1 4.01Å; I306-L308 HydrophobicContact CD1-CD2 4.37Å; I306-L308 HydrophobicContact CD1-CG 4.23Å; I306-L308 HydrophobicContact CG1-CD1 4.34Å; I306-L308 HydrophobicContact CG1-CG 4.18Å; I306-W325 HydrophobicContact CD1-CH2 3.89Å; I306-W325 HydrophobicContact CD1-CZ3 3.77Å; I306-W325 HydrophobicContact CG2-CH2 4.2Å; I306-W325 HydrophobicContact CG2-CZ3 4.05Å; I306-L326 HydrophobicContact CG2-CD2 4.31Å; I306-F329 HydrophobicContact CG2-CD1 4.18Å; I306-F329 HydrophobicContact CG2-CE1 3.72Å; I306-F329 HydrophobicContact CG2-CZ 4.09Å; I306-N332 PolarHBondContact N-O 2.86Å; I306-N332 VanDerWaalsContact N-O 3.1Å; I306-K333 HydrophobicContact CG2-CB 4.15Å; I306-K333 WeakPolarHBondContact O-CA 3.49Å; I306-E334 PolarHBondContact O-N 3.07Å
307	T	96.9	Very high	96.4	Very high	19 Å²	19	41.1 Å²	41.1	12%	0.117	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	136.9	175	65	0	0	0	0	110.2	L282 N283 L284 D285 E334	L282-T307 PolarHBondContact O-N 2.97Å; N283-T307 PolarHBondContact OD1-OG1 3.47Å; L284-T307 PolarHBondContact N-O 3.18Å; D285-T307 VanDerWaalsContact CG-CB 3.49Å; D285-T307 VanDerWaalsContact CG-OG1 3.22Å; D285-T307 VanDerWaalsContact OD1-C 3.24Å; D285-T307 VanDerWaalsContact OD1-CB 3.29Å; D285-T307 WeakPolarHBondContact OD1-CB 3.35Å; D285-T307 PolarHBondContact OD1-OG1 3.36Å; D285-T307 WeakPolarHBondContact OD2-CB 3.43Å; D285-T307 PolarHBondContact OD2-OG1 3.32Å; T307-E334 HydrophobicContact CG2-CB 3.81Å
308	L	96.7	Very high	96.4	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.01	24%	0.242	C	C	.	.			trans	-140.6	11.1	-163	-72.1	168	0	0	0	112.9	L284 D285 I306 N311 W313 L322 L326 M337	L284-L308 HydrophobicContact CB-CD2 4.13Å; L284-L308 HydrophobicContact CD1-CD2 4.09Å; D285-L308 PolarHBondContact OD1-N 3.19Å; I306-L308 HydrophobicContact CD1-CD1 4.01Å; I306-L308 HydrophobicContact CD1-CD2 4.37Å; I306-L308 HydrophobicContact CD1-CG 4.23Å; I306-L308 HydrophobicContact CG1-CD1 4.34Å; I306-L308 HydrophobicContact CG1-CG 4.18Å; L308-N311 PolarHBondContact O-ND2 3.04Å; L308-W313 HydrophobicContact CB-CZ2 3.95Å; L308-W313 HydrophobicContact CD2-CH2 4.08Å; L308-W313 HydrophobicContact CD2-CZ2 3.87Å; L308-W313 HydrophobicContact CG-CZ2 4.42Å; L308-W313 PolarHBondContact O-NE1 3.46Å; L308-L322 HydrophobicContact CD1-CD1 4.01Å; L308-L322 HydrophobicContact CD1-CD2 4.41Å; L308-L326 HydrophobicContact CD1-CD1 3.98Å; L308-L326 HydrophobicContact CD1-CD2 4.06Å; L308-L326 HydrophobicContact CD1-CG 4.47Å; L308-M337 HydrophobicContact CB-CG 3.91Å; L308-M337 HydrophobicContact CB-SD 3.84Å; L308-M337 HydrophobicContact CD1-SD 3.87Å
309	S	95.7	Very high	96.4	Very high	16 Å²	16	38 Å²	38	11%	0.112	22%	0.217	C	C	.	.			trans	-79.7	153.3	-170.1	-54.7	0	0	0	0	111.6	D285 S286 N311 E334 T336	D285-S309 CarbonylContact C-O 3.13Å; D285-S309 VanDerWaalsContact CA-O 3.24Å; D285-S309 WeakPolarHBondContact CA-O 3.34Å; D285-S309 WeakPolarHBondContact OD1-CB 3.26Å; D285-S309 PolarHBondContact OD1-N 3.07Å; S286-S309 PolarHBondContact N-O 3.44Å; S309-N311 VanDerWaalsContact C-N 3.35Å; S309-N311 PolarHBondContact O-N 3.49Å; S309-E334 PolarHBondContact OG-O 3.39Å; S309-T336 PolarHBondContact OG-OG1 2.81Å
310	G	95.3	Very high	96.4	Very high	55 Å²	55	37.3 Å²	37.3	57%	0.567	21%	0.211	S	C	*	.	S	Bend	trans	63.4	37.3	-178.4	0	0	0	0	0	114.1	S286 N287	S286-G310 VanDerWaalsContact CA-O 3.31Å; S286-G310 WeakPolarHBondContact CA-O 3.44Å; N287-G310 PolarHBondContact N-O 2.87Å
311	N	97.2	Very high	96.4	Very high	11 Å²	11	38.1 Å²	38.1	6%	0.059	22%	0.218	C	C	.	.			trans	-109.4	167.1	171.1	-85.9	-80.3	0	0	0	110.8	L284 N287 K288 L289 L308 S309 W313	L284-N311 PolarHBondContact O-ND2 3.01Å; N287-N311 VanDerWaalsContact CA-OD1 3.3Å; N287-N311 WeakPolarHBondContact CA-OD1 3.5Å; N287-N311 WeakPolarHBondContact CB-OD1 3.38Å; N287-N311 PolarHBondContact O-OD1 2.98Å; K288-N311 PolarHBondContact N-OD1 2.93Å; L289-N311 HydrophobicContact CB-CB 4.29Å; L289-N311 VanDerWaalsContact CB-OD1 3.27Å; L289-N311 WeakPolarHBondContact CB-OD1 3.5Å; L289-N311 WeakPolarHBondContact CG-OD1 3.43Å; L289-N311 PolarHBondContact N-OD1 3.23Å; L308-N311 PolarHBondContact O-ND2 3.04Å; S309-N311 VanDerWaalsContact C-N 3.35Å; S309-N311 PolarHBondContact O-N 3.49Å; N311-W313 VanDerWaalsContact C-N 3.29Å; N311-W313 HydrophobicContact CB-CD2 4.13Å; N311-W313 VanDerWaalsContact CB-CE2 3.48Å; N311-W313 HydrophobicContact CB-CG 4.43Å; N311-W313 HydrophobicContact CB-CH2 4.46Å; N311-W313 HydrophobicContact CB-CZ2 3.66Å; N311-W313 PolarHBondContact O-N 3.24Å
312	M	96.8	Very high	96.5	Very high	105 Å²	105	32.2 Å²	32.2	52%	0.517	19%	0.187	S	C	.	.			trans	-90.4	48.7	-174.4	-64.8	-61.8	-62.7	0	0	112.3	L289 T290 E314 A340	L289-M312 CarbonylContact O-C 3.53Å; L289-M312 WeakPolarHBondContact O-CA 3.39Å; L289-M312 PolarHBondContact O-N 2.86Å; T290-M312 WeakPolarHBondContact CA-O 3.26Å; T290-M312 HydrophobicContact CG2-CB 4.41Å; M312-E314 PolarHBondContact O-N 3.08Å; M312-A340 HydrophobicContact CB-CB 4.28Å; M312-A340 HydrophobicContact CE-CB 3.88Å; M312-A340 HydrophobicContact SD-CB 4.25Å
313	W	96.9	Very high	96.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	122	-169.4	-62.8	117.8	0	0	0	113.2	L289 I292 L308 N311 C315 I319 L322 M337 A340 G341 V350	L289-W313 HydrophobicContact CB-CH2 3.7Å; L289-W313 HydrophobicContact CB-CZ2 4.36Å; L289-W313 HydrophobicContact CB-CZ3 3.86Å; L289-W313 HydrophobicContact CD1-CH2 4.05Å; L289-W313 PolarHBondContact O-N 2.75Å; I292-W313 HydrophobicContact CD1-CH2 4.38Å; I292-W313 HydrophobicContact CG1-CH2 3.98Å; I292-W313 HydrophobicContact CG1-CZ3 4.01Å; L308-W313 HydrophobicContact CB-CZ2 3.95Å; L308-W313 HydrophobicContact CD2-CH2 4.08Å; L308-W313 HydrophobicContact CD2-CZ2 3.87Å; L308-W313 HydrophobicContact CG-CZ2 4.42Å; L308-W313 PolarHBondContact O-NE1 3.46Å; N311-W313 VanDerWaalsContact C-N 3.29Å; N311-W313 HydrophobicContact CB-CD2 4.13Å; N311-W313 VanDerWaalsContact CB-CE2 3.48Å; N311-W313 HydrophobicContact CB-CG 4.43Å; N311-W313 HydrophobicContact CB-CH2 4.46Å; N311-W313 HydrophobicContact CB-CZ2 3.66Å; N311-W313 PolarHBondContact O-N 3.24Å; W313-C315 PolarHBondContact O-N 3.02Å; W313-I319 HydrophobicContact CB-CD1 4.26Å; W313-I319 HydrophobicContact CD2-CD1 4.13Å; W313-I319 HydrophobicContact CE3-CD1 3.62Å; W313-I319 HydrophobicContact CG-CD1 4.42Å; W313-I319 HydrophobicContact CZ3-CD1 4.4Å; W313-L322 HydrophobicContact CE3-CD2 4.13Å; W313-L322 HydrophobicContact CH2-CD2 3.7Å; W313-L322 HydrophobicContact CZ2-CD2 4.21Å; W313-L322 HydrophobicContact CZ3-CD2 3.64Å; W313-M337 HydrophobicContact CD2-CE 4.04Å; W313-M337 HydrophobicContact CG-CE 4.29Å; W313-M337 HydrophobicContact CZ2-CE 4.25Å; W313-A340 PolarHBondContact O-N 3.48Å; W313-G341 PolarHBondContact O-N 3.15Å; W313-V350 HydrophobicContact CB-CG2 4.1Å; W313-V350 HydrophobicContact CG-CG2 4.3Å
314	E	96.9	Very high	96.2	Very high	66 Å²	66	34.8 Å²	34.8	31%	0.308	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	101.5	174.2	-178	62.2	-162	0	0	108.8	T290 M312 S316 S318 G341 P342	T290-E314 PolarHBondContact O-N 2.97Å; M312-E314 PolarHBondContact O-N 3.08Å; E314-S316 PolarHBondContact O-N 3.02Å; E314-S318 PolarHBondContact O-OG 2.66Å; E314-G341 VanDerWaalsContact OE2-C 3.28Å; E314-G341 WeakPolarHBondContact OE2-CA 3.04Å; E314-P342 WeakPolarHBondContact OE1-CD 3.37Å
315	C	96.3	Very high	96.2	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.02	18%	0.177	C	C	.	.			trans	-78	63.1	-179.6	-68.4	0	0	0	0	110.8	W313 C339 G341 I345 I359	W313-C315 PolarHBondContact O-N 3.02Å; C315-C339 HydrophobicContact CB-CB 3.83Å; C315-C339 WeakPolarHBondContact CB-SG 3.11Å; C315-C339 VanDerWaalsContact SG-CA 3.54Å; C315-C339 WeakPolarHBondContact SG-CB 3.33Å; C315-C339 CovalentContact SG-SG 2.04Å; C315-C339 PolarHBondContact SG-SG 2.84Å; C315-G341 WeakPolarHBondContact CB-O 3.43Å; C315-G341 PolarHBondContact N-O 3.27Å; C315-I345 HydrophobicContact CB-CD1 3.42Å; C315-I345 VanDerWaalsContact CB-CD1 3.42Å; C315-I345 HydrophobicContact CB-CG1 4.28Å; C315-I345 WeakPolarHBondContact O-CD1 3.4Å; C315-I359 HydrophobicContact CB-CD1 4.31Å
316	S	95.4	Very high	96	Very high	47 Å²	47	32 Å²	32	33%	0.329	17%	0.171	S	C	.	.	S	Bend	trans	-116	-170.3	165.2	83.3	0	0	0	0	109.4	E314 S318 I319 I359	E314-S316 PolarHBondContact O-N 3.02Å; S316-S318 PolarHBondContact O-N 2.9Å; S316-S318 PolarHBondContact OG-N 3.08Å; S316-S318 PolarHBondContact OG-OG 3Å; S316-I319 WeakPolarHBondContact O-CG2 3.42Å; S316-I319 PolarHBondContact O-N 3.1Å; S316-I359 VanDerWaalsContact C-CG2 3.43Å; S316-I359 WeakPolarHBondContact O-CG2 3.33Å
317	R	94.6	Very high	95.8	Very high	112 Å²	112	38 Å²	38	42%	0.423	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-55.6	-19.2	176.7	-154.7	66.1	170.8	91.5	-18.2	113.2	I319 C320 Y324 I359 S361	R317-I319 VanDerWaalsContact C-N 3.28Å; R317-I319 PolarHBondContact O-N 3.13Å; R317-C320 VanDerWaalsContact NH1-CB 3.31Å; R317-C320 PolarHBondContact NH1-SG 3.17Å; R317-C320 WeakPolarHBondContact O-CB 3.27Å; R317-C320 PolarHBondContact O-N 2.85Å; R317-C320 PolarHBondContact O-SG 2.85Å; R317-C320 VanDerWaalsContact O-SG 3.36Å; R317-Y324 PolarHBondContact NH1-OH 3.39Å; R317-Y324 VanDerWaalsContact NH1-OH 3.16Å; R317-Y324 PolarHBondContact NH2-OH 2.78Å; R317-I359 WeakPolarHBondContact CD-O 3.29Å; R317-S361 PolarHBondContact NH2-O 2.94Å
318	S	94.8	Very high	95.7	Very high	36 Å²	36	43.1 Å²	43.1	25%	0.252	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-62.2	-24.3	173.1	56.7	0	0	0	0	115.1	E314 S316 C320	E314-S318 PolarHBondContact O-OG 2.66Å; S316-S318 PolarHBondContact O-N 2.9Å; S316-S318 PolarHBondContact OG-N 3.08Å; S316-S318 PolarHBondContact OG-OG 3Å; S318-C320 VanDerWaalsContact C-N 3.32Å
319	I	95.9	Very high	95.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-79.4	-17	-179.3	-153.9	61	0	0	0	112.8	W313 S316 R317 L322 F323 V350 V354	W313-I319 HydrophobicContact CB-CD1 4.26Å; W313-I319 HydrophobicContact CD2-CD1 4.13Å; W313-I319 HydrophobicContact CE3-CD1 3.62Å; W313-I319 HydrophobicContact CG-CD1 4.42Å; W313-I319 HydrophobicContact CZ3-CD1 4.4Å; S316-I319 WeakPolarHBondContact O-CG2 3.42Å; S316-I319 PolarHBondContact O-N 3.1Å; R317-I319 VanDerWaalsContact C-N 3.28Å; R317-I319 PolarHBondContact O-N 3.13Å; I319-L322 HydrophobicContact CD1-CD2 4.15Å; I319-L322 WeakPolarHBondContact O-CB 3.49Å; I319-L322 PolarHBondContact O-N 2.89Å; I319-L322 VanDerWaalsContact O-N 3.15Å; I319-F323 PolarHBondContact O-N 3.46Å; I319-V350 HydrophobicContact CG1-CG1 3.72Å; I319-V354 HydrophobicContact CG2-CG2 3.69Å
320	C	96.2	Very high	95.5	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-64.1	-39.2	-166.4	-57.6	0	0	0	0	115.8	R317 S318 L322 F323 Y324 C360	R317-C320 VanDerWaalsContact NH1-CB 3.31Å; R317-C320 PolarHBondContact NH1-SG 3.17Å; R317-C320 WeakPolarHBondContact O-CB 3.27Å; R317-C320 PolarHBondContact O-N 2.85Å; R317-C320 PolarHBondContact O-SG 2.85Å; R317-C320 VanDerWaalsContact O-SG 3.36Å; S318-C320 VanDerWaalsContact C-N 3.32Å; C320-L322 VanDerWaalsContact C-N 3.26Å; C320-L322 PolarHBondContact O-N 3.05Å; C320-F323 PolarHBondContact O-N 3.26Å; C320-Y324 HydrophobicContact CB-CD2 4.39Å; C320-Y324 HydrophobicContact CB-CE2 3.85Å; C320-Y324 WeakPolarHBondContact O-CD2 3.43Å; C320-Y324 VanDerWaalsContact O-CG 3.29Å; C320-Y324 PolarHBondContact O-N 3.33Å; C320-C360 WeakPolarHBondContact CA-SG 3.41Å; C320-C360 HydrophobicContact CB-CB 3.82Å; C320-C360 WeakPolarHBondContact CB-SG 3.47Å; C320-C360 WeakPolarHBondContact SG-CA 3.5Å; C320-C360 WeakPolarHBondContact SG-CB 3.05Å; C320-C360 CovalentContact SG-SG 2.03Å; C320-C360 PolarHBondContact SG-SG 2.99Å
321	P	96.4	Very high	95.4	Very high	27 Å²	27	51.8 Å²	51.8	18%	0.175	25%	0.249	C	C	.	.	H	α-helix	trans	-55.7	-42.2	173.3	-27.1	36.7	0	0	0	112.6	Q294 W325	Q294-P321 HydrophobicContact CB-CB 4.31Å; P321-W325 WeakPolarHBondContact O-CB 3.29Å; P321-W325 PolarHBondContact O-N 2.67Å
322	L	96.2	Very high	95.2	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-69.9	-43.5	176.5	-175	60	0	0	0	111.8	I292 V297 W300 L308 W313 I319 C320 W325 L326 M337	I292-L322 HydrophobicContact CB-CB 4.3Å; I292-L322 HydrophobicContact CB-CD1 4.29Å; I292-L322 HydrophobicContact CB-CD2 4.33Å; I292-L322 HydrophobicContact CG1-CD1 4.19Å; I292-L322 HydrophobicContact CG1-CD2 3.87Å; I292-L322 HydrophobicContact CG1-CG 4.49Å; V297-L322 HydrophobicContact CG1-CD1 4.17Å; W300-L322 HydrophobicContact CH2-CD1 4.44Å; W300-L322 HydrophobicContact CZ3-CD1 3.91Å; L308-L322 HydrophobicContact CD1-CD1 4.01Å; L308-L322 HydrophobicContact CD1-CD2 4.41Å; W313-L322 HydrophobicContact CE3-CD2 4.13Å; W313-L322 HydrophobicContact CH2-CD2 3.7Å; W313-L322 HydrophobicContact CZ2-CD2 4.21Å; W313-L322 HydrophobicContact CZ3-CD2 3.64Å; I319-L322 HydrophobicContact CD1-CD2 4.15Å; I319-L322 WeakPolarHBondContact O-CB 3.49Å; I319-L322 PolarHBondContact O-N 2.89Å; I319-L322 VanDerWaalsContact O-N 3.15Å; C320-L322 VanDerWaalsContact C-N 3.26Å; C320-L322 PolarHBondContact O-N 3.05Å; L322-W325 PolarHBondContact O-N 3.45Å; L322-L326 HydrophobicContact CD1-CD1 4.08Å; L322-L326 HydrophobicContact CD1-CG 4.21Å; L322-L326 HydrophobicContact CG-CD1 3.86Å; L322-L326 HydrophobicContact CG-CG 4.41Å; L322-L326 WeakPolarHBondContact O-CB 3.4Å; L322-L326 VanDerWaalsContact O-CG 3.28Å; L322-L326 WeakPolarHBondContact O-CG 3.35Å; L322-L326 PolarHBondContact O-N 3.5Å; L322-M337 HydrophobicContact CD2-CE 3.62Å; L322-M337 HydrophobicContact CG-CE 4.29Å
323	F	95.4	Very high	94.7	Very high	24 Å²	24	56.3 Å²	56.3	11%	0.105	27%	0.272	C	S	.	.	H	α-helix	trans	-61.7	-49.9	178.5	175.5	-99.6	0	0	0	112.4	I319 C320 W325 L326 K327 V354 E355 C360	I319-F323 PolarHBondContact O-N 3.46Å; C320-F323 PolarHBondContact O-N 3.26Å; F323-W325 VanDerWaalsContact C-N 3.33Å; F323-W325 PolarHBondContact O-N 2.89Å; F323-L326 PolarHBondContact O-N 2.89Å; F323-K327 HydrophobicContact CE1-CD 4.09Å; F323-K327 HydrophobicContact CZ-CD 4.08Å; F323-K327 WeakPolarHBondContact O-CB 3.44Å; F323-K327 PolarHBondContact O-N 3.32Å; F323-V354 HydrophobicContact CD1-CG1 3.72Å; F323-V354 HydrophobicContact CD2-CB 4.17Å; F323-V354 HydrophobicContact CD2-CG1 3.97Å; F323-V354 HydrophobicContact CD2-CG2 4.34Å; F323-V354 HydrophobicContact CE1-CG1 3.6Å; F323-V354 HydrophobicContact CE2-CB 4.08Å; F323-V354 HydrophobicContact CE2-CG1 3.87Å; F323-V354 HydrophobicContact CG-CB 4.49Å; F323-V354 HydrophobicContact CG-CG1 3.9Å; F323-V354 HydrophobicContact CZ-CB 4.32Å; F323-V354 HydrophobicContact CZ-CG1 3.68Å; F323-E355 HydrophobicContact CZ-CG 4Å; F323-C360 HydrophobicContact CD1-CB 4.35Å
324	Y	95.1	Very high	93.9	Very high	87 Å²	87	62.8 Å²	62.8	34%	0.341	30%	0.302	S	S	.	.	H	α-helix	trans	-63	-40	178.2	-56.5	-47.8	0	0	0	111.6	R317 C320 K327 N328 C360	R317-Y324 PolarHBondContact NH1-OH 3.39Å; R317-Y324 VanDerWaalsContact NH1-OH 3.16Å; R317-Y324 PolarHBondContact NH2-OH 2.78Å; C320-Y324 HydrophobicContact CB-CD2 4.39Å; C320-Y324 HydrophobicContact CB-CE2 3.85Å; C320-Y324 WeakPolarHBondContact O-CD2 3.43Å; C320-Y324 VanDerWaalsContact O-CG 3.29Å; C320-Y324 PolarHBondContact O-N 3.33Å; Y324-K327 PolarHBondContact O-N 2.86Å; Y324-N328 PolarHBondContact O-N 2.73Å; Y324-N328 PolarHBondContact O-ND2 2.89Å; Y324-C360 HydrophobicContact CE1-CB 3.9Å; Y324-C360 PolarHBondContact OH-O 2.88Å
325	W	96	Very high	92.4	Very high	45 Å²	45	62.6 Å²	62.6	17%	0.17	31%	0.308	C	S	.	.	H	α-helix	trans	-63.5	-47.7	175.8	-176.5	91.7	0	0	0	111.1	V297 W300 L303 I306 P321 L322 F323 K327 N328 F329	V297-W325 HydrophobicContact CB-CB 3.97Å; V297-W325 HydrophobicContact CB-CD2 4.3Å; V297-W325 HydrophobicContact CB-CG 3.74Å; V297-W325 HydrophobicContact CG1-CB 4.16Å; V297-W325 HydrophobicContact CG1-CD2 4.5Å; V297-W325 HydrophobicContact CG1-CG 4.18Å; V297-W325 HydrophobicContact CG2-CB 4.18Å; V297-W325 HydrophobicContact CG2-CG 4.35Å; V297-W325 PolarHBondContact O-NE1 3.43Å; W300-W325 HydrophobicContact CB-CH2 4.48Å; W300-W325 HydrophobicContact CB-CZ2 3.69Å; W300-W325 HydrophobicContact CE3-CD2 4.23Å; W300-W325 HydrophobicContact CE3-CE3 4.12Å; W300-W325 AromaticContact CE3-CH2 3.83Å; W300-W325 HydrophobicContact CE3-CH2 3.83Å; W300-W325 AromaticContact CE3-CZ2 3.9Å; W300-W325 HydrophobicContact CE3-CZ2 3.9Å; W300-W325 AromaticContact CE3-CZ3 3.93Å; W300-W325 HydrophobicContact CE3-CZ3 3.93Å; W300-W325 HydrophobicContact CZ3-CE3 4.37Å; W300-W325 HydrophobicContact CZ3-CZ3 4.23Å; L303-W325 HydrophobicContact CD1-CH2 3.93Å; L303-W325 HydrophobicContact CD1-CZ2 4.22Å; I306-W325 HydrophobicContact CD1-CH2 3.89Å; I306-W325 HydrophobicContact CD1-CZ3 3.77Å; I306-W325 HydrophobicContact CG2-CH2 4.2Å; I306-W325 HydrophobicContact CG2-CZ3 4.05Å; P321-W325 WeakPolarHBondContact O-CB 3.29Å; P321-W325 PolarHBondContact O-N 2.67Å; L322-W325 PolarHBondContact O-N 3.45Å; F323-W325 VanDerWaalsContact C-N 3.33Å; F323-W325 PolarHBondContact O-N 2.89Å; W325-K327 VanDerWaalsContact C-N 3.33Å; W325-K327 PolarHBondContact O-N 2.94Å; W325-N328 CarbonylContact O-C 3.57Å; W325-N328 PolarHBondContact O-N 3.36Å; W325-F329 HydrophobicContact CE3-CB 4.4Å; W325-F329 HydrophobicContact CH2-CB 4.49Å; W325-F329 AromaticContact CH2-CD2 3.33Å; W325-F329 HydrophobicContact CH2-CD2 3.33Å; W325-F329 AromaticContact CH2-CE2 3.49Å; W325-F329 HydrophobicContact CH2-CE2 3.49Å; W325-F329 VanDerWaalsContact CH2-CE2 3.49Å; W325-F329 AromaticContact CH2-CG 3.89Å; W325-F329 HydrophobicContact CH2-CG 3.89Å; W325-F329 HydrophobicContact CH2-CZ 4.16Å; W325-F329 AromaticContact CZ2-CD2 3.54Å; W325-F329 HydrophobicContact CZ2-CD2 3.54Å; W325-F329 AromaticContact CZ2-CE2 3.8Å; W325-F329 HydrophobicContact CZ2-CE2 3.8Å; W325-F329 HydrophobicContact CZ2-CG 4.41Å; W325-F329 HydrophobicContact CZ3-CB 4.26Å; W325-F329 AromaticContact CZ3-CD2 3.92Å; W325-F329 HydrophobicContact CZ3-CD2 3.92Å; W325-F329 HydrophobicContact CZ3-CE2 4.39Å; W325-F329 HydrophobicContact CZ3-CG 4.01Å; W325-F329 WeakPolarHBondContact O-CB 3.41Å; W325-F329 PolarHBondContact O-N 2.9Å
326	L	95.1	Very high	92	Very high	16 Å²	16	66.5 Å²	66.5	8%	0.084	33%	0.332	C	S	.	.	H	α-helix	trans	-63.1	-34.8	176.3	-75.5	170.9	0	0	0	113.1	I306 L308 L322 F323 N328 F329 K333 M337	I306-L326 HydrophobicContact CG2-CD2 4.31Å; L308-L326 HydrophobicContact CD1-CD1 3.98Å; L308-L326 HydrophobicContact CD1-CD2 4.06Å; L308-L326 HydrophobicContact CD1-CG 4.47Å; L322-L326 HydrophobicContact CD1-CD1 4.08Å; L322-L326 HydrophobicContact CD1-CG 4.21Å; L322-L326 HydrophobicContact CG-CD1 3.86Å; L322-L326 HydrophobicContact CG-CG 4.41Å; L322-L326 WeakPolarHBondContact O-CB 3.4Å; L322-L326 VanDerWaalsContact O-CG 3.28Å; L322-L326 WeakPolarHBondContact O-CG 3.35Å; L322-L326 PolarHBondContact O-N 3.5Å; F323-L326 PolarHBondContact O-N 2.89Å; L326-N328 VanDerWaalsContact C-N 3.29Å; L326-N328 PolarHBondContact O-N 3.08Å; L326-F329 PolarHBondContact O-N 3.34Å; L326-K333 HydrophobicContact CD2-CD 4.33Å; L326-K333 PolarHBondContact O-NZ 2.86Å; L326-M337 HydrophobicContact CD1-CE 3.91Å; L326-M337 HydrophobicContact CD1-SD 3.42Å; L326-M337 WeakPolarHBondContact CD1-SD 3.48Å
327	K	92.6	Very high	91.9	Very high	127 Å²	127	64.7 Å²	64.7	55%	0.552	32%	0.318	S	S	*	.	H	α-helix	trans	-64.2	-35.4	176.6	-168.4	158.7	-174.9	161.5	0	111.6	F323 Y324 W325 E355	F323-K327 HydrophobicContact CE1-CD 4.09Å; F323-K327 HydrophobicContact CZ-CD 4.08Å; F323-K327 WeakPolarHBondContact O-CB 3.44Å; F323-K327 PolarHBondContact O-N 3.32Å; Y324-K327 PolarHBondContact O-N 2.86Å; W325-K327 VanDerWaalsContact C-N 3.33Å; W325-K327 PolarHBondContact O-N 2.94Å; K327-E355 IonicContact NZ-OE1 2.66Å; K327-E355 PolarHBondContact NZ-OE1 2.59Å
328	N	94.1	Very high	92	Very high	126 Å²	126	63.5 Å²	63.5	67%	0.674	32%	0.319	S	S	*	.	H	α-helix	trans	-88.2	-15	175.8	-69.6	-70.7	0	0	0	114.3	Y324 W325 L326 K330	Y324-N328 PolarHBondContact O-N 2.73Å; Y324-N328 PolarHBondContact O-ND2 2.89Å; W325-N328 CarbonylContact O-C 3.57Å; W325-N328 PolarHBondContact O-N 3.36Å; L326-N328 VanDerWaalsContact C-N 3.29Å; L326-N328 PolarHBondContact O-N 3.08Å; N328-K330 PolarHBondContact O-N 3.27Å
329	F	95.6	Very high	92.1	Very high	24 Å²	24	61.8 Å²	61.8	11%	0.105	31%	0.308	C	S	.	.			trans	-68.7	115.8	-177	-172.8	-107.7	0	0	0	112.4	L303 I306 W325 L326 G331 K333	L303-F329 HydrophobicContact CB-CE2 3.82Å; L303-F329 HydrophobicContact CB-CZ 4.09Å; L303-F329 VanDerWaalsContact O-CE2 3.22Å; L303-F329 WeakPolarHBondContact O-CE2 3.45Å; I306-F329 HydrophobicContact CG2-CD1 4.18Å; I306-F329 HydrophobicContact CG2-CE1 3.72Å; I306-F329 HydrophobicContact CG2-CZ 4.09Å; W325-F329 HydrophobicContact CE3-CB 4.4Å; W325-F329 HydrophobicContact CH2-CB 4.49Å; W325-F329 AromaticContact CH2-CD2 3.33Å; W325-F329 HydrophobicContact CH2-CD2 3.33Å; W325-F329 AromaticContact CH2-CE2 3.49Å; W325-F329 HydrophobicContact CH2-CE2 3.49Å; W325-F329 VanDerWaalsContact CH2-CE2 3.49Å; W325-F329 AromaticContact CH2-CG 3.89Å; W325-F329 HydrophobicContact CH2-CG 3.89Å; W325-F329 HydrophobicContact CH2-CZ 4.16Å; W325-F329 AromaticContact CZ2-CD2 3.54Å; W325-F329 HydrophobicContact CZ2-CD2 3.54Å; W325-F329 AromaticContact CZ2-CE2 3.8Å; W325-F329 HydrophobicContact CZ2-CE2 3.8Å; W325-F329 HydrophobicContact CZ2-CG 4.41Å; W325-F329 HydrophobicContact CZ3-CB 4.26Å; W325-F329 AromaticContact CZ3-CD2 3.92Å; W325-F329 HydrophobicContact CZ3-CD2 3.92Å; W325-F329 HydrophobicContact CZ3-CE2 4.39Å; W325-F329 HydrophobicContact CZ3-CG 4.01Å; W325-F329 WeakPolarHBondContact O-CB 3.41Å; W325-F329 PolarHBondContact O-N 2.9Å; L326-F329 PolarHBondContact O-N 3.34Å; F329-G331 WeakPolarHBondContact CE1-O 3.29Å; F329-K333 HydrophobicContact CD1-CB 4.09Å; F329-K333 HydrophobicContact CD1-CD 4.27Å; F329-K333 HydrophobicContact CD1-CG 4.28Å; F329-K333 HydrophobicContact CE1-CB 4.27Å
330	K	93.4	Very high	92.1	Very high	211 Å²	211	63 Å²	63	92%	0.917	32%	0.318	S	S	*	.			trans	-90	-3.5	-179	-61.7	-177.5	-179.7	178.6	0	114.5	N328	N328-K330 PolarHBondContact O-N 3.27Å
331	G	92.9	Very high	92.1	Very high	20 Å²	20	63.3 Å²	63.3	21%	0.206	32%	0.321	C	S	.	.	S	Bend	trans	-84.4	-179.8	179.9	0	0	0	0	0	113.8	I304 F329 K333	I304-G331 CarbonylContact O-C 3.24Å; I304-G331 WeakPolarHBondContact O-CA 3.29Å; F329-G331 WeakPolarHBondContact CE1-O 3.29Å; G331-K333 PolarHBondContact O-N 3.43Å
332	N	92.4	Very high	92	Very high	127 Å²	127	63.9 Å²	63.9	68%	0.679	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.7	94.3	178.7	-70.3	3.6	0	0	0	110.7	I304 S305 I306	I304-N332 PolarHBondContact O-N 3.47Å; S305-N332 WeakPolarHBondContact CA-O 3.45Å; S305-N332 PolarHBondContact OG-O 3.02Å; I306-N332 PolarHBondContact N-O 2.86Å; I306-N332 VanDerWaalsContact N-O 3.1Å
333	K	87.4	Confident	91.9	Very high	85 Å²	85	72.8 Å²	72.8	37%	0.37	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	121.9	171.5	51.3	-179.7	171.2	-179.5	0	111	I306 L326 F329 G331	I306-K333 HydrophobicContact CG2-CB 4.15Å; I306-K333 WeakPolarHBondContact O-CA 3.49Å; L326-K333 HydrophobicContact CD2-CD 4.33Å; L326-K333 PolarHBondContact O-NZ 2.86Å; F329-K333 HydrophobicContact CD1-CB 4.09Å; F329-K333 HydrophobicContact CD1-CD 4.27Å; F329-K333 HydrophobicContact CD1-CG 4.28Å; F329-K333 HydrophobicContact CE1-CB 4.27Å; G331-K333 PolarHBondContact O-N 3.43Å
334	E	79.2	Confident	91.8	Very high	136 Å²	136	77.9 Å²	77.9	64%	0.636	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.6	98.7	163.6	-167.4	161.8	-171.7	0	0	107.3	I306 T307 S309	I306-E334 PolarHBondContact O-N 3.07Å; T307-E334 HydrophobicContact CG2-CB 3.81Å; S309-E334 PolarHBondContact OG-O 3.39Å
335	S	65.6	Low	91.8	Very high	61 Å²	61	73.9 Å²	73.9	43%	0.427	37%	0.371	S	S	.	.			trans	-121.3	50.7	-162.7	66.9	0	0	0	0	113.1	M337	S335-M337 PolarHBondContact O-N 3.39Å
336	T	86.8	Confident	91.8	Very high	86 Å²	86	77.6 Å²	77.6	53%	0.528	39%	0.391	S	S	.	.			trans	-76.1	52.5	161.1	42.2	0	0	0	0	110.2	S309 I338	S309-T336 PolarHBondContact OG-OG1 2.81Å; T336-I338 PolarHBondContact O-N 3.44Å
337	M	94.4	Very high	91.8	Very high	8 Å²	8	79.5 Å²	79.5	4%	0.039	41%	0.414	C	S	.	.			trans	-73.3	121.9	172.4	-66.7	170.2	58.9	0	0	108.4	L308 W313 L322 L326 S335 K349 V350	L308-M337 HydrophobicContact CB-CG 3.91Å; L308-M337 HydrophobicContact CB-SD 3.84Å; L308-M337 HydrophobicContact CD1-SD 3.87Å; W313-M337 HydrophobicContact CD2-CE 4.04Å; W313-M337 HydrophobicContact CG-CE 4.29Å; W313-M337 HydrophobicContact CZ2-CE 4.25Å; L322-M337 HydrophobicContact CD2-CE 3.62Å; L322-M337 HydrophobicContact CG-CE 4.29Å; L326-M337 HydrophobicContact CD1-CE 3.91Å; L326-M337 HydrophobicContact CD1-SD 3.42Å; L326-M337 WeakPolarHBondContact CD1-SD 3.48Å; S335-M337 PolarHBondContact O-N 3.39Å; M337-K349 WeakPolarHBondContact O-CA 3.43Å; M337-V350 HydrophobicContact CB-CB 4.01Å; M337-V350 HydrophobicContact CB-CG2 3.67Å; M337-V350 HydrophobicContact CE-CB 4.46Å; M337-V350 HydrophobicContact CE-CG1 4.26Å; M337-V350 HydrophobicContact CE-CG2 4.33Å; M337-V350 PolarHBondContact O-N 3.07Å
338	I	96.3	Very high	91.9	Very high	87 Å²	87	76.3 Å²	76.3	45%	0.446	40%	0.401	S	S	.	.	B	Isolated β-bridge	trans	-114.1	138.6	-179.4	-66.6	170.5	0	0	0	108.1	T336 A340 E348	T336-I338 PolarHBondContact O-N 3.44Å; I338-A340 PolarHBondContact O-N 3.45Å; I338-E348 CarbonylContact C-O 3.22Å; I338-E348 VanDerWaalsContact CA-O 3.31Å; I338-E348 WeakPolarHBondContact CA-O 3.38Å
339	C	97.2	Very high	92	Very high	1 Å²	1	75.3 Å²	75.3	1%	0.007	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	123.1	173.8	-64.9	0	0	0	0	109.9	C315 I345 Q346 G347 E348	C315-C339 HydrophobicContact CB-CB 3.83Å; C315-C339 WeakPolarHBondContact CB-SG 3.11Å; C315-C339 VanDerWaalsContact SG-CA 3.54Å; C315-C339 WeakPolarHBondContact SG-CB 3.33Å; C315-C339 CovalentContact SG-SG 2.04Å; C315-C339 PolarHBondContact SG-SG 2.84Å; C339-I345 HydrophobicContact CB-CG1 4.43Å; C339-I345 VanDerWaalsContact CB-O 3.29Å; C339-I345 WeakPolarHBondContact CB-O 3.36Å; C339-Q346 WeakPolarHBondContact O-CA 3.11Å; C339-G347 PolarHBondContact O-N 2.9Å; C339-E348 PolarHBondContact N-O 3.01Å
340	A	96.9	Very high	92	Very high	26 Å²	26	74.4 Å²	74.4	22%	0.215	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-23.4	172.7	0	0	0	0	0	112.2	M312 W313 I338 Q346	M312-A340 HydrophobicContact CB-CB 4.28Å; M312-A340 HydrophobicContact CE-CB 3.88Å; M312-A340 HydrophobicContact SD-CB 4.25Å; W313-A340 PolarHBondContact O-N 3.48Å; I338-A340 PolarHBondContact O-N 3.45Å; A340-Q346 WeakPolarHBondContact O-CG 3.49Å
341	G	94.4	Very high	91.9	Very high	6 Å²	6	66.9 Å²	66.9	6%	0.062	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	168.9	173.3	0	0	0	0	0	111.6	W313 E314 C315	W313-G341 PolarHBondContact O-N 3.15Å; E314-G341 VanDerWaalsContact OE2-C 3.28Å; E314-G341 WeakPolarHBondContact OE2-CA 3.04Å; C315-G341 WeakPolarHBondContact CB-O 3.43Å; C315-G341 PolarHBondContact N-O 3.27Å
342	P	95.3	Very high	92	Very high	38 Å²	38	69.1 Å²	69.1	25%	0.247	37%	0.368	C	S	.	.	S	Bend	cis	-67	161.9	-7.8	28.4	-36.9	0	0	0	113.2	E314 H344 I345 Q346	E314-P342 WeakPolarHBondContact OE1-CD 3.37Å; P342-H344 VanDerWaalsContact CG-CE1 3.45Å; P342-H344 WeakPolarHBondContact CG-CE1 3.33Å; P342-H344 PolarHBondContact O-N 2.91Å; P342-I345 HydrophobicContact CG-CD1 4.32Å; P342-I345 HydrophobicContact CG-CG1 4.2Å; P342-I345 PolarHBondContact O-N 3.38Å; P342-I345 VanDerWaalsContact O-N 3.08Å; P342-Q346 PolarHBondContact O-N 3.32Å
343	K	93.9	Very high	92.1	Very high	188 Å²	188	63 Å²	63	82%	0.817	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-51	-28.2	-169.5	-69	-172.7	178.4	-176.9	0	116.4	I345	K343-I345 VanDerWaalsContact C-N 3.34Å
344	H	93.3	Very high	92.4	Very high	130 Å²	130	59.2 Å²	59.2	60%	0.602	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-80.8	-11.8	-175	61.2	-93.3	0	0	0	114.2	P342	P342-H344 VanDerWaalsContact CG-CE1 3.45Å; P342-H344 WeakPolarHBondContact CG-CE1 3.33Å; P342-H344 PolarHBondContact O-N 2.91Å
345	I	95.1	Very high	93.1	Very high	3 Å²	3	58 Å²	58	2%	0.015	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-122.1	14.1	171.2	57.9	-179.1	0	0	0	112	C315 C339 P342 K343 G347 E348 A353 Y357 I359	C315-I345 HydrophobicContact CB-CD1 3.42Å; C315-I345 VanDerWaalsContact CB-CD1 3.42Å; C315-I345 HydrophobicContact CB-CG1 4.28Å; C315-I345 WeakPolarHBondContact O-CD1 3.4Å; C339-I345 HydrophobicContact CB-CG1 4.43Å; C339-I345 VanDerWaalsContact CB-O 3.29Å; C339-I345 WeakPolarHBondContact CB-O 3.36Å; P342-I345 HydrophobicContact CG-CD1 4.32Å; P342-I345 HydrophobicContact CG-CG1 4.2Å; P342-I345 PolarHBondContact O-N 3.38Å; P342-I345 VanDerWaalsContact O-N 3.08Å; K343-I345 VanDerWaalsContact C-N 3.34Å; I345-G347 PolarHBondContact O-N 2.96Å; I345-E348 WeakPolarHBondContact O-CB 3.47Å; I345-E348 PolarHBondContact O-N 2.87Å; I345-A353 HydrophobicContact CB-CB 4.45Å; I345-A353 HydrophobicContact CD1-CB 4.23Å; I345-Y357 HydrophobicContact CG2-CD1 4.22Å; I345-Y357 HydrophobicContact CG2-CD2 3.68Å; I345-Y357 HydrophobicContact CG2-CE1 3.87Å; I345-Y357 HydrophobicContact CG2-CE2 3.3Å; I345-Y357 HydrophobicContact CG2-CG 4.14Å; I345-I359 HydrophobicContact CD1-CD1 3.83Å
346	Q	95.8	Very high	94.4	Very high	124 Å²	124	59.7 Å²	59.7	58%	0.579	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	125.1	-179.2	-179.9	177.2	-5	0	0	110.2	C339 A340 P342	C339-Q346 WeakPolarHBondContact O-CA 3.11Å; A340-Q346 WeakPolarHBondContact O-CG 3.49Å; P342-Q346 PolarHBondContact O-N 3.32Å
347	G	94.8	Very high	94.7	Very high	55 Å²	55	60.8 Å²	60.8	57%	0.567	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.7	-13.6	-175.3	0	0	0	0	0	114.7	C339 I345	C339-G347 PolarHBondContact O-N 2.9Å; I345-G347 PolarHBondContact O-N 2.96Å
348	E	95.3	Very high	94.6	Very high	60 Å²	60	65.2 Å²	65.2	28%	0.28	34%	0.341	S	S	.	.	S	Bend	trans	-71.7	158.3	171.4	-65.9	-174.1	-155.4	0	0	112.1	I338 C339 I345 A353 Y357	I338-E348 CarbonylContact C-O 3.22Å; I338-E348 VanDerWaalsContact CA-O 3.31Å; I338-E348 WeakPolarHBondContact CA-O 3.38Å; C339-E348 PolarHBondContact N-O 3.01Å; I345-E348 WeakPolarHBondContact O-CB 3.47Å; I345-E348 PolarHBondContact O-N 2.87Å; E348-A353 HydrophobicContact CB-CB 4.13Å; E348-A353 WeakPolarHBondContact OE2-CB 3.43Å; E348-Y357 PolarHBondContact OE1-OH 3.23Å
349	K	95.7	Very high	94.5	Very high	106 Å²	106	62.4 Å²	62.4	46%	0.461	33%	0.326	S	S	.	.	B	Isolated β-bridge	trans	-73.5	142.5	170.2	-51.9	-164.5	-148.4	89	0	110	M337 S351 D352 A353	M337-K349 WeakPolarHBondContact O-CA 3.43Å; K349-S351 PolarHBondContact O-N 3.31Å; K349-D352 HydrophobicContact CB-CB 4.27Å; K349-D352 IonicContact NZ-OD1 3.95Å; K349-D352 IonicContact NZ-OD2 2.69Å; K349-D352 PolarHBondContact NZ-OD2 3.47Å; K349-D352 PolarHBondContact O-N 3.2Å; K349-D352 VanDerWaalsContact O-N 3.09Å; K349-A353 WeakPolarHBondContact O-CB 3.39Å; K349-A353 PolarHBondContact O-N 3.37Å
350	V	95.2	Very high	94.3	Very high	5 Å²	5	62.9 Å²	62.9	3%	0.03	33%	0.33	C	S	.	.	H	α-helix	trans	-58.8	-34.4	179.8	177	0	0	0	0	112.5	W313 I319 M337 V354	W313-V350 HydrophobicContact CB-CG2 4.1Å; W313-V350 HydrophobicContact CG-CG2 4.3Å; I319-V350 HydrophobicContact CG1-CG1 3.72Å; M337-V350 HydrophobicContact CB-CB 4.01Å; M337-V350 HydrophobicContact CB-CG2 3.67Å; M337-V350 HydrophobicContact CE-CB 4.46Å; M337-V350 HydrophobicContact CE-CG1 4.26Å; M337-V350 HydrophobicContact CE-CG2 4.33Å; M337-V350 PolarHBondContact O-N 3.07Å; V350-V354 HydrophobicContact CG1-CG2 4.35Å; V350-V354 VanDerWaalsContact O-CB 3.3Å; V350-V354 WeakPolarHBondContact O-CB 3.47Å; V350-V354 WeakPolarHBondContact O-CG2 3.38Å; V350-V354 PolarHBondContact O-N 2.81Å
351	S	93.2	Very high	93.8	Very high	53 Å²	53	64.2 Å²	64.2	37%	0.371	34%	0.338	S	S	.	.	H	α-helix	trans	-62.2	-52.3	173.9	40.8	0	0	0	0	112.1	K349 V354 E355	K349-S351 PolarHBondContact O-N 3.31Å; S351-V354 PolarHBondContact O-N 2.85Å; S351-E355 PolarHBondContact O-N 3.31Å
352	D	93.9	Very high	92.8	Very high	66 Å²	66	71.5 Å²	71.5	35%	0.353	37%	0.37	S	S	.	.	H	α-helix	trans	-70.8	-41.9	-167.9	-48.7	7.1	0	0	0	109.1	K349 T356	K349-D352 HydrophobicContact CB-CB 4.27Å; K349-D352 IonicContact NZ-OD1 3.95Å; K349-D352 IonicContact NZ-OD2 2.69Å; K349-D352 PolarHBondContact NZ-OD2 3.47Å; K349-D352 PolarHBondContact O-N 3.2Å; K349-D352 VanDerWaalsContact O-N 3.09Å; D352-T356 WeakPolarHBondContact O-CB 3.29Å; D352-T356 PolarHBondContact O-N 3.14Å; D352-T356 PolarHBondContact O-OG1 2.95Å
353	A	94.9	Very high	90.9	Very high	0 Å²	0	75.3 Å²	75.3	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-66	-41.9	175.2	0	0	0	0	0	113.2	I345 E348 K349 E355 Y357 I359	I345-A353 HydrophobicContact CB-CB 4.45Å; I345-A353 HydrophobicContact CD1-CB 4.23Å; E348-A353 HydrophobicContact CB-CB 4.13Å; E348-A353 WeakPolarHBondContact OE2-CB 3.43Å; K349-A353 WeakPolarHBondContact O-CB 3.39Å; K349-A353 PolarHBondContact O-N 3.37Å; A353-E355 VanDerWaalsContact C-N 3.33Å; A353-E355 PolarHBondContact O-N 2.87Å; A353-Y357 WeakPolarHBondContact O-CB 3.44Å; A353-Y357 WeakPolarHBondContact O-CD2 3.31Å; A353-Y357 PolarHBondContact O-N 3.35Å; A353-I359 WeakPolarHBondContact O-CD1 3.5Å
354	V	94.4	Very high	88.5	Confident	5 Å²	5	73.7 Å²	73.7	3%	0.03	39%	0.388	C	S	.	.	H	α-helix	trans	-64.2	-38.3	179.8	165.5	0	0	0	0	112	I319 F323 V350 S351 N358 I359 C360	I319-V354 HydrophobicContact CG2-CG2 3.69Å; F323-V354 HydrophobicContact CD1-CG1 3.72Å; F323-V354 HydrophobicContact CD2-CB 4.17Å; F323-V354 HydrophobicContact CD2-CG1 3.97Å; F323-V354 HydrophobicContact CD2-CG2 4.34Å; F323-V354 HydrophobicContact CE1-CG1 3.6Å; F323-V354 HydrophobicContact CE2-CB 4.08Å; F323-V354 HydrophobicContact CE2-CG1 3.87Å; F323-V354 HydrophobicContact CG-CB 4.49Å; F323-V354 HydrophobicContact CG-CG1 3.9Å; F323-V354 HydrophobicContact CZ-CB 4.32Å; F323-V354 HydrophobicContact CZ-CG1 3.68Å; V350-V354 HydrophobicContact CG1-CG2 4.35Å; V350-V354 VanDerWaalsContact O-CB 3.3Å; V350-V354 WeakPolarHBondContact O-CB 3.47Å; V350-V354 WeakPolarHBondContact O-CG2 3.38Å; V350-V354 PolarHBondContact O-N 2.81Å; S351-V354 PolarHBondContact O-N 2.85Å; V354-N358 PolarHBondContact O-N 3.45Å; V354-I359 HydrophobicContact CG2-CB 4.32Å; V354-I359 HydrophobicContact CG2-CD1 4.27Å; V354-I359 PolarHBondContact O-N 2.79Å; V354-I359 VanDerWaalsContact O-N 3.15Å; V354-C360 HydrophobicContact CG1-CB 3.72Å; V354-C360 WeakPolarHBondContact CG1-SG 3.47Å
355	E	92.5	Very high	86.1	Confident	110 Å²	110	72.8 Å²	72.8	51%	0.514	39%	0.391	S	S	.	.	H	α-helix	trans	-80.7	-38.2	179.8	-63.9	-172.4	160.9	0	0	111.8	F323 K327 S351 A353	F323-E355 HydrophobicContact CZ-CG 4Å; K327-E355 IonicContact NZ-OE1 2.66Å; K327-E355 PolarHBondContact NZ-OE1 2.59Å; S351-E355 PolarHBondContact O-N 3.31Å; A353-E355 VanDerWaalsContact C-N 3.33Å; A353-E355 PolarHBondContact O-N 2.87Å
356	T	93.8	Very high	83.5	Confident	96 Å²	96	78.2 Å²	78.2	59%	0.589	42%	0.424	S	S	*	.	H	α-helix	trans	-68	-48.2	178.2	-58.9	0	0	0	0	112.5	D352 N358	D352-T356 WeakPolarHBondContact O-CB 3.29Å; D352-T356 PolarHBondContact O-N 3.14Å; D352-T356 PolarHBondContact O-OG1 2.95Å; T356-N358 VanDerWaalsContact C-N 3.33Å; T356-N358 PolarHBondContact O-N 3.28Å
357	Y	92.6	Very high	80.7	Confident	109 Å²	109	78.7 Å²	78.7	43%	0.427	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	10.4	-175.9	-63.9	-97.6	0	0	0	113.1	I345 E348 A353 I359	I345-Y357 HydrophobicContact CG2-CD1 4.22Å; I345-Y357 HydrophobicContact CG2-CD2 3.68Å; I345-Y357 HydrophobicContact CG2-CE1 3.87Å; I345-Y357 HydrophobicContact CG2-CE2 3.3Å; I345-Y357 HydrophobicContact CG2-CG 4.14Å; E348-Y357 PolarHBondContact OE1-OH 3.23Å; A353-Y357 WeakPolarHBondContact O-CB 3.44Å; A353-Y357 WeakPolarHBondContact O-CD2 3.31Å; A353-Y357 PolarHBondContact O-N 3.35Å; Y357-I359 PolarHBondContact O-N 3.13Å; Y357-I359 VanDerWaalsContact O-N 3.07Å
358	N	92.8	Very high	78	Confident	102 Å²	102	81.7 Å²	81.7	55%	0.545	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	54	27.2	178.5	-80.8	-94.5	0	0	0	114.5	V354 T356 C360 S361	V354-N358 PolarHBondContact O-N 3.45Å; T356-N358 VanDerWaalsContact C-N 3.33Å; T356-N358 PolarHBondContact O-N 3.28Å; N358-C360 PolarHBondContact O-N 3Å; N358-C360 VanDerWaalsContact O-N 3.08Å; N358-S361 WeakPolarHBondContact O-CB 3.42Å; N358-S361 PolarHBondContact O-N 3.17Å; N358-S361 PolarHBondContact O-OG 3.12Å; N358-S361 PolarHBondContact OD1-OG 3.34Å
359	I	94.2	Very high	75.3	Confident	27 Å²	27	87.6 Å²	87.6	14%	0.138	47%	0.465	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-34.4	-168.6	-55.9	177.6	0	0	0	111.7	C315 S316 R317 I345 A353 V354 Y357	C315-I359 HydrophobicContact CB-CD1 4.31Å; S316-I359 VanDerWaalsContact C-CG2 3.43Å; S316-I359 WeakPolarHBondContact O-CG2 3.33Å; R317-I359 WeakPolarHBondContact CD-O 3.29Å; I345-I359 HydrophobicContact CD1-CD1 3.83Å; A353-I359 WeakPolarHBondContact O-CD1 3.5Å; V354-I359 HydrophobicContact CG2-CB 4.32Å; V354-I359 HydrophobicContact CG2-CD1 4.27Å; V354-I359 PolarHBondContact O-N 2.79Å; V354-I359 VanDerWaalsContact O-N 3.15Å; Y357-I359 PolarHBondContact O-N 3.13Å; Y357-I359 VanDerWaalsContact O-N 3.07Å
360	C	93.6	Very high	72.5	Confident	12 Å²	12	92.4 Å²	92.4	8%	0.081	48%	0.481	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	20	-178	-58.7	0	0	0	0	113.7	C320 F323 Y324 V354 N358	C320-C360 WeakPolarHBondContact CA-SG 3.41Å; C320-C360 HydrophobicContact CB-CB 3.82Å; C320-C360 WeakPolarHBondContact CB-SG 3.47Å; C320-C360 WeakPolarHBondContact SG-CA 3.5Å; C320-C360 WeakPolarHBondContact SG-CB 3.05Å; C320-C360 CovalentContact SG-SG 2.03Å; C320-C360 PolarHBondContact SG-SG 2.99Å; F323-C360 HydrophobicContact CD1-CB 4.35Å; Y324-C360 HydrophobicContact CE1-CB 3.9Å; Y324-C360 PolarHBondContact OH-O 2.88Å; V354-C360 HydrophobicContact CG1-CB 3.72Å; V354-C360 WeakPolarHBondContact CG1-SG 3.47Å; N358-C360 PolarHBondContact O-N 3Å; N358-C360 VanDerWaalsContact O-N 3.08Å
361	S	86.4	Confident	69.7	Low	54 Å²	54	97.9 Å²	97.9	38%	0.378	52%	0.519	S	S	.	.	S	Bend	trans	-69.4	148.4	170	-64.4	0	0	0	0	110.8	R317 N358 V363	R317-S361 PolarHBondContact NH2-O 2.94Å; N358-S361 WeakPolarHBondContact O-CB 3.42Å; N358-S361 PolarHBondContact O-N 3.17Å; N358-S361 PolarHBondContact O-OG 3.12Å; N358-S361 PolarHBondContact OD1-OG 3.34Å; S361-V363 PolarHBondContact O-N 3.19Å
362	E	71.8	Confident	67.1	Low	158 Å²	158	102.7 Å²	102.7	74%	0.738	54%	0.536	S	S	*	.			trans	-68.4	131.8	174	-66.6	-173.7	159.5	0	0	109.5	Q364	E362-Q364 PolarHBondContact O-N 2.82Å
363	V	55.8	Low	64.3	Low	119 Å²	119	107.7 Å²	107.7	72%	0.721	56%	0.561	S	S	*	*			trans	-71.5	103.7	172.3	178.4	0	0	0	0	106.6	S361 V365	S361-V363 PolarHBondContact O-N 3.19Å; V363-V365 VanDerWaalsContact C-N 3.34Å; V363-V365 PolarHBondContact O-N 2.84Å
364	Q	44.2	Very low	61.4	Low	154 Å²	154	113.9 Å²	113.9	72%	0.72	60%	0.599	S	S	*	*			trans	-58	101.4	164.2	-72.7	-68.7	-43.1	0	0	107.4	E362 V366	E362-Q364 PolarHBondContact O-N 2.82Å; Q364-V366 VanDerWaalsContact C-N 3.3Å; Q364-V366 PolarHBondContact O-N 3.32Å
365	V	43.1	Very low	58.5	Low	110 Å²	110	119.2 Å²	119.2	67%	0.667	63%	0.633	S	S	*	*			trans	-68.6	97.5	171.1	-179.4	0	0	0	0	105.9	V363 N367	V363-V365 VanDerWaalsContact C-N 3.34Å; V363-V365 PolarHBondContact O-N 2.84Å; V365-N367 VanDerWaalsContact C-N 3.27Å; V365-N367 PolarHBondContact O-N 3.41Å
366	V	39.9	Very low	55.6	Low	117 Å²	117	123.2 Å²	123.2	71%	0.709	65%	0.652	S	S	*	*			trans	-64.6	96.4	170.5	179.3	0	0	0	0	106.4	Q364 T368	Q364-V366 VanDerWaalsContact C-N 3.3Å; Q364-V366 PolarHBondContact O-N 3.32Å; V366-T368 PolarHBondContact O-N 2.9Å; V366-T368 PolarHBondContact O-OG1 2.84Å
367	N	36.9	Very low	52.7	Low	134 Å²	134	124.9 Å²	124.9	72%	0.717	66%	0.663	S	S	*	*			trans	-66	87.6	171.5	-79.6	-14.5	0	0	0	108	V365 E369	V365-N367 VanDerWaalsContact C-N 3.27Å; V365-N367 PolarHBondContact O-N 3.41Å; N367-E369 VanDerWaalsContact C-N 3.33Å; N367-E369 PolarHBondContact O-N 3.39Å
368	T	38.2	Very low	50	Low	118 Å²	118	126 Å²	126	72%	0.724	68%	0.683	S	S	*	*			trans	-67.3	94.8	171.1	-40.6	0	0	0	0	107.8	V366 R370	V366-T368 PolarHBondContact O-N 2.9Å; V366-T368 PolarHBondContact O-OG1 2.84Å; T368-R370 PolarHBondContact O-N 2.94Å
369	E	38.2	Very low	47.2	Very low	184 Å²	184	130.3 Å²	130.3	86%	0.86	70%	0.7	S	S	*	*			trans	-62.5	91.6	-177.9	-67.1	-168.4	150.4	0	0	111.2	N367 S371	N367-E369 VanDerWaalsContact C-N 3.33Å; N367-E369 PolarHBondContact O-N 3.39Å; E369-S371 PolarHBondContact O-N 3.22Å
370	R	37.4	Very low	44.1	Very low	208 Å²	208	138.6 Å²	138.6	79%	0.785	74%	0.735	S	S	*	*			trans	-77.8	107.5	161.2	-85.7	-169.6	170.9	-170	-2	108.5	T368 H372	T368-R370 PolarHBondContact O-N 2.94Å; R370-H372 PolarHBondContact O-CD2 3.09Å; R370-H372 PolarHBondContact O-N 2.98Å
371	S	37	Very low	41.2	Very low	119 Å²	119	143.2 Å²	143.2	83%	0.832	77%	0.765	S	S	*	*			trans	-63.2	88.9	172.9	39.9	0	0	0	0	111.5	E369	E369-S371 PolarHBondContact O-N 3.22Å
372	H	38.3	Very low	38.7	Very low	155 Å²	155	147.7 Å²	147.7	72%	0.718	78%	0.784	S	S	*	*			trans	-83.4	115.5	170.4	-81.2	-84.5	0	0	0	110.5	R370 V374	R370-H372 PolarHBondContact O-CD2 3.09Å; R370-H372 PolarHBondContact O-N 2.98Å; H372-V374 PolarHBondContact O-N 2.04Å
373	L	35.3	Very low	36.9	Very low	171 Å²	171	148 Å²	148	90%	0.895	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-60.9	130	174.8	-75.5	152.3	0	0	0	110.9
374	V	33.9	Very low	36	Very low	130 Å²	130	149 Å²	149	79%	0.788	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-92.9	121.8	177.7	-178.7	0	0	0	0	109.7	H372	H372-V374 PolarHBondContact O-N 2.04Å
375	P	32.8	Very low	35.6	Very low	116 Å²	116	147.4 Å²	147.4	75%	0.753	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-67.6	140.1	171.9	-18.8	32.7	0	0	0	111.7
376	Q	32.2	Very low	35	Very low	194 Å²	194	150.5 Å²	150.5	91%	0.907	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-82.7	142	177.4	-62.6	176.9	-3.5	0	0	111.5
377	T	33.1	Very low	34.8	Very low	132 Å²	132	150.8 Å²	150.8	81%	0.81	80%	0.8	S	S	*	*			trans	-136	146.2	165	47.2	0	0	0	0	111.3
378	P	35.3	Very low	34.4	Very low	132 Å²	132	149 Å²	149	86%	0.857	79%	0.794	S	S	*	*			trans	-88.5	158.9	-163.2	-8.3	28.7	0	0	0	114.9
379	Q	33.7	Very low	34.1	Very low	193 Å²	193	150 Å²	150	90%	0.902	79%	0.794	S	S	*	*			trans	-84.9	144.4	178.2	-62.5	174.5	-31.3	0	0	113.6
380	K	28.6	Very low	33.6	Very low	200 Å²	200	151.5 Å²	151.5	87%	0.87	80%	0.798	S	S	*	*			trans	-158.5	168.9	144.2	-116.9	-167.5	174.2	178.6	0	110.4
381	P	34.1	Very low	33.4	Very low	110 Å²	110	148.2 Å²	148.2	71%	0.714	79%	0.789	S	S	*	*				-117.4	178.8	-115.4	39.4	-25.6	0	0	0	115.8
382	L	33.8	Very low	33.4	Very low	148 Å²	148	148.7 Å²	148.7	78%	0.775	79%	0.789	S	S	*	*			trans	-62.3	145.9	-174.8	-74.2	70.7	0	0	0	114.7	I384	L382-I384 HydrophobicContact CD2-CD1 4.4Å
383	I	32.4	Very low	33	Very low	164 Å²	164	147.3 Å²	147.3	84%	0.841	79%	0.787	S	S	*	*			trans	-135.3	139.8	149.8	-60.3	-178.4	0	0	0	107.7
384	I	38.1	Very low	33	Very low	141 Å²	141	145 Å²	145	72%	0.723	78%	0.78	S	S	*	*			trans	-124.4	131.9	-176.5	-59.1	171.4	0	0	0	110.6	L382	L382-I384 HydrophobicContact CD2-CD1 4.4Å
385	P	34.4	Very low	32.7	Very low	119 Å²	119	145.8 Å²	145.8	77%	0.773	79%	0.785	S	S	*	*			trans	-102.9	157.2	159.6	-6.4	27.1	0	0	0	114.3
386	K	31.6	Very low	32.8	Very low	176 Å²	176	148.1 Å²	148.1	77%	0.765	79%	0.786	S	S	*	*			trans	-81.2	157.8	179.2	-133.5	175.8	-177.3	175.4	0	111.8
387	P	35.2	Very low	32.8	Very low	122 Å²	122	145 Å²	145	79%	0.792	78%	0.783	S	S	*	*				-138.2	142.4	84	25	-4.9	0	0	0	113.6
388	T	29.6	Very low	32.7	Very low	96 Å²	96	144.1 Å²	144.1	59%	0.589	78%	0.777	S	S	*	*				82.6	79.7	68.1	-49.2	0	0	0	0	114.9
389	I	31.6	Very low	32.5	Very low	141 Å²	141	147 Å²	147	72%	0.723	78%	0.777	S	S	*	*			trans	44.7	119.6	133.1	-56.1	167.7	0	0	0	119
390	F	28	Very low	32.1	Very low	214 Å²	214	146.4 Å²	146.4	94%	0.939	77%	0.774	S	S	*	*				-145.2	153.3	123.7	-113.7	-80.8	0	0	0	110.4
391	K	32.2	Very low	32	Very low	140 Å²	140	143 Å²	143	61%	0.609	77%	0.77	S	S	*	*			trans	-119.1	157.4	-175	-134.8	-170	178.3	-155.8	0	109.7	D393	K391-D393 WeakPolarHBondContact CE-OD1 3.28Å; K391-D393 IonicContact NZ-OD1 2.63Å; K391-D393 PolarHBondContact NZ-OD1 2.93Å; K391-D393 IonicContact NZ-OD2 2.81Å; K391-D393 PolarHBondContact NZ-OD2 2.87Å
392	P	38	Very low	32	Very low	128 Å²	128	143.7 Å²	143.7	83%	0.831	77%	0.774	S	S	*	*				-139.6	-170.3	95.8	36.1	-20	0	0	0	113.9
393	D	29.9	Very low	31.6	Very low	126 Å²	126	141.7 Å²	141.7	67%	0.674	77%	0.773	S	S	*	*			trans	-99.8	171.9	-153.2	-92.1	-65.8	0	0	0	117.9	K391	K391-D393 WeakPolarHBondContact CE-OD1 3.28Å; K391-D393 IonicContact NZ-OD1 2.63Å; K391-D393 PolarHBondContact NZ-OD1 2.93Å; K391-D393 IonicContact NZ-OD2 2.81Å; K391-D393 PolarHBondContact NZ-OD2 2.87Å
394	V	34.3	Very low	32.2	Very low	123 Å²	123	139.1 Å²	139.1	75%	0.745	77%	0.767	S	S	*	*			trans	-104.1	146.4	-176.8	172	0	0	0	0	111
395	T	28.5	Very low	31.7	Very low	147 Å²	147	137.8 Å²	137.8	90%	0.902	77%	0.77	S	S	*	*			trans	-150.3	135.6	144.3	4.1	0	0	0	0	113.1
396	Q	33.6	Very low	32	Very low	164 Å²	164	138.1 Å²	138.1	77%	0.766	77%	0.772	S	S	*	*			trans	-98.3	162.9	167.3	-118	172.9	-13.9	0	0	108.3
397	P	33.6	Very low	31.7	Very low	129 Å²	129	133 Å²	133	84%	0.838	77%	0.77	S	S	*	*				-152.4	-173.2	91.9	39.8	-20.5	0	0	0	115.2
398	T	29.1	Very low	31.4	Very low	113 Å²	113	137.5 Å²	137.5	69%	0.693	78%	0.777	S	S	*	*			trans	-125.3	139.5	-176.4	43	0	0	0	0	113.7
399	F	32.7	Very low	31.3	Very low	193 Å²	193	141.5 Å²	141.5	85%	0.846	79%	0.789	S	S	*	*			trans	65.3	146.9	148.1	-87.1	-81	0	0	0	123.7
400	E	25.3	Very low	31.4	Very low	181 Å²	181	142.7 Å²	142.7	85%	0.846	80%	0.795	S	S	*	*			trans	86.9	144.6	153.5	-78.8	172.6	-147.6	0	0	123.3
401	T	26.7	Very low	31.7	Very low	128 Å²	128	138.3 Å²	138.3	79%	0.785	79%	0.788	S	S	*	*			trans	-100.2	163.5	-171.7	12.6	0	0	0	0	111.1
402	P	33.8	Very low	31.5	Very low	124 Å²	124	134.9 Å²	134.9	81%	0.805	79%	0.792	S	S	*	*				-150.3	-173.1	54.8	40.4	-17.4	0	0	0	118.5
403	S	25.2	Very low	31.1	Very low	107 Å²	107	134 Å²	134	75%	0.748	80%	0.796	S	S	*	*			trans	-62.9	-179.6	179.3	-38.3	0	0	0	0	114.9
404	P	44	Very low	31	Very low	109 Å²	109	137.1 Å²	137.1	71%	0.708	81%	0.806	S	S	*	*			cis	-145.5	166.7	10.9	43	-23.5	0	0	0	120.3
405	S	28.8	Very low	31.2	Very low	113 Å²	113	139.9 Å²	139.9	79%	0.79	81%	0.811	S	S	*	*			trans	70.6	160.6	146.5	-70.8	0	0	0	0	120.7
406	P	40.9	Very low	31.3	Very low	127 Å²	127	141.5 Å²	141.5	83%	0.825	81%	0.808	S	S	*	*			cis	-126.2	165.2	-9.2	37.7	-23	0	0	0	115.6
407	G	25.6	Very low	31.3	Very low	69 Å²	69	143.9 Å²	143.9	71%	0.711	81%	0.812	S	S	*	*			trans	103.7	82.9	133.9	0	0	0	0	0	120.4
408	F	27.2	Very low	31.5	Very low	216 Å²	216	145.3 Å²	145.3	95%	0.947	81%	0.808	S	S	*	*				-156.8	148.5	113.3	-127.6	-93.5	0	0	0	109.6
409	Q	29.4	Very low	32.4	Very low	180 Å²	180	147.9 Å²	147.9	84%	0.841	81%	0.811	S	S	*	*			trans	-111.5	151.4	-166.2	-74	179.5	-43.8	0	0	114.2
410	I	33.1	Very low	33.4	Very low	166 Å²	166	143.4 Å²	143.4	85%	0.851	80%	0.799	S	S	*	*			trans	-115.2	121.5	166.7	-64.1	165.3	0	0	0	107.6
411	P	33.9	Very low	34.9	Very low	121 Å²	121	138.1 Å²	138.1	79%	0.786	78%	0.782	S	S	*	*			trans	-85.5	147	145.6	34.8	-28.7	0	0	0	108.7
412	G	28.8	Very low	36.2	Very low	68 Å²	68	138.6 Å²	138.6	70%	0.701	77%	0.774	S	S	*	*			cis	151.5	121.1	6.1	0	0	0	0	0	106.3	E414	G412-E414 PolarHBondContact O-N 3.4Å
413	A	29.6	Very low	37.3	Very low	109 Å²	109	140 Å²	140	90%	0.901	77%	0.77	S	S	*	*			trans	-88.2	111.3	-170.3	0	0	0	0	0	111.6
414	E	27.8	Very low	38.8	Very low	192 Å²	192	142.6 Å²	142.6	90%	0.897	77%	0.767	S	S	*	*			trans	-108.1	154.2	160.7	-66.4	-164.3	141.3	0	0	110.3	G412 E416	G412-E414 PolarHBondContact O-N 3.4Å; E414-E416 PolarHBondContact O-N 3.34Å
415	Q	38.4	Very low	39.9	Very low	182 Å²	182	142.9 Å²	142.9	85%	0.85	76%	0.762	S	S	*	*			trans	-94.1	93.4	-163.1	-66.2	179.4	-38.3	0	0	112.6
416	E	29.1	Very low	41.9	Very low	180 Å²	180	141.2 Å²	141.2	84%	0.841	74%	0.743	S	S	*	*			trans	-102	101.6	168.3	-163.9	159.5	-138.6	0	0	110.8	E414 E418	E414-E416 PolarHBondContact O-N 3.34Å; E416-E418 VanDerWaalsContact C-N 3.27Å; E416-E418 PolarHBondContact O-N 2.92Å
417	Y	35	Very low	43.3	Very low	214 Å²	214	138.1 Å²	138.1	84%	0.839	73%	0.728	S	S	*	*			trans	-75.7	77.4	174.7	-93.9	-88.2	0	0	0	110.4	H419	Y417-H419 PolarHBondContact O-N 3.02Å
418	E	36.8	Very low	45.6	Very low	160 Å²	160	136.8 Å²	136.8	75%	0.748	72%	0.715	S	S	*	*			trans	-60.3	128.8	-176.3	-151.1	-166.2	-174.3	0	0	111.9	E416 V420	E416-E418 VanDerWaalsContact C-N 3.27Å; E416-E418 PolarHBondContact O-N 2.92Å; E418-V420 HydrophobicContact CG-CG2 4.05Å; E418-V420 PolarHBondContact O-N 3.24Å
419	H	47.6	Very low	47.9	Very low	167 Å²	167	129.5 Å²	129.5	77%	0.773	69%	0.69	S	S	*	*			trans	-82.1	41.1	-159.2	-161.2	-85	0	0	0	114.4	Y417	Y417-H419 PolarHBondContact O-N 3.02Å
420	V	53.9	Low	50.4	Low	98 Å²	98	124.5 Å²	124.5	59%	0.594	67%	0.672	S	S	*	*			trans	-114.8	54.8	-163.5	-162.3	0	0	0	0	113.6	E418	E418-V420 HydrophobicContact CG-CG2 4.05Å; E418-V420 PolarHBondContact O-N 3.24Å
421	S	56.6	Low	52.6	Low	70 Å²	70	119.3 Å²	119.3	49%	0.49	65%	0.654	S	S	.	*	S	Bend	trans	-146.1	-40.7	169	64.2	0	0	0	0	114.6	H423 K424 I425	S421-H423 PolarHBondContact O-N 2.93Å; S421-K424 PolarHBondContact O-N 3Å; S421-K424 VanDerWaalsContact O-N 3.11Å; S421-I425 PolarHBondContact O-N 3.1Å
422	F	55.2	Low	55	Low	138 Å²	138	119.2 Å²	119.2	61%	0.605	65%	0.646	S	S	*	*	H	α-helix	trans	-55.8	-45.4	-168.9	-124.4	-99.4	0	0	0	114.4	K424 I425 I426	F422-K424 VanDerWaalsContact C-N 3.3Å; F422-K424 PolarHBondContact O-N 2.98Å; F422-I425 PolarHBondContact O-N 2.9Å; F422-I426 HydrophobicContact CD1-CD1 3.8Å; F422-I426 HydrophobicContact CD1-CG1 4.38Å; F422-I426 HydrophobicContact CE1-CD1 4.37Å; F422-I426 WeakPolarHBondContact O-CG1 3.31Å; F422-I426 PolarHBondContact O-N 3.36Å
423	H	56.1	Low	57.7	Low	155 Å²	155	123.9 Å²	123.9	72%	0.718	65%	0.647	S	S	*	*	H	α-helix	trans	-63.2	-31.2	-179.3	-103.7	-71.7	0	0	0	114.1	S421 A427	S421-H423 PolarHBondContact O-N 2.93Å; H423-A427 VanDerWaalsContact O-CB 3.27Å; H423-A427 WeakPolarHBondContact O-CB 3.45Å; H423-A427 PolarHBondContact O-N 3.36Å
424	K	57.3	Low	60.1	Low	161 Å²	161	123.9 Å²	123.9	70%	0.7	63%	0.632	S	S	*	*	H	α-helix	trans	-74.7	-35.3	177.2	-69.4	177.9	-178.8	169.7	0	111.4	S421 F422 G428	S421-K424 PolarHBondContact O-N 3Å; S421-K424 VanDerWaalsContact O-N 3.11Å; F422-K424 VanDerWaalsContact C-N 3.3Å; F422-K424 PolarHBondContact O-N 2.98Å; K424-G428 PolarHBondContact O-N 2.93Å
425	I	67.4	Low	62.8	Low	115 Å²	115	117.3 Å²	117.3	59%	0.59	61%	0.607	S	S	*	*	H	α-helix	trans	-68.5	-43.8	175.3	-61.5	171.9	0	0	0	110.2	S421 F422 G428 S429	S421-I425 PolarHBondContact O-N 3.1Å; F422-I425 PolarHBondContact O-N 2.9Å; I425-G428 PolarHBondContact O-N 3.2Å; I425-S429 PolarHBondContact O-N 3.33Å; I425-S429 PolarHBondContact O-OG 3.43Å
426	I	69.6	Low	65.3	Low	78 Å²	78	112.1 Å²	112.1	40%	0.4	59%	0.588	S	S	.	*	H	α-helix	trans	-63	-45.9	174.3	-68.6	172.1	0	0	0	111.3	F422 G428 S429 V430	F422-I426 HydrophobicContact CD1-CD1 3.8Å; F422-I426 HydrophobicContact CD1-CG1 4.38Å; F422-I426 HydrophobicContact CE1-CD1 4.37Å; F422-I426 WeakPolarHBondContact O-CG1 3.31Å; F422-I426 PolarHBondContact O-N 3.36Å; I426-G428 VanDerWaalsContact C-N 3.32Å; I426-G428 PolarHBondContact O-N 3.36Å; I426-S429 PolarHBondContact O-N 2.86Å; I426-S429 PolarHBondContact O-OG 2.83Å; I426-S429 VanDerWaalsContact O-OG 3.11Å; I426-V430 HydrophobicContact CG2-CG2 4.25Å; I426-V430 WeakPolarHBondContact O-CB 3.36Å; I426-V430 VanDerWaalsContact O-CG2 3.29Å; I426-V430 WeakPolarHBondContact O-CG2 3.42Å; I426-V430 PolarHBondContact O-N 3.04Å
427	A	70.4	Confident	68	Low	61 Å²	61	105.8 Å²	105.8	50%	0.504	57%	0.566	S	S	.	*	H	α-helix	trans	-60.6	-41.7	177.1	0	0	0	0	0	112	H423 A431	H423-A427 VanDerWaalsContact O-CB 3.27Å; H423-A427 WeakPolarHBondContact O-CB 3.45Å; H423-A427 PolarHBondContact O-N 3.36Å; A427-A431 VanDerWaalsContact O-CB 3.26Å; A427-A431 WeakPolarHBondContact O-CB 3.2Å; A427-A431 PolarHBondContact O-N 3.38Å
428	G	75.4	Confident	70.2	Confident	42 Å²	42	101.1 Å²	101.1	43%	0.433	55%	0.554	S	S	.	*	H	α-helix	trans	-64.9	-44.5	176.3	0	0	0	0	0	113.3	K424 I425 I426 A431 L432	K424-G428 PolarHBondContact O-N 2.93Å; I425-G428 PolarHBondContact O-N 3.2Å; I426-G428 VanDerWaalsContact C-N 3.32Å; I426-G428 PolarHBondContact O-N 3.36Å; G428-A431 PolarHBondContact O-N 3.15Å; G428-L432 WeakPolarHBondContact O-CB 3.47Å; G428-L432 PolarHBondContact O-N 3.38Å
429	S	74.2	Confident	72.6	Confident	62 Å²	62	98.3 Å²	98.3	43%	0.434	54%	0.543	S	S	.	.	H	α-helix	trans	-69.8	-39.9	179.8	65.7	0	0	0	0	112.3	I425 I426 L432 F433	I425-S429 PolarHBondContact O-N 3.33Å; I425-S429 PolarHBondContact O-OG 3.43Å; I426-S429 PolarHBondContact O-N 2.86Å; I426-S429 PolarHBondContact O-OG 2.83Å; I426-S429 VanDerWaalsContact O-OG 3.11Å; S429-L432 PolarHBondContact O-N 3.28Å; S429-F433 WeakPolarHBondContact O-CB 3.31Å; S429-F433 PolarHBondContact O-N 2.92Å
430	V	83.3	Confident	74.4	Confident	75 Å²	75	95.3 Å²	95.3	46%	0.455	53%	0.532	S	S	.	.	H	α-helix	trans	-64.1	-43.6	173.8	171.8	0	0	0	0	111.2	I426 L432 F433 L434	I426-V430 HydrophobicContact CG2-CG2 4.25Å; I426-V430 WeakPolarHBondContact O-CB 3.36Å; I426-V430 VanDerWaalsContact O-CG2 3.29Å; I426-V430 WeakPolarHBondContact O-CG2 3.42Å; I426-V430 PolarHBondContact O-N 3.04Å; V430-L432 VanDerWaalsContact C-N 3.33Å; V430-L432 PolarHBondContact O-N 3.49Å; V430-F433 PolarHBondContact O-N 3.21Å; V430-L434 HydrophobicContact CG1-CD1 3.88Å; V430-L434 HydrophobicContact CG1-CG 4.32Å; V430-L434 WeakPolarHBondContact O-CB 3.42Å; V430-L434 WeakPolarHBondContact O-CG 3.49Å; V430-L434 PolarHBondContact O-N 3.07Å
431	A	77.3	Confident	75.8	Confident	58 Å²	58	95.2 Å²	95.2	48%	0.479	53%	0.528	S	S	.	.	H	α-helix	trans	-61.4	-41.1	175.6	0	0	0	0	0	112.2	A427 G428 S435	A427-A431 VanDerWaalsContact O-CB 3.26Å; A427-A431 WeakPolarHBondContact O-CB 3.2Å; A427-A431 PolarHBondContact O-N 3.38Å; G428-A431 PolarHBondContact O-N 3.15Å; A431-S435 WeakPolarHBondContact O-CB 3.4Å; A431-S435 PolarHBondContact O-N 3.35Å
432	L	84.9	Confident	77	Confident	119 Å²	119	96 Å²	96	62%	0.623	53%	0.529	S	S	*	.	H	α-helix	trans	-61.8	-48.1	173.8	-164.1	84.2	0	0	0	111	G428 S429 V430 L434 S435 V436	G428-L432 WeakPolarHBondContact O-CB 3.47Å; G428-L432 PolarHBondContact O-N 3.38Å; S429-L432 PolarHBondContact O-N 3.28Å; V430-L432 VanDerWaalsContact C-N 3.33Å; V430-L432 PolarHBondContact O-N 3.49Å; L432-L434 PolarHBondContact O-N 2.86Å; L432-S435 PolarHBondContact O-N 3.16Å; L432-S435 VanDerWaalsContact O-N 3.14Å; L432-S435 PolarHBondContact O-OG 2.67Å; L432-V436 WeakPolarHBondContact O-CG2 3.44Å; L432-V436 PolarHBondContact O-N 2.69Å
433	F	86.8	Confident	78.2	Confident	165 Å²	165	93.8 Å²	93.8	72%	0.724	52%	0.523	S	S	*	.	H	α-helix	trans	-61.8	-43.1	-178.8	-135.2	-84.4	0	0	0	112.1	S429 V430 V436 A437	S429-F433 WeakPolarHBondContact O-CB 3.31Å; S429-F433 PolarHBondContact O-N 2.92Å; V430-F433 PolarHBondContact O-N 3.21Å; F433-V436 PolarHBondContact O-N 3.07Å; F433-A437 VanDerWaalsContact O-CB 3.32Å; F433-A437 WeakPolarHBondContact O-CB 3.28Å; F433-A437 PolarHBondContact O-N 3.43Å
434	L	78.3	Confident	79.6	Confident	109 Å²	109	92.6 Å²	92.6	57%	0.571	51%	0.513	S	S	*	.	H	α-helix	trans	-64.3	-38.4	174.4	-70.2	171.9	0	0	0	111.9	V430 L432 A437 M438	V430-L434 HydrophobicContact CG1-CD1 3.88Å; V430-L434 HydrophobicContact CG1-CG 4.32Å; V430-L434 WeakPolarHBondContact O-CB 3.42Å; V430-L434 WeakPolarHBondContact O-CG 3.49Å; V430-L434 PolarHBondContact O-N 3.07Å; L432-L434 PolarHBondContact O-N 2.86Å; L434-A437 PolarHBondContact O-N 3.21Å; L434-M438 WeakPolarHBondContact O-CB 3.32Å; L434-M438 VanDerWaalsContact O-CG 3.31Å; L434-M438 WeakPolarHBondContact O-CG 3.48Å; L434-M438 PolarHBondContact O-N 3.39Å
435	S	86	Confident	80.7	Confident	55 Å²	55	88.2 Å²	88.2	39%	0.385	50%	0.499	S	S	.	.	H	α-helix	trans	-63.5	-42.5	175.7	80.7	0	0	0	0	112	A431 L432 M438 I439	A431-S435 WeakPolarHBondContact O-CB 3.4Å; A431-S435 PolarHBondContact O-N 3.35Å; L432-S435 PolarHBondContact O-N 3.16Å; L432-S435 VanDerWaalsContact O-N 3.14Å; L432-S435 PolarHBondContact O-OG 2.67Å; S435-M438 PolarHBondContact O-N 3.22Å; S435-I439 WeakPolarHBondContact O-CD1 3.32Å; S435-I439 VanDerWaalsContact O-CG1 3.28Å; S435-I439 WeakPolarHBondContact O-CG1 3.36Å; S435-I439 PolarHBondContact O-N 2.93Å
436	V	90.3	Very high	81.1	Confident	72 Å²	72	85.2 Å²	85.2	44%	0.436	49%	0.488	S	S	.	.	H	α-helix	trans	-68.8	-42.7	177.3	174.5	0	0	0	0	110.9	L432 F433 M438 I439 L440	L432-V436 WeakPolarHBondContact O-CG2 3.44Å; L432-V436 PolarHBondContact O-N 2.69Å; F433-V436 PolarHBondContact O-N 3.07Å; V436-M438 VanDerWaalsContact C-N 3.34Å; V436-M438 PolarHBondContact O-N 2.98Å; V436-I439 PolarHBondContact O-N 3.44Å; V436-L440 HydrophobicContact CG1-CD1 3.95Å; V436-L440 HydrophobicContact CG1-CG 4.37Å; V436-L440 WeakPolarHBondContact O-CB 3.34Å; V436-L440 WeakPolarHBondContact O-CG 3.49Å; V436-L440 PolarHBondContact O-N 3.46Å
437	A	85.2	Confident	81.2	Confident	48 Å²	48	89.8 Å²	89.8	40%	0.397	50%	0.501	S	S	.	.	H	α-helix	trans	-60.4	-41.8	175.4	0	0	0	0	0	112.1	F433 L434 L440 L441	F433-A437 VanDerWaalsContact O-CB 3.32Å; F433-A437 WeakPolarHBondContact O-CB 3.28Å; F433-A437 PolarHBondContact O-N 3.43Å; L434-A437 PolarHBondContact O-N 3.21Å; A437-L440 PolarHBondContact O-N 2.86Å; A437-L441 VanDerWaalsContact O-CB 3.31Å; A437-L441 WeakPolarHBondContact O-CB 3.22Å; A437-L441 PolarHBondContact O-N 3.45Å
438	M	82.7	Confident	81.3	Confident	116 Å²	116	94.1 Å²	94.1	57%	0.571	51%	0.508	S	S	*	.	H	α-helix	trans	-66.1	-39.8	175.1	-74.9	-65	-71.2	0	0	112.5	L434 S435 V436 L441 V442	L434-M438 WeakPolarHBondContact O-CB 3.32Å; L434-M438 VanDerWaalsContact O-CG 3.31Å; L434-M438 WeakPolarHBondContact O-CG 3.48Å; L434-M438 PolarHBondContact O-N 3.39Å; S435-M438 PolarHBondContact O-N 3.22Å; V436-M438 VanDerWaalsContact C-N 3.34Å; V436-M438 PolarHBondContact O-N 2.98Å; M438-L441 PolarHBondContact O-N 3.4Å; M438-L441 HydrophobicContact SD-CD2 4.3Å; M438-V442 WeakPolarHBondContact O-CG2 3.21Å; M438-V442 PolarHBondContact O-N 3.02Å
439	I	86.7	Confident	80.8	Confident	100 Å²	100	101 Å²	101	51%	0.513	52%	0.521	S	S	.	.	H	α-helix	trans	-63.3	-45.1	174.2	-70.5	163.6	0	0	0	110.8	S435 V436 V442 I443	S435-I439 WeakPolarHBondContact O-CD1 3.32Å; S435-I439 VanDerWaalsContact O-CG1 3.28Å; S435-I439 WeakPolarHBondContact O-CG1 3.36Å; S435-I439 PolarHBondContact O-N 2.93Å; V436-I439 PolarHBondContact O-N 3.44Å; I439-V442 PolarHBondContact O-N 2.93Å; I439-I443 HydrophobicContact CG2-CD1 3.8Å; I439-I443 VanDerWaalsContact O-CG1 3.29Å; I439-I443 WeakPolarHBondContact O-CG1 3.45Å; I439-I443 PolarHBondContact O-N 3.08Å
440	L	83.9	Confident	80.4	Confident	105 Å²	105	104.8 Å²	104.8	55%	0.55	53%	0.527	S	S	.	.	H	α-helix	trans	-65	-37.5	176.8	-70.3	173	0	0	0	112.2	V436 A437 I443 Y444	V436-L440 HydrophobicContact CG1-CD1 3.95Å; V436-L440 HydrophobicContact CG1-CG 4.37Å; V436-L440 WeakPolarHBondContact O-CB 3.34Å; V436-L440 WeakPolarHBondContact O-CG 3.49Å; V436-L440 PolarHBondContact O-N 3.46Å; A437-L440 PolarHBondContact O-N 2.86Å; L440-I443 PolarHBondContact O-N 3.15Å; L440-Y444 WeakPolarHBondContact O-CB 3.24Å; L440-Y444 PolarHBondContact O-N 3.37Å
441	L	84.6	Confident	79.8	Confident	96 Å²	96	104.9 Å²	104.9	50%	0.503	53%	0.529	S	S	.	.	H	α-helix	trans	-64.2	-45.5	173.9	-172.6	74.9	0	0	0	111.3	A437 M438 Y444 V445	A437-L441 VanDerWaalsContact O-CB 3.31Å; A437-L441 WeakPolarHBondContact O-CB 3.22Å; A437-L441 PolarHBondContact O-N 3.45Å; M438-L441 PolarHBondContact O-N 3.4Å; M438-L441 HydrophobicContact SD-CD2 4.3Å; L441-Y444 PolarHBondContact O-N 2.7Å; L441-V445 WeakPolarHBondContact O-CB 3.42Å; L441-V445 VanDerWaalsContact O-CG2 3.29Å; L441-V445 WeakPolarHBondContact O-CG2 3.21Å; L441-V445 PolarHBondContact O-N 3.45Å
442	V	81.3	Confident	79	Confident	86 Å²	86	105.7 Å²	105.7	52%	0.521	54%	0.536	S	S	.	.	H	α-helix	trans	-61	-44.6	175.2	168.5	0	0	0	0	110.6	M438 I439 V445 S446	M438-V442 WeakPolarHBondContact O-CG2 3.21Å; M438-V442 PolarHBondContact O-N 3.02Å; I439-V442 PolarHBondContact O-N 2.93Å; V442-V445 PolarHBondContact O-N 3.14Å; V442-S446 WeakPolarHBondContact O-CB 3.43Å; V442-S446 PolarHBondContact O-N 2.99Å; V442-S446 PolarHBondContact O-OG 2.03Å
443	I	80.8	Confident	77.9	Confident	92 Å²	92	103.1 Å²	103.1	47%	0.472	53%	0.528	S	S	.	.	H	α-helix	trans	-60	-49.1	175.2	-70.2	163	0	0	0	110.9	I439 L440 V445 S446 W447	I439-I443 HydrophobicContact CG2-CD1 3.8Å; I439-I443 VanDerWaalsContact O-CG1 3.29Å; I439-I443 WeakPolarHBondContact O-CG1 3.45Å; I439-I443 PolarHBondContact O-N 3.08Å; L440-I443 PolarHBondContact O-N 3.15Å; I443-V445 PolarHBondContact O-N 2.71Å; I443-S446 PolarHBondContact O-N 3Å; I443-W447 WeakPolarHBondContact O-CB 3.33Å; I443-W447 PolarHBondContact O-N 3.29Å
444	Y	85.1	Confident	76.8	Confident	130 Å²	130	98.6 Å²	98.6	51%	0.51	51%	0.51	S	S	.	.	H	α-helix	trans	-59.7	-45.7	178.9	177.3	-94.4	0	0	0	112.2	L440 L441 W447 K448	L440-Y444 WeakPolarHBondContact O-CB 3.24Å; L440-Y444 PolarHBondContact O-N 3.37Å; L441-Y444 PolarHBondContact O-N 2.7Å; Y444-W447 PolarHBondContact O-N 3.16Å; Y444-K448 HydrophobicContact CE1-CD 3.75Å; Y444-K448 VanDerWaalsContact O-CB 3.29Å; Y444-K448 WeakPolarHBondContact O-CB 3.47Å; Y444-K448 PolarHBondContact O-N 2.64Å; Y444-K448 PolarHBondContact OH-NZ 2.76Å
445	V	79.6	Confident	76.2	Confident	68 Å²	68	99.9 Å²	99.9	41%	0.412	51%	0.511	S	S	.	.	H	α-helix	trans	-65.4	-41.1	177.1	171.7	0	0	0	0	111	L441 V442 I443 K448 R449	L441-V445 WeakPolarHBondContact O-CB 3.42Å; L441-V445 VanDerWaalsContact O-CG2 3.29Å; L441-V445 WeakPolarHBondContact O-CG2 3.21Å; L441-V445 PolarHBondContact O-N 3.45Å; V442-V445 PolarHBondContact O-N 3.14Å; I443-V445 PolarHBondContact O-N 2.71Å; V445-K448 PolarHBondContact O-N 3.29Å; V445-R449 WeakPolarHBondContact O-CB 3.46Å; V445-R449 PolarHBondContact O-N 2.88Å
446	S	76.6	Confident	75.2	Confident	52 Å²	52	103.1 Å²	103.1	36%	0.364	52%	0.52	S	S	.	.	H	α-helix	trans	-62.4	-42	173.7	-66.2	0	0	0	0	112.3	V442 I443 Y450	V442-S446 WeakPolarHBondContact O-CB 3.43Å; V442-S446 PolarHBondContact O-N 2.99Å; V442-S446 PolarHBondContact O-OG 2.03Å; I443-S446 PolarHBondContact O-N 3Å; S446-Y450 PolarHBondContact O-N 3.41Å
447	W	71.7	Confident	74	Confident	175 Å²	175	105.4 Å²	105.4	66%	0.663	53%	0.529	S	S	*	.	H	α-helix	trans	-63.5	-45.4	176.6	-129.5	50.8	0	0	0	111.9	I443 Y444	I443-W447 WeakPolarHBondContact O-CB 3.33Å; I443-W447 PolarHBondContact O-N 3.29Å; Y444-W447 PolarHBondContact O-N 3.16Å
448	K	72.8	Confident	73	Confident	151 Å²	151	109 Å²	109	66%	0.657	54%	0.538	S	S	*	.	H	α-helix	trans	-75.5	-28.1	-177	-164.6	170.7	-170.3	173.3	0	113.4	Y444 V445	Y444-K448 HydrophobicContact CE1-CD 3.75Å; Y444-K448 VanDerWaalsContact O-CB 3.29Å; Y444-K448 WeakPolarHBondContact O-CB 3.47Å; Y444-K448 PolarHBondContact O-N 2.64Å; Y444-K448 PolarHBondContact OH-NZ 2.76Å; V445-K448 PolarHBondContact O-N 3.29Å
449	R	65.8	Low	72.4	Confident	186 Å²	186	109 Å²	109	70%	0.702	54%	0.536	S	S	*	.	H	α-helix	trans	-102.5	-20.8	-174.9	-155.7	163.9	-172.6	146.9	1.6	114.5	V445	V445-R449 WeakPolarHBondContact O-CB 3.46Å; V445-R449 PolarHBondContact O-N 2.88Å
450	Y	65.6	Low	71.5	Confident	143 Å²	143	110.7 Å²	110.7	56%	0.561	54%	0.541	S	S	*	.			trans	-137.3	60.4	179.5	-60.7	-72.6	0	0	0	113.9	S446 A452 S453	S446-Y450 PolarHBondContact O-N 3.41Å; Y450-A452 PolarHBondContact O-N 2.84Å; Y450-S453 PolarHBondContact O-N 3.31Å
451	P	69.1	Low	70.8	Confident	76 Å²	76	109 Å²	109	49%	0.494	54%	0.538	S	S	.	.	H	α-helix	trans	-64.1	-23.2	-177.7	26.4	-35.6	0	0	0	114.3	K455	P451-K455 WeakPolarHBondContact O-CG 3.3Å; P451-K455 PolarHBondContact O-N 3.2Å
452	A	61.6	Low	70.2	Confident	76 Å²	76	109.2 Å²	109.2	63%	0.628	54%	0.539	S	S	*	.	H	α-helix	trans	-69.8	-48.5	176.5	0	0	0	0	0	112.2	Y450 M454 K455 Q456	Y450-A452 PolarHBondContact O-N 2.84Å; A452-M454 VanDerWaalsContact C-N 3.31Å; A452-M454 PolarHBondContact O-N 3.39Å; A452-K455 WeakPolarHBondContact O-CB 3.15Å; A452-K455 PolarHBondContact O-N 2.84Å; A452-Q456 PolarHBondContact O-N 3.31Å; A452-Q456 VanDerWaalsContact O-N 3.12Å
453	S	62.4	Low	69.7	Low	64 Å²	64	110.5 Å²	110.5	45%	0.448	54%	0.541	S	S	.	.	H	α-helix	trans	-62.9	-36.7	-177.4	-43.7	0	0	0	0	112.3	Y450 Q456 L457	Y450-S453 PolarHBondContact O-N 3.31Å; S453-Q456 WeakPolarHBondContact O-CB 3.32Å; S453-Q456 PolarHBondContact O-N 2.88Å; S453-L457 PolarHBondContact O-N 3.2Å; S453-L457 VanDerWaalsContact O-N 3.07Å
454	M	63.3	Low	69.1	Low	71 Å²	71	114.2 Å²	114.2	35%	0.35	55%	0.554	S	S	.	*	H	α-helix	trans	-69.2	-36.1	176.4	-71.3	-62.9	-72	0	0	112.8	A452 Q456 L457 Q458	A452-M454 VanDerWaalsContact C-N 3.31Å; A452-M454 PolarHBondContact O-N 3.39Å; M454-Q456 VanDerWaalsContact C-N 3.31Å; M454-Q456 PolarHBondContact O-N 3.47Å; M454-L457 PolarHBondContact O-N 3.43Å; M454-Q458 PolarHBondContact O-N 3.27Å
455	K	66.3	Low	68.5	Low	136 Å²	136	117.6 Å²	117.6	59%	0.591	57%	0.566	S	S	*	*	H	α-helix	trans	-62.6	-39.5	171.3	-73.3	176.2	179.8	-176.9	0	111.3	P451 A452 L457 Q458 Q459	P451-K455 WeakPolarHBondContact O-CG 3.3Å; P451-K455 PolarHBondContact O-N 3.2Å; A452-K455 WeakPolarHBondContact O-CB 3.15Å; A452-K455 PolarHBondContact O-N 2.84Å; K455-L457 VanDerWaalsContact C-N 3.34Å; K455-L457 PolarHBondContact O-N 3.23Å; K455-Q458 PolarHBondContact O-N 2.74Å; K455-Q459 WeakPolarHBondContact O-CG 2.95Å; K455-Q459 PolarHBondContact O-N 2.94Å
456	Q	64.2	Low	67.8	Low	122 Å²	122	123.9 Å²	123.9	57%	0.57	58%	0.582	S	S	*	*	H	α-helix	trans	-64.4	-37.1	176.2	-157.2	174.7	16.6	0	0	112	A452 S453 M454 Q459 H460	A452-Q456 PolarHBondContact O-N 3.31Å; A452-Q456 VanDerWaalsContact O-N 3.12Å; S453-Q456 WeakPolarHBondContact O-CB 3.32Å; S453-Q456 PolarHBondContact O-N 2.88Å; M454-Q456 VanDerWaalsContact C-N 3.31Å; M454-Q456 PolarHBondContact O-N 3.47Å; Q456-Q459 PolarHBondContact O-N 2.66Å; Q456-H460 PolarHBondContact O-N 2.9Å
457	L	64.1	Low	67.2	Low	120 Å²	120	130.6 Å²	130.6	63%	0.628	60%	0.599	S	S	*	*	H	α-helix	trans	-66.1	-42	174.1	-137.1	85.4	0	0	0	112.5	S453 M454 K455 H460 S461	S453-L457 PolarHBondContact O-N 3.2Å; S453-L457 VanDerWaalsContact O-N 3.07Å; M454-L457 PolarHBondContact O-N 3.43Å; K455-L457 VanDerWaalsContact C-N 3.34Å; K455-L457 PolarHBondContact O-N 3.23Å; L457-H460 PolarHBondContact O-N 3.24Å; L457-S461 PolarHBondContact O-N 2.92Å
458	Q	65.7	Low	67	Low	125 Å²	125	128.7 Å²	128.7	58%	0.584	60%	0.596	S	S	*	*	H	α-helix	trans	-64.5	-39.5	172.5	-81.5	-176.2	-35.9	0	0	112.3	M454 K455 H460 S461 L462	M454-Q458 PolarHBondContact O-N 3.27Å; K455-Q458 PolarHBondContact O-N 2.74Å; Q458-H460 VanDerWaalsContact C-N 3.35Å; Q458-H460 PolarHBondContact O-N 2.9Å; Q458-S461 PolarHBondContact O-N 3.48Å; Q458-S461 PolarHBondContact O-OG 3.37Å; Q458-S461 VanDerWaalsContact O-OG 3.06Å; Q458-L462 WeakPolarHBondContact O-CB 3.49Å; Q458-L462 VanDerWaalsContact O-CG 3.29Å; Q458-L462 WeakPolarHBondContact O-CG 3.4Å; Q458-L462 PolarHBondContact O-N 3.01Å
459	Q	69.4	Low	66.8	Low	116 Å²	116	128.7 Å²	128.7	54%	0.542	60%	0.596	S	S	.	*	H	α-helix	trans	-62	-42	173.3	-75.2	172.9	-16.4	0	0	111.4	K455 Q456 L462 M463	K455-Q459 WeakPolarHBondContact O-CG 2.95Å; K455-Q459 PolarHBondContact O-N 2.94Å; Q456-Q459 PolarHBondContact O-N 2.66Å; Q459-L462 PolarHBondContact O-N 3.49Å; Q459-M463 WeakPolarHBondContact O-CB 3.46Å; Q459-M463 WeakPolarHBondContact O-CG 3.47Å; Q459-M463 PolarHBondContact O-N 3.35Å
460	H	67.1	Low	66.6	Low	134 Å²	134	122.2 Å²	122.2	62%	0.62	58%	0.582	S	S	*	*	H	α-helix	trans	-62.7	-41.8	175.1	-102.8	-113.4	0	0	0	113.1	Q456 L457 Q458 K464	Q456-H460 PolarHBondContact O-N 2.9Å; L457-H460 PolarHBondContact O-N 3.24Å; Q458-H460 VanDerWaalsContact C-N 3.35Å; Q458-H460 PolarHBondContact O-N 2.9Å; H460-K464 WeakPolarHBondContact O-CB 3.45Å; H460-K464 PolarHBondContact O-N 2.99Å
461	S	69.6	Low	66.3	Low	69 Å²	69	123.9 Å²	123.9	48%	0.483	59%	0.587	S	S	.	*	H	α-helix	trans	-70.1	-38.3	177.9	71.1	0	0	0	0	112.3	L457 Q458 K464 R465	L457-S461 PolarHBondContact O-N 2.92Å; Q458-S461 PolarHBondContact O-N 3.48Å; Q458-S461 PolarHBondContact O-OG 3.37Å; Q458-S461 VanDerWaalsContact O-OG 3.06Å; S461-K464 PolarHBondContact O-N 3.44Å; S461-R465 PolarHBondContact O-N 3.48Å
462	L	72.5	Confident	65.7	Low	101 Å²	101	124.2 Å²	124.2	53%	0.529	58%	0.582	S	S	.	*	H	α-helix	trans	-66.3	-42.2	173.1	-72.7	169.4	0	0	0	112.4	Q458 Q459 R465 R466	Q458-L462 WeakPolarHBondContact O-CB 3.49Å; Q458-L462 VanDerWaalsContact O-CG 3.29Å; Q458-L462 WeakPolarHBondContact O-CG 3.4Å; Q458-L462 PolarHBondContact O-N 3.01Å; Q459-L462 PolarHBondContact O-N 3.49Å; L462-R465 PolarHBondContact O-N 2.98Å; L462-R466 WeakPolarHBondContact O-CG 3.03Å; L462-R466 PolarHBondContact O-N 2.93Å
463	M	70.9	Confident	65.2	Low	113 Å²	113	123.5 Å²	123.5	56%	0.557	57%	0.573	S	S	*	*	H	α-helix	trans	-63.9	-38.8	172.7	-76.2	-163.3	-169.9	0	0	111.9	Q459 R466 R467	Q459-M463 WeakPolarHBondContact O-CB 3.46Å; Q459-M463 WeakPolarHBondContact O-CG 3.47Å; Q459-M463 PolarHBondContact O-N 3.35Å; M463-R466 PolarHBondContact O-N 2.9Å; M463-R467 WeakPolarHBondContact O-CB 3.04Å; M463-R467 WeakPolarHBondContact O-CG 3.42Å; M463-R467 PolarHBondContact O-N 3.38Å
464	K	68	Low	64.7	Low	170 Å²	170	126.3 Å²	126.3	74%	0.739	58%	0.579	S	S	*	*	H	α-helix	trans	-65.8	-38.6	175.7	-162.6	173.2	-175.6	179.7	0	111.6	H460 S461 K468	H460-K464 WeakPolarHBondContact O-CB 3.45Å; H460-K464 PolarHBondContact O-N 2.99Å; S461-K464 PolarHBondContact O-N 3.44Å; K464-K468 PolarHBondContact O-N 2.98Å
465	R	71.4	Confident	64.2	Low	202 Å²	202	133 Å²	133	76%	0.762	60%	0.6	S	S	*	*	H	α-helix	trans	-63.6	-47.1	169.7	-98.3	-177	167.4	178.6	-4.2	112.3	S461 L462 K468 K469	S461-R465 PolarHBondContact O-N 3.48Å; L462-R465 PolarHBondContact O-N 2.98Å; R465-K468 PolarHBondContact O-N 3.23Å; R465-K469 PolarHBondContact O-N 2.92Å
466	R	66.3	Low	63.4	Low	200 Å²	200	134 Å²	134	76%	0.755	61%	0.607	S	S	*	*	H	α-helix	trans	-60.7	-44.2	176.9	-75.2	-177.4	178	-170.7	-0.8	112	L462 M463 K468 K469 A470	L462-R466 WeakPolarHBondContact O-CG 3.03Å; L462-R466 PolarHBondContact O-N 2.93Å; M463-R466 PolarHBondContact O-N 2.9Å; R466-K468 PolarHBondContact O-N 3.11Å; R466-K469 PolarHBondContact O-N 3.36Å; R466-A470 WeakPolarHBondContact O-CB 3.42Å; R466-A470 PolarHBondContact O-N 3.41Å
467	R	64.4	Low	62.5	Low	192 Å²	192	135.6 Å²	135.6	73%	0.725	62%	0.616	S	S	*	*	H	α-helix	trans	-64.5	-33	175	-76.3	-177	175.8	-178.8	-0.5	113.4	M463 R471	M463-R467 WeakPolarHBondContact O-CB 3.04Å; M463-R467 WeakPolarHBondContact O-CG 3.42Å; M463-R467 PolarHBondContact O-N 3.38Å; R467-R471 WeakPolarHBondContact O-CG 3.45Å; R467-R471 PolarHBondContact O-N 3.43Å
468	K	66.5	Low	61.5	Low	135 Å²	135	137 Å²	137	59%	0.587	62%	0.624	S	S	*	*	H	α-helix	trans	-67.3	-49.7	171.9	-165.4	-178	-171.9	-98.3	0	110.7	K464 R465 R466 A470 R471 E472	K464-K468 PolarHBondContact O-N 2.98Å; R465-K468 PolarHBondContact O-N 3.23Å; R466-K468 PolarHBondContact O-N 3.11Å; K468-A470 PolarHBondContact O-N 2.92Å; K468-R471 PolarHBondContact O-N 2.84Å; K468-E472 WeakPolarHBondContact CE-OE1 3.47Å; K468-E472 IonicContact NZ-OE1 2.67Å; K468-E472 PolarHBondContact NZ-OE1 2.94Å; K468-E472 WeakPolarHBondContact O-CG 3.1Å; K468-E472 PolarHBondContact O-N 2.85Å; K468-E472 VanDerWaalsContact O-N 3.07Å
469	K	68	Low	60.4	Low	152 Å²	152	135.9 Å²	135.9	66%	0.661	63%	0.63	S	S	*	*	H	α-helix	trans	-63.8	-38.5	-178.4	-149.9	178.7	-174	-171.6	0	112.7	R465 R466 E472 S473	R465-K469 PolarHBondContact O-N 2.92Å; R466-K469 PolarHBondContact O-N 3.36Å; K469-E472 WeakPolarHBondContact CA-OE2 3.26Å; K469-E472 WeakPolarHBondContact O-CB 3.37Å; K469-E472 PolarHBondContact O-N 3.36Å; K469-S473 PolarHBondContact O-N 2.95Å; K469-S473 PolarHBondContact O-OG 3.11Å
470	A	62.6	Low	58.9	Low	50 Å²	50	135.2 Å²	135.2	41%	0.413	64%	0.636	S	S	.	*	H	α-helix	trans	-61.4	-43.6	174.1	0	0	0	0	0	112.5	R466 K468 E472 S473 E474	R466-A470 WeakPolarHBondContact O-CB 3.42Å; R466-A470 PolarHBondContact O-N 3.41Å; K468-A470 PolarHBondContact O-N 2.92Å; A470-E472 VanDerWaalsContact C-N 3.25Å; A470-E472 PolarHBondContact O-N 3.19Å; A470-S473 WeakPolarHBondContact O-CB 3.39Å; A470-S473 PolarHBondContact O-N 3.4Å; A470-S473 VanDerWaalsContact O-N 3.1Å; A470-E474 WeakPolarHBondContact O-CG 3.27Å; A470-E474 PolarHBondContact O-N 3.49Å
471	R	59.4	Low	57.5	Low	178 Å²	178	136.1 Å²	136.1	67%	0.672	65%	0.645	S	S	*	*	H	α-helix	trans	-67.5	-23.7	175	-75.6	177.4	169.2	-169.2	-5.1	113.9	R467 K468 E474 R475	R467-R471 WeakPolarHBondContact O-CG 3.45Å; R467-R471 PolarHBondContact O-N 3.43Å; K468-R471 PolarHBondContact O-N 2.84Å; R471-E474 WeakPolarHBondContact CA-OE2 3.29Å; R471-R475 WeakPolarHBondContact O-CD 3.32Å; R471-R475 VanDerWaalsContact O-CG 3.3Å; R471-R475 WeakPolarHBondContact O-CG 3.47Å; R471-R475 PolarHBondContact O-N 3.26Å
472	E	56.7	Low	55.8	Low	82 Å²	82	142 Å²	142	38%	0.383	66%	0.664	S	S	.	*	H	α-helix	trans	-75.2	-38.5	170.9	-70.8	158.9	169.7	0	0	110.1	K468 K469 A470 R475 Q476	K468-E472 WeakPolarHBondContact CE-OE1 3.47Å; K468-E472 IonicContact NZ-OE1 2.67Å; K468-E472 PolarHBondContact NZ-OE1 2.94Å; K468-E472 WeakPolarHBondContact O-CG 3.1Å; K468-E472 PolarHBondContact O-N 2.85Å; K468-E472 VanDerWaalsContact O-N 3.07Å; K469-E472 WeakPolarHBondContact CA-OE2 3.26Å; K469-E472 WeakPolarHBondContact O-CB 3.37Å; K469-E472 PolarHBondContact O-N 3.36Å; A470-E472 VanDerWaalsContact C-N 3.25Å; A470-E472 PolarHBondContact O-N 3.19Å; E472-R475 PolarHBondContact O-N 3.29Å; E472-Q476 PolarHBondContact O-N 3.34Å
473	S	51.5	Low	53.8	Low	62 Å²	62	145.5 Å²	145.5	43%	0.434	68%	0.678	S	S	.	*	H	α-helix	trans	-67.7	-45.3	173.1	-55.9	0	0	0	0	114	K469 A470 R475 Q476 M477	K469-S473 PolarHBondContact O-N 2.95Å; K469-S473 PolarHBondContact O-OG 3.11Å; A470-S473 WeakPolarHBondContact O-CB 3.39Å; A470-S473 PolarHBondContact O-N 3.4Å; A470-S473 VanDerWaalsContact O-N 3.1Å; S473-R475 PolarHBondContact O-N 2.9Å; S473-Q476 PolarHBondContact O-N 2.81Å; S473-M477 PolarHBondContact O-N 2.94Å; S473-M477 VanDerWaalsContact O-N 3.16Å
474	E	51.6	Low	51.8	Low	122 Å²	122	150.4 Å²	150.4	57%	0.57	69%	0.692	S	S	*	*	H	α-helix	trans	-56.9	-36.9	175.7	-72	172.2	135.3	0	0	111.5	A470 R471 Q476 N478	A470-E474 WeakPolarHBondContact O-CG 3.27Å; A470-E474 PolarHBondContact O-N 3.49Å; R471-E474 WeakPolarHBondContact CA-OE2 3.29Å; E474-Q476 VanDerWaalsContact C-N 3.32Å; E474-Q476 PolarHBondContact O-N 2.84Å; E474-N478 PolarHBondContact O-N 3.36Å
475	R	52.6	Low	49.9	Very low	212 Å²	212	153.2 Å²	153.2	80%	0.8	70%	0.7	S	S	*	*	H	α-helix	trans	-71.7	-21.1	176.3	-78.6	178	167.7	-154.7	-7.4	114.3	R471 E472 S473	R471-R475 WeakPolarHBondContact O-CD 3.32Å; R471-R475 VanDerWaalsContact O-CG 3.3Å; R471-R475 WeakPolarHBondContact O-CG 3.47Å; R471-R475 PolarHBondContact O-N 3.26Å; E472-R475 PolarHBondContact O-N 3.29Å; S473-R475 PolarHBondContact O-N 2.9Å
476	Q	48.6	Very low	48	Very low	158 Å²	158	149.2 Å²	149.2	74%	0.738	70%	0.697	S	S	*	*	H	α-helix	trans	-88.5	-26.1	175.5	-71.1	-175.4	-60.6	0	0	112.9	E472 S473 E474	E472-Q476 PolarHBondContact O-N 3.34Å; S473-Q476 PolarHBondContact O-N 2.81Å; E474-Q476 VanDerWaalsContact C-N 3.32Å; E474-Q476 PolarHBondContact O-N 2.84Å
477	M	44.5	Very low	46.1	Very low	154 Å²	154	146 Å²	146	76%	0.759	70%	0.695	S	S	*	*	H	α-helix	trans	-79.5	-32.9	178.5	-83.1	-176.7	152.9	0	0	114.2	S473 S479 P480	S473-M477 PolarHBondContact O-N 2.94Å; S473-M477 VanDerWaalsContact O-N 3.16Å; M477-S479 PolarHBondContact O-N 2.81Å; M477-S479 VanDerWaalsContact O-N 3.15Å; M477-P480 WeakPolarHBondContact O-CD 3.34Å
478	N	43.4	Very low	44.2	Very low	149 Å²	149	147.4 Å²	147.4	80%	0.797	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	22.2	-174.9	-73.5	12.6	0	0	0	114.9	E474	E474-N478 PolarHBondContact O-N 3.36Å
479	S	42.3	Very low	42.3	Very low	102 Å²	102	149 Å²	149	71%	0.713	71%	0.709	S	S	*	*	S	Bend	trans	-99.2	-22.2	-173	-161.7	0	0	0	0	117.7	M477	M477-S479 PolarHBondContact O-N 2.81Å; M477-S479 VanDerWaalsContact O-N 3.15Å
480	P	39.7	Very low	40.8	Very low	102 Å²	102	147.2 Å²	147.2	66%	0.662	71%	0.713	S	S	*	*	S	Bend	trans	-120.3	21.1	-173.8	41.9	-32.5	0	0	0	115.6	M477	M477-P480 WeakPolarHBondContact O-CD 3.34Å
481	L	36.5	Very low	39	Very low	153 Å²	153	150.8 Å²	150.8	80%	0.801	73%	0.73	S	S	*	*			trans	-135.8	60.6	-175.1	-76	175.7	0	0	0	114
482	Q	33.5	Very low	37.4	Very low	192 Å²	192	150.1 Å²	150.1	90%	0.897	74%	0.739	S	S	*	*			trans	-154	34.6	159	-151.7	71.1	76.9	0	0	113.8
483	E	32.3	Very low	36	Very low	175 Å²	175	151.7 Å²	151.7	82%	0.818	76%	0.76	S	S	*	*			trans	-98	165.3	159.7	-71.5	-170.3	132.9	0	0	110.1
484	Y	28.6	Very low	34.9	Very low	216 Å²	216	157.5 Å²	157.5	85%	0.847	78%	0.78	S	S	*	*			trans	67.6	83.9	-175.2	-62.1	-91	0	0	0	117.2
485	Y	26.9	Very low	33.7	Very low	230 Å²	230	157.9 Å²	157.9	90%	0.902	79%	0.791	S	S	*	*				-154.2	170.9	107.6	-135.8	-101.8	0	0	0	112.2
486	V	32	Very low	32.4	Very low	117 Å²	117	156.1 Å²	156.1	71%	0.709	79%	0.794	S	S	*	*			trans	-116.7	138.7	-151.2	176.9	0	0	0	0	115
487	D	27.3	Very low	31.4	Very low	132 Å²	132	155.3 Å²	155.3	71%	0.706	79%	0.794	S	S	*	*			trans	12.6	136	152.7	-157.1	10	0	0	0	122
488	Y	23.8	Very low	30.6	Very low	222 Å²	222	156.3 Å²	156.3	87%	0.871	80%	0.801	S	S	*	*			trans	-153.8	135.2	147.9	-148.1	-100	0	0	0	113.1
489	K	26.1	Very low	29.7	Very low	168 Å²	168	154 Å²	154	73%	0.73	80%	0.796	S	S	*	*			trans	-126.5	169.9	171.6	-96.3	-177.3	178.3	176.1	0	108.3
490	P	35.8	Very low	29.1	Very low	115 Å²	115	154.7 Å²	154.7	75%	0.747	80%	0.796	S	S	*	*			cis	-116.1	-150.4	15.4	24.3	1.8	0	0	0	110.6
491	T	26	Very low	28.5	Very low	126 Å²	126	157.5 Å²	157.5	77%	0.773	81%	0.806	S	S	*	*			cis	-142.4	175.2	13.7	49.4	0	0	0	0	112.3
492	N	26.3	Very low	28	Very low	163 Å²	163	153 Å²	153	87%	0.872	80%	0.796	S	S	*	*			trans	-112.9	138	177	-60.5	-29.2	0	0	0	112.4
493	S	26.4	Very low	27.8	Very low	115 Å²	115	150.2 Å²	150.2	80%	0.804	80%	0.798	S	S	*	*			trans	-178	146.6	137.6	57.8	0	0	0	0	107.4
494	E	28.7	Very low	27.5	Very low	184 Å²	184	145.2 Å²	145.2	86%	0.86	79%	0.794	S	S	*	*			cis	-136	146.4	19.5	-64.9	170.6	140.5	0	0	112.2
495	T	27.1	Very low	27.8	Very low	130 Å²	130	141 Å²	141	80%	0.798	79%	0.792	S	S	*	*			trans	-87.5	157.3	144.4	46.4	0	0	0	0	107.5
496	M	25.1	Very low	27.7	Very low	175 Å²	175	136.6 Å²	136.6	86%	0.862	79%	0.794	S	S	*	*				-172.1	164.1	56.9	-166.1	159.1	176	0	0	111.9
497	D	27.5	Very low	27.5	Very low	141 Å²	141	137 Å²	137	75%	0.754	80%	0.796	S	S	*	*			trans	-68.8	165.9	176.6	-53	-95.6	0	0	0	114.5
498	I	27	Very low	27.5	Very low	176 Å²	176	141.7 Å²	141.7	90%	0.903	81%	0.806	S	S	*	*				-154.9	155.3	128.3	-101.7	152.5	0	0	0	108.7
499	S	25.5	Very low	27.7	Very low	99 Å²	99	136.5 Å²	136.5	69%	0.692	80%	0.797	S	S	*	*			trans	-153.2	179.2	-168.2	58.5	0	0	0	0	113.2
500	V	28.4	Very low	27.8	Very low	117 Å²	117	136.2 Å²	136.2	71%	0.709	80%	0.802	S	S	*	*			trans	90.6	139.3	163.8	-179.6	0	0	0	0	118.3
501	N	26.8	Very low	27.3	Very low	162 Å²	162	136.6 Å²	136.6	87%	0.866	81%	0.807	S	S	*	*			trans	66.9	143.6	172.4	-67.4	-19.6	0	0	0	119
502	G	26	Very low	27.3	Very low	58 Å²	58	134.3 Å²	134.3	60%	0.598	81%	0.809	S	S	*	*			cis	164	158.5	-10.3	0	0	0	0	0	114.8
503	S	29	Very low	27.3	Very low	133 Å²	133	131.6 Å²	131.6	93%	0.93	80%	0.803	S	S	*	*			trans	69.9	162	173	81.4	0	0	0	0	118.6
504	G	27.8	Very low	27.2	Very low	71 Å²	71	137.9 Å²	137.9	73%	0.732	81%	0.809	S	S	*	*			trans	102.8	109.5	168.7	0	0	0	0	0	116.9
505	P	33.3	Very low	27.1	Very low	127 Å²	127	137.6 Å²	137.6	83%	0.825	81%	0.808	S	S	*	*			trans	-95.6	148.9	172.4	36.4	-31.9	0	0	0	113
506	C	26.7	Very low	27	Very low	137 Å²	137	137 Å²	137	93%	0.926	81%	0.807	S	S	*	*			trans	-137.6	111.4	166.8	-83.5	0	0	0	0	111.5
507	T	26.6	Very low	27	Very low	125 Å²	125	137.4 Å²	137.4	77%	0.767	81%	0.807	S	S	*	*			trans	-86.6	143.6	162	47.9	0	0	0	0	110
508	Y	28.3	Very low	27	Very low	232 Å²	232	138.4 Å²	138.4	91%	0.91	81%	0.805	S	S	*	*			trans	-157.4	165.1	145.8	-105	-65.3	0	0	0	111.6
509	T	26.4	Very low	27.1	Very low	112 Å²	112	136.2 Å²	136.2	69%	0.687	80%	0.802	S	S	*	*			trans	-135.2	137.5	-159.5	51.8	0	0	0	0	114.3
510	I	28.5	Very low	27.2	Very low	163 Å²	163	138.2 Å²	138.2	84%	0.836	80%	0.8	S	S	*	*			trans	52.9	133.4	133.6	-64.1	174.1	0	0	0	120.4
511	S	26	Very low	28.3	Very low	122 Å²	122	137.4 Å²	137.4	85%	0.853	80%	0.798	S	S	*	*			trans	81.2	152.2	160.8	-159	0	0	0	0	117.9
512	G	26.4	Very low	28.2	Very low	78 Å²	78	141.6 Å²	141.6	80%	0.804	80%	0.801	S	S	*	*			trans	149.4	33.3	-178	0	0	0	0	0	116.2
513	S	25.3	Very low	28.3	Very low	107 Å²	107	142.7 Å²	142.7	75%	0.748	81%	0.805	S	S	*	*			trans	-72.7	138.6	-179.1	48.5	0	0	0	0	114.5
514	R	25.6	Very low	28.3	Very low	246 Å²	246	142.6 Å²	142.6	93%	0.928	80%	0.798	S	S	*	*			trans	-167	159.1	132.7	-115.3	172.4	177.4	163.7	-0.7	114.5
515	E	25.3	Very low	28.2	Very low	178 Å²	178	146.7 Å²	146.7	83%	0.832	80%	0.804	S	S	*	*			trans	-99.2	156.9	178.7	-58.8	132.7	124	0	0	112.4
516	C	24.8	Very low	28	Very low	117 Å²	117	144.2 Å²	144.2	79%	0.791	80%	0.801	S	S	*	*			trans	-176	109.5	140.2	-91.2	0	0	0	0	105.6
517	E	25.5	Very low	28.1	Very low	185 Å²	185	147.8 Å²	147.8	86%	0.864	80%	0.801	S	S	*	*				89	127.9	73.5	-171.6	161.7	-126.3	0	0	112
518	K	27.6	Very low	28	Very low	161 Å²	161	147.7 Å²	147.7	70%	0.7	80%	0.803	S	S	*	*			trans	-87.9	155.7	-175.6	-81.7	-170.3	173.7	-171.9	0	111.6	E520	K518-E520 IonicContact NZ-OE1 2.93Å; K518-E520 PolarHBondContact NZ-OE1 2.63Å
519	P	30.5	Very low	27.8	Very low	130 Å²	130	145.8 Å²	145.8	84%	0.844	80%	0.8	S	S	*	*				-125.3	161.7	123.4	35.8	-30.5	0	0	0	114.2
520	E	27.4	Very low	27.7	Very low	141 Å²	141	152.4 Å²	152.4	66%	0.659	81%	0.813	S	S	*	*			trans	-147.8	164.5	179.7	-108.6	-175.3	-121.8	0	0	107.6	K518	K518-E520 IonicContact NZ-OE1 2.93Å; K518-E520 PolarHBondContact NZ-OE1 2.63Å
521	P	49.7	Very low	27.5	Very low	100 Å²	100	151.5 Å²	151.5	65%	0.649	81%	0.808	S	S	*	*			cis	-130.9	170.9	-47.7	33.3	-16.1	0	0	0	112
522	R	26.3	Very low	27.5	Very low	250 Å²	250	150.7 Å²	150.7	94%	0.943	80%	0.802	S	S	*	*			trans	153.9	154.3	157.5	-87.3	153.3	-167.8	-159.3	5.8	109.1
523	A	26.6	Very low	27.4	Very low	82 Å²	82	155 Å²	155	68%	0.678	81%	0.806	S	S	*	*			cis	-170.5	166.9	-27.3	0	0	0	0	0	108.6
524	V	28.9	Very low	27.4	Very low	130 Å²	130	158.4 Å²	158.4	79%	0.788	81%	0.808	S	S	*	*			trans	75.7	133.5	164.4	-170.7	0	0	0	0	117.8
525	D	27.6	Very low	27.6	Very low	158 Å²	158	152.4 Å²	152.4	85%	0.845	80%	0.8	S	S	*	*			trans	32.6	127.1	159.9	-56.2	-12.4	0	0	0	123
526	G	28.3	Very low	27.7	Very low	74 Å²	74	152 Å²	152	76%	0.763	80%	0.798	S	S	*	*			trans	-178.3	95.4	167.2	0	0	0	0	0	114	C528	G526-C528 PolarHBondContact O-N 3.38Å
527	K	27.7	Very low	27.8	Very low	213 Å²	213	152.2 Å²	152.2	93%	0.926	79%	0.79	S	S	*	*			trans	-55.3	123.3	-178.8	-67.5	166.3	179.6	168.1	0	112.6	K529	K527-K529 PolarHBondContact O-N 3.46Å
528	C	24.7	Very low	27.8	Very low	122 Å²	122	153.9 Å²	153.9	82%	0.824	79%	0.791	S	S	*	*			trans	-61.6	128.1	170.1	-64.8	0	0	0	0	111.7	G526	G526-C528 PolarHBondContact O-N 3.38Å
529	K	25.5	Very low	27.7	Very low	193 Å²	193	151.8 Å²	151.8	84%	0.839	79%	0.791	S	S	*	*			trans	-134	114.8	161.3	-116.6	-172.4	178.2	-174	0	108.7	K527	K527-K529 PolarHBondContact O-N 3.46Å
530	W	23.9	Very low	27.5	Very low	251 Å²	251	154.5 Å²	154.5	95%	0.951	79%	0.79	S	S	*	*			trans	-79.3	129.4	168.6	-78.2	83.1	0	0	0	109.2
531	I	24.5	Very low	27.5	Very low	144 Å²	144	156.3 Å²	156.3	74%	0.738	80%	0.798	S	S	*	*			trans	-125	126.2	164.3	-67	-179.7	0	0	0	106.9
532	S	24.4	Very low	26.3	Very low	104 Å²	104	162.3 Å²	162.3	73%	0.727	81%	0.808	S	S	*	*			trans	-79.7	138.4	177.4	52.7	0	0	0	0	111.6
533	L	25.3	Very low	26.3	Very low	168 Å²	168	155.8 Å²	155.8	88%	0.88	80%	0.8	S	S	*	*			trans	-129	110.7	158.4	-79	173.6	0	0	0	110.1
534	F	25.7	Very low	26.3	Very low	180 Å²	180	158 Å²	158	79%	0.789	80%	0.797	S	S	*	*			trans	-70.7	162.6	154.4	-97.2	-92.2	0	0	0	109.3
535	P	30.4	Very low	26.2	Very low	120 Å²	120	159.6 Å²	159.6	78%	0.779	79%	0.793	S	S	*	*				-111.5	146.8	117.3	-15	32.1	0	0	0	114.1
536	Q	25.7	Very low	26.3	Very low	168 Å²	168	160.8 Å²	160.8	79%	0.785	79%	0.793	S	S	*	*			trans	-78.7	-172.2	156.5	-64	170.1	-21.2	0	0	107.7
537	I	27.3	Very low	26.1	Very low	122 Å²	122	159.9 Å²	159.9	63%	0.626	78%	0.784	S	S	*	*			cis	-157.2	141.2	29.7	-63.1	168.8	0	0	0	107.5
538	Y	25.7	Very low	26.2	Very low	221 Å²	221	155.9 Å²	155.9	87%	0.867	78%	0.778	S	S	*	*				-170.4	149.3	114.5	-108.8	-76.4	0	0	0	112.7
539	T	26.1	Very low	26.4	Very low	116 Å²	116	156.6 Å²	156.6	71%	0.712	78%	0.778	S	S	*	*			trans	-127.7	155.8	-163.6	52.3	0	0	0	0	112
540	K	26.5	Very low	26.2	Very low	187 Å²	187	153 Å²	153	81%	0.813	78%	0.776	S	S	*	*			trans	-163.5	122.7	141	-117.4	172.1	-178.5	-179.7	0	116.2
541	H	27.1	Very low	26.4	Very low	179 Å²	179	149.5 Å²	149.5	83%	0.829	77%	0.77	S	S	*	*			trans	73.9	165.8	146.8	-72.6	-2.4	0	0	0	122.1
542	W	24.1	Very low	26.5	Very low	227 Å²	227	147.5 Å²	147.5	86%	0.86	77%	0.769	S	S	*	*			trans	-133	147.7	-140.2	-105.6	37.4	0	0	0	112.7
543	S	25.7	Very low	26.7	Very low	112 Å²	112	146.8 Å²	146.8	78%	0.783	77%	0.769	S	S	*	*			trans	-164.6	119	131.7	41.1	0	0	0	0	107.8
544	Q	27.8	Very low	26.8	Very low	129 Å²	129	143.8 Å²	143.8	60%	0.603	77%	0.768	S	S	*	*				49	119.3	83.9	-98.6	-177.2	-6.9	0	0	113.1
545	F	25.8	Very low	26.9	Very low	163 Å²	163	141.3 Å²	141.3	72%	0.715	77%	0.774	S	S	*	*			cis	-126.7	-168.1	10.2	-77.8	-94.3	0	0	0	110.5
546	H	29.7	Very low	26.8	Very low	183 Å²	183	144.1 Å²	144.1	85%	0.847	78%	0.776	S	S	*	*			cis	-151.2	-139	12.1	-148.6	-42.6	0	0	0	112.6
547	G	25.6	Very low	26.9	Very low	55 Å²	55	141.8 Å²	141.8	57%	0.567	77%	0.773	S	S	*	*			trans	-107.1	-173.6	175.8	0	0	0	0	0	113.3
548	T	29.4	Very low	26.9	Very low	130 Å²	130	142.2 Å²	142.2	80%	0.798	78%	0.782	S	S	*	*			cis	-161	151.2	13.7	-24.1	0	0	0	0	113
549	T	27.9	Very low	27.3	Very low	136 Å²	136	139.7 Å²	139.7	83%	0.834	78%	0.782	S	S	*	*			trans	63.8	143.4	155.8	38.3	0	0	0	0	122.2
550	C	22.8	Very low	27.4	Very low	118 Å²	118	139 Å²	139	80%	0.797	79%	0.789	S	S	*	*			trans	-120.7	158.9	172.2	-53.8	0	0	0	0	110.8
551	H	27.8	Very low	27.7	Very low	177 Å²	177	135.6 Å²	135.6	82%	0.819	79%	0.789	S	S	*	*			trans	-167.2	123.7	146.1	-101	-72.8	0	0	0	107.8
552	S	27	Very low	27.8	Very low	103 Å²	103	136.5 Å²	136.5	72%	0.72	80%	0.796	S	S	*	*				48.3	137.5	94.7	81	0	0	0	0	115.4
553	A	27.8	Very low	28.2	Very low	89 Å²	89	129.9 Å²	129.9	74%	0.736	79%	0.789	S	S	*	*			cis	-147.6	143.1	10.4	0	0	0	0	0	109.1
554	A	26.9	Very low	28.9	Very low	104 Å²	104	138.2 Å²	138.2	86%	0.86	81%	0.812	S	S	*	*				43.2	107.2	89.5	0	0	0	0	0	115.7
555	S	28.1	Very low	28.9	Very low	128 Å²	128	138.7 Å²	138.7	90%	0.895	82%	0.822	S	S	*	*			trans	-140.3	156.1	158.1	60.1	0	0	0	0	109.1
556	Q	28	Very low	29.1	Very low	179 Å²	179	137.4 Å²	137.4	84%	0.836	83%	0.828	S	S	*	*			trans	-151.5	161.4	-157.2	-155.5	-169.1	26.9	0	0	110.5
557	V	28	Very low	29.1	Very low	119 Å²	119	134.9 Å²	134.9	72%	0.721	83%	0.827	S	S	*	*			trans	72.5	147.5	168	-173.1	0	0	0	0	112.1
558	T	28.2	Very low	29.3	Very low	131 Å²	131	139.6 Å²	139.6	80%	0.804	84%	0.842	S	S	*	*			cis	-136.4	158.3	19.4	-22.3	0	0	0	0	113.3
559	L	33	Very low	29.3	Very low	168 Å²	168	140.2 Å²	140.2	88%	0.88	85%	0.845	S	S	*	*			trans	-88.5	149.6	153.4	-95.6	140.8	0	0	0	110.1
560	A	28.8	Very low	29.4	Very low	103 Å²	103	140.5 Å²	140.5	85%	0.851	85%	0.846	S	S	*	*			trans	-145	143.6	161	0	0	0	0	0	110
561	S	31.3	Very low	29.8	Very low	115 Å²	115	142.1 Å²	142.1	80%	0.804	85%	0.849	S	S	*	*			trans	-132.8	146.1	170.8	59	0	0	0	0	109.3
562	M	30.4	Very low	30	Very low	198 Å²	198	139.4 Å²	139.4	98%	0.975	85%	0.851	S	S	*	*			trans	-168	169	141.6	-108.9	175	-174.7	0	0	110.1
563	A	32.3	Very low	30.2	Very low	88 Å²	88	142.4 Å²	142.4	73%	0.727	86%	0.862	S	S	*	*			trans	-96.2	156.9	-170	0	0	0	0	0	113.1
564	F	40.1	Very low	30.5	Very low	287 Å²	287	147.3 Å²	147.3	100%	1.259	87%	0.874	S	S	*	*				-145.6	0	122.9	-109.6	-74.7	0	0	0	109.4

Retrieved 564 of 564 residues in 847.2 ms (Link to these results)

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