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Leucine-rich repeat-containing protein 4

Synaptic adhesion protein. Regulates the formation of exitatory synapses through the recruitment of pre-and-postsynaptic proteins. Organize the lamina/pathway-specific differentiation of dendrites. Plays an important role for auditory synaptic responses. Involved in the suppression of glioma.

AlphaFold DB , UniProt , Accession Q99PH1, Species MOUSE (Mus musculus, Mouse), Gene Lrrc4, Length 652 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	50.6	Low	50.4	Low	233 Å²	233	150.1 Å²	150.1	100%	1.148	73%	0.731	S	S	*	*				0	14.3	0	-78.6	171.6	117	0	0	115.5
2	K	51.9	Low	50.7	Low	205 Å²	205	145 Å²	145	89%	0.891	72%	0.716	S	S	*	*			trans	-123.5	-6.8	166.2	-85.6	-175.4	176.4	179.8	0	115.7
3	L	49.8	Very low	50.7	Low	147 Å²	147	148.1 Å²	148.1	77%	0.77	72%	0.715	S	S	*	*	S	Bend	trans	-97	-13.3	179	-91	94.8	0	0	0	115.7	W5	L3-W5 PolarHBondContact O-N 3.48Å
4	L	49.4	Very low	50.9	Low	142 Å²	142	143.5 Å²	143.5	74%	0.743	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	-9.7	-173.8	-85.2	152.1	0	0	0	114.7
5	W	49.4	Very low	51.4	Low	217 Å²	217	138.4 Å²	138.4	82%	0.822	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	-14.1	-179.1	-91.1	69.1	0	0	0	114.7	L3	L3-W5 PolarHBondContact O-N 3.48Å
6	Q	49.1	Very low	51.9	Low	157 Å²	157	135.9 Å²	135.9	73%	0.734	68%	0.681	S	S	*	*	H	α-helix	trans	-84.3	-20.3	177.9	-93.5	176.9	-33.5	0	0	113.6
7	V	51.2	Low	52.3	Low	98 Å²	98	133.1 Å²	133.1	59%	0.594	67%	0.668	S	S	*	*	H	α-helix	trans	-85	-26	-177.2	-176.9	0	0	0	0	112.3
8	T	51.4	Low	53.2	Low	87 Å²	87	132.7 Å²	132.7	53%	0.534	67%	0.667	S	S	.	*	H	α-helix	trans	-81.1	-24.9	179.2	39.4	0	0	0	0	113.9
9	V	51.6	Low	54.2	Low	84 Å²	84	129.1 Å²	129.1	51%	0.509	65%	0.654	S	S	.	*	H	α-helix	trans	-76.9	-28.9	177.9	-175	0	0	0	0	112	T12 W13	V9-T12 PolarHBondContact O-OG1 3.48Å; V9-W13 PolarHBondContact O-N 3.24Å
10	H	47.7	Very low	55.3	Low	139 Å²	139	126.5 Å²	126.5	64%	0.644	65%	0.645	S	S	*	*	H	α-helix	trans	-72	-29.6	175.4	-110.7	-67	0	0	0	113.3	N14	H10-N14 PolarHBondContact O-N 3.43Å
11	H	52.9	Low	56.3	Low	142 Å²	142	124.6 Å²	124.6	66%	0.657	64%	0.639	S	S	*	*	H	α-helix	trans	-76.9	-27	178.8	-97	-67.9	0	0	0	113.6	A15	H11-A15 PolarHBondContact O-N 3.46Å
12	T	53.5	Low	57.8	Low	89 Å²	89	120.9 Å²	120.9	55%	0.546	61%	0.613	S	S	.	*	H	α-helix	trans	-83.3	-28.8	179.3	54.9	0	0	0	0	113	V9	V9-T12 PolarHBondContact O-OG1 3.48Å
13	W	51.1	Low	59	Low	185 Å²	185	116.4 Å²	116.4	70%	0.701	60%	0.599	S	S	*	*	H	α-helix	trans	-70.7	-38.6	171.7	-97.4	39.9	0	0	0	112.9	V9 A15 V16 L17	V9-W13 PolarHBondContact O-N 3.24Å; W13-A15 VanDerWaalsContact C-N 3.3Å; W13-A15 PolarHBondContact O-N 3.35Å; W13-V16 PolarHBondContact O-N 3.4Å; W13-L17 HydrophobicContact CE3-CD1 4.42Å; W13-L17 WeakPolarHBondContact O-CB 3.34Å; W13-L17 WeakPolarHBondContact O-CG 3.34Å; W13-L17 PolarHBondContact O-N 3.45Å
14	N	53.6	Low	60.5	Low	84 Å²	84	112.9 Å²	112.9	45%	0.449	58%	0.583	S	S	.	*	H	α-helix	trans	-67	-30.5	176.6	-81.2	-9.6	0	0	0	112.9	H10 V16 L18	H10-N14 PolarHBondContact O-N 3.43Å; N14-V16 VanDerWaalsContact C-N 3.31Å; N14-V16 PolarHBondContact O-N 3.25Å; N14-L18 WeakPolarHBondContact O-CD1 3.48Å; N14-L18 WeakPolarHBondContact O-CG 3.38Å; N14-L18 PolarHBondContact O-N 3.42Å
15	A	58.1	Low	61.9	Low	67 Å²	67	108.1 Å²	108.1	55%	0.554	57%	0.565	S	S	*	*	H	α-helix	trans	-70.1	-23.9	178.9	0	0	0	0	0	113.8	H11 W13 P19	H11-A15 PolarHBondContact O-N 3.46Å; W13-A15 VanDerWaalsContact C-N 3.3Å; W13-A15 PolarHBondContact O-N 3.35Å; A15-P19 WeakPolarHBondContact O-CD 3.49Å; A15-P19 WeakPolarHBondContact O-CG 3.18Å
16	V	58.7	Low	63.5	Low	99 Å²	99	102.7 Å²	102.7	60%	0.6	55%	0.549	S	S	*	.	H	α-helix	trans	-97.8	-30.5	177.5	-178.1	0	0	0	0	111.8	W13 N14 P19 V20	W13-V16 PolarHBondContact O-N 3.4Å; N14-V16 VanDerWaalsContact C-N 3.31Å; N14-V16 PolarHBondContact O-N 3.25Å; V16-P19 WeakPolarHBondContact O-CD 3.39Å; V16-P19 WeakPolarHBondContact O-CG 3.49Å; V16-V20 WeakPolarHBondContact O-CG2 3.4Å
17	L	59.9	Low	65	Low	88 Å²	88	99.1 Å²	99.1	46%	0.461	54%	0.537	S	S	.	.	H	α-helix	trans	-70.2	-37.6	177.5	-77.7	164.4	0	0	0	113	W13 V20 V21	W13-L17 HydrophobicContact CE3-CD1 4.42Å; W13-L17 WeakPolarHBondContact O-CB 3.34Å; W13-L17 WeakPolarHBondContact O-CG 3.34Å; W13-L17 PolarHBondContact O-N 3.45Å; L17-V20 PolarHBondContact O-N 3.19Å; L17-V21 WeakPolarHBondContact O-CB 3.24Å; L17-V21 VanDerWaalsContact O-CG2 3.29Å; L17-V21 WeakPolarHBondContact O-CG2 3.39Å; L17-V21 PolarHBondContact O-N 2.89Å
18	L	67	Low	66.3	Low	125 Å²	125	104.1 Å²	104.1	65%	0.654	55%	0.546	S	S	*	.	H	α-helix	trans	-58.8	-50	179.4	-80.8	162.7	0	0	0	114.2	N14 V20 V21 Y22	N14-L18 WeakPolarHBondContact O-CD1 3.48Å; N14-L18 WeakPolarHBondContact O-CG 3.38Å; N14-L18 PolarHBondContact O-N 3.42Å; L18-V20 VanDerWaalsContact C-N 3.32Å; L18-V20 PolarHBondContact O-N 3.06Å; L18-V21 PolarHBondContact O-N 2.95Å; L18-Y22 WeakPolarHBondContact O-CB 3.36Å; L18-Y22 PolarHBondContact O-N 3.31Å
19	P	73.9	Confident	67.6	Low	64 Å²	64	105.6 Å²	105.6	42%	0.416	55%	0.549	S	S	.	.	H	α-helix	trans	-67.7	-31.6	177.6	23.3	-31.7	0	0	0	112.6	A15 V16 Y22 L23	A15-P19 WeakPolarHBondContact O-CD 3.49Å; A15-P19 WeakPolarHBondContact O-CG 3.18Å; V16-P19 WeakPolarHBondContact O-CD 3.39Å; V16-P19 WeakPolarHBondContact O-CG 3.49Å; P19-Y22 PolarHBondContact O-N 2.9Å; P19-L23 WeakPolarHBondContact O-CB 3.42Å; P19-L23 WeakPolarHBondContact O-CD1 3.47Å; P19-L23 PolarHBondContact O-N 3.45Å
20	V	74.7	Confident	68.8	Low	77 Å²	77	107 Å²	107	47%	0.467	55%	0.553	S	S	.	*	H	α-helix	trans	-68.6	-44.3	176	175.2	0	0	0	0	111	V16 L17 L18 Y22 L23 T24	V16-V20 WeakPolarHBondContact O-CG2 3.4Å; L17-V20 PolarHBondContact O-N 3.19Å; L18-V20 VanDerWaalsContact C-N 3.32Å; L18-V20 PolarHBondContact O-N 3.06Å; V20-Y22 VanDerWaalsContact C-N 3.31Å; V20-Y22 PolarHBondContact O-N 2.92Å; V20-L23 PolarHBondContact O-N 3.02Å; V20-T24 WeakPolarHBondContact O-CG2 3.36Å; V20-T24 PolarHBondContact O-N 2.88Å; V20-T24 PolarHBondContact O-OG1 3.44Å
21	V	76.3	Confident	70	Confident	88 Å²	88	103.8 Å²	103.8	53%	0.533	55%	0.545	S	S	.	.	H	α-helix	trans	-64.9	-36.5	175.2	173.9	0	0	0	0	111.3	L17 L18 T24 A25	L17-V21 WeakPolarHBondContact O-CB 3.24Å; L17-V21 VanDerWaalsContact O-CG2 3.29Å; L17-V21 WeakPolarHBondContact O-CG2 3.39Å; L17-V21 PolarHBondContact O-N 2.89Å; L18-V21 PolarHBondContact O-N 2.95Å; V21-T24 WeakPolarHBondContact CA-OG1 3.29Å; V21-T24 PolarHBondContact O-OG1 3.33Å; V21-A25 VanDerWaalsContact O-CB 3.24Å; V21-A25 WeakPolarHBondContact O-CB 3.43Å; V21-A25 PolarHBondContact O-N 3.47Å
22	Y	81.8	Confident	70.8	Confident	154 Å²	154	99.8 Å²	99.8	60%	0.604	54%	0.537	S	S	*	.	H	α-helix	trans	-67	-42.4	175.2	-169.6	-97.5	0	0	0	112.1	L18 P19 V20 A25 Q26	L18-Y22 WeakPolarHBondContact O-CB 3.36Å; L18-Y22 PolarHBondContact O-N 3.31Å; P19-Y22 PolarHBondContact O-N 2.9Å; V20-Y22 VanDerWaalsContact C-N 3.31Å; V20-Y22 PolarHBondContact O-N 2.92Å; Y22-A25 PolarHBondContact O-N 3.27Å; Y22-Q26 HydrophobicContact CD1-CG 4.17Å; Y22-Q26 HydrophobicContact CE1-CG 3.87Å; Y22-Q26 WeakPolarHBondContact O-CB 3.49Å; Y22-Q26 WeakPolarHBondContact O-CG 3.48Å; Y22-Q26 PolarHBondContact O-N 2.88Å; Y22-Q26 PolarHBondContact OH-NE2 3.41Å
23	L	78.7	Confident	71.4	Confident	112 Å²	112	98.1 Å²	98.1	59%	0.586	53%	0.532	S	S	*	.	H	α-helix	trans	-64.9	-43.1	174.9	-87.9	154.4	0	0	0	112	P19 V20 A25 Q26 V27	P19-L23 WeakPolarHBondContact O-CB 3.42Å; P19-L23 WeakPolarHBondContact O-CD1 3.47Å; P19-L23 PolarHBondContact O-N 3.45Å; V20-L23 PolarHBondContact O-N 3.02Å; L23-A25 VanDerWaalsContact C-N 3.35Å; L23-Q26 PolarHBondContact O-N 3.36Å; L23-V27 WeakPolarHBondContact O-CB 3.26Å; L23-V27 VanDerWaalsContact O-CG2 3.26Å; L23-V27 WeakPolarHBondContact O-CG2 3.47Å; L23-V27 PolarHBondContact O-N 2.85Å
24	T	80.2	Confident	71.9	Confident	72 Å²	72	94.1 Å²	94.1	44%	0.442	52%	0.524	S	S	.	.	H	α-helix	trans	-65.8	-39.4	175.9	58.4	0	0	0	0	111.2	V20 V21 V27 W28	V20-T24 WeakPolarHBondContact O-CG2 3.36Å; V20-T24 PolarHBondContact O-N 2.88Å; V20-T24 PolarHBondContact O-OG1 3.44Å; V21-T24 WeakPolarHBondContact CA-OG1 3.29Å; V21-T24 PolarHBondContact O-OG1 3.33Å; T24-V27 PolarHBondContact O-N 3.3Å; T24-W28 WeakPolarHBondContact O-CB 3.43Å; T24-W28 VanDerWaalsContact O-CD1 3.24Å; T24-W28 PolarHBondContact O-N 2.87Å
25	A	79.8	Confident	72	Confident	43 Å²	43	93.2 Å²	93.2	36%	0.355	53%	0.527	S	S	.	.	H	α-helix	trans	-62.8	-43	174.1	0	0	0	0	0	112	V21 Y22 L23 W28 I29	V21-A25 VanDerWaalsContact O-CB 3.24Å; V21-A25 WeakPolarHBondContact O-CB 3.43Å; V21-A25 PolarHBondContact O-N 3.47Å; Y22-A25 PolarHBondContact O-N 3.27Å; L23-A25 VanDerWaalsContact C-N 3.35Å; A25-W28 PolarHBondContact O-N 2.88Å; A25-I29 VanDerWaalsContact O-CG1 3.24Å; A25-I29 WeakPolarHBondContact O-CG1 3.34Å; A25-I29 PolarHBondContact O-N 3.34Å
26	Q	83.4	Confident	71.8	Confident	103 Å²	103	92.9 Å²	92.9	48%	0.481	53%	0.525	S	S	.	.	H	α-helix	trans	-66.2	-39.2	175.8	-73.1	-131.4	-25.6	0	0	112.6	Y22 L23 W28 I29 L30	Y22-Q26 HydrophobicContact CD1-CG 4.17Å; Y22-Q26 HydrophobicContact CE1-CG 3.87Å; Y22-Q26 WeakPolarHBondContact O-CB 3.49Å; Y22-Q26 WeakPolarHBondContact O-CG 3.48Å; Y22-Q26 PolarHBondContact O-N 2.88Å; Y22-Q26 PolarHBondContact OH-NE2 3.41Å; L23-Q26 PolarHBondContact O-N 3.36Å; Q26-W28 VanDerWaalsContact C-N 3.34Å; Q26-I29 PolarHBondContact O-N 2.81Å; Q26-L30 VanDerWaalsContact O-CB 3.26Å; Q26-L30 WeakPolarHBondContact O-CB 3.26Å; Q26-L30 PolarHBondContact O-N 3.36Å
27	V	79.5	Confident	71.4	Confident	81 Å²	81	91.5 Å²	91.5	49%	0.491	52%	0.524	S	S	.	.	H	α-helix	trans	-64.3	-40	173.8	171.5	0	0	0	0	110.7	L23 T24 L30 C31	L23-V27 WeakPolarHBondContact O-CB 3.26Å; L23-V27 VanDerWaalsContact O-CG2 3.26Å; L23-V27 WeakPolarHBondContact O-CG2 3.47Å; L23-V27 PolarHBondContact O-N 2.85Å; T24-V27 PolarHBondContact O-N 3.3Å; V27-L30 PolarHBondContact O-N 3.44Å; V27-C31 VanDerWaalsContact O-CB 3.27Å; V27-C31 WeakPolarHBondContact O-CB 3.23Å; V27-C31 PolarHBondContact O-N 3.36Å; V27-C31 PolarHBondContact O-SG 2.78Å; V27-C31 VanDerWaalsContact O-SG 3.36Å
28	W	79.2	Confident	70.8	Confident	204 Å²	204	91 Å²	91	77%	0.773	53%	0.533	S	S	*	.	H	α-helix	trans	-64.7	-43.1	174	-92.6	83.3	0	0	0	112.6	T24 A25 Q26 L30 C31 A32	T24-W28 WeakPolarHBondContact O-CB 3.43Å; T24-W28 VanDerWaalsContact O-CD1 3.24Å; T24-W28 PolarHBondContact O-N 2.87Å; A25-W28 PolarHBondContact O-N 2.88Å; Q26-W28 VanDerWaalsContact C-N 3.34Å; W28-L30 VanDerWaalsContact C-N 3.34Å; W28-C31 PolarHBondContact O-N 3.39Å; W28-A32 VanDerWaalsContact O-CB 3.23Å; W28-A32 WeakPolarHBondContact O-CB 3.24Å; W28-A32 PolarHBondContact O-N 2.81Å
29	I	78.8	Confident	69.9	Low	118 Å²	118	89.9 Å²	89.9	61%	0.605	54%	0.535	S	S	*	.	H	α-helix	trans	-63.9	-41.8	175.3	-68.4	164	0	0	0	110.4	A25 Q26 A32 A33	A25-I29 VanDerWaalsContact O-CG1 3.24Å; A25-I29 WeakPolarHBondContact O-CG1 3.34Å; A25-I29 PolarHBondContact O-N 3.34Å; Q26-I29 PolarHBondContact O-N 2.81Å; I29-A32 PolarHBondContact O-N 3.41Å; I29-A33 VanDerWaalsContact O-CB 3.26Å; I29-A33 WeakPolarHBondContact O-CB 3.26Å; I29-A33 PolarHBondContact O-N 2.82Å
30	L	77	Confident	68.4	Low	112 Å²	112	90.9 Å²	90.9	59%	0.586	55%	0.548	S	S	*	.	H	α-helix	trans	-68.3	-42.1	178	-161.4	78.5	0	0	0	111.2	Q26 V27 W28 A33 I34	Q26-L30 VanDerWaalsContact O-CB 3.26Å; Q26-L30 WeakPolarHBondContact O-CB 3.26Å; Q26-L30 PolarHBondContact O-N 3.36Å; V27-L30 PolarHBondContact O-N 3.44Å; W28-L30 VanDerWaalsContact C-N 3.34Å; L30-A33 PolarHBondContact O-N 3.45Å; L30-I34 HydrophobicContact CD2-CD1 4.38Å; L30-I34 HydrophobicContact CG-CD1 4.07Å; L30-I34 WeakPolarHBondContact O-CB 3.39Å; L30-I34 WeakPolarHBondContact O-CD1 3.13Å; L30-I34 WeakPolarHBondContact O-CG1 3.43Å; L30-I34 PolarHBondContact O-N 2.81Å
31	C	71.2	Confident	66.9	Low	73 Å²	73	89.2 Å²	89.2	49%	0.493	55%	0.547	S	S	.	.	H	α-helix	trans	-64.6	-38.9	173.8	-77.9	0	0	0	0	111.9	V27 W28 I34 A35	V27-C31 VanDerWaalsContact O-CB 3.27Å; V27-C31 WeakPolarHBondContact O-CB 3.23Å; V27-C31 PolarHBondContact O-N 3.36Å; V27-C31 PolarHBondContact O-SG 2.78Å; V27-C31 VanDerWaalsContact O-SG 3.36Å; W28-C31 PolarHBondContact O-N 3.39Å; C31-I34 PolarHBondContact O-N 3.39Å; C31-A35 VanDerWaalsContact O-CB 3.27Å; C31-A35 WeakPolarHBondContact O-CB 3.27Å; C31-A35 PolarHBondContact O-N 3.45Å
32	A	71.4	Confident	65.8	Low	58 Å²	58	90.1 Å²	90.1	48%	0.479	56%	0.555	S	S	.	*	H	α-helix	trans	-67.3	-39	173.8	0	0	0	0	0	111.7	W28 I29 A35 A36	W28-A32 VanDerWaalsContact O-CB 3.23Å; W28-A32 WeakPolarHBondContact O-CB 3.24Å; W28-A32 PolarHBondContact O-N 2.81Å; I29-A32 PolarHBondContact O-N 3.41Å; A32-A35 PolarHBondContact O-N 2.79Å; A32-A36 VanDerWaalsContact O-CB 3.29Å; A32-A36 WeakPolarHBondContact O-CB 3.23Å; A32-A36 PolarHBondContact O-N 3.37Å
33	A	65.8	Low	65	Low	54 Å²	54	86 Å²	86	45%	0.446	54%	0.541	S	S	.	.	H	α-helix	trans	-67.6	-38.4	174.7	0	0	0	0	0	111.9	I29 L30 A36 A37	I29-A33 VanDerWaalsContact O-CB 3.26Å; I29-A33 WeakPolarHBondContact O-CB 3.26Å; I29-A33 PolarHBondContact O-N 2.82Å; L30-A33 PolarHBondContact O-N 3.45Å; A33-A36 PolarHBondContact O-N 2.8Å; A33-A37 VanDerWaalsContact O-CB 3.23Å; A33-A37 WeakPolarHBondContact O-CB 3.18Å; A33-A37 PolarHBondContact O-N 3.3Å
34	I	60.9	Low	65.2	Low	101 Å²	101	86 Å²	86	52%	0.518	54%	0.542	S	S	.	.	H	α-helix	trans	-69.7	-38.3	174.1	-67.7	163.7	0	0	0	110.4	L30 C31 A37 A38	L30-I34 HydrophobicContact CD2-CD1 4.38Å; L30-I34 HydrophobicContact CG-CD1 4.07Å; L30-I34 WeakPolarHBondContact O-CB 3.39Å; L30-I34 WeakPolarHBondContact O-CD1 3.13Å; L30-I34 WeakPolarHBondContact O-CG1 3.43Å; L30-I34 PolarHBondContact O-N 2.81Å; C31-I34 PolarHBondContact O-N 3.39Å; I34-A37 PolarHBondContact O-N 3.45Å; I34-A38 WeakPolarHBondContact O-CB 3.27Å; I34-A38 PolarHBondContact O-N 2.83Å
35	A	56.3	Low	65.7	Low	64 Å²	64	84.7 Å²	84.7	53%	0.529	54%	0.535	S	S	.	.	H	α-helix	trans	-65.9	-39.9	174	0	0	0	0	0	111.7	C31 A32 A38 S39	C31-A35 VanDerWaalsContact O-CB 3.27Å; C31-A35 WeakPolarHBondContact O-CB 3.27Å; C31-A35 PolarHBondContact O-N 3.45Å; A32-A35 PolarHBondContact O-N 2.79Å; A35-A38 PolarHBondContact O-N 2.65Å; A35-S39 PolarHBondContact O-N 3.1Å; A35-S39 VanDerWaalsContact O-N 3.1Å
36	A	53.9	Low	66.3	Low	60 Å²	60	83.3 Å²	83.3	50%	0.496	52%	0.522	S	S	.	.	H	α-helix	trans	-66.1	-41.6	173.1	0	0	0	0	0	111.6	A32 A33 S39	A32-A36 VanDerWaalsContact O-CB 3.29Å; A32-A36 WeakPolarHBondContact O-CB 3.23Å; A32-A36 PolarHBondContact O-N 3.37Å; A33-A36 PolarHBondContact O-N 2.8Å; A36-S39 PolarHBondContact O-N 2.75Å; A36-S39 PolarHBondContact O-OG 3.48Å
37	A	50.4	Low	66.7	Low	70 Å²	70	84.2 Å²	84.2	58%	0.579	54%	0.54	S	S	*	.	H	α-helix	trans	-70.7	-32.2	176.2	0	0	0	0	0	112.7	A33 I34 S39 A40	A33-A37 VanDerWaalsContact O-CB 3.23Å; A33-A37 WeakPolarHBondContact O-CB 3.18Å; A33-A37 PolarHBondContact O-N 3.3Å; I34-A37 PolarHBondContact O-N 3.45Å; A37-S39 VanDerWaalsContact C-N 3.26Å; A37-S39 PolarHBondContact O-N 3.45Å; A37-A40 WeakPolarHBondContact O-CB 3.29Å; A37-A40 PolarHBondContact O-N 3.18Å
38	A	46.1	Very low	67.4	Low	79 Å²	79	82.7 Å²	82.7	65%	0.653	53%	0.531	S	S	*	.	H	α-helix	trans	-73.5	-17.8	174.5	0	0	0	0	0	112.7	I34 A35 A40	I34-A38 WeakPolarHBondContact O-CB 3.27Å; I34-A38 PolarHBondContact O-N 2.83Å; A35-A38 PolarHBondContact O-N 2.65Å; A38-A40 PolarHBondContact O-N 3.29Å
39	S	48.4	Very low	68.2	Low	101 Å²	101	73.6 Å²	73.6	71%	0.706	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-8	169.7	78.1	0	0	0	0	113.6	A35 A36 A37 G41	A35-S39 PolarHBondContact O-N 3.1Å; A35-S39 VanDerWaalsContact O-N 3.1Å; A36-S39 PolarHBondContact O-N 2.75Å; A36-S39 PolarHBondContact O-OG 3.48Å; A37-S39 VanDerWaalsContact C-N 3.26Å; A37-S39 PolarHBondContact O-N 3.45Å; S39-G41 VanDerWaalsContact C-N 3.29Å; S39-G41 PolarHBondContact O-N 3.35Å
40	A	42.7	Very low	69	Low	84 Å²	84	71.4 Å²	71.4	69%	0.694	49%	0.493	S	S	*	.			trans	-91.6	35.4	176.2	0	0	0	0	0	113.2	A37 A38	A37-A40 WeakPolarHBondContact O-CB 3.29Å; A37-A40 PolarHBondContact O-N 3.18Å; A38-A40 PolarHBondContact O-N 3.29Å
41	G	42.1	Very low	69.8	Low	42 Å²	42	67.3 Å²	67.3	43%	0.433	47%	0.474	S	S	.	.	S	Bend	trans	-62.1	160	166.3	0	0	0	0	0	111.4	S39 Q43	S39-G41 VanDerWaalsContact C-N 3.29Å; S39-G41 PolarHBondContact O-N 3.35Å; G41-Q43 PolarHBondContact O-N 3.1Å; G41-Q43 VanDerWaalsContact O-N 3.1Å
42	P	54.2	Low	70.9	Confident	108 Å²	108	65.7 Å²	65.7	70%	0.701	46%	0.463	S	S	*	.			trans	-49.3	124.6	178.7	20.1	-30.9	0	0	0	109.2	N44	P42-N44 VanDerWaalsContact C-N 3.33Å; P42-N44 VanDerWaalsContact O-CG 3.24Å; P42-N44 PolarHBondContact O-N 3.23Å; P42-N44 PolarHBondContact O-OD1 3.05Å
43	Q	65.1	Low	71.5	Confident	67 Å²	67	70.9 Å²	70.9	31%	0.313	48%	0.483	S	S	.	.			trans	-60.7	98.3	-177.6	-69.8	-165.5	5.1	0	0	108.5	G41 F55 P73 S74	G41-Q43 PolarHBondContact O-N 3.1Å; G41-Q43 VanDerWaalsContact O-N 3.1Å; Q43-F55 WeakPolarHBondContact O-CZ 3.22Å; Q43-P73 HydrophobicContact CB-CB 4.42Å; Q43-S74 PolarHBondContact NE2-OG 2.94Å
44	N	82.7	Confident	72.5	Confident	113 Å²	113	75.8 Å²	75.8	60%	0.604	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-95.9	138.7	-177	-72.8	-15.3	0	0	0	109	P42	P42-N44 VanDerWaalsContact C-N 3.33Å; P42-N44 VanDerWaalsContact O-CG 3.24Å; P42-N44 PolarHBondContact O-N 3.23Å; P42-N44 PolarHBondContact O-OD1 3.05Å
45	C	91.1	Very high	73.9	Confident	43 Å²	43	74 Å²	74	29%	0.291	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-66.2	135	169.1	-169.5	0	0	0	0	109.4	S47 C51 F55	C45-S47 PolarHBondContact O-N 3.14Å; C45-C51 VanDerWaalsContact CA-SG 3.51Å; C45-C51 HydrophobicContact CB-CB 3.68Å; C45-C51 WeakPolarHBondContact CB-SG 3.46Å; C45-C51 WeakPolarHBondContact SG-CB 3.34Å; C45-C51 PolarHBondContact SG-N 3Å; C45-C51 CovalentContact SG-SG 2.03Å; C45-C51 PolarHBondContact SG-SG 2.88Å; C45-F55 HydrophobicContact CB-CE1 4.17Å
46	P	92.2	Very high	75.7	Confident	14 Å²	14	72.7 Å²	72.7	9%	0.091	47%	0.472	C	S	.	.	P	Polyproline II helix	trans	-55.7	137.2	171.8	-22.3	30.5	0	0	0	110.7	V48 C49 P69 I72	P46-V48 HydrophobicContact CB-CG2 4.45Å; P46-V48 PolarHBondContact O-N 2.79Å; P46-V48 VanDerWaalsContact O-N 3.11Å; P46-C49 HydrophobicContact CB-CB 4.07Å; P46-C49 HydrophobicContact CG-CB 4.35Å; P46-C49 PolarHBondContact O-N 3.2Å; P46-P69 HydrophobicContact CB-CB 4.43Å; P46-I72 HydrophobicContact CG-CG1 4.36Å
47	S	92.4	Very high	77.7	Confident	122 Å²	122	74.6 Å²	74.6	85%	0.853	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-26.3	-174.8	56.9	0	0	0	0	114	C45 C49	C45-S47 PolarHBondContact O-N 3.14Å; S47-C49 VanDerWaalsContact C-N 3.33Å
48	V	94.2	Very high	79.9	Confident	50 Å²	50	71.2 Å²	71.2	30%	0.303	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-6.5	177.3	-63.7	0	0	0	0	113.4	P46 R63 L65 P69	P46-V48 HydrophobicContact CB-CG2 4.45Å; P46-V48 PolarHBondContact O-N 2.79Å; P46-V48 VanDerWaalsContact O-N 3.11Å; V48-R63 WeakPolarHBondContact O-CG 3.3Å; V48-R63 PolarHBondContact O-NE 2.81Å; V48-R63 PolarHBondContact O-NH1 3.1Å; V48-R63 VanDerWaalsContact O-NH1 3.14Å; V48-L65 HydrophobicContact CB-CD2 4.24Å; V48-L65 HydrophobicContact CG1-CD2 4.49Å; V48-L65 HydrophobicContact CG2-CD2 4.04Å; V48-P69 HydrophobicContact CG2-CB 3.9Å
49	C	95.4	Very high	82.4	Confident	12 Å²	12	69.4 Å²	69.4	8%	0.081	42%	0.422	C	S	.	.	S	Bend	trans	-113.9	166.6	-175.4	-60.7	0	0	0	0	111.6	P46 S47 V58 V59 C60	P46-C49 HydrophobicContact CB-CB 4.07Å; P46-C49 HydrophobicContact CG-CB 4.35Å; P46-C49 PolarHBondContact O-N 3.2Å; S47-C49 VanDerWaalsContact C-N 3.33Å; C49-V58 HydrophobicContact CB-CG1 4.01Å; C49-V59 WeakPolarHBondContact CA-O 3.2Å; C49-C60 HydrophobicContact CB-CB 4.02Å; C49-C60 WeakPolarHBondContact CB-SG 3.43Å; C49-C60 WeakPolarHBondContact SG-CB 3.25Å; C49-C60 CovalentContact SG-SG 2.03Å; C49-C60 PolarHBondContact SG-SG 3Å
50	S	95.2	Very high	84.7	Confident	73 Å²	73	64.6 Å²	64.6	51%	0.51	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	125.8	169.1	-177.7	0	0	0	0	108.8	V59	S50-V59 PolarHBondContact N-O 3.07Å; S50-V59 PolarHBondContact O-N 3.32Å
51	C	94.4	Very high	87.3	Confident	26 Å²	26	62.7 Å²	62.7	18%	0.176	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	144.5	-178.2	-55.4	0	0	0	0	110.8	C45 F55 K57	C45-C51 VanDerWaalsContact CA-SG 3.51Å; C45-C51 HydrophobicContact CB-CB 3.68Å; C45-C51 WeakPolarHBondContact CB-SG 3.46Å; C45-C51 WeakPolarHBondContact SG-CB 3.34Å; C45-C51 PolarHBondContact SG-N 3Å; C45-C51 CovalentContact SG-SG 2.03Å; C45-C51 PolarHBondContact SG-SG 2.88Å; C51-F55 HydrophobicContact CB-CD1 3.85Å; C51-F55 HydrophobicContact CB-CE1 4.26Å; C51-K57 WeakPolarHBondContact CA-O 3.44Å
52	S	93.1	Very high	89.9	Confident	39 Å²	39	69.3 Å²	69.3	27%	0.273	38%	0.38	S	S	.	.			trans	-66.1	158.7	167.8	61.6	0	0	0	0	111.6	Q54 F55 S56 K57	S52-Q54 PolarHBondContact O-N 2.9Å; S52-F55 WeakPolarHBondContact O-CA 3.34Å; S52-F55 PolarHBondContact O-N 3Å; S52-F55 PolarHBondContact OG-N 3.05Å; S52-S56 PolarHBondContact OG-N 2.95Å; S52-S56 PolarHBondContact OG-OG 3.11Å; S52-K57 PolarHBondContact N-O 3.16Å; S52-K57 PolarHBondContact OG-N 3.13Å; S52-K57 VanDerWaalsContact OG-N 3.09Å; S52-K57 PolarHBondContact OG-O 3.06Å
53	N	84.8	Confident	91.9	Very high	166 Å²	166	70.2 Å²	70.2	89%	0.888	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-31.1	179.8	-66.8	-9.9	0	0	0	114.4
54	Q	87.6	Confident	93.3	Very high	157 Å²	157	69.1 Å²	69.1	73%	0.734	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	4.1	178.4	-64.6	-179.6	-4.5	0	0	113.4	S52 S56	S52-Q54 PolarHBondContact O-N 2.9Å; Q54-S56 PolarHBondContact O-N 2.88Å
55	F	88.8	Confident	94	Very high	63 Å²	63	65 Å²	65	28%	0.276	35%	0.354	S	S	.	.	S	Bend	trans	55.3	13.8	-172.5	-56.7	-78	0	0	0	115.4	Q43 C45 C51 S52 P73 T76	Q43-F55 WeakPolarHBondContact O-CZ 3.22Å; C45-F55 HydrophobicContact CB-CE1 4.17Å; C51-F55 HydrophobicContact CB-CD1 3.85Å; C51-F55 HydrophobicContact CB-CE1 4.26Å; S52-F55 WeakPolarHBondContact O-CA 3.34Å; S52-F55 PolarHBondContact O-N 3Å; S52-F55 PolarHBondContact OG-N 3.05Å; F55-P73 HydrophobicContact CB-CB 3.91Å; F55-P73 HydrophobicContact CB-CG 4.12Å; F55-P73 HydrophobicContact CD1-CB 4.45Å; F55-P73 HydrophobicContact CD1-CG 3.84Å; F55-P73 HydrophobicContact CG-CB 4.36Å; F55-P73 HydrophobicContact CG-CG 4.24Å; F55-T76 WeakPolarHBondContact O-CA 3.36Å
56	S	94	Very high	94.3	Very high	38 Å²	38	66.6 Å²	66.6	27%	0.266	37%	0.366	S	S	.	.	S	Bend	trans	-73.5	-29.1	178.9	58.8	0	0	0	0	112.6	S52 Q54 R77 Y78	S52-S56 PolarHBondContact OG-N 2.95Å; S52-S56 PolarHBondContact OG-OG 3.11Å; Q54-S56 PolarHBondContact O-N 2.88Å; S56-R77 PolarHBondContact O-N 2.03Å; S56-Y78 PolarHBondContact O-N 2.73Å
57	K	96.7	Very high	94.4	Very high	99 Å²	99	72.3 Å²	72.3	43%	0.43	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	124.4	177.5	-175.2	171.1	-174.7	174.6	0	110.6	C51 S52 V59 Y78	C51-K57 WeakPolarHBondContact CA-O 3.44Å; S52-K57 PolarHBondContact N-O 3.16Å; S52-K57 PolarHBondContact OG-N 3.13Å; S52-K57 VanDerWaalsContact OG-N 3.09Å; S52-K57 PolarHBondContact OG-O 3.06Å; K57-V59 HydrophobicContact CD-CG2 4.47Å; K57-V59 HydrophobicContact CG-CG2 4.09Å; K57-Y78 WeakPolarHBondContact CA-O 3.32Å; K57-Y78 HydrophobicContact CD-CD1 4.17Å; K57-Y78 HydrophobicContact CD-CE1 4.44Å; K57-Y78 HydrophobicContact CG-CD1 3.67Å; K57-Y78 HydrophobicContact CG-CE1 4.29Å; K57-Y78 HydrophobicContact CG-CG 4.32Å
58	V	97.2	Very high	94.6	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	122.4	177.3	-178.3	0	0	0	0	109.2	C49 T76 Y78 L79 N80	C49-V58 HydrophobicContact CB-CG1 4.01Å; V58-T76 HydrophobicContact CB-CG2 4.06Å; V58-T76 HydrophobicContact CG2-CG2 3.67Å; V58-T76 WeakPolarHBondContact CG2-OG1 3.32Å; V58-Y78 PolarHBondContact N-O 3.45Å; V58-L79 HydrophobicContact CB-CD1 3.91Å; V58-L79 HydrophobicContact CG1-CD1 3.85Å; V58-N80 PolarHBondContact O-N 3.14Å
59	V	97.6	Very high	94.6	Very high	40 Å²	40	65.6 Å²	65.6	24%	0.242	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	118.2	-175.5	-176.4	0	0	0	0	109.8	C49 S50 K57 T61	C49-V59 WeakPolarHBondContact CA-O 3.2Å; S50-V59 PolarHBondContact N-O 3.07Å; S50-V59 PolarHBondContact O-N 3.32Å; K57-V59 HydrophobicContact CD-CG2 4.47Å; K57-V59 HydrophobicContact CG-CG2 4.09Å; V59-T61 HydrophobicContact CG1-CG2 4.07Å
60	C	97.4	Very high	94.4	Very high	0 Å²	0	72.6 Å²	72.6	0%	0	38%	0.377	C	S	.	.			trans	-127.8	35.5	178.6	-30.5	0	0	0	0	111.8	C49 L65 N80 L81 N84	C49-C60 HydrophobicContact CB-CB 4.02Å; C49-C60 WeakPolarHBondContact CB-SG 3.43Å; C49-C60 WeakPolarHBondContact SG-CB 3.25Å; C49-C60 CovalentContact SG-SG 2.03Å; C49-C60 PolarHBondContact SG-SG 3Å; C60-L65 HydrophobicContact CB-CD1 3.98Å; C60-N80 PolarHBondContact N-O 3.25Å; C60-L81 HydrophobicContact CB-CD2 3.83Å; C60-N84 PolarHBondContact O-ND2 3.26Å
61	T	97	Very high	94.2	Very high	44 Å²	44	71.7 Å²	71.7	27%	0.27	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	147	-178.4	53.5	0	0	0	0	113.2	V59 R63 N80 M82	V59-T61 HydrophobicContact CG1-CG2 4.07Å; T61-R63 VanDerWaalsContact C-N 3.34Å; T61-R63 PolarHBondContact O-N 3.35Å; T61-N80 HydrophobicContact CG2-CB 4.46Å; T61-N80 VanDerWaalsContact CG2-CG 3.41Å; T61-N80 WeakPolarHBondContact CG2-OD1 3.29Å; T61-M82 VanDerWaalsContact CA-O 3.22Å; T61-M82 WeakPolarHBondContact CA-O 3.43Å; T61-M82 HydrophobicContact CG2-CB 4.26Å
62	R	96.5	Very high	94.3	Very high	181 Å²	181	71.8 Å²	71.8	68%	0.683	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	39.7	174.2	-57.7	178.2	-177.2	-178.3	-3.9	114.1	M82 E83	R62-M82 PolarHBondContact N-O 3.01Å; R62-E83 VanDerWaalsContact CA-O 3.26Å; R62-E83 WeakPolarHBondContact CA-O 3.42Å; R62-E83 WeakPolarHBondContact CD-OE2 3.46Å; R62-E83 HydrophobicContact CG-CB 3.91Å; R62-E83 VanDerWaalsContact CG-OE2 3.23Å; R62-E83 WeakPolarHBondContact CG-OE2 3.39Å; R62-E83 IonicContact CZ-OE2 3.9Å; R62-E83 PolarHBondContact N-O 3.08Å; R62-E83 IonicContact NE-OE2 3.34Å; R62-E83 PolarHBondContact NE-OE2 3.38Å; R62-E83 IonicContact NH2-OE1 2.72Å; R62-E83 IonicContact NH2-OE2 3.05Å; R62-E83 PolarHBondContact NH2-OE2 3.08Å; R62-E83 VanDerWaalsContact NH2-OE2 3.15Å
63	R	95.7	Very high	94.4	Very high	127 Å²	127	70.2 Å²	70.2	48%	0.479	37%	0.367	S	S	.	.	S	Bend	trans	-107.2	-2.5	-177.6	-66	-62.8	-173.4	123.9	7.1	113.4	V48 T61 L65 N84	V48-R63 WeakPolarHBondContact O-CG 3.3Å; V48-R63 PolarHBondContact O-NE 2.81Å; V48-R63 PolarHBondContact O-NH1 3.1Å; V48-R63 VanDerWaalsContact O-NH1 3.14Å; T61-R63 VanDerWaalsContact C-N 3.34Å; T61-R63 PolarHBondContact O-N 3.35Å; R63-L65 HydrophobicContact CB-CD1 4.14Å; R63-L65 HydrophobicContact CB-CD2 4.14Å; R63-L65 HydrophobicContact CB-CG 3.76Å; R63-L65 PolarHBondContact O-N 2.64Å; R63-N84 WeakPolarHBondContact CA-OD1 3.46Å; R63-N84 PolarHBondContact N-OD1 3.45Å
64	G	96	Very high	94.8	Very high	45 Å²	45	64.5 Å²	64.5	46%	0.464	34%	0.34	S	S	.	.			trans	67.7	22.4	-179	0	0	0	0	0	113.4	S66 N84	G64-S66 PolarHBondContact O-N 3.24Å; G64-N84 PolarHBondContact N-OD1 3.24Å; G64-N84 VanDerWaalsContact N-OD1 3.08Å
65	L	96.9	Very high	95	Very high	25 Å²	25	60.6 Å²	60.6	13%	0.131	32%	0.324	C	S	.	.			trans	-64.1	128.5	-176.3	-58.4	171.3	0	0	0	110.3	V48 C60 R63 P69 L81 N84 N85 I86	V48-L65 HydrophobicContact CB-CD2 4.24Å; V48-L65 HydrophobicContact CG1-CD2 4.49Å; V48-L65 HydrophobicContact CG2-CD2 4.04Å; C60-L65 HydrophobicContact CB-CD1 3.98Å; R63-L65 HydrophobicContact CB-CD1 4.14Å; R63-L65 HydrophobicContact CB-CD2 4.14Å; R63-L65 HydrophobicContact CB-CG 3.76Å; R63-L65 PolarHBondContact O-N 2.64Å; L65-P69 HydrophobicContact CD1-CG 4.35Å; L65-L81 HydrophobicContact CD1-CD2 4.44Å; L65-N84 HydrophobicContact CB-CB 4.11Å; L65-N84 PolarHBondContact N-OD1 3.06Å; L65-N84 VanDerWaalsContact N-OD1 3.14Å; L65-N85 CarbonylContact O-C 3.11Å; L65-N85 VanDerWaalsContact O-CA 3.29Å; L65-N85 WeakPolarHBondContact O-CA 3.38Å; L65-N85 PolarHBondContact O-N 3.42Å; L65-I86 PolarHBondContact O-N 3.24Å
66	S	96.3	Very high	95.4	Very high	77 Å²	77	57.6 Å²	57.6	54%	0.538	31%	0.311	S	S	.	.	S	Bend	trans	-85.7	-19.1	173	52.9	0	0	0	0	113	G64 I86	G64-S66 PolarHBondContact O-N 3.24Å; S66-I86 WeakPolarHBondContact O-CA 3.29Å
67	E	95.8	Very high	95.6	Very high	135 Å²	135	62.1 Å²	62.1	63%	0.631	32%	0.323	S	S	*	.	S	Bend	trans	-142.1	162.9	-176.3	-66.2	177.9	-166.3	0	0	110.1
68	V	96.3	Very high	95.6	Very high	14 Å²	14	60.4 Å²	60.4	9%	0.085	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-68.3	129.6	176	178.4	0	0	0	0	109.4	Q70 I72 L81 I86 I89 T93 F94	V68-Q70 PolarHBondContact O-N 3.09Å; V68-I72 HydrophobicContact CG1-CD1 4.08Å; V68-L81 HydrophobicContact CG1-CD1 4.06Å; V68-L81 HydrophobicContact CG2-CD1 4.25Å; V68-I86 HydrophobicContact CG2-CD1 4.25Å; V68-I86 HydrophobicContact CG2-CG2 4.48Å; V68-I89 HydrophobicContact CG2-CD1 4.04Å; V68-T93 HydrophobicContact CB-CG2 3.75Å; V68-T93 HydrophobicContact CG1-CG2 3.75Å; V68-T93 HydrophobicContact CG2-CG2 3.85Å; V68-F94 HydrophobicContact CG1-CE1 3.77Å; V68-F94 HydrophobicContact CG1-CZ 4.27Å; V68-F94 HydrophobicContact CG2-CE1 4.43Å; V68-F94 HydrophobicContact CG2-CZ 4.1Å
69	P	94.5	Very high	95.7	Very high	16 Å²	16	60.4 Å²	60.4	10%	0.104	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-65.8	136.2	-177.5	26.1	-32.5	0	0	0	110.9	P46 V48 L65 I72 L81	P46-P69 HydrophobicContact CB-CB 4.43Å; V48-P69 HydrophobicContact CG2-CB 3.9Å; L65-P69 HydrophobicContact CD1-CG 4.35Å; P69-I72 HydrophobicContact CG-CD1 4.37Å; P69-I72 WeakPolarHBondContact O-CG1 3.38Å; P69-L81 HydrophobicContact CG-CD2 4.02Å
70	Q	91.2	Very high	95.7	Very high	159 Å²	159	59.1 Å²	59.1	74%	0.743	31%	0.306	S	S	*	.	S	Bend	trans	-75	155.8	173.8	-61.5	-61	-40.4	0	0	110.9	V68	V68-Q70 PolarHBondContact O-N 3.09Å
71	G	91.2	Very high	95.8	Very high	55 Å²	55	59.1 Å²	59.1	57%	0.567	31%	0.306	S	S	*	.			trans	80.4	28.1	175.7	0	0	0	0	0	115.1
72	I	95	Very high	95.8	Very high	28 Å²	28	58.7 Å²	58.7	14%	0.144	30%	0.301	C	S	.	.			trans	-67.6	128.5	173	-57.3	175.4	0	0	0	109.1	P46 V68 P69 T76 L79 L97	P46-I72 HydrophobicContact CG-CG1 4.36Å; V68-I72 HydrophobicContact CG1-CD1 4.08Å; P69-I72 HydrophobicContact CG-CD1 4.37Å; P69-I72 WeakPolarHBondContact O-CG1 3.38Å; I72-T76 HydrophobicContact CG2-CG2 4.43Å; I72-L79 HydrophobicContact CD1-CD1 4.08Å; I72-L79 HydrophobicContact CD1-CD2 3.64Å; I72-L79 HydrophobicContact CG2-CD1 4.41Å; I72-L97 HydrophobicContact CB-CD2 4.27Å; I72-L97 HydrophobicContact CG2-CD1 4.07Å; I72-L97 HydrophobicContact CG2-CD2 3.89Å
73	P	95	Very high	95.9	Very high	6 Å²	6	53 Å²	53	4%	0.039	28%	0.282	C	S	.	.			trans	-57.9	137.3	-179.3	-25.7	34	0	0	0	113	Q43 F55 N75 T76 L97	Q43-P73 HydrophobicContact CB-CB 4.42Å; F55-P73 HydrophobicContact CB-CB 3.91Å; F55-P73 HydrophobicContact CB-CG 4.12Å; F55-P73 HydrophobicContact CD1-CB 4.45Å; F55-P73 HydrophobicContact CD1-CG 3.84Å; F55-P73 HydrophobicContact CG-CB 4.36Å; F55-P73 HydrophobicContact CG-CG 4.24Å; P73-N75 PolarHBondContact O-N 3.27Å; P73-N75 VanDerWaalsContact O-N 3.14Å; P73-T76 VanDerWaalsContact O-CB 3.29Å; P73-T76 WeakPolarHBondContact O-CB 3.46Å; P73-T76 PolarHBondContact O-N 3.5Å; P73-T76 VanDerWaalsContact O-N 3.1Å; P73-T76 PolarHBondContact O-OG1 2.83Å; P73-L97 WeakPolarHBondContact O-CD2 3.19Å
74	S	93.6	Very high	96	Very high	45 Å²	45	47.2 Å²	47.2	32%	0.315	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-15.7	-178.7	63.2	0	0	0	0	114.4	Q43 T76 H99	Q43-S74 PolarHBondContact NE2-OG 2.94Å; S74-T76 VanDerWaalsContact C-N 3.3Å; S74-H99 PolarHBondContact O-ND1 2.82Å
75	N	93.2	Very high	96.1	Very high	76 Å²	76	49.2 Å²	49.2	41%	0.406	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	1.3	177.2	-67.4	-3.1	0	0	0	113.1	P73 R77	P73-N75 PolarHBondContact O-N 3.27Å; P73-N75 VanDerWaalsContact O-N 3.14Å; N75-R77 PolarHBondContact O-N 3.3Å
76	T	96.6	Very high	96.2	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.254	C	S	.	.			trans	-62.9	126	179.9	-55.2	0	0	0	0	110.7	F55 V58 I72 P73 S74 Y78 L79 H99 L100	F55-T76 WeakPolarHBondContact O-CA 3.36Å; V58-T76 HydrophobicContact CB-CG2 4.06Å; V58-T76 HydrophobicContact CG2-CG2 3.67Å; V58-T76 WeakPolarHBondContact CG2-OG1 3.32Å; I72-T76 HydrophobicContact CG2-CG2 4.43Å; P73-T76 VanDerWaalsContact O-CB 3.29Å; P73-T76 WeakPolarHBondContact O-CB 3.46Å; P73-T76 PolarHBondContact O-N 3.5Å; P73-T76 VanDerWaalsContact O-N 3.1Å; P73-T76 PolarHBondContact O-OG1 2.83Å; S74-T76 VanDerWaalsContact C-N 3.3Å; T76-Y78 WeakPolarHBondContact CG2-O 3.01Å; T76-L79 HydrophobicContact CG2-CB 4.13Å; T76-H99 CarbonylContact O-C 3.59Å; T76-L100 HydrophobicContact CG2-CD1 3.83Å; T76-L100 WeakPolarHBondContact O-CA 2.98Å; T76-L100 PolarHBondContact O-N 2.9Å
77	R	97.3	Very high	96.2	Very high	133 Å²	133	49.9 Å²	49.9	50%	0.502	25%	0.254	S	S	.	.	S	Bend	trans	-103.8	-30	172.5	-62.5	-168.6	-178.9	-160.2	7.1	112.8	S56 N75 H99 E101 V102	S56-R77 PolarHBondContact O-N 2.03Å; N75-R77 PolarHBondContact O-N 3.3Å; R77-H99 HydrophobicContact CG-CB 4.42Å; R77-E101 IonicContact CZ-OE1 3.1Å; R77-E101 IonicContact NE-OE1 3.71Å; R77-E101 IonicContact NH1-OE1 3.52Å; R77-E101 PolarHBondContact NH1-OE1 2.8Å; R77-E101 PolarHBondContact O-N 3.39Å; R77-V102 PolarHBondContact O-N 3.14Å
78	Y	98.2	Very high	96.3	Very high	63 Å²	63	47 Å²	47	25%	0.247	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	117.2	179.3	-179	-79.9	0	0	0	109.4	S56 K57 V58 T76 N80 V102 Q104	S56-Y78 PolarHBondContact O-N 2.73Å; K57-Y78 WeakPolarHBondContact CA-O 3.32Å; K57-Y78 HydrophobicContact CD-CD1 4.17Å; K57-Y78 HydrophobicContact CD-CE1 4.44Å; K57-Y78 HydrophobicContact CG-CD1 3.67Å; K57-Y78 HydrophobicContact CG-CE1 4.29Å; K57-Y78 HydrophobicContact CG-CG 4.32Å; V58-Y78 PolarHBondContact N-O 3.45Å; T76-Y78 WeakPolarHBondContact CG2-O 3.01Å; Y78-N80 HydrophobicContact CD1-CB 4.35Å; Y78-N80 HydrophobicContact CE1-CB 3.65Å; Y78-V102 HydrophobicContact CD2-CB 3.68Å; Y78-V102 HydrophobicContact CD2-CG1 3.77Å; Y78-V102 HydrophobicContact CD2-CG2 4.2Å; Y78-V102 HydrophobicContact CE2-CB 4.24Å; Y78-V102 HydrophobicContact CE2-CG1 3.8Å; Y78-V102 HydrophobicContact CG-CB 4.46Å; Y78-Q104 VanDerWaalsContact OH-CD 3.25Å; Y78-Q104 PolarHBondContact OH-NE2 3.49Å; Y78-Q104 PolarHBondContact OH-OE1 3.41Å
79	L	98.3	Very high	96.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	120.7	177.3	177.7	59.8	0	0	0	109.8	V58 I72 T76 L81 F94 L97 L100 V102 L103 Q104	V58-L79 HydrophobicContact CB-CD1 3.91Å; V58-L79 HydrophobicContact CG1-CD1 3.85Å; I72-L79 HydrophobicContact CD1-CD1 4.08Å; I72-L79 HydrophobicContact CD1-CD2 3.64Å; I72-L79 HydrophobicContact CG2-CD1 4.41Å; T76-L79 HydrophobicContact CG2-CB 4.13Å; L79-L81 HydrophobicContact CD1-CD2 4.37Å; L79-L81 HydrophobicContact CD1-CG 4.19Å; L79-L81 HydrophobicContact CD2-CD1 4.02Å; L79-L81 HydrophobicContact CD2-CG 4.46Å; L79-L81 HydrophobicContact CG-CD1 4.19Å; L79-L81 HydrophobicContact CG-CG 4.1Å; L79-F94 HydrophobicContact CD2-CD1 4.23Å; L79-F94 HydrophobicContact CD2-CE1 3.92Å; L79-L97 HydrophobicContact CD2-CD1 4.17Å; L79-L100 HydrophobicContact CB-CD1 3.66Å; L79-V102 PolarHBondContact N-O 3.18Å; L79-L103 HydrophobicContact CB-CD1 4.22Å; L79-L103 HydrophobicContact CD2-CD1 3.83Å; L79-L103 HydrophobicContact CG-CD1 4.11Å; L79-Q104 PolarHBondContact O-N 3.38Å
80	N	98.3	Very high	96.4	Very high	13 Å²	13	50.8 Å²	50.8	7%	0.07	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	112.6	178.7	-177.6	-11.7	0	0	0	111.5	V58 C60 T61 Y78 M82 Q104	V58-N80 PolarHBondContact O-N 3.14Å; C60-N80 PolarHBondContact N-O 3.25Å; T61-N80 HydrophobicContact CG2-CB 4.46Å; T61-N80 VanDerWaalsContact CG2-CG 3.41Å; T61-N80 WeakPolarHBondContact CG2-OD1 3.29Å; Y78-N80 HydrophobicContact CD1-CB 4.35Å; Y78-N80 HydrophobicContact CE1-CB 3.65Å; N80-M82 WeakPolarHBondContact ND2-CE 3.19Å; N80-M82 WeakPolarHBondContact OD1-CB 3.43Å; N80-M82 WeakPolarHBondContact OD1-CG 3.19Å; N80-M82 PolarHBondContact OD1-N 3.18Å; N80-Q104 HydrophobicContact CB-CB 4.43Å; N80-Q104 PolarHBondContact ND2-OE1 3.12Å
81	L	98.3	Very high	96.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.24	C	C	.	.			trans	-116.7	19.7	179.5	-66	170.5	0	0	0	111.7	C60 L65 V68 P69 L79 N84 I86 F94 Q104 L105 N108	C60-L81 HydrophobicContact CB-CD2 3.83Å; L65-L81 HydrophobicContact CD1-CD2 4.44Å; V68-L81 HydrophobicContact CG1-CD1 4.06Å; V68-L81 HydrophobicContact CG2-CD1 4.25Å; P69-L81 HydrophobicContact CG-CD2 4.02Å; L79-L81 HydrophobicContact CD1-CD2 4.37Å; L79-L81 HydrophobicContact CD1-CG 4.19Å; L79-L81 HydrophobicContact CD2-CD1 4.02Å; L79-L81 HydrophobicContact CD2-CG 4.46Å; L79-L81 HydrophobicContact CG-CD1 4.19Å; L79-L81 HydrophobicContact CG-CG 4.1Å; L81-N84 PolarHBondContact O-ND2 3.06Å; L81-I86 HydrophobicContact CB-CD1 4.21Å; L81-I86 HydrophobicContact CD1-CD1 4.42Å; L81-F94 HydrophobicContact CD1-CE1 4.39Å; L81-Q104 WeakPolarHBondContact CA-O 3.45Å; L81-Q104 PolarHBondContact N-O 2.9Å; L81-L105 HydrophobicContact CB-CD2 4.05Å; L81-L105 HydrophobicContact CD1-CD2 3.77Å; L81-N108 PolarHBondContact O-ND2 2.81Å
82	M	98	Very high	96.9	Very high	35 Å²	35	45.4 Å²	45.4	17%	0.172	23%	0.227	C	C	.	.			trans	-66.7	156.6	-176.9	-64.3	-170.4	-69.3	0	0	113.5	T61 R62 N80 N84 Q104 G106 F130	T61-M82 VanDerWaalsContact CA-O 3.22Å; T61-M82 WeakPolarHBondContact CA-O 3.43Å; T61-M82 HydrophobicContact CG2-CB 4.26Å; R62-M82 PolarHBondContact N-O 3.01Å; N80-M82 WeakPolarHBondContact ND2-CE 3.19Å; N80-M82 WeakPolarHBondContact OD1-CB 3.43Å; N80-M82 WeakPolarHBondContact OD1-CG 3.19Å; N80-M82 PolarHBondContact OD1-N 3.18Å; M82-N84 PolarHBondContact O-ND2 3.04Å; M82-Q104 HydrophobicContact CG-CB 3.84Å; M82-Q104 HydrophobicContact SD-CB 4.26Å; M82-G106 WeakPolarHBondContact CA-O 3.38Å; M82-G106 WeakPolarHBondContact CB-O 3.34Å; M82-G106 WeakPolarHBondContact CG-O 3.28Å; M82-F130 HydrophobicContact SD-CE1 4.46Å; M82-F130 HydrophobicContact SD-CZ 3.83Å
83	E	97.7	Very high	97	Very high	61 Å²	61	45.8 Å²	45.8	29%	0.285	23%	0.231	S	C	.	.	S	Bend	trans	58.9	48.9	176.8	-57.6	-176.5	-171.4	0	0	112.1	R62 G106 R107	R62-E83 VanDerWaalsContact CA-O 3.26Å; R62-E83 WeakPolarHBondContact CA-O 3.42Å; R62-E83 WeakPolarHBondContact CD-OE2 3.46Å; R62-E83 HydrophobicContact CG-CB 3.91Å; R62-E83 VanDerWaalsContact CG-OE2 3.23Å; R62-E83 WeakPolarHBondContact CG-OE2 3.39Å; R62-E83 IonicContact CZ-OE2 3.9Å; R62-E83 PolarHBondContact N-O 3.08Å; R62-E83 IonicContact NE-OE2 3.34Å; R62-E83 PolarHBondContact NE-OE2 3.38Å; R62-E83 IonicContact NH2-OE1 2.72Å; R62-E83 IonicContact NH2-OE2 3.05Å; R62-E83 PolarHBondContact NH2-OE2 3.08Å; R62-E83 VanDerWaalsContact NH2-OE2 3.15Å; E83-G106 PolarHBondContact N-O 3.33Å; E83-R107 WeakPolarHBondContact CA-O 3.42Å; E83-R107 HydrophobicContact CG-CB 3.97Å; E83-R107 PolarHBondContact N-O 3.04Å; E83-R107 VanDerWaalsContact N-O 3.08Å; E83-R107 IonicContact OE1-CZ 3.22Å; E83-R107 IonicContact OE1-NH1 3.98Å; E83-R107 PolarHBondContact OE1-NH1 3.47Å
84	N	98.2	Very high	97	Very high	6 Å²	6	45.6 Å²	45.6	3%	0.032	23%	0.229	C	C	.	.	S	Bend	trans	-124.8	-175.6	173	-74.5	-62.4	0	0	0	110.3	C60 R63 G64 L65 L81 M82 I86 R107 N108	C60-N84 PolarHBondContact O-ND2 3.26Å; R63-N84 WeakPolarHBondContact CA-OD1 3.46Å; R63-N84 PolarHBondContact N-OD1 3.45Å; G64-N84 PolarHBondContact N-OD1 3.24Å; G64-N84 VanDerWaalsContact N-OD1 3.08Å; L65-N84 HydrophobicContact CB-CB 4.11Å; L65-N84 PolarHBondContact N-OD1 3.06Å; L65-N84 VanDerWaalsContact N-OD1 3.14Å; L81-N84 PolarHBondContact O-ND2 3.06Å; M82-N84 PolarHBondContact O-ND2 3.04Å; N84-I86 HydrophobicContact CB-CD1 4.4Å; N84-I86 HydrophobicContact CB-CG1 4.19Å; N84-R107 PolarHBondContact N-O 2.88Å; N84-N108 WeakPolarHBondContact CA-OD1 3.26Å; N84-N108 WeakPolarHBondContact CB-OD1 3.37Å; N84-N108 WeakPolarHBondContact O-CA 3.34Å; N84-N108 PolarHBondContact O-OD1 2.75Å
85	N	98.1	Very high	97.1	Very high	86 Å²	86	49.8 Å²	49.8	46%	0.46	24%	0.238	S	C	.	.			trans	-110.1	26.8	-176.9	-59.9	-44.3	0	0	0	111.8	L65 Q87	L65-N85 CarbonylContact O-C 3.11Å; L65-N85 VanDerWaalsContact O-CA 3.29Å; L65-N85 WeakPolarHBondContact O-CA 3.38Å; L65-N85 PolarHBondContact O-N 3.42Å; N85-Q87 WeakPolarHBondContact O-CG 3.08Å; N85-Q87 PolarHBondContact O-N 3.1Å
86	I	98.1	Very high	97.1	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.249	C	C	.	.			trans	-66	125.9	-175.7	-57.7	170	0	0	0	108.8	L65 S66 V68 L81 N84 I89 N108 S109 I110	L65-I86 PolarHBondContact O-N 3.24Å; S66-I86 WeakPolarHBondContact O-CA 3.29Å; V68-I86 HydrophobicContact CG2-CD1 4.25Å; V68-I86 HydrophobicContact CG2-CG2 4.48Å; L81-I86 HydrophobicContact CB-CD1 4.21Å; L81-I86 HydrophobicContact CD1-CD1 4.42Å; N84-I86 HydrophobicContact CB-CD1 4.4Å; N84-I86 HydrophobicContact CB-CG1 4.19Å; I86-I89 HydrophobicContact CG2-CD1 3.79Å; I86-N108 HydrophobicContact CB-CB 4.41Å; I86-N108 WeakPolarHBondContact CB-OD1 3.48Å; I86-N108 WeakPolarHBondContact CG1-OD1 3.49Å; I86-N108 PolarHBondContact N-OD1 2.81Å; I86-S109 CarbonylContact O-C 3.5Å; I86-S109 VanDerWaalsContact O-CA 3.3Å; I86-S109 WeakPolarHBondContact O-CA 3.39Å; I86-S109 PolarHBondContact O-N 3.44Å; I86-I110 HydrophobicContact CG2-CG1 4.37Å; I86-I110 WeakPolarHBondContact O-CG1 3.36Å; I86-I110 PolarHBondContact O-N 2.91Å
87	Q	97.1	Very high	97.1	Very high	116 Å²	116	53 Å²	53	54%	0.542	25%	0.251	S	S	.	.			trans	-103.1	-28.1	-173.9	-61.9	-174.6	10.2	0	0	114.4	N85 S109 I110 R111	N85-Q87 WeakPolarHBondContact O-CG 3.08Å; N85-Q87 PolarHBondContact O-N 3.1Å; Q87-S109 WeakPolarHBondContact CA-O 3.44Å; Q87-I110 WeakPolarHBondContact O-CA 3.49Å; Q87-R111 PolarHBondContact O-N 2.89Å
88	M	97.5	Very high	97	Very high	74 Å²	74	51.4 Å²	51.4	37%	0.365	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	143.2	-175.3	-177.3	-176.7	-70.9	0	0	109.6	Q90 Q112	M88-Q90 HydrophobicContact SD-CG 4.36Å; M88-Q112 WeakPolarHBondContact CA-O 3.3Å; M88-Q112 HydrophobicContact CE-CB 4.42Å; M88-Q112 HydrophobicContact CG-CB 4.49Å
89	I	97.9	Very high	96.9	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	113.4	168	-49.5	-61.1	0	0	0	107.8	V68 I86 F94 L105 I110 Q112 I113 E114 A117	V68-I89 HydrophobicContact CG2-CD1 4.04Å; I86-I89 HydrophobicContact CG2-CD1 3.79Å; I89-F94 HydrophobicContact CG2-CE2 3.75Å; I89-F94 HydrophobicContact CG2-CZ 4.47Å; I89-L105 HydrophobicContact CD1-CD1 4.18Å; I89-L105 HydrophobicContact CD1-CD2 4.08Å; I89-L105 HydrophobicContact CG1-CD1 4.37Å; I89-I110 HydrophobicContact CD1-CD1 4.05Å; I89-I110 HydrophobicContact CD1-CG1 4.49Å; I89-I110 HydrophobicContact CG1-CD1 4.15Å; I89-I110 HydrophobicContact CG1-CG2 4.32Å; I89-Q112 PolarHBondContact N-O 2.89Å; I89-I113 HydrophobicContact CB-CG1 4.46Å; I89-I113 HydrophobicContact CB-CG2 4.32Å; I89-I113 HydrophobicContact CG1-CG1 4.33Å; I89-E114 PolarHBondContact O-N 3.03Å; I89-A117 HydrophobicContact CB-CB 4.36Å; I89-A117 HydrophobicContact CG2-CB 3.78Å
90	Q	96.4	Very high	96.9	Very high	110 Å²	110	52.9 Å²	52.9	51%	0.514	26%	0.258	S	S	.	.			trans	-78	158.5	-178.4	-68.6	177	-22.9	0	0	111.5	M88 T93 E114 A117	M88-Q90 HydrophobicContact SD-CG 4.36Å; Q90-T93 PolarHBondContact N-OG1 3.15Å; Q90-T93 WeakPolarHBondContact O-CB 3.46Å; Q90-T93 PolarHBondContact O-N 3.47Å; Q90-T93 PolarHBondContact O-OG1 3.28Å; Q90-E114 WeakPolarHBondContact CA-OE2 3.33Å; Q90-A117 WeakPolarHBondContact O-CA 3.39Å
91	A	96.6	Very high	96.9	Very high	46 Å²	46	56 Å²	56	38%	0.38	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	142.9	172.3	0	0	0	0	0	111.6	T93 E114	A91-T93 PolarHBondContact O-N 2.8Å; A91-E114 HydrophobicContact CB-CB 4.47Å; A91-E114 PolarHBondContact N-OE2 2.82Å
92	D	95.6	Very high	96.9	Very high	55 Å²	55	57.4 Å²	57.4	29%	0.294	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	12.6	177.6	-69.6	-13.6	0	0	0	116.1	F94 R95 G116 N119	D92-F94 PolarHBondContact O-N 3Å; D92-R95 HydrophobicContact CB-CB 3.99Å; D92-R95 VanDerWaalsContact O-CB 3.25Å; D92-R95 WeakPolarHBondContact O-CB 3.38Å; D92-R95 PolarHBondContact O-N 2.81Å; D92-R95 IonicContact OD2-CZ 3.86Å; D92-R95 IonicContact OD2-NH1 2.88Å; D92-R95 PolarHBondContact OD2-NH1 2.97Å; D92-G116 PolarHBondContact N-O 2.72Å; D92-N119 VanDerWaalsContact OD1-CB 3.29Å; D92-N119 WeakPolarHBondContact OD1-CB 3.38Å; D92-N119 PolarHBondContact OD1-ND2 3.11Å
93	T	96.2	Very high	96.9	Very high	37 Å²	37	55.8 Å²	55.8	23%	0.227	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-37.5	179.4	-64.5	0	0	0	0	112.5	V68 Q90 A91	V68-T93 HydrophobicContact CB-CG2 3.75Å; V68-T93 HydrophobicContact CG1-CG2 3.75Å; V68-T93 HydrophobicContact CG2-CG2 3.85Å; Q90-T93 PolarHBondContact N-OG1 3.15Å; Q90-T93 WeakPolarHBondContact O-CB 3.46Å; Q90-T93 PolarHBondContact O-N 3.47Å; Q90-T93 PolarHBondContact O-OG1 3.28Å; A91-T93 PolarHBondContact O-N 2.8Å
94	F	96	Very high	97	Very high	1 Å²	1	53.6 Å²	53.6	0%	0.004	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111	16.6	-177	-51.4	-71.6	0	0	0	114.1	V68 L79 L81 I89 D92 H96 L97 L103 L105 F118 L121	V68-F94 HydrophobicContact CG1-CE1 3.77Å; V68-F94 HydrophobicContact CG1-CZ 4.27Å; V68-F94 HydrophobicContact CG2-CE1 4.43Å; V68-F94 HydrophobicContact CG2-CZ 4.1Å; L79-F94 HydrophobicContact CD2-CD1 4.23Å; L79-F94 HydrophobicContact CD2-CE1 3.92Å; L81-F94 HydrophobicContact CD1-CE1 4.39Å; I89-F94 HydrophobicContact CG2-CE2 3.75Å; I89-F94 HydrophobicContact CG2-CZ 4.47Å; D92-F94 PolarHBondContact O-N 3Å; F94-H96 PolarHBondContact O-N 2.03Å; F94-L97 HydrophobicContact CB-CD1 4.16Å; F94-L97 HydrophobicContact CD1-CD1 3.86Å; F94-L97 HydrophobicContact CG-CD1 4.49Å; F94-L97 WeakPolarHBondContact O-CB 3.38Å; F94-L97 PolarHBondContact O-N 2.97Å; F94-L103 HydrophobicContact CD2-CD2 4.06Å; F94-L103 HydrophobicContact CE1-CD1 4.15Å; F94-L103 HydrophobicContact CE1-CD2 4.45Å; F94-L103 HydrophobicContact CE2-CD2 3.78Å; F94-L103 HydrophobicContact CZ-CD1 4.15Å; F94-L103 HydrophobicContact CZ-CD2 4Å; F94-L105 HydrophobicContact CE2-CD1 4.48Å; F94-L105 HydrophobicContact CZ-CD1 4.38Å; F94-F118 HydrophobicContact CD2-CD1 4.13Å; F94-F118 HydrophobicContact CD2-CE1 4.49Å; F94-F118 HydrophobicContact CE2-CD1 4.28Å; F94-F118 HydrophobicContact CE2-CE1 4.17Å; F94-L121 HydrophobicContact CB-CD1 3.97Å; F94-L121 HydrophobicContact CB-CD2 3.7Å; F94-L121 HydrophobicContact CB-CG 3.99Å; F94-L121 HydrophobicContact CD2-CD1 4.29Å; F94-L121 HydrophobicContact CG-CD1 4.37Å
95	R	95.2	Very high	97	Very high	134 Å²	134	53.3 Å²	53.3	51%	0.506	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-35.2	-168.8	179	171.6	175.9	166.5	-4.2	115.4	D92 H98 N119	D92-R95 HydrophobicContact CB-CB 3.99Å; D92-R95 VanDerWaalsContact O-CB 3.25Å; D92-R95 WeakPolarHBondContact O-CB 3.38Å; D92-R95 PolarHBondContact O-N 2.81Å; D92-R95 IonicContact OD2-CZ 3.86Å; D92-R95 IonicContact OD2-NH1 2.88Å; D92-R95 PolarHBondContact OD2-NH1 2.97Å; R95-H98 PolarHBondContact O-CE1 2.83Å; R95-N119 WeakPolarHBondContact CA-O 3.49Å
96	H	94.4	Very high	97	Very high	135 Å²	135	49.2 Å²	49.2	63%	0.625	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-4.8	-174.9	-49.1	95.4	0	0	0	113.7	F94 H98	F94-H96 PolarHBondContact O-N 2.03Å; H96-H98 VanDerWaalsContact C-N 3.32Å; H96-H98 PolarHBondContact O-N 2.9Å; H96-H98 VanDerWaalsContact O-N 3.16Å
97	L	95.9	Very high	97	Very high	7 Å²	7	55.4 Å²	55.4	4%	0.037	26%	0.262	C	S	.	.			trans	-91.7	57	-173.2	-54.7	-176.5	0	0	0	111.9	I72 P73 L79 F94 H99 L100 L121	I72-L97 HydrophobicContact CB-CD2 4.27Å; I72-L97 HydrophobicContact CG2-CD1 4.07Å; I72-L97 HydrophobicContact CG2-CD2 3.89Å; P73-L97 WeakPolarHBondContact O-CD2 3.19Å; L79-L97 HydrophobicContact CD2-CD1 4.17Å; F94-L97 HydrophobicContact CB-CD1 4.16Å; F94-L97 HydrophobicContact CD1-CD1 3.86Å; F94-L97 HydrophobicContact CG-CD1 4.49Å; F94-L97 WeakPolarHBondContact O-CB 3.38Å; F94-L97 PolarHBondContact O-N 2.97Å; L97-H99 PolarHBondContact O-N 3.41Å; L97-H99 VanDerWaalsContact O-N 3.13Å; L97-L100 HydrophobicContact CB-CB 4Å; L97-L100 HydrophobicContact CB-CD2 4.43Å; L97-L100 HydrophobicContact CD1-CD2 4.13Å; L97-L100 VanDerWaalsContact O-CB 3.3Å; L97-L100 WeakPolarHBondContact O-CB 3.4Å; L97-L100 PolarHBondContact O-N 3.11Å; L97-L121 HydrophobicContact CB-CD2 3.92Å; L97-L121 WeakPolarHBondContact O-CD2 3.41Å
98	H	95.4	Very high	97.1	Very high	101 Å²	101	50.1 Å²	50.1	47%	0.468	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-22.4	-175	-57.6	-52	0	0	0	114.6	R95 H96 G120 S123	R95-H98 PolarHBondContact O-CE1 2.83Å; H96-H98 VanDerWaalsContact C-N 3.32Å; H96-H98 PolarHBondContact O-N 2.9Å; H96-H98 VanDerWaalsContact O-N 3.16Å; H98-G120 PolarHBondContact ND1-O 3.16Å; H98-S123 WeakPolarHBondContact O-CB 3.48Å; H98-S123 PolarHBondContact O-OG 2.87Å
99	H	96.2	Very high	97.1	Very high	93 Å²	93	48 Å²	48	43%	0.431	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-1.1	178.9	-58.4	105.1	0	0	0	113.7	S74 T76 R77 L97 E101	S74-H99 PolarHBondContact O-ND1 2.82Å; T76-H99 CarbonylContact O-C 3.59Å; R77-H99 HydrophobicContact CG-CB 4.42Å; L97-H99 PolarHBondContact O-N 3.41Å; L97-H99 VanDerWaalsContact O-N 3.13Å; H99-E101 PolarHBondContact O-N 2.93Å
100	L	97.8	Very high	97.1	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.23	C	C	.	.			trans	-67.6	122	-176	-165	71.2	0	0	0	110.3	T76 L79 L97 L103 L121 S123 L124	T76-L100 HydrophobicContact CG2-CD1 3.83Å; T76-L100 WeakPolarHBondContact O-CA 2.98Å; T76-L100 PolarHBondContact O-N 2.9Å; L79-L100 HydrophobicContact CB-CD1 3.66Å; L97-L100 HydrophobicContact CB-CB 4Å; L97-L100 HydrophobicContact CB-CD2 4.43Å; L97-L100 HydrophobicContact CD1-CD2 4.13Å; L97-L100 VanDerWaalsContact O-CB 3.3Å; L97-L100 WeakPolarHBondContact O-CB 3.4Å; L97-L100 PolarHBondContact O-N 3.11Å; L100-L103 HydrophobicContact CD2-CB 3.98Å; L100-L103 HydrophobicContact CD2-CD1 4.26Å; L100-L103 HydrophobicContact CD2-CD2 4.41Å; L100-L103 HydrophobicContact CD2-CG 4.45Å; L100-L121 HydrophobicContact CB-CD2 3.97Å; L100-L121 HydrophobicContact CD2-CD1 4.47Å; L100-L121 HydrophobicContact CD2-CD2 3.79Å; L100-S123 CarbonylContact O-C 3.59Å; L100-L124 HydrophobicContact CD2-CD1 4.2Å; L100-L124 HydrophobicContact CG-CD1 4.23Å; L100-L124 WeakPolarHBondContact O-CA 3.39Å; L100-L124 PolarHBondContact O-N 2.9Å
101	E	98.3	Very high	97.2	Very high	79 Å²	79	49.4 Å²	49.4	37%	0.369	23%	0.231	S	C	.	.			trans	-103.7	-37.6	179.7	-67.7	172.2	-159	0	0	110.9	R77 H99 N125 T126	R77-E101 IonicContact CZ-OE1 3.1Å; R77-E101 IonicContact NE-OE1 3.71Å; R77-E101 IonicContact NH1-OE1 3.52Å; R77-E101 PolarHBondContact NH1-OE1 2.8Å; R77-E101 PolarHBondContact O-N 3.39Å; H99-E101 PolarHBondContact O-N 2.93Å; E101-N125 WeakPolarHBondContact O-CA 3.44Å; E101-N125 WeakPolarHBondContact O-CB 3.41Å; E101-N125 PolarHBondContact O-N 3.19Å; E101-T126 PolarHBondContact O-N 3.5Å
102	V	98.6	Very high	97.2	Very high	30 Å²	30	52.1 Å²	52.1	18%	0.182	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	120.8	-178.1	-176.8	0	0	0	0	110.2	R77 Y78 L79 Q104 T126	R77-V102 PolarHBondContact O-N 3.14Å; Y78-V102 HydrophobicContact CD2-CB 3.68Å; Y78-V102 HydrophobicContact CD2-CG1 3.77Å; Y78-V102 HydrophobicContact CD2-CG2 4.2Å; Y78-V102 HydrophobicContact CE2-CB 4.24Å; Y78-V102 HydrophobicContact CE2-CG1 3.8Å; Y78-V102 HydrophobicContact CG-CB 4.46Å; L79-V102 PolarHBondContact N-O 3.18Å; V102-Q104 HydrophobicContact CG1-CG 3.95Å; V102-T126 WeakPolarHBondContact CA-O 3.44Å; V102-T126 HydrophobicContact CG1-CG2 4.4Å
103	L	98.5	Very high	97.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	113.3	175	177.5	55.2	0	0	0	110.1	L79 F94 L100 L105 F118 L121 L124 T126 L127 E128	L79-L103 HydrophobicContact CB-CD1 4.22Å; L79-L103 HydrophobicContact CD2-CD1 3.83Å; L79-L103 HydrophobicContact CG-CD1 4.11Å; F94-L103 HydrophobicContact CD2-CD2 4.06Å; F94-L103 HydrophobicContact CE1-CD1 4.15Å; F94-L103 HydrophobicContact CE1-CD2 4.45Å; F94-L103 HydrophobicContact CE2-CD2 3.78Å; F94-L103 HydrophobicContact CZ-CD1 4.15Å; F94-L103 HydrophobicContact CZ-CD2 4Å; L100-L103 HydrophobicContact CD2-CB 3.98Å; L100-L103 HydrophobicContact CD2-CD1 4.26Å; L100-L103 HydrophobicContact CD2-CD2 4.41Å; L100-L103 HydrophobicContact CD2-CG 4.45Å; L103-L105 HydrophobicContact CD1-CD1 4.37Å; L103-L105 HydrophobicContact CD1-CG 4.12Å; L103-L105 HydrophobicContact CD2-CD1 3.95Å; L103-L105 HydrophobicContact CG-CD1 4.02Å; L103-L105 HydrophobicContact CG-CG 4.1Å; L103-F118 HydrophobicContact CD2-CD1 4.17Å; L103-F118 HydrophobicContact CD2-CE1 3.98Å; L103-L121 HydrophobicContact CD2-CD1 4.2Å; L103-L124 HydrophobicContact CB-CD1 3.77Å; L103-T126 PolarHBondContact N-O 3.33Å; L103-L127 HydrophobicContact CB-CD1 4.11Å; L103-L127 HydrophobicContact CD2-CD1 3.89Å; L103-L127 HydrophobicContact CG-CD1 4Å; L103-E128 PolarHBondContact O-N 3.47Å
104	Q	98.7	Very high	97.3	Very high	16 Å²	16	51.8 Å²	51.8	8%	0.075	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	108.2	178.8	-49.2	-172.1	-51.5	0	0	111.8	Y78 L79 N80 L81 M82 V102 E128	Y78-Q104 VanDerWaalsContact OH-CD 3.25Å; Y78-Q104 PolarHBondContact OH-NE2 3.49Å; Y78-Q104 PolarHBondContact OH-OE1 3.41Å; L79-Q104 PolarHBondContact O-N 3.38Å; N80-Q104 HydrophobicContact CB-CB 4.43Å; N80-Q104 PolarHBondContact ND2-OE1 3.12Å; L81-Q104 WeakPolarHBondContact CA-O 3.45Å; L81-Q104 PolarHBondContact N-O 2.9Å; M82-Q104 HydrophobicContact CG-CB 3.84Å; M82-Q104 HydrophobicContact SD-CB 4.26Å; V102-Q104 HydrophobicContact CG1-CG 3.95Å; Q104-E128 HydrophobicContact CB-CB 4.5Å; Q104-E128 VanDerWaalsContact CD-OE2 3.29Å; Q104-E128 VanDerWaalsContact CG-OE2 3.24Å; Q104-E128 WeakPolarHBondContact CG-OE2 3.31Å; Q104-E128 VanDerWaalsContact NE2-CD 3.29Å; Q104-E128 PolarHBondContact NE2-OE1 3Å; Q104-E128 PolarHBondContact NE2-OE2 3.25Å
105	L	98.4	Very high	97.3	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	26%	0.258	C	S	.	.			trans	-116.4	11.5	176.9	-71.5	167.6	0	0	0	111.9	L81 I89 F94 L103 N108 I110 F118 E128 L129 N132	L81-L105 HydrophobicContact CB-CD2 4.05Å; L81-L105 HydrophobicContact CD1-CD2 3.77Å; I89-L105 HydrophobicContact CD1-CD1 4.18Å; I89-L105 HydrophobicContact CD1-CD2 4.08Å; I89-L105 HydrophobicContact CG1-CD1 4.37Å; F94-L105 HydrophobicContact CE2-CD1 4.48Å; F94-L105 HydrophobicContact CZ-CD1 4.38Å; L103-L105 HydrophobicContact CD1-CD1 4.37Å; L103-L105 HydrophobicContact CD1-CG 4.12Å; L103-L105 HydrophobicContact CD2-CD1 3.95Å; L103-L105 HydrophobicContact CG-CD1 4.02Å; L103-L105 HydrophobicContact CG-CG 4.1Å; L105-N108 PolarHBondContact O-ND2 2.62Å; L105-I110 HydrophobicContact CB-CD1 3.91Å; L105-I110 HydrophobicContact CD1-CD1 4.48Å; L105-I110 HydrophobicContact CD2-CD1 4.37Å; L105-I110 HydrophobicContact CG-CD1 4.5Å; L105-F118 HydrophobicContact CD1-CE1 4.27Å; L105-E128 CarbonylContact C-O 3.45Å; L105-E128 WeakPolarHBondContact CA-O 3.42Å; L105-E128 WeakPolarHBondContact CB-O 3.29Å; L105-E128 PolarHBondContact N-O 2.79Å; L105-L129 HydrophobicContact CB-CD2 3.9Å; L105-L129 HydrophobicContact CD1-CD2 4Å; L105-N132 PolarHBondContact O-ND2 3.38Å
106	G	97.9	Very high	97.3	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.236	C	C	.	.			trans	-63.1	155.9	179.2	0	0	0	0	0	113.3	M82 E83 N108 E128 F130	M82-G106 WeakPolarHBondContact CA-O 3.38Å; M82-G106 WeakPolarHBondContact CB-O 3.34Å; M82-G106 WeakPolarHBondContact CG-O 3.28Å; E83-G106 PolarHBondContact N-O 3.33Å; G106-N108 PolarHBondContact O-N 3.04Å; G106-N108 PolarHBondContact O-ND2 3.36Å; G106-E128 PolarHBondContact N-O 2.8Å; G106-F130 CarbonylContact C-O 3.39Å; G106-F130 WeakPolarHBondContact CA-O 3.43Å
107	R	98.3	Very high	97.4	Very high	129 Å²	129	43.8 Å²	43.8	49%	0.487	21%	0.206	S	C	.	.	S	Bend	trans	54.1	53.5	-178.9	-61.5	176.6	178.6	174.7	0.5	112.5	E83 N84 F130 D131	E83-R107 WeakPolarHBondContact CA-O 3.42Å; E83-R107 HydrophobicContact CG-CB 3.97Å; E83-R107 PolarHBondContact N-O 3.04Å; E83-R107 VanDerWaalsContact N-O 3.08Å; E83-R107 IonicContact OE1-CZ 3.22Å; E83-R107 IonicContact OE1-NH1 3.98Å; E83-R107 PolarHBondContact OE1-NH1 3.47Å; N84-R107 PolarHBondContact N-O 2.88Å; R107-F130 HydrophobicContact CG-CE2 4.04Å; R107-F130 PolarHBondContact N-O 3.04Å; R107-D131 VanDerWaalsContact CA-O 3.29Å; R107-D131 WeakPolarHBondContact CA-O 3.47Å; R107-D131 HydrophobicContact CB-CB 4.33Å; R107-D131 HydrophobicContact CG-CB 3.67Å; R107-D131 VanDerWaalsContact CG-OD2 3.27Å; R107-D131 WeakPolarHBondContact CG-OD2 3.42Å; R107-D131 PolarHBondContact N-O 3.21Å; R107-D131 IonicContact NE-OD2 2.95Å; R107-D131 PolarHBondContact NE-OD2 2.98Å
108	N	98.4	Very high	97.5	Very high	6 Å²	6	43.6 Å²	43.6	3%	0.032	21%	0.205	C	C	.	.	S	Bend	trans	-122	-172.6	172.8	-86.4	-82	0	0	0	110.1	L81 N84 I86 L105 G106 I110 D131 N132	L81-N108 PolarHBondContact O-ND2 2.81Å; N84-N108 WeakPolarHBondContact CA-OD1 3.26Å; N84-N108 WeakPolarHBondContact CB-OD1 3.37Å; N84-N108 WeakPolarHBondContact O-CA 3.34Å; N84-N108 PolarHBondContact O-OD1 2.75Å; I86-N108 HydrophobicContact CB-CB 4.41Å; I86-N108 WeakPolarHBondContact CB-OD1 3.48Å; I86-N108 WeakPolarHBondContact CG1-OD1 3.49Å; I86-N108 PolarHBondContact N-OD1 2.81Å; L105-N108 PolarHBondContact O-ND2 2.62Å; G106-N108 PolarHBondContact O-N 3.04Å; G106-N108 PolarHBondContact O-ND2 3.36Å; N108-I110 HydrophobicContact CB-CD1 4.08Å; N108-I110 HydrophobicContact CB-CG1 3.86Å; N108-D131 PolarHBondContact N-O 3.13Å; N108-N132 WeakPolarHBondContact CA-OD1 3.48Å; N108-N132 WeakPolarHBondContact CB-OD1 3.24Å; N108-N132 PolarHBondContact N-OD1 3.41Å; N108-N132 PolarHBondContact O-OD1 2.76Å
109	S	98.1	Very high	97.5	Very high	29 Å²	29	41.1 Å²	41.1	20%	0.203	20%	0.195	C	C	.	.			trans	-105.2	27.7	176	-64.1	0	0	0	0	112	I86 Q87 R111	I86-S109 CarbonylContact O-C 3.5Å; I86-S109 VanDerWaalsContact O-CA 3.3Å; I86-S109 WeakPolarHBondContact O-CA 3.39Å; I86-S109 PolarHBondContact O-N 3.44Å; Q87-S109 WeakPolarHBondContact CA-O 3.44Å; S109-R111 PolarHBondContact O-N 2.99Å
110	I	98.5	Very high	97.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.19	C	C	.	.			trans	-68.3	117.2	-169.2	-58.2	167.9	0	0	0	109.4	I86 Q87 I89 L105 N108 I113 L129 N132 W133 L134	I86-I110 HydrophobicContact CG2-CG1 4.37Å; I86-I110 WeakPolarHBondContact O-CG1 3.36Å; I86-I110 PolarHBondContact O-N 2.91Å; Q87-I110 WeakPolarHBondContact O-CA 3.49Å; I89-I110 HydrophobicContact CD1-CD1 4.05Å; I89-I110 HydrophobicContact CD1-CG1 4.49Å; I89-I110 HydrophobicContact CG1-CD1 4.15Å; I89-I110 HydrophobicContact CG1-CG2 4.32Å; L105-I110 HydrophobicContact CB-CD1 3.91Å; L105-I110 HydrophobicContact CD1-CD1 4.48Å; L105-I110 HydrophobicContact CD2-CD1 4.37Å; L105-I110 HydrophobicContact CG-CD1 4.5Å; N108-I110 HydrophobicContact CB-CD1 4.08Å; N108-I110 HydrophobicContact CB-CG1 3.86Å; I110-I113 HydrophobicContact CG2-CD1 4.24Å; I110-I113 HydrophobicContact CG2-CG1 3.8Å; I110-L129 HydrophobicContact CD1-CD2 4.16Å; I110-N132 HydrophobicContact CB-CB 4.25Å; I110-N132 VanDerWaalsContact CB-OD1 3.26Å; I110-N132 WeakPolarHBondContact CB-OD1 3.49Å; I110-N132 VanDerWaalsContact CG1-OD1 3.3Å; I110-N132 WeakPolarHBondContact CG1-OD1 3.29Å; I110-N132 PolarHBondContact N-OD1 3.2Å; I110-W133 CarbonylContact O-C 3.04Å; I110-W133 VanDerWaalsContact O-CA 3.28Å; I110-W133 WeakPolarHBondContact O-CA 3.06Å; I110-W133 WeakPolarHBondContact O-CB 3.44Å; I110-W133 PolarHBondContact O-N 2.95Å; I110-L134 HydrophobicContact CG2-CD2 4.06Å; I110-L134 PolarHBondContact O-N 2.99Å
111	R	97.7	Very high	97.3	Very high	140 Å²	140	38.4 Å²	38.4	53%	0.528	19%	0.191	S	C	.	.			trans	-103.9	-28.8	177.8	-68.8	170.6	-175.3	-101.5	-2.1	112.5	Q87 S109 W133	Q87-R111 PolarHBondContact O-N 2.89Å; S109-R111 PolarHBondContact O-N 2.99Å; R111-W133 HydrophobicContact CG-CB 3.64Å; R111-W133 VanDerWaalsContact NH2-CE3 3.28Å; R111-W133 VanDerWaalsContact NH2-CZ3 3.33Å
112	Q	96.8	Very high	97.2	Very high	103 Å²	103	37.3 Å²	37.3	48%	0.481	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	139.3	-173.9	-174.4	175.9	-9	0	0	110.7	M88 I89	M88-Q112 WeakPolarHBondContact CA-O 3.3Å; M88-Q112 HydrophobicContact CE-CB 4.42Å; M88-Q112 HydrophobicContact CG-CB 4.49Å; I89-Q112 PolarHBondContact N-O 2.89Å
113	I	97.9	Very high	97.1	Very high	16 Å²	16	37.2 Å²	37.2	8%	0.082	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	120.2	172.4	-57.5	-174.9	0	0	0	106.4	I89 I110 A117 F118 L129 L134 P138 A141	I89-I113 HydrophobicContact CB-CG1 4.46Å; I89-I113 HydrophobicContact CB-CG2 4.32Å; I89-I113 HydrophobicContact CG1-CG1 4.33Å; I110-I113 HydrophobicContact CG2-CD1 4.24Å; I110-I113 HydrophobicContact CG2-CG1 3.8Å; I113-A117 HydrophobicContact CG2-CB 3.54Å; I113-F118 HydrophobicContact CD1-CE2 4.41Å; I113-F118 HydrophobicContact CD1-CZ 4.11Å; I113-F118 HydrophobicContact CG2-CE2 3.79Å; I113-F118 HydrophobicContact CG2-CZ 4Å; I113-L129 HydrophobicContact CD1-CD1 3.86Å; I113-L129 HydrophobicContact CD1-CD2 3.79Å; I113-L134 HydrophobicContact CD1-CD1 4.37Å; I113-L134 HydrophobicContact CD1-CD2 4.23Å; I113-L134 HydrophobicContact CG1-CD2 4.09Å; I113-P138 HydrophobicContact CB-CB 4.07Å; I113-P138 HydrophobicContact CB-CG 4.29Å; I113-P138 HydrophobicContact CD1-CG 4.1Å; I113-A141 HydrophobicContact CB-CB 4.44Å; I113-A141 HydrophobicContact CG2-CB 3.57Å
114	E	97	Very high	97	Very high	68 Å²	68	37.3 Å²	37.3	32%	0.318	20%	0.197	S	C	.	.			trans	-71.5	156	-179.4	-67.3	-174.6	164.3	0	0	112	I89 Q90 A91 G116 A117	I89-E114 PolarHBondContact O-N 3.03Å; Q90-E114 WeakPolarHBondContact CA-OE2 3.33Å; A91-E114 HydrophobicContact CB-CB 4.47Å; A91-E114 PolarHBondContact N-OE2 2.82Å; E114-G116 PolarHBondContact O-N 2.86Å; E114-A117 WeakPolarHBondContact O-CB 3.26Å; E114-A117 PolarHBondContact O-N 3.14Å; E114-A117 VanDerWaalsContact O-N 3.12Å
115	V	95.7	Very high	97	Very high	99 Å²	99	39.5 Å²	39.5	60%	0.6	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	131.3	169.8	178.7	0	0	0	0	108.4	A117	V115-A117 VanDerWaalsContact C-N 3.32Å; V115-A117 PolarHBondContact O-N 2.93Å
116	G	94.8	Very high	97	Very high	4 Å²	4	40.2 Å²	40.2	4%	0.041	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	9.7	-176.1	0	0	0	0	0	115.5	D92 E114 F118 N119	D92-G116 PolarHBondContact N-O 2.72Å; E114-G116 PolarHBondContact O-N 2.86Å; G116-F118 PolarHBondContact O-N 3.37Å; G116-N119 VanDerWaalsContact CA-CG 3.49Å; G116-N119 WeakPolarHBondContact CA-ND2 3.41Å; G116-N119 WeakPolarHBondContact CA-OD1 3.43Å; G116-N119 VanDerWaalsContact O-CB 3.32Å; G116-N119 WeakPolarHBondContact O-CB 3.3Å; G116-N119 PolarHBondContact O-N 3.22Å; G116-N119 VanDerWaalsContact O-N 3.14Å; G116-N119 PolarHBondContact O-ND2 3.02Å
117	A	97.4	Very high	97.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-34.1	173.5	0	0	0	0	0	113.6	I89 Q90 I113 E114 V115	I89-A117 HydrophobicContact CB-CB 4.36Å; I89-A117 HydrophobicContact CG2-CB 3.78Å; Q90-A117 WeakPolarHBondContact O-CA 3.39Å; I113-A117 HydrophobicContact CG2-CB 3.54Å; E114-A117 WeakPolarHBondContact O-CB 3.26Å; E114-A117 PolarHBondContact O-N 3.14Å; E114-A117 VanDerWaalsContact O-N 3.12Å; V115-A117 VanDerWaalsContact C-N 3.32Å; V115-A117 PolarHBondContact O-N 2.93Å
118	F	97.2	Very high	97.1	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.009	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	17.7	-177.9	-56.3	-56.1	0	0	0	113.6	F94 L103 L105 I113 G116 L121 L127 L129 A141 F142 L145	F94-F118 HydrophobicContact CD2-CD1 4.13Å; F94-F118 HydrophobicContact CD2-CE1 4.49Å; F94-F118 HydrophobicContact CE2-CD1 4.28Å; F94-F118 HydrophobicContact CE2-CE1 4.17Å; L103-F118 HydrophobicContact CD2-CD1 4.17Å; L103-F118 HydrophobicContact CD2-CE1 3.98Å; L105-F118 HydrophobicContact CD1-CE1 4.27Å; I113-F118 HydrophobicContact CD1-CE2 4.41Å; I113-F118 HydrophobicContact CD1-CZ 4.11Å; I113-F118 HydrophobicContact CG2-CE2 3.79Å; I113-F118 HydrophobicContact CG2-CZ 4Å; G116-F118 PolarHBondContact O-N 3.37Å; F118-L121 HydrophobicContact CB-CD1 3.99Å; F118-L121 HydrophobicContact CD1-CD1 4Å; F118-L121 HydrophobicContact CG-CD1 4.46Å; F118-L121 WeakPolarHBondContact O-CB 3.42Å; F118-L121 WeakPolarHBondContact O-CG 3.41Å; F118-L121 PolarHBondContact O-N 3.02Å; F118-L127 HydrophobicContact CD2-CD2 4.33Å; F118-L127 HydrophobicContact CE1-CD1 4.11Å; F118-L127 HydrophobicContact CE1-CD2 4.34Å; F118-L127 HydrophobicContact CE2-CD2 3.9Å; F118-L127 HydrophobicContact CZ-CD1 4.23Å; F118-L127 HydrophobicContact CZ-CD2 3.9Å; F118-L129 HydrophobicContact CZ-CD1 4.41Å; F118-A141 HydrophobicContact CD2-CB 3.98Å; F118-A141 WeakPolarHBondContact CD2-O 3.39Å; F118-A141 HydrophobicContact CE2-CB 3.98Å; F118-F142 HydrophobicContact CD2-CD1 4.4Å; F118-F142 HydrophobicContact CE2-CD1 4.36Å; F118-F142 HydrophobicContact CE2-CE1 4.24Å; F118-L145 HydrophobicContact CB-CD1 4.27Å; F118-L145 HydrophobicContact CB-CD2 4.15Å; F118-L145 HydrophobicContact CD2-CD1 4.5Å
119	N	95.5	Very high	97.1	Very high	50 Å²	50	35.1 Å²	35.1	27%	0.267	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	147.5	176.3	-76.4	-12.3	0	0	0	111.9	D92 R95 G116 L121	D92-N119 VanDerWaalsContact OD1-CB 3.29Å; D92-N119 WeakPolarHBondContact OD1-CB 3.38Å; D92-N119 PolarHBondContact OD1-ND2 3.11Å; R95-N119 WeakPolarHBondContact CA-O 3.49Å; G116-N119 VanDerWaalsContact CA-CG 3.49Å; G116-N119 WeakPolarHBondContact CA-ND2 3.41Å; G116-N119 WeakPolarHBondContact CA-OD1 3.43Å; G116-N119 VanDerWaalsContact O-CB 3.32Å; G116-N119 WeakPolarHBondContact O-CB 3.3Å; G116-N119 PolarHBondContact O-N 3.22Å; G116-N119 VanDerWaalsContact O-N 3.14Å; G116-N119 PolarHBondContact O-ND2 3.02Å; N119-L121 PolarHBondContact O-N 2.73Å
120	G	93.9	Very high	97.1	Very high	31 Å²	31	35.3 Å²	35.3	32%	0.32	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.8	-9.8	177.3	0	0	0	0	0	115.2	H98 A122	H98-G120 PolarHBondContact ND1-O 3.16Å; G120-A122 PolarHBondContact O-N 3.03Å
121	L	96.9	Very high	97.1	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.021	20%	0.202	C	C	.	.			trans	-78	54.8	-179.4	-64	-173.4	0	0	0	113.3	F94 L97 L100 L103 F118 N119 S123 L124 L145	F94-L121 HydrophobicContact CB-CD1 3.97Å; F94-L121 HydrophobicContact CB-CD2 3.7Å; F94-L121 HydrophobicContact CB-CG 3.99Å; F94-L121 HydrophobicContact CD2-CD1 4.29Å; F94-L121 HydrophobicContact CG-CD1 4.37Å; L97-L121 HydrophobicContact CB-CD2 3.92Å; L97-L121 WeakPolarHBondContact O-CD2 3.41Å; L100-L121 HydrophobicContact CB-CD2 3.97Å; L100-L121 HydrophobicContact CD2-CD1 4.47Å; L100-L121 HydrophobicContact CD2-CD2 3.79Å; L103-L121 HydrophobicContact CD2-CD1 4.2Å; F118-L121 HydrophobicContact CB-CD1 3.99Å; F118-L121 HydrophobicContact CD1-CD1 4Å; F118-L121 HydrophobicContact CG-CD1 4.46Å; F118-L121 WeakPolarHBondContact O-CB 3.42Å; F118-L121 WeakPolarHBondContact O-CG 3.41Å; F118-L121 PolarHBondContact O-N 3.02Å; N119-L121 PolarHBondContact O-N 2.73Å; L121-S123 PolarHBondContact O-N 3.47Å; L121-S123 VanDerWaalsContact O-N 3.11Å; L121-L124 HydrophobicContact CB-CB 4.01Å; L121-L124 HydrophobicContact CB-CD2 4.38Å; L121-L124 HydrophobicContact CD1-CD1 4.44Å; L121-L124 HydrophobicContact CD1-CD2 3.88Å; L121-L124 WeakPolarHBondContact O-CB 3.34Å; L121-L124 PolarHBondContact O-N 3.18Å; L121-L124 VanDerWaalsContact O-N 3.15Å; L121-L145 HydrophobicContact CB-CD2 4.14Å
122	A	94.4	Very high	97.2	Very high	56 Å²	56	30.9 Å²	30.9	46%	0.463	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-16.9	-174.5	0	0	0	0	0	114.8	G120 K147	G120-A122 PolarHBondContact O-N 3.03Å; A122-K147 WeakPolarHBondContact O-CD 3.36Å
123	S	96.6	Very high	97.2	Very high	29 Å²	29	32 Å²	32	20%	0.203	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-0.5	179.3	-59	0	0	0	0	114.1	H98 L100 L121 N125	H98-S123 WeakPolarHBondContact O-CB 3.48Å; H98-S123 PolarHBondContact O-OG 2.87Å; L100-S123 CarbonylContact O-C 3.59Å; L121-S123 PolarHBondContact O-N 3.47Å; L121-S123 VanDerWaalsContact O-N 3.11Å; S123-N125 PolarHBondContact O-N 3.2Å
124	L	98.2	Very high	97.2	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	18%	0.176	C	C	.	.			trans	-66.1	125.2	-170.7	-164.4	71.9	0	0	0	111.1	L100 L103 L121 L127 L145 K147 L148	L100-L124 HydrophobicContact CD2-CD1 4.2Å; L100-L124 HydrophobicContact CG-CD1 4.23Å; L100-L124 WeakPolarHBondContact O-CA 3.39Å; L100-L124 PolarHBondContact O-N 2.9Å; L103-L124 HydrophobicContact CB-CD1 3.77Å; L121-L124 HydrophobicContact CB-CB 4.01Å; L121-L124 HydrophobicContact CB-CD2 4.38Å; L121-L124 HydrophobicContact CD1-CD1 4.44Å; L121-L124 HydrophobicContact CD1-CD2 3.88Å; L121-L124 WeakPolarHBondContact O-CB 3.34Å; L121-L124 PolarHBondContact O-N 3.18Å; L121-L124 VanDerWaalsContact O-N 3.15Å; L124-L127 HydrophobicContact CD2-CB 4.29Å; L124-L145 HydrophobicContact CB-CD2 4.48Å; L124-L145 HydrophobicContact CD2-CD2 4.12Å; L124-K147 CarbonylContact O-C 3.34Å; L124-L148 HydrophobicContact CD2-CD1 4.02Å; L124-L148 HydrophobicContact CG-CD1 4.07Å; L124-L148 VanDerWaalsContact O-CA 3.28Å; L124-L148 WeakPolarHBondContact O-CA 3.17Å; L124-L148 PolarHBondContact O-N 3.09Å; L124-L148 VanDerWaalsContact O-N 3.1Å
125	N	98.3	Very high	97.3	Very high	63 Å²	63	31.1 Å²	31.1	34%	0.337	18%	0.179	S	C	.	.			trans	-110.8	-46	-177.9	-168.7	-58.1	0	0	0	110.8	E101 S123 L148 R149 E150	E101-N125 WeakPolarHBondContact O-CA 3.44Å; E101-N125 WeakPolarHBondContact O-CB 3.41Å; E101-N125 PolarHBondContact O-N 3.19Å; S123-N125 PolarHBondContact O-N 3.2Å; N125-L148 WeakPolarHBondContact O-CD1 3.17Å; N125-R149 PolarHBondContact O-N 2.88Å; N125-R149 WeakPolarHBondContact OD1-CB 3.48Å; N125-E150 PolarHBondContact O-N 3.45Å
126	T	98.7	Very high	97.4	Very high	14 Å²	14	30.4 Å²	30.4	9%	0.086	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	124.6	-177.9	-56.7	0	0	0	0	110.9	E101 V102 L103 E128 E150	E101-T126 PolarHBondContact O-N 3.5Å; V102-T126 WeakPolarHBondContact CA-O 3.44Å; V102-T126 HydrophobicContact CG1-CG2 4.4Å; L103-T126 PolarHBondContact N-O 3.33Å; T126-E128 HydrophobicContact CG2-CG 4.2Å; T126-E150 WeakPolarHBondContact CA-O 3.31Å; T126-E150 HydrophobicContact CG2-CB 4.03Å; T126-E150 PolarHBondContact OG1-OE2 3.32Å
127	L	98.5	Very high	97.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	115	173.9	178.6	58.2	0	0	0	110.2	L103 F118 L124 L129 F142 L148 E150 L151 W152	L103-L127 HydrophobicContact CB-CD1 4.11Å; L103-L127 HydrophobicContact CD2-CD1 3.89Å; L103-L127 HydrophobicContact CG-CD1 4Å; F118-L127 HydrophobicContact CD2-CD2 4.33Å; F118-L127 HydrophobicContact CE1-CD1 4.11Å; F118-L127 HydrophobicContact CE1-CD2 4.34Å; F118-L127 HydrophobicContact CE2-CD2 3.9Å; F118-L127 HydrophobicContact CZ-CD1 4.23Å; F118-L127 HydrophobicContact CZ-CD2 3.9Å; L124-L127 HydrophobicContact CD2-CB 4.29Å; L127-L129 HydrophobicContact CD1-CD1 4.48Å; L127-L129 HydrophobicContact CD1-CG 4.27Å; L127-L129 HydrophobicContact CD2-CD1 3.96Å; L127-L129 HydrophobicContact CG-CD1 4.07Å; L127-L129 HydrophobicContact CG-CG 4.17Å; L127-F142 HydrophobicContact CD2-CE1 4.17Å; L127-L148 HydrophobicContact CB-CD1 3.83Å; L127-E150 PolarHBondContact N-O 3.39Å; L127-L151 HydrophobicContact CB-CD1 4.12Å; L127-L151 HydrophobicContact CD2-CD1 3.93Å; L127-L151 HydrophobicContact CG-CD1 4.04Å; L127-W152 PolarHBondContact O-N 2.97Å
128	E	98.7	Very high	97.4	Very high	29 Å²	29	31.5 Å²	31.5	14%	0.136	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	115.8	178.1	-65.6	170.5	-161.3	0	0	111.2	L103 Q104 L105 G106 T126 F130 W152	L103-E128 PolarHBondContact O-N 3.47Å; Q104-E128 HydrophobicContact CB-CB 4.5Å; Q104-E128 VanDerWaalsContact CD-OE2 3.29Å; Q104-E128 VanDerWaalsContact CG-OE2 3.24Å; Q104-E128 WeakPolarHBondContact CG-OE2 3.31Å; Q104-E128 VanDerWaalsContact NE2-CD 3.29Å; Q104-E128 PolarHBondContact NE2-OE1 3Å; Q104-E128 PolarHBondContact NE2-OE2 3.25Å; L105-E128 CarbonylContact C-O 3.45Å; L105-E128 WeakPolarHBondContact CA-O 3.42Å; L105-E128 WeakPolarHBondContact CB-O 3.29Å; L105-E128 PolarHBondContact N-O 2.79Å; G106-E128 PolarHBondContact N-O 2.8Å; T126-E128 HydrophobicContact CG2-CG 4.2Å; E128-F130 HydrophobicContact CB-CD1 3.88Å; E128-F130 HydrophobicContact CB-CE1 3.78Å; E128-F130 HydrophobicContact CG-CD1 4.34Å; E128-F130 HydrophobicContact CG-CE1 4.05Å; E128-F130 WeakPolarHBondContact OE2-CE1 3.43Å; E128-W152 HydrophobicContact CG-CB 4.43Å; E128-W152 HydrophobicContact CG-CG 4.15Å
129	L	98.5	Very high	97.3	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.191	C	C	.	.			trans	-125.4	16.5	179.8	-74.9	168.5	0	0	0	112.4	L105 I110 I113 F118 L127 N132 W152 L153 N156	L105-L129 HydrophobicContact CB-CD2 3.9Å; L105-L129 HydrophobicContact CD1-CD2 4Å; I110-L129 HydrophobicContact CD1-CD2 4.16Å; I113-L129 HydrophobicContact CD1-CD1 3.86Å; I113-L129 HydrophobicContact CD1-CD2 3.79Å; F118-L129 HydrophobicContact CZ-CD1 4.41Å; L127-L129 HydrophobicContact CD1-CD1 4.48Å; L127-L129 HydrophobicContact CD1-CG 4.27Å; L127-L129 HydrophobicContact CD2-CD1 3.96Å; L127-L129 HydrophobicContact CG-CD1 4.07Å; L127-L129 HydrophobicContact CG-CG 4.17Å; L129-N132 PolarHBondContact O-ND2 3.18Å; L129-W152 CarbonylContact C-O 3.32Å; L129-W152 WeakPolarHBondContact CA-O 3.45Å; L129-W152 PolarHBondContact N-O 2.86Å; L129-L153 HydrophobicContact CB-CD2 3.84Å; L129-L153 HydrophobicContact CD1-CD2 4.04Å; L129-N156 PolarHBondContact O-ND2 3.01Å
130	F	98.4	Very high	97.2	Very high	32 Å²	32	32.3 Å²	32.3	14%	0.14	20%	0.195	C	C	.	.			trans	-68.2	160.4	-178	65	-95.9	0	0	0	113.7	M82 G106 R107 E128 N132 W152 R154	M82-F130 HydrophobicContact SD-CE1 4.46Å; M82-F130 HydrophobicContact SD-CZ 3.83Å; G106-F130 CarbonylContact C-O 3.39Å; G106-F130 WeakPolarHBondContact CA-O 3.43Å; R107-F130 HydrophobicContact CG-CE2 4.04Å; R107-F130 PolarHBondContact N-O 3.04Å; E128-F130 HydrophobicContact CB-CD1 3.88Å; E128-F130 HydrophobicContact CB-CE1 3.78Å; E128-F130 HydrophobicContact CG-CD1 4.34Å; E128-F130 HydrophobicContact CG-CE1 4.05Å; E128-F130 WeakPolarHBondContact OE2-CE1 3.43Å; F130-N132 PolarHBondContact O-N 3.2Å; F130-N132 PolarHBondContact O-ND2 2.82Å; F130-W152 HydrophobicContact CD1-CB 4.27Å; F130-W152 PolarHBondContact N-O 3.04Å; F130-R154 CarbonylContact C-O 3.56Å; F130-R154 WeakPolarHBondContact CA-O 3.09Å; F130-R154 HydrophobicContact CB-CG 3.34Å; F130-R154 WeakPolarHBondContact CB-O 3.46Å; F130-R154 HydrophobicContact CG-CG 4.26Å
131	D	98.5	Very high	97.3	Very high	40 Å²	40	30.9 Å²	30.9	21%	0.214	18%	0.181	C	C	.	.	S	Bend	trans	53	50.5	-179.4	-61	-27.4	0	0	0	111.9	R107 N108 R154 N155	R107-D131 VanDerWaalsContact CA-O 3.29Å; R107-D131 WeakPolarHBondContact CA-O 3.47Å; R107-D131 HydrophobicContact CB-CB 4.33Å; R107-D131 HydrophobicContact CG-CB 3.67Å; R107-D131 VanDerWaalsContact CG-OD2 3.27Å; R107-D131 WeakPolarHBondContact CG-OD2 3.42Å; R107-D131 PolarHBondContact N-O 3.21Å; R107-D131 IonicContact NE-OD2 2.95Å; R107-D131 PolarHBondContact NE-OD2 2.98Å; N108-D131 PolarHBondContact N-O 3.13Å; D131-R154 PolarHBondContact N-O 3.25Å; D131-N155 WeakPolarHBondContact CA-O 3.47Å; D131-N155 VanDerWaalsContact OD1-CB 3.3Å; D131-N155 WeakPolarHBondContact OD1-CB 3.48Å; D131-N155 PolarHBondContact OD1-ND2 3.26Å
132	N	98.6	Very high	97.1	Very high	7 Å²	7	30.8 Å²	30.8	4%	0.037	18%	0.18	C	C	.	.	S	Bend	trans	-123.7	-170.3	177.2	-86.2	-69.4	0	0	0	110.8	L105 N108 I110 L129 F130 N156 P157	L105-N132 PolarHBondContact O-ND2 3.38Å; N108-N132 WeakPolarHBondContact CA-OD1 3.48Å; N108-N132 WeakPolarHBondContact CB-OD1 3.24Å; N108-N132 PolarHBondContact N-OD1 3.41Å; N108-N132 PolarHBondContact O-OD1 2.76Å; I110-N132 HydrophobicContact CB-CB 4.25Å; I110-N132 VanDerWaalsContact CB-OD1 3.26Å; I110-N132 WeakPolarHBondContact CB-OD1 3.49Å; I110-N132 VanDerWaalsContact CG1-OD1 3.3Å; I110-N132 WeakPolarHBondContact CG1-OD1 3.29Å; I110-N132 PolarHBondContact N-OD1 3.2Å; L129-N132 PolarHBondContact O-ND2 3.18Å; F130-N132 PolarHBondContact O-N 3.2Å; F130-N132 PolarHBondContact O-ND2 2.82Å; N132-N156 VanDerWaalsContact CA-OD1 3.27Å; N132-N156 WeakPolarHBondContact CA-OD1 3.35Å; N132-N156 WeakPolarHBondContact CB-OD1 3.46Å; N132-N156 PolarHBondContact N-OD1 3.02Å; N132-N156 PolarHBondContact O-OD1 3.19Å; N132-P157 VanDerWaalsContact O-CD 3.29Å; N132-P157 WeakPolarHBondContact O-CD 3.48Å
133	W	98.3	Very high	96.8	Very high	128 Å²	128	31 Å²	31	49%	0.485	17%	0.172	S	C	.	.			trans	-116	27.6	-173.7	-66.5	62.3	0	0	0	112.1	I110 R111 T135 N156	I110-W133 CarbonylContact O-C 3.04Å; I110-W133 VanDerWaalsContact O-CA 3.28Å; I110-W133 WeakPolarHBondContact O-CA 3.06Å; I110-W133 WeakPolarHBondContact O-CB 3.44Å; I110-W133 PolarHBondContact O-N 2.95Å; R111-W133 HydrophobicContact CG-CB 3.64Å; R111-W133 VanDerWaalsContact NH2-CE3 3.28Å; R111-W133 VanDerWaalsContact NH2-CZ3 3.33Å; W133-T135 PolarHBondContact O-N 2.77Å; W133-N156 PolarHBondContact N-OD1 3.22Å
134	L	98.2	Very high	96.2	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.016	20%	0.195	C	C	.	.			trans	-71	119.8	178.8	-62	171.2	0	0	0	110.1	I110 I113 L153 N156 P157 I158	I110-L134 HydrophobicContact CG2-CD2 4.06Å; I110-L134 PolarHBondContact O-N 2.99Å; I113-L134 HydrophobicContact CD1-CD1 4.37Å; I113-L134 HydrophobicContact CD1-CD2 4.23Å; I113-L134 HydrophobicContact CG1-CD2 4.09Å; L134-L153 HydrophobicContact CD1-CD2 3.91Å; L134-N156 HydrophobicContact CB-CB 4.3Å; L134-N156 WeakPolarHBondContact CB-OD1 3.41Å; L134-N156 PolarHBondContact N-OD1 3.05Å; L134-N156 VanDerWaalsContact N-OD1 3.13Å; L134-P157 CarbonylContact O-C 3.17Å; L134-P157 VanDerWaalsContact O-C 3.26Å; L134-P157 VanDerWaalsContact O-CD 3.27Å; L134-P157 WeakPolarHBondContact O-CD 3.28Å; L134-P157 WeakPolarHBondContact O-CG 3.41Å; L134-I158 HydrophobicContact CB-CG1 4.5Å; L134-I158 WeakPolarHBondContact O-CG1 3.26Å; L134-I158 PolarHBondContact O-N 2.97Å
135	T	97.8	Very high	96	Very high	61 Å²	61	38.2 Å²	38.2	37%	0.374	20%	0.196	S	C	.	.	S	Bend	trans	-88.6	-18.8	175.1	56	0	0	0	0	113	W133 P157 I158 E159	W133-T135 PolarHBondContact O-N 2.77Å; T135-P157 WeakPolarHBondContact CA-O 3.46Å; T135-P157 HydrophobicContact CG2-CG 4.42Å; T135-I158 WeakPolarHBondContact O-CA 3.37Å; T135-E159 PolarHBondContact O-N 2.94Å
136	V	97.6	Very high	95.7	Very high	84 Å²	84	39.4 Å²	39.4	51%	0.509	21%	0.209	S	C	.	.	B	Isolated β-bridge	trans	-135.6	153.7	179.3	-62.7	0	0	0	0	110.3	P138	V136-P138 WeakPolarHBondContact O-CD 3.22Å
137	I	97.5	Very high	95.6	Very high	11 Å²	11	43.9 Å²	43.9	6%	0.056	23%	0.227	C	C	.	.			trans	-73.7	123.9	171.1	-65.4	164.3	0	0	0	108.5	S139 F142 I158 I161 A165 F166	I137-S139 PolarHBondContact O-N 2.82Å; I137-F142 HydrophobicContact CG2-CE2 3.87Å; I137-I158 HydrophobicContact CG1-CD1 3.97Å; I137-I158 HydrophobicContact CG1-CG2 4.16Å; I137-I161 HydrophobicContact CD1-CB 4.13Å; I137-I161 HydrophobicContact CD1-CG1 3.9Å; I137-I161 HydrophobicContact CD1-CG2 3.76Å; I137-A165 HydrophobicContact CD1-CB 4.31Å; I137-F166 HydrophobicContact CD1-CE1 4.3Å; I137-F166 HydrophobicContact CD1-CE2 4.25Å; I137-F166 HydrophobicContact CD1-CZ 3.6Å; I137-F166 HydrophobicContact CG1-CZ 4.43Å; I137-F166 HydrophobicContact CG2-CE1 3.83Å; I137-F166 HydrophobicContact CG2-CZ 4.23Å
138	P	95.9	Very high	95.6	Very high	16 Å²	16	43.9 Å²	43.9	10%	0.104	23%	0.227	C	C	.	.			trans	-81.9	65	-178	33.6	-34.6	0	0	0	111	I113 V136 G140 A141 F142	I113-P138 HydrophobicContact CB-CB 4.07Å; I113-P138 HydrophobicContact CB-CG 4.29Å; I113-P138 HydrophobicContact CD1-CG 4.1Å; V136-P138 WeakPolarHBondContact O-CD 3.22Å; P138-G140 PolarHBondContact O-N 3.4Å; P138-G140 VanDerWaalsContact O-N 3.11Å; P138-A141 HydrophobicContact CB-CB 4.04Å; P138-A141 WeakPolarHBondContact O-CB 3.4Å; P138-A141 PolarHBondContact O-N 3.41Å; P138-F142 HydrophobicContact CG-CE1 4.29Å; P138-F142 HydrophobicContact CG-CE2 4.34Å; P138-F142 HydrophobicContact CG-CZ 3.78Å
139	S	95.3	Very high	95.5	Very high	34 Å²	34	46.3 Å²	46.3	24%	0.238	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-54.4	-34.4	-174.7	-60.2	0	0	0	0	113.9	I137 A141 F142 A165	I137-S139 PolarHBondContact O-N 2.82Å; S139-A141 VanDerWaalsContact C-N 3.31Å; S139-A141 PolarHBondContact O-N 2.98Å; S139-F142 PolarHBondContact O-N 3Å; S139-A165 VanDerWaalsContact CB-O 3.3Å; S139-A165 WeakPolarHBondContact CB-O 3.27Å; S139-A165 WeakPolarHBondContact OG-CA 3.44Å; S139-A165 PolarHBondContact OG-O 3.26Å
140	G	93.6	Very high	95.5	Very high	35 Å²	35	48.1 Å²	48.1	36%	0.361	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-72.4	-18	176.4	0	0	0	0	0	114.6	P138 F142	P138-G140 PolarHBondContact O-N 3.4Å; P138-G140 VanDerWaalsContact O-N 3.11Å; G140-F142 VanDerWaalsContact C-N 3.34Å
141	A	94.9	Very high	95.6	Very high	2 Å²	2	46.6 Å²	46.6	2%	0.017	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-76.9	-24	176.5	0	0	0	0	0	112.2	I113 F118 P138 S139 E143	I113-A141 HydrophobicContact CB-CB 4.44Å; I113-A141 HydrophobicContact CG2-CB 3.57Å; F118-A141 HydrophobicContact CD2-CB 3.98Å; F118-A141 WeakPolarHBondContact CD2-O 3.39Å; F118-A141 HydrophobicContact CE2-CB 3.98Å; P138-A141 HydrophobicContact CB-CB 4.04Å; P138-A141 WeakPolarHBondContact O-CB 3.4Å; P138-A141 PolarHBondContact O-N 3.41Å; S139-A141 VanDerWaalsContact C-N 3.31Å; S139-A141 PolarHBondContact O-N 2.98Å; A141-E143 PolarHBondContact O-N 2.91Å; A141-E143 VanDerWaalsContact O-N 3.14Å
142	F	92.6	Very high	95.6	Very high	1 Å²	1	47.4 Å²	47.4	0%	0.004	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-83.4	23.8	-176.7	-50	-44.7	0	0	0	113.8	F118 L127 I137 P138 S139 G140 L145 L151 V169	F118-F142 HydrophobicContact CD2-CD1 4.4Å; F118-F142 HydrophobicContact CE2-CD1 4.36Å; F118-F142 HydrophobicContact CE2-CE1 4.24Å; L127-F142 HydrophobicContact CD2-CE1 4.17Å; I137-F142 HydrophobicContact CG2-CE2 3.87Å; P138-F142 HydrophobicContact CG-CE1 4.29Å; P138-F142 HydrophobicContact CG-CE2 4.34Å; P138-F142 HydrophobicContact CG-CZ 3.78Å; S139-F142 PolarHBondContact O-N 3Å; G140-F142 VanDerWaalsContact C-N 3.34Å; F142-L145 HydrophobicContact CB-CD1 4.32Å; F142-L145 HydrophobicContact CD1-CD1 4.31Å; F142-L151 HydrophobicContact CE1-CD1 4.33Å; F142-L151 HydrophobicContact CE1-CD2 4.45Å; F142-L151 HydrophobicContact CE2-CD2 4.25Å; F142-L151 HydrophobicContact CZ-CD1 4.45Å; F142-L151 HydrophobicContact CZ-CD2 4.06Å; F142-V169 HydrophobicContact CB-CG1 3.86Å
143	E	88.7	Confident	95.6	Very high	62 Å²	62	47 Å²	47	29%	0.29	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	136.3	-179.2	-140.7	179.6	160.4	0	0	110.9	A141 L145	A141-E143 PolarHBondContact O-N 2.91Å; A141-E143 VanDerWaalsContact O-N 3.14Å; E143-L145 VanDerWaalsContact C-N 3.27Å; E143-L145 PolarHBondContact O-N 3.14Å
144	Y	84.5	Confident	95.6	Very high	177 Å²	177	43.5 Å²	43.5	69%	0.694	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.8	20.3	175.1	-47.3	-71.9	0	0	0	117	S146	Y144-S146 VanDerWaalsContact C-N 3.27Å; Y144-S146 PolarHBondContact O-N 3.42Å
145	L	93.8	Very high	95.6	Very high	4 Å²	4	45.9 Å²	45.9	2%	0.021	24%	0.235	C	C	.	.			trans	-84.4	59	176.1	-63.9	177.2	0	0	0	112.6	F118 L121 L124 F142 E143 K147 L148 V169 S171	F118-L145 HydrophobicContact CB-CD1 4.27Å; F118-L145 HydrophobicContact CB-CD2 4.15Å; F118-L145 HydrophobicContact CD2-CD1 4.5Å; L121-L145 HydrophobicContact CB-CD2 4.14Å; L124-L145 HydrophobicContact CB-CD2 4.48Å; L124-L145 HydrophobicContact CD2-CD2 4.12Å; F142-L145 HydrophobicContact CB-CD1 4.32Å; F142-L145 HydrophobicContact CD1-CD1 4.31Å; E143-L145 VanDerWaalsContact C-N 3.27Å; E143-L145 PolarHBondContact O-N 3.14Å; L145-K147 PolarHBondContact O-N 3.08Å; L145-K147 VanDerWaalsContact O-N 3.08Å; L145-L148 HydrophobicContact CB-CB 3.99Å; L145-L148 HydrophobicContact CB-CD2 4.47Å; L145-L148 HydrophobicContact CD1-CD2 4.09Å; L145-L148 WeakPolarHBondContact O-CB 3.21Å; L145-L148 PolarHBondContact O-N 3.02Å; L145-L148 VanDerWaalsContact O-N 3.08Å; L145-V169 HydrophobicContact CB-CG1 3.89Å; L145-S171 PolarHBondContact O-OG 3.38Å
146	S	91.4	Very high	95.6	Very high	87 Å²	87	43.2 Å²	43.2	61%	0.608	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-16.5	-169.9	64.7	0	0	0	0	115.8	Y144 S171	Y144-S146 VanDerWaalsContact C-N 3.27Å; Y144-S146 PolarHBondContact O-N 3.42Å; S146-S171 WeakPolarHBondContact O-CB 3.5Å; S146-S171 PolarHBondContact O-OG 2.75Å
147	K	96	Very high	95.6	Very high	108 Å²	108	40.7 Å²	40.7	47%	0.47	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-3.4	177.8	-67.3	-165.5	-168.6	169.4	0	113.6	A122 L124 L145 R149	A122-K147 WeakPolarHBondContact O-CD 3.36Å; L124-K147 CarbonylContact O-C 3.34Å; L145-K147 PolarHBondContact O-N 3.08Å; L145-K147 VanDerWaalsContact O-N 3.08Å; K147-R149 WeakPolarHBondContact O-CG 3.48Å; K147-R149 PolarHBondContact O-N 2.78Å
148	L	98	Very high	95.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.201	C	C	.	.			trans	-64.6	124.1	-176.4	-168.7	74.8	0	0	0	109.5	L124 N125 L127 L145 V169 S171 L172	L124-L148 HydrophobicContact CD2-CD1 4.02Å; L124-L148 HydrophobicContact CG-CD1 4.07Å; L124-L148 VanDerWaalsContact O-CA 3.28Å; L124-L148 WeakPolarHBondContact O-CA 3.17Å; L124-L148 PolarHBondContact O-N 3.09Å; L124-L148 VanDerWaalsContact O-N 3.1Å; N125-L148 WeakPolarHBondContact O-CD1 3.17Å; L127-L148 HydrophobicContact CB-CD1 3.83Å; L145-L148 HydrophobicContact CB-CB 3.99Å; L145-L148 HydrophobicContact CB-CD2 4.47Å; L145-L148 HydrophobicContact CD1-CD2 4.09Å; L145-L148 WeakPolarHBondContact O-CB 3.21Å; L145-L148 PolarHBondContact O-N 3.02Å; L145-L148 VanDerWaalsContact O-N 3.08Å; L148-V169 HydrophobicContact CD2-CG1 4.08Å; L148-S171 CarbonylContact O-C 3.56Å; L148-S171 WeakPolarHBondContact O-CB 3.11Å; L148-S171 PolarHBondContact O-OG 3.02Å; L148-L172 HydrophobicContact CD2-CD1 3.95Å; L148-L172 HydrophobicContact CG-CD1 3.96Å; L148-L172 WeakPolarHBondContact O-CA 3.01Å; L148-L172 PolarHBondContact O-N 2.98Å
149	R	98.3	Very high	95.7	Very high	80 Å²	80	43.7 Å²	43.7	30%	0.302	22%	0.216	S	C	.	.			trans	-112.5	-32.7	179.3	-57	-52.9	-172.9	-166.3	-3.2	112	N125 K147 S171 M173 R174	N125-R149 PolarHBondContact O-N 2.88Å; N125-R149 WeakPolarHBondContact OD1-CB 3.48Å; K147-R149 WeakPolarHBondContact O-CG 3.48Å; K147-R149 PolarHBondContact O-N 2.78Å; R149-S171 VanDerWaalsContact CD-O 3.26Å; R149-S171 WeakPolarHBondContact CD-O 3.17Å; R149-S171 PolarHBondContact NH1-O 2.92Å; R149-M173 HydrophobicContact CB-CB 4.42Å; R149-M173 HydrophobicContact CG-SD 4.37Å; R149-M173 CarbonylContact O-C 3.41Å; R149-M173 WeakPolarHBondContact O-CA 3.15Å; R149-M173 PolarHBondContact O-N 3.46Å; R149-R174 PolarHBondContact O-N 3.29Å
150	E	98.7	Very high	95.8	Very high	39 Å²	39	44.1 Å²	44.1	18%	0.182	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	124.6	-174	-53	-170.8	157.9	0	0	111.2	N125 T126 L127 W152 R174	N125-E150 PolarHBondContact O-N 3.45Å; T126-E150 WeakPolarHBondContact CA-O 3.31Å; T126-E150 HydrophobicContact CG2-CB 4.03Å; T126-E150 PolarHBondContact OG1-OE2 3.32Å; L127-E150 PolarHBondContact N-O 3.39Å; E150-W152 HydrophobicContact CB-CZ2 4.42Å; E150-R174 WeakPolarHBondContact CA-O 3.48Å; E150-R174 HydrophobicContact CB-CB 4.41Å; E150-R174 HydrophobicContact CG-CB 4.1Å; E150-R174 HydrophobicContact CG-CG 4.23Å; E150-R174 WeakPolarHBondContact OE1-CD 3.35Å; E150-R174 IonicContact OE1-CZ 3.24Å; E150-R174 IonicContact OE1-NE 2.76Å; E150-R174 IonicContact OE1-NH1 3.97Å; E150-R174 PolarHBondContact OE1-NH1 3.03Å
151	L	98.6	Very high	96	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	119.3	177.5	178.6	60.8	0	0	0	110	L127 F142 L153 F166 L172 R174 L175 D176	L127-L151 HydrophobicContact CB-CD1 4.12Å; L127-L151 HydrophobicContact CD2-CD1 3.93Å; L127-L151 HydrophobicContact CG-CD1 4.04Å; F142-L151 HydrophobicContact CE1-CD1 4.33Å; F142-L151 HydrophobicContact CE1-CD2 4.45Å; F142-L151 HydrophobicContact CE2-CD2 4.25Å; F142-L151 HydrophobicContact CZ-CD1 4.45Å; F142-L151 HydrophobicContact CZ-CD2 4.06Å; L151-L153 HydrophobicContact CD1-CG 4.31Å; L151-L153 HydrophobicContact CD2-CD1 3.95Å; L151-L153 HydrophobicContact CG-CD1 4.1Å; L151-L153 HydrophobicContact CG-CG 4.21Å; L151-F166 HydrophobicContact CD2-CD1 4.15Å; L151-F166 HydrophobicContact CD2-CE1 4.13Å; L151-L172 HydrophobicContact CB-CD1 3.75Å; L151-L172 HydrophobicContact CB-CD2 4.1Å; L151-R174 PolarHBondContact N-O 3.09Å; L151-L175 HydrophobicContact CB-CD1 4.14Å; L151-L175 HydrophobicContact CD2-CD1 4Å; L151-L175 HydrophobicContact CG-CD1 4.12Å; L151-D176 PolarHBondContact O-N 2.8Å
152	W	98.7	Very high	96.2	Very high	56 Å²	56	44.9 Å²	44.9	21%	0.212	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	107.3	-177.5	-49.3	90.3	0	0	0	110.3	L127 E128 L129 F130 E150 D176 Y199	L127-W152 PolarHBondContact O-N 2.97Å; E128-W152 HydrophobicContact CG-CB 4.43Å; E128-W152 HydrophobicContact CG-CG 4.15Å; L129-W152 CarbonylContact C-O 3.32Å; L129-W152 WeakPolarHBondContact CA-O 3.45Å; L129-W152 PolarHBondContact N-O 2.86Å; F130-W152 HydrophobicContact CD1-CB 4.27Å; F130-W152 PolarHBondContact N-O 3.04Å; E150-W152 HydrophobicContact CB-CZ2 4.42Å; W152-D176 HydrophobicContact CD2-CB 4.16Å; W152-D176 HydrophobicContact CE3-CB 3.22Å; W152-D176 HydrophobicContact CZ3-CB 3.61Å; W152-Y199 HydrophobicContact CH2-CE1 4.49Å; W152-Y199 HydrophobicContact CZ3-CE1 4.27Å
153	L	98.5	Very high	96.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.238	C	C	.	.			trans	-115.6	6.4	-179.5	-76.8	166.7	0	0	0	113	L129 L134 L151 N156 F166 D176 L177	L129-L153 HydrophobicContact CB-CD2 3.84Å; L129-L153 HydrophobicContact CD1-CD2 4.04Å; L134-L153 HydrophobicContact CD1-CD2 3.91Å; L151-L153 HydrophobicContact CD1-CG 4.31Å; L151-L153 HydrophobicContact CD2-CD1 3.95Å; L151-L153 HydrophobicContact CG-CD1 4.1Å; L151-L153 HydrophobicContact CG-CG 4.21Å; L153-N156 PolarHBondContact O-ND2 3.02Å; L153-F166 HydrophobicContact CD1-CE1 4.07Å; L153-D176 CarbonylContact C-O 3.21Å; L153-D176 WeakPolarHBondContact CA-O 3.29Å; L153-D176 PolarHBondContact N-O 2.97Å; L153-L177 HydrophobicContact CB-CD2 3.85Å; L153-L177 HydrophobicContact CD1-CD2 3.95Å
154	R	98.3	Very high	96.8	Very high	53 Å²	53	51.2 Å²	51.2	20%	0.2	25%	0.249	C	C	.	.			trans	-52.6	150.2	-177.9	64.2	178.8	-85.6	98.5	2.3	114	F130 D131 N156 D176 G178 E179	F130-R154 CarbonylContact C-O 3.56Å; F130-R154 WeakPolarHBondContact CA-O 3.09Å; F130-R154 HydrophobicContact CB-CG 3.34Å; F130-R154 WeakPolarHBondContact CB-O 3.46Å; F130-R154 HydrophobicContact CG-CG 4.26Å; D131-R154 PolarHBondContact N-O 3.25Å; R154-N156 PolarHBondContact O-N 3.06Å; R154-D176 WeakPolarHBondContact CD-OD2 3.41Å; R154-D176 PolarHBondContact N-O 3.17Å; R154-G178 CarbonylContact C-O 3.18Å; R154-G178 WeakPolarHBondContact CA-O 3.21Å; R154-G178 VanDerWaalsContact CB-O 3.28Å; R154-G178 WeakPolarHBondContact CB-O 3.26Å; R154-E179 IonicContact CZ-OE1 2.75Å; R154-E179 IonicContact NH1-OE1 3.95Å; R154-E179 PolarHBondContact NH1-OE1 3.48Å; R154-E179 IonicContact NH2-OE1 2.78Å; R154-E179 PolarHBondContact NH2-OE1 3.47Å; R154-E179 IonicContact NH2-OE2 3.73Å
155	N	98.2	Very high	97.4	Very high	54 Å²	54	42.9 Å²	42.9	29%	0.289	22%	0.217	S	C	.	.	S	Bend	trans	51.6	50.7	178.9	-165.7	35.8	0	0	0	112.9	D131 G178 E179	D131-N155 WeakPolarHBondContact CA-O 3.47Å; D131-N155 VanDerWaalsContact OD1-CB 3.3Å; D131-N155 WeakPolarHBondContact OD1-CB 3.48Å; D131-N155 PolarHBondContact OD1-ND2 3.26Å; N155-G178 PolarHBondContact N-O 3.43Å; N155-E179 HydrophobicContact CB-CB 4.03Å
156	N	98.6	Very high	97.6	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.021	22%	0.216	C	C	.	.			trans	-112.8	152.7	165.5	-84.5	-85.5	0	0	0	109.7	L129 N132 W133 L134 L153 R154 I158 L180	L129-N156 PolarHBondContact O-ND2 3.01Å; N132-N156 VanDerWaalsContact CA-OD1 3.27Å; N132-N156 WeakPolarHBondContact CA-OD1 3.35Å; N132-N156 WeakPolarHBondContact CB-OD1 3.46Å; N132-N156 PolarHBondContact N-OD1 3.02Å; N132-N156 PolarHBondContact O-OD1 3.19Å; W133-N156 PolarHBondContact N-OD1 3.22Å; L134-N156 HydrophobicContact CB-CB 4.3Å; L134-N156 WeakPolarHBondContact CB-OD1 3.41Å; L134-N156 PolarHBondContact N-OD1 3.05Å; L134-N156 VanDerWaalsContact N-OD1 3.13Å; L153-N156 PolarHBondContact O-ND2 3.02Å; R154-N156 PolarHBondContact O-N 3.06Å; N156-I158 HydrophobicContact CB-CD1 4Å; N156-I158 HydrophobicContact CB-CG1 3.86Å; N156-I158 PolarHBondContact O-N 3.24Å; N156-L180 HydrophobicContact CB-CD2 4.19Å; N156-L180 VanDerWaalsContact O-CD2 3.25Å; N156-L180 WeakPolarHBondContact O-CD2 3.5Å
157	P	98.1	Very high	97.7	Very high	32 Å²	32	41.4 Å²	41.4	21%	0.208	20%	0.202	C	C	.	.			trans	-77.4	41.3	176.4	34.6	-37.3	0	0	0	112.9	N132 L134 T135 E159 K182	N132-P157 VanDerWaalsContact O-CD 3.29Å; N132-P157 WeakPolarHBondContact O-CD 3.48Å; L134-P157 CarbonylContact O-C 3.17Å; L134-P157 VanDerWaalsContact O-C 3.26Å; L134-P157 VanDerWaalsContact O-CD 3.27Å; L134-P157 WeakPolarHBondContact O-CD 3.28Å; L134-P157 WeakPolarHBondContact O-CG 3.41Å; T135-P157 WeakPolarHBondContact CA-O 3.46Å; T135-P157 HydrophobicContact CG2-CG 4.42Å; P157-E159 PolarHBondContact O-N 3.1Å; P157-K182 HydrophobicContact CB-CD 4Å; P157-K182 HydrophobicContact CB-CG 4.29Å
158	I	98.4	Very high	97.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.208	C	C	.	.			trans	-67.4	127.3	-179	-64.6	169	0	0	0	109.6	L134 T135 I137 N156 S160 L180 K182 L183	L134-I158 HydrophobicContact CB-CG1 4.5Å; L134-I158 WeakPolarHBondContact O-CG1 3.26Å; L134-I158 PolarHBondContact O-N 2.97Å; T135-I158 WeakPolarHBondContact O-CA 3.37Å; I137-I158 HydrophobicContact CG1-CD1 3.97Å; I137-I158 HydrophobicContact CG1-CG2 4.16Å; N156-I158 HydrophobicContact CB-CD1 4Å; N156-I158 HydrophobicContact CB-CG1 3.86Å; N156-I158 PolarHBondContact O-N 3.24Å; I158-S160 WeakPolarHBondContact CG2-O 3.4Å; I158-L180 HydrophobicContact CB-CD1 4.3Å; I158-L180 HydrophobicContact CB-CD2 4.15Å; I158-L180 HydrophobicContact CD1-CD1 4.41Å; I158-L180 HydrophobicContact CD1-CD2 3.99Å; I158-L180 HydrophobicContact CG1-CD2 4.29Å; I158-K182 CarbonylContact O-C 3.28Å; I158-L183 WeakPolarHBondContact O-CA 3.23Å; I158-L183 PolarHBondContact O-N 3.38Å
159	E	97.4	Very high	97.5	Very high	90 Å²	90	43.8 Å²	43.8	42%	0.421	21%	0.208	S	C	.	.			trans	-90.4	-31.7	-175	-63.7	175	-179.3	0	0	112.4	T135 P157 K182 E184 Y185	T135-E159 PolarHBondContact O-N 2.94Å; P157-E159 PolarHBondContact O-N 3.1Å; E159-K182 WeakPolarHBondContact CA-O 3.38Å; E159-E184 PolarHBondContact O-N 3.22Å; E159-Y185 PolarHBondContact O-N 3.27Å
160	S	97.6	Very high	97.4	Very high	42 Å²	42	42.7 Å²	42.7	29%	0.294	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	154.7	179.4	60.9	0	0	0	0	114.2	I158 Y185	I158-S160 WeakPolarHBondContact CG2-O 3.4Å; S160-Y185 CarbonylContact C-O 3.41Å; S160-Y185 WeakPolarHBondContact CA-O 3.23Å
161	I	98.1	Very high	97.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	100.9	169.1	-50.9	176.9	0	0	0	108.4	I137 A165 F166 L177 L183 Y185 I186 S187 A190 F191 L202	I137-I161 HydrophobicContact CD1-CB 4.13Å; I137-I161 HydrophobicContact CD1-CG1 3.9Å; I137-I161 HydrophobicContact CD1-CG2 3.76Å; I161-A165 HydrophobicContact CG2-CB 4Å; I161-F166 HydrophobicContact CG2-CE2 4.12Å; I161-L177 HydrophobicContact CD1-CD1 4Å; I161-L183 HydrophobicContact CD1-CD1 4.37Å; I161-L183 HydrophobicContact CD1-CD2 4.34Å; I161-L183 HydrophobicContact CG1-CD1 3.89Å; I161-Y185 PolarHBondContact N-O 3.36Å; I161-I186 HydrophobicContact CB-CG2 4.36Å; I161-I186 HydrophobicContact CD1-CG1 4.19Å; I161-I186 HydrophobicContact CD1-CG2 4.46Å; I161-S187 WeakPolarHBondContact O-CB 3.35Å; I161-S187 PolarHBondContact O-N 2.85Å; I161-A190 HydrophobicContact CB-CB 4.27Å; I161-A190 HydrophobicContact CG2-CB 3.6Å; I161-F191 HydrophobicContact CD1-CZ 4.4Å; I161-L202 HydrophobicContact CD1-CD2 4.42Å
162	P	97.7	Very high	97.3	Very high	53 Å²	53	41.3 Å²	41.3	34%	0.344	21%	0.206	S	C	.	.			trans	-72.4	166.3	-176.6	30.4	-35.4	0	0	0	112.2	A165 A190	P162-A165 HydrophobicContact CG-CB 4.13Å; P162-A165 WeakPolarHBondContact O-CB 3.3Å; P162-A165 PolarHBondContact O-N 3.38Å; P162-A190 WeakPolarHBondContact O-CA 3.29Å
163	S	97.6	Very high	97.3	Very high	62 Å²	62	42 Å²	42	43%	0.434	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	141.9	174.1	-41.6	0	0	0	0	111.2	A165 S187	S163-A165 PolarHBondContact O-N 3.21Å; S163-S187 PolarHBondContact OG-OG 3.36Å
164	Y	97	Very high	97.3	Very high	134 Å²	134	47.2 Å²	47.2	53%	0.525	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	25.7	179.5	-56.5	-83	0	0	0	114.5	F166 N167 G189 E192	Y164-F166 PolarHBondContact O-N 3.35Å; Y164-N167 HydrophobicContact CD1-CB 4.21Å; Y164-N167 PolarHBondContact O-N 3Å; Y164-N167 VanDerWaalsContact O-N 3.16Å; Y164-G189 PolarHBondContact N-O 3.4Å; Y164-E192 HydrophobicContact CD1-CB 3.57Å; Y164-E192 HydrophobicContact CD1-CG 4.43Å; Y164-E192 HydrophobicContact CE1-CB 3.6Å; Y164-E192 HydrophobicContact CE1-CG 4.06Å; Y164-E192 HydrophobicContact CG-CB 4.41Å
165	A	97.4	Very high	97.3	Very high	2 Å²	2	44.7 Å²	44.7	2%	0.017	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-32.3	-174.1	0	0	0	0	0	114	I137 S139 I161 P162 S163	I137-A165 HydrophobicContact CD1-CB 4.31Å; S139-A165 VanDerWaalsContact CB-O 3.3Å; S139-A165 WeakPolarHBondContact CB-O 3.27Å; S139-A165 WeakPolarHBondContact OG-CA 3.44Å; S139-A165 PolarHBondContact OG-O 3.26Å; I161-A165 HydrophobicContact CG2-CB 4Å; P162-A165 HydrophobicContact CG-CB 4.13Å; P162-A165 WeakPolarHBondContact O-CB 3.3Å; P162-A165 PolarHBondContact O-N 3.38Å; S163-A165 PolarHBondContact O-N 3.21Å
166	F	96.8	Very high	97.3	Very high	1 Å²	1	42.4 Å²	42.4	0%	0.004	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.3	12.2	-175.7	-50	-76.4	0	0	0	113.7	I137 L151 L153 I161 Y164 R168 V169 L175 L177 F191 L194	I137-F166 HydrophobicContact CD1-CE1 4.3Å; I137-F166 HydrophobicContact CD1-CE2 4.25Å; I137-F166 HydrophobicContact CD1-CZ 3.6Å; I137-F166 HydrophobicContact CG1-CZ 4.43Å; I137-F166 HydrophobicContact CG2-CE1 3.83Å; I137-F166 HydrophobicContact CG2-CZ 4.23Å; L151-F166 HydrophobicContact CD2-CD1 4.15Å; L151-F166 HydrophobicContact CD2-CE1 4.13Å; L153-F166 HydrophobicContact CD1-CE1 4.07Å; I161-F166 HydrophobicContact CG2-CE2 4.12Å; Y164-F166 PolarHBondContact O-N 3.35Å; F166-R168 PolarHBondContact O-N 3.19Å; F166-V169 HydrophobicContact CB-CG2 4.21Å; F166-V169 VanDerWaalsContact O-CG2 3.29Å; F166-V169 WeakPolarHBondContact O-CG2 3.33Å; F166-V169 PolarHBondContact O-N 3.03Å; F166-L175 HydrophobicContact CD2-CD2 3.98Å; F166-L175 HydrophobicContact CE1-CD1 4.09Å; F166-L175 HydrophobicContact CE1-CD2 4.37Å; F166-L175 HydrophobicContact CE2-CD2 3.81Å; F166-L175 HydrophobicContact CG-CD2 4.33Å; F166-L175 HydrophobicContact CZ-CD1 4.26Å; F166-L175 HydrophobicContact CZ-CD2 4.01Å; F166-L177 HydrophobicContact CE2-CD1 4.04Å; F166-L177 HydrophobicContact CZ-CD1 3.88Å; F166-L177 HydrophobicContact CZ-CD2 4.06Å; F166-L177 HydrophobicContact CZ-CG 4.47Å; F166-F191 HydrophobicContact CE2-CE1 4.4Å; F166-L194 HydrophobicContact CB-CD1 3.94Å; F166-L194 HydrophobicContact CB-CD2 3.77Å; F166-L194 HydrophobicContact CB-CG 4.02Å; F166-L194 HydrophobicContact CD2-CD1 4Å; F166-L194 HydrophobicContact CG-CD1 4.25Å
167	N	95.2	Very high	97.3	Very high	59 Å²	59	42.2 Å²	42.2	32%	0.316	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-18.8	-172.1	97.2	-11.9	0	0	0	113.9	Y164 V169	Y164-N167 HydrophobicContact CD1-CB 4.21Å; Y164-N167 PolarHBondContact O-N 3Å; Y164-N167 VanDerWaalsContact O-N 3.16Å; N167-V169 VanDerWaalsContact C-N 3.28Å
168	R	93.8	Very high	97.3	Very high	158 Å²	158	40.7 Å²	40.7	60%	0.596	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-13.1	179.6	-59.2	-60	-176.9	177.2	0.9	113	F166 P170	F166-R168 PolarHBondContact O-N 3.19Å; R168-P170 WeakPolarHBondContact O-CD 3.43Å
169	V	95.9	Very high	97.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.207	C	C	.	.			trans	-122.6	61.3	178	-71.7	0	0	0	0	111.7	F142 L145 L148 F166 N167 S171 L172	F142-V169 HydrophobicContact CB-CG1 3.86Å; L145-V169 HydrophobicContact CB-CG1 3.89Å; L148-V169 HydrophobicContact CD2-CG1 4.08Å; F166-V169 HydrophobicContact CB-CG2 4.21Å; F166-V169 VanDerWaalsContact O-CG2 3.29Å; F166-V169 WeakPolarHBondContact O-CG2 3.33Å; F166-V169 PolarHBondContact O-N 3.03Å; N167-V169 VanDerWaalsContact C-N 3.28Å; V169-S171 PolarHBondContact O-N 3.01Å; V169-L172 WeakPolarHBondContact O-CB 3.45Å; V169-L172 PolarHBondContact O-N 2.87Å; V169-L172 VanDerWaalsContact O-N 3.13Å
170	P	95.6	Very high	97.4	Very high	57 Å²	57	38 Å²	38	37%	0.37	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-10.4	179.6	31.1	-37.2	0	0	0	113.1	R168 L172 G193 N196	R168-P170 WeakPolarHBondContact O-CD 3.43Å; P170-L172 PolarHBondContact O-N 2.87Å; P170-G193 WeakPolarHBondContact CB-O 3.34Å; P170-N196 PolarHBondContact O-ND2 3.28Å
171	S	96.6	Very high	97.3	Very high	10 Å²	10	43 Å²	43	7%	0.07	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-13.2	175.1	57.2	0	0	0	0	113.8	L145 S146 L148 R149 V169	L145-S171 PolarHBondContact O-OG 3.38Å; S146-S171 WeakPolarHBondContact O-CB 3.5Å; S146-S171 PolarHBondContact O-OG 2.75Å; L148-S171 CarbonylContact O-C 3.56Å; L148-S171 WeakPolarHBondContact O-CB 3.11Å; L148-S171 PolarHBondContact O-OG 3.02Å; R149-S171 VanDerWaalsContact CD-O 3.26Å; R149-S171 WeakPolarHBondContact CD-O 3.17Å; R149-S171 PolarHBondContact NH1-O 2.92Å; V169-S171 PolarHBondContact O-N 3.01Å
172	L	98	Very high	97.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.229	C	C	.	.			trans	-63.5	136	-172	-155.5	72.6	0	0	0	111.5	L148 L151 V169 P170 L175 L194 N196 L197	L148-L172 HydrophobicContact CD2-CD1 3.95Å; L148-L172 HydrophobicContact CG-CD1 3.96Å; L148-L172 WeakPolarHBondContact O-CA 3.01Å; L148-L172 PolarHBondContact O-N 2.98Å; L151-L172 HydrophobicContact CB-CD1 3.75Å; L151-L172 HydrophobicContact CB-CD2 4.1Å; V169-L172 WeakPolarHBondContact O-CB 3.45Å; V169-L172 PolarHBondContact O-N 2.87Å; V169-L172 VanDerWaalsContact O-N 3.13Å; P170-L172 PolarHBondContact O-N 2.87Å; L172-L175 HydrophobicContact CD2-CB 3.87Å; L172-L175 HydrophobicContact CD2-CD1 4.05Å; L172-L175 HydrophobicContact CD2-CD2 4.38Å; L172-L175 HydrophobicContact CD2-CG 4.32Å; L172-L194 HydrophobicContact CB-CD2 4.04Å; L172-L194 HydrophobicContact CD2-CD2 4.21Å; L172-N196 CarbonylContact O-C 3.52Å; L172-L197 HydrophobicContact CB-CD1 4.16Å; L172-L197 HydrophobicContact CD2-CD1 3.99Å; L172-L197 HydrophobicContact CG-CD1 4.03Å; L172-L197 WeakPolarHBondContact O-CA 3.46Å; L172-L197 PolarHBondContact O-N 2.84Å
173	M	98.5	Very high	97.2	Very high	70 Å²	70	47.2 Å²	47.2	35%	0.345	22%	0.217	S	C	.	.			trans	-115.2	-31.1	178.9	-69.3	179.7	176.2	0	0	112.1	R149 K198 Y199	R149-M173 HydrophobicContact CB-CB 4.42Å; R149-M173 HydrophobicContact CG-SD 4.37Å; R149-M173 CarbonylContact O-C 3.41Å; R149-M173 WeakPolarHBondContact O-CA 3.15Å; R149-M173 PolarHBondContact O-N 3.46Å; M173-K198 WeakPolarHBondContact O-CA 3.33Å; M173-K198 PolarHBondContact O-N 3.15Å; M173-Y199 PolarHBondContact O-N 3.08Å
174	R	98.8	Very high	97.1	Very high	111 Å²	111	52.7 Å²	52.7	42%	0.419	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	125.2	178.3	-53.7	-163.6	167	84.9	8.3	110.4	R149 E150 L151 Y199	R149-R174 PolarHBondContact O-N 3.29Å; E150-R174 WeakPolarHBondContact CA-O 3.48Å; E150-R174 HydrophobicContact CB-CB 4.41Å; E150-R174 HydrophobicContact CG-CB 4.1Å; E150-R174 HydrophobicContact CG-CG 4.23Å; E150-R174 WeakPolarHBondContact OE1-CD 3.35Å; E150-R174 IonicContact OE1-CZ 3.24Å; E150-R174 IonicContact OE1-NE 2.76Å; E150-R174 IonicContact OE1-NH1 3.97Å; E150-R174 PolarHBondContact OE1-NH1 3.03Å; L151-R174 PolarHBondContact N-O 3.09Å; R174-Y199 HydrophobicContact CB-CD1 4.03Å; R174-Y199 HydrophobicContact CB-CG 4.49Å
175	L	98.8	Very high	97.1	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	120	176.7	178.7	57.8	0	0	0	109.7	L151 F166 L172 L177 F191 L194 L197 Y199 L200 N201	L151-L175 HydrophobicContact CB-CD1 4.14Å; L151-L175 HydrophobicContact CD2-CD1 4Å; L151-L175 HydrophobicContact CG-CD1 4.12Å; F166-L175 HydrophobicContact CD2-CD2 3.98Å; F166-L175 HydrophobicContact CE1-CD1 4.09Å; F166-L175 HydrophobicContact CE1-CD2 4.37Å; F166-L175 HydrophobicContact CE2-CD2 3.81Å; F166-L175 HydrophobicContact CG-CD2 4.33Å; F166-L175 HydrophobicContact CZ-CD1 4.26Å; F166-L175 HydrophobicContact CZ-CD2 4.01Å; L172-L175 HydrophobicContact CD2-CB 3.87Å; L172-L175 HydrophobicContact CD2-CD1 4.05Å; L172-L175 HydrophobicContact CD2-CD2 4.38Å; L172-L175 HydrophobicContact CD2-CG 4.32Å; L175-L177 HydrophobicContact CD1-CD1 4.34Å; L175-L177 HydrophobicContact CD1-CD2 4.46Å; L175-L177 HydrophobicContact CD1-CG 4.07Å; L175-L177 HydrophobicContact CD2-CD1 3.81Å; L175-L177 HydrophobicContact CD2-CG 4.39Å; L175-L177 HydrophobicContact CG-CD1 3.96Å; L175-L177 HydrophobicContact CG-CG 4Å; L175-F191 HydrophobicContact CD2-CE1 4.47Å; L175-L194 HydrophobicContact CD2-CD1 3.97Å; L175-L197 HydrophobicContact CB-CD1 3.84Å; L175-L197 HydrophobicContact CB-CD2 4.27Å; L175-Y199 PolarHBondContact N-O 2.95Å; L175-L200 HydrophobicContact CB-CD1 4.19Å; L175-L200 HydrophobicContact CD2-CD1 4.04Å; L175-L200 HydrophobicContact CG-CD1 4.1Å; L175-L200 WeakPolarHBondContact O-CA 3.49Å; L175-N201 PolarHBondContact O-N 3.18Å
176	D	98.8	Very high	97.1	Very high	5 Å²	5	54.3 Å²	54.3	3%	0.027	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	108.8	175.3	-169	-11.9	0	0	0	111.2	L151 W152 L153 R154 G178 N201	L151-D176 PolarHBondContact O-N 2.8Å; W152-D176 HydrophobicContact CD2-CB 4.16Å; W152-D176 HydrophobicContact CE3-CB 3.22Å; W152-D176 HydrophobicContact CZ3-CB 3.61Å; L153-D176 CarbonylContact C-O 3.21Å; L153-D176 WeakPolarHBondContact CA-O 3.29Å; L153-D176 PolarHBondContact N-O 2.97Å; R154-D176 WeakPolarHBondContact CD-OD2 3.41Å; R154-D176 PolarHBondContact N-O 3.17Å; D176-G178 PolarHBondContact OD1-N 2.98Å; D176-N201 HydrophobicContact CB-CB 4.37Å; D176-N201 WeakPolarHBondContact OD1-CB 3.22Å; D176-N201 VanDerWaalsContact OD1-CG 3.31Å; D176-N201 PolarHBondContact OD1-ND2 2.84Å; D176-N201 PolarHBondContact OD2-ND2 3.4Å
177	L	98.6	Very high	97.1	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	25%	0.246	C	C	.	.			trans	-116.1	29.4	175.7	-67.7	166.2	0	0	0	110.2	L153 I161 F166 L175 L180 F191 N201 L202 C205	L153-L177 HydrophobicContact CB-CD2 3.85Å; L153-L177 HydrophobicContact CD1-CD2 3.95Å; I161-L177 HydrophobicContact CD1-CD1 4Å; F166-L177 HydrophobicContact CE2-CD1 4.04Å; F166-L177 HydrophobicContact CZ-CD1 3.88Å; F166-L177 HydrophobicContact CZ-CD2 4.06Å; F166-L177 HydrophobicContact CZ-CG 4.47Å; L175-L177 HydrophobicContact CD1-CD1 4.34Å; L175-L177 HydrophobicContact CD1-CD2 4.46Å; L175-L177 HydrophobicContact CD1-CG 4.07Å; L175-L177 HydrophobicContact CD2-CD1 3.81Å; L175-L177 HydrophobicContact CD2-CG 4.39Å; L175-L177 HydrophobicContact CG-CD1 3.96Å; L175-L177 HydrophobicContact CG-CG 4Å; L177-L180 HydrophobicContact CB-CD1 4Å; L177-L180 HydrophobicContact CD2-CD1 4.16Å; L177-L180 WeakPolarHBondContact O-CD1 3.37Å; L177-L180 VanDerWaalsContact O-CG 3.28Å; L177-L180 WeakPolarHBondContact O-CG 3.38Å; L177-F191 HydrophobicContact CD1-CE1 4Å; L177-N201 CarbonylContact C-O 3.58Å; L177-N201 VanDerWaalsContact C-O 3.22Å; L177-N201 VanDerWaalsContact CA-O 3.32Å; L177-N201 WeakPolarHBondContact CA-O 3.43Å; L177-N201 WeakPolarHBondContact CB-O 3.25Å; L177-N201 PolarHBondContact N-O 2.93Å; L177-L202 HydrophobicContact CB-CD2 3.84Å; L177-L202 HydrophobicContact CD1-CD2 4.17Å; L177-C205 PolarHBondContact O-SG 3.23Å
178	G	97.9	Very high	97.2	Very high	1 Å²	1	58 Å²	58	1%	0.01	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	160.8	179.1	0	0	0	0	0	113.5	R154 N155 D176 L180 N201 G203	R154-G178 CarbonylContact C-O 3.18Å; R154-G178 WeakPolarHBondContact CA-O 3.21Å; R154-G178 VanDerWaalsContact CB-O 3.28Å; R154-G178 WeakPolarHBondContact CB-O 3.26Å; N155-G178 PolarHBondContact N-O 3.43Å; D176-G178 PolarHBondContact OD1-N 2.98Å; G178-L180 PolarHBondContact O-N 2.91Å; G178-N201 PolarHBondContact N-O 2.9Å; G178-G203 CarbonylContact C-O 3.58Å; G178-G203 VanDerWaalsContact CA-O 3.24Å; G178-G203 WeakPolarHBondContact CA-O 3.27Å
179	E	97.9	Very high	97.3	Very high	32 Å²	32	51.1 Å²	51.1	15%	0.15	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	28.7	174.8	-65.1	179.3	-129.8	0	0	115	R154 N155 K181 G203 M204	R154-E179 IonicContact CZ-OE1 2.75Å; R154-E179 IonicContact NH1-OE1 3.95Å; R154-E179 PolarHBondContact NH1-OE1 3.48Å; R154-E179 IonicContact NH2-OE1 2.78Å; R154-E179 PolarHBondContact NH2-OE1 3.47Å; R154-E179 IonicContact NH2-OE2 3.73Å; N155-E179 HydrophobicContact CB-CB 4.03Å; E179-K181 PolarHBondContact O-N 3.4Å; E179-G203 PolarHBondContact N-O 2.97Å; E179-M204 WeakPolarHBondContact CA-O 3.5Å; E179-M204 HydrophobicContact CG-CB 3.73Å; E179-M204 HydrophobicContact CG-CE 3.59Å; E179-M204 HydrophobicContact CG-CG 4.42Å; E179-M204 HydrophobicContact CG-SD 3.94Å; E179-M204 VanDerWaalsContact OE1-CE 3.23Å; E179-M204 WeakPolarHBondContact OE1-CE 3.29Å
180	L	98.2	Very high	97.4	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.238	C	C	.	.			trans	-78.2	75	171.8	-56.6	-179.2	0	0	0	110.2	N156 I158 L177 G178 K182 L183	N156-L180 HydrophobicContact CB-CD2 4.19Å; N156-L180 VanDerWaalsContact O-CD2 3.25Å; N156-L180 WeakPolarHBondContact O-CD2 3.5Å; I158-L180 HydrophobicContact CB-CD1 4.3Å; I158-L180 HydrophobicContact CB-CD2 4.15Å; I158-L180 HydrophobicContact CD1-CD1 4.41Å; I158-L180 HydrophobicContact CD1-CD2 3.99Å; I158-L180 HydrophobicContact CG1-CD2 4.29Å; L177-L180 HydrophobicContact CB-CD1 4Å; L177-L180 HydrophobicContact CD2-CD1 4.16Å; L177-L180 WeakPolarHBondContact O-CD1 3.37Å; L177-L180 VanDerWaalsContact O-CG 3.28Å; L177-L180 WeakPolarHBondContact O-CG 3.38Å; G178-L180 PolarHBondContact O-N 2.91Å; L180-K182 PolarHBondContact O-N 3.21Å; L180-K182 VanDerWaalsContact O-N 3.11Å; L180-L183 HydrophobicContact CB-CB 3.88Å; L180-L183 HydrophobicContact CB-CD2 4.44Å; L180-L183 HydrophobicContact CD1-CD2 4.4Å; L180-L183 VanDerWaalsContact O-CB 3.22Å; L180-L183 WeakPolarHBondContact O-CB 3.42Å; L180-L183 PolarHBondContact O-N 3.5Å
181	K	96.8	Very high	97.5	Very high	147 Å²	147	48.4 Å²	48.4	64%	0.639	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-18.3	-174.2	-65.2	171.7	-174.8	163.8	0	114.5	E179	E179-K181 PolarHBondContact O-N 3.4Å
182	K	96.7	Very high	97.6	Very high	123 Å²	123	50.9 Å²	50.9	54%	0.535	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	5.5	178.1	-71.4	-148.5	177.2	-169.4	0	113.4	P157 I158 E159 L180 E184	P157-K182 HydrophobicContact CB-CD 4Å; P157-K182 HydrophobicContact CB-CG 4.29Å; I158-K182 CarbonylContact O-C 3.28Å; E159-K182 WeakPolarHBondContact CA-O 3.38Å; L180-K182 PolarHBondContact O-N 3.21Å; L180-K182 VanDerWaalsContact O-N 3.11Å; K182-E184 PolarHBondContact O-N 2.75Å
183	L	97.2	Very high	97.4	Very high	20 Å²	20	51.3 Å²	51.3	11%	0.105	24%	0.236	C	C	.	.			trans	-69.5	121.2	-177.2	-173.5	66	0	0	0	110.4	I158 I161 L180 I186 C205	I158-L183 WeakPolarHBondContact O-CA 3.23Å; I158-L183 PolarHBondContact O-N 3.38Å; I161-L183 HydrophobicContact CD1-CD1 4.37Å; I161-L183 HydrophobicContact CD1-CD2 4.34Å; I161-L183 HydrophobicContact CG1-CD1 3.89Å; L180-L183 HydrophobicContact CB-CB 3.88Å; L180-L183 HydrophobicContact CB-CD2 4.44Å; L180-L183 HydrophobicContact CD1-CD2 4.4Å; L180-L183 VanDerWaalsContact O-CB 3.22Å; L180-L183 WeakPolarHBondContact O-CB 3.42Å; L180-L183 PolarHBondContact O-N 3.5Å; L183-I186 HydrophobicContact CD1-CG1 4.45Å; L183-I186 HydrophobicContact CD2-CD1 3.84Å; L183-I186 HydrophobicContact CD2-CG1 3.88Å; L183-I186 HydrophobicContact CG-CG1 4.33Å; L183-C205 HydrophobicContact CD2-CB 4.1Å
184	E	95.2	Very high	97.4	Very high	177 Å²	177	48 Å²	48	83%	0.827	22%	0.219	S	C	*	.			trans	-111.2	-31.2	-179.6	-67.9	-179.1	-177.4	0	0	112.1	E159 K182	E159-E184 PolarHBondContact O-N 3.22Å; K182-E184 PolarHBondContact O-N 2.75Å
185	Y	96.3	Very high	97.2	Very high	137 Å²	137	48.5 Å²	48.5	54%	0.537	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	133.7	-173.4	178.1	-106.5	0	0	0	113.3	E159 S160 I161	E159-Y185 PolarHBondContact O-N 3.27Å; S160-Y185 CarbonylContact C-O 3.41Å; S160-Y185 WeakPolarHBondContact CA-O 3.23Å; I161-Y185 PolarHBondContact N-O 3.36Å
186	I	97.5	Very high	97.1	Very high	32 Å²	32	52.3 Å²	52.3	16%	0.164	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	121.8	169.6	-54.5	175.1	0	0	0	107.2	I161 L183 A190 F191 I207 P211	I161-I186 HydrophobicContact CB-CG2 4.36Å; I161-I186 HydrophobicContact CD1-CG1 4.19Å; I161-I186 HydrophobicContact CD1-CG2 4.46Å; L183-I186 HydrophobicContact CD1-CG1 4.45Å; L183-I186 HydrophobicContact CD2-CD1 3.84Å; L183-I186 HydrophobicContact CD2-CG1 3.88Å; L183-I186 HydrophobicContact CG-CG1 4.33Å; I186-A190 HydrophobicContact CG2-CB 3.84Å; I186-F191 HydrophobicContact CG2-CE2 4.15Å; I186-I207 HydrophobicContact CD1-CD1 3.86Å; I186-I207 HydrophobicContact CD1-CG1 4.21Å; I186-P211 HydrophobicContact CD1-CB 4.22Å; I186-P211 HydrophobicContact CD1-CG 4.46Å; I186-P211 HydrophobicContact CG2-CB 3.99Å
187	S	97.6	Very high	97	Very high	8 Å²	8	52.1 Å²	52.1	6%	0.056	24%	0.244	C	C	.	.			trans	-70.2	146	177.4	-173.5	0	0	0	0	112.2	I161 S163 G189 A190	I161-S187 WeakPolarHBondContact O-CB 3.35Å; I161-S187 PolarHBondContact O-N 2.85Å; S163-S187 PolarHBondContact OG-OG 3.36Å; S187-G189 PolarHBondContact O-N 2.85Å; S187-G189 VanDerWaalsContact O-N 3.13Å; S187-A190 WeakPolarHBondContact O-CB 3.45Å; S187-A190 PolarHBondContact O-N 3.16Å
188	E	95.9	Very high	97	Very high	130 Å²	130	55.7 Å²	55.7	61%	0.607	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-30.5	172.1	-72.8	-63.5	120	0	0	113.4	N212	E188-N212 WeakPolarHBondContact O-CB 3.39Å; E188-N212 PolarHBondContact O-ND2 2.68Å; E188-N212 WeakPolarHBondContact OE2-CB 3.47Å
189	G	97.1	Very high	97.1	Very high	13 Å²	13	56.8 Å²	56.8	13%	0.134	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	17.7	176.7	0	0	0	0	0	114	Y164 S187 F191 E192	Y164-G189 PolarHBondContact N-O 3.4Å; S187-G189 PolarHBondContact O-N 2.85Å; S187-G189 VanDerWaalsContact O-N 3.13Å; G189-F191 VanDerWaalsContact C-N 3.3Å; G189-F191 PolarHBondContact O-N 2.87Å; G189-E192 WeakPolarHBondContact O-CB 3.39Å; G189-E192 PolarHBondContact O-N 3.02Å
190	A	98.1	Very high	97.1	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-40.5	-173.6	0	0	0	0	0	113.5	I161 P162 I186 S187	I161-A190 HydrophobicContact CB-CB 4.27Å; I161-A190 HydrophobicContact CG2-CB 3.6Å; P162-A190 WeakPolarHBondContact O-CA 3.29Å; I186-A190 HydrophobicContact CG2-CB 3.84Å; S187-A190 WeakPolarHBondContact O-CB 3.45Å; S187-A190 PolarHBondContact O-N 3.16Å
191	F	97.7	Very high	97.1	Very high	1 Å²	1	55.5 Å²	55.5	0%	0.004	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101	13.3	-173.7	-56.8	-67.4	0	0	0	113.7	I161 F166 L175 L177 I186 G189 L194 L200 L202 P211 L213 L216	I161-F191 HydrophobicContact CD1-CZ 4.4Å; F166-F191 HydrophobicContact CE2-CE1 4.4Å; L175-F191 HydrophobicContact CD2-CE1 4.47Å; L177-F191 HydrophobicContact CD1-CE1 4Å; I186-F191 HydrophobicContact CG2-CE2 4.15Å; G189-F191 VanDerWaalsContact C-N 3.3Å; G189-F191 PolarHBondContact O-N 2.87Å; F191-L194 HydrophobicContact CB-CD1 4.42Å; F191-L194 HydrophobicContact CD1-CD1 4.18Å; F191-L194 PolarHBondContact O-N 3.08Å; F191-L200 HydrophobicContact CE1-CD1 4.18Å; F191-L200 HydrophobicContact CE1-CD2 4.34Å; F191-L200 HydrophobicContact CZ-CD2 4.39Å; F191-L202 HydrophobicContact CE2-CD1 4.35Å; F191-L202 HydrophobicContact CZ-CD1 3.93Å; F191-L202 HydrophobicContact CZ-CD2 4.28Å; F191-P211 HydrophobicContact CE2-CB 4.34Å; F191-L213 HydrophobicContact CD2-CD2 3.97Å; F191-L213 HydrophobicContact CE2-CD2 3.96Å; F191-L216 HydrophobicContact CB-CD1 4.29Å; F191-L216 HydrophobicContact CB-CD2 3.96Å; F191-L216 HydrophobicContact CB-CG 4.15Å; F191-L216 HydrophobicContact CG-CD1 4.37Å
192	E	97.3	Very high	97.2	Very high	61 Å²	61	48.5 Å²	48.5	29%	0.285	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	137.6	175.9	-76	-70.3	176.5	0	0	112	Y164 G189 P215	Y164-E192 HydrophobicContact CD1-CB 3.57Å; Y164-E192 HydrophobicContact CD1-CG 4.43Å; Y164-E192 HydrophobicContact CE1-CB 3.6Å; Y164-E192 HydrophobicContact CE1-CG 4.06Å; Y164-E192 HydrophobicContact CG-CB 4.41Å; G189-E192 WeakPolarHBondContact O-CB 3.39Å; G189-E192 PolarHBondContact O-N 3.02Å; E192-P215 HydrophobicContact CG-CG 4.29Å
193	G	95.4	Very high	97.3	Very high	10 Å²	10	42.7 Å²	42.7	10%	0.103	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.3	-8.1	-179.3	0	0	0	0	0	115.8	P170 F195	P170-G193 WeakPolarHBondContact CB-O 3.34Å; G193-F195 VanDerWaalsContact C-N 3.26Å; G193-F195 VanDerWaalsContact O-CD2 3.26Å; G193-F195 WeakPolarHBondContact O-CD2 3.07Å; G193-F195 PolarHBondContact O-N 3.23Å; G193-F195 VanDerWaalsContact O-N 3.09Å
194	L	97.2	Very high	97.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.216	C	C	.	.			trans	-86.4	50.5	-178.3	-69.1	179.6	0	0	0	113.3	F166 L172 L175 F191 N196 L197 L216	F166-L194 HydrophobicContact CB-CD1 3.94Å; F166-L194 HydrophobicContact CB-CD2 3.77Å; F166-L194 HydrophobicContact CB-CG 4.02Å; F166-L194 HydrophobicContact CD2-CD1 4Å; F166-L194 HydrophobicContact CG-CD1 4.25Å; L172-L194 HydrophobicContact CB-CD2 4.04Å; L172-L194 HydrophobicContact CD2-CD2 4.21Å; L175-L194 HydrophobicContact CD2-CD1 3.97Å; F191-L194 HydrophobicContact CB-CD1 4.42Å; F191-L194 HydrophobicContact CD1-CD1 4.18Å; F191-L194 PolarHBondContact O-N 3.08Å; L194-N196 VanDerWaalsContact C-N 3.26Å; L194-N196 PolarHBondContact O-N 3.45Å; L194-L197 HydrophobicContact CB-CB 4.15Å; L194-L197 HydrophobicContact CD1-CD2 4.17Å; L194-L197 WeakPolarHBondContact O-CB 3.48Å; L194-L197 PolarHBondContact O-N 3.48Å; L194-L216 HydrophobicContact CB-CD2 3.67Å; L194-L216 HydrophobicContact CD1-CD2 4.38Å
195	F	94.4	Very high	97.4	Very high	122 Å²	122	37.2 Å²	37.2	54%	0.535	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-27.2	-172.4	-49.2	-68.7	0	0	0	114.6	G193	G193-F195 VanDerWaalsContact C-N 3.26Å; G193-F195 VanDerWaalsContact O-CD2 3.26Å; G193-F195 WeakPolarHBondContact O-CD2 3.07Å; G193-F195 PolarHBondContact O-N 3.23Å; G193-F195 VanDerWaalsContact O-N 3.09Å
196	N	96.5	Very high	97.3	Very high	80 Å²	80	35.9 Å²	35.9	43%	0.428	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	2.2	-177.5	-63.9	-59.5	0	0	0	113.5	P170 L172 L194 K198	P170-N196 PolarHBondContact O-ND2 3.28Å; L172-N196 CarbonylContact O-C 3.52Å; L194-N196 VanDerWaalsContact C-N 3.26Å; L194-N196 PolarHBondContact O-N 3.45Å; N196-K198 PolarHBondContact O-N 2.76Å
197	L	98.4	Very high	97.2	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.175	C	C	.	.			trans	-66.9	130	-174.8	-158.1	77.7	0	0	0	110.6	L172 L175 L194 L200 L216 G218 L219	L172-L197 HydrophobicContact CB-CD1 4.16Å; L172-L197 HydrophobicContact CD2-CD1 3.99Å; L172-L197 HydrophobicContact CG-CD1 4.03Å; L172-L197 WeakPolarHBondContact O-CA 3.46Å; L172-L197 PolarHBondContact O-N 2.84Å; L175-L197 HydrophobicContact CB-CD1 3.84Å; L175-L197 HydrophobicContact CB-CD2 4.27Å; L194-L197 HydrophobicContact CB-CB 4.15Å; L194-L197 HydrophobicContact CD1-CD2 4.17Å; L194-L197 WeakPolarHBondContact O-CB 3.48Å; L194-L197 PolarHBondContact O-N 3.48Å; L197-L200 HydrophobicContact CD2-CB 4.12Å; L197-L200 HydrophobicContact CD2-CD1 4.4Å; L197-L216 HydrophobicContact CB-CD2 4.17Å; L197-L216 HydrophobicContact CD2-CD1 4.3Å; L197-L216 HydrophobicContact CD2-CD2 3.82Å; L197-G218 CarbonylContact O-C 3.59Å; L197-G218 VanDerWaalsContact O-C 3.28Å; L197-L219 HydrophobicContact CD2-CD1 4.12Å; L197-L219 HydrophobicContact CG-CD1 4.32Å; L197-L219 WeakPolarHBondContact O-CA 3.33Å; L197-L219 PolarHBondContact O-N 3.4Å
198	K	98.5	Very high	96.9	Very high	75 Å²	75	41.2 Å²	41.2	33%	0.326	20%	0.201	S	C	.	.			trans	-110.6	-32.9	-179.2	-61.6	-51.5	-167	161.8	0	112.8	M173 N196 G218 E220 E221	M173-K198 WeakPolarHBondContact O-CA 3.33Å; M173-K198 PolarHBondContact O-N 3.15Å; N196-K198 PolarHBondContact O-N 2.76Å; K198-G218 WeakPolarHBondContact CD-O 3.37Å; K198-G218 PolarHBondContact NZ-O 2.64Å; K198-E220 HydrophobicContact CD-CG 4.09Å; K198-E220 WeakPolarHBondContact CD-OE1 3.29Å; K198-E220 VanDerWaalsContact CE-OE1 3.31Å; K198-E220 WeakPolarHBondContact CE-OE1 3.3Å; K198-E220 IonicContact NZ-OE1 2.76Å; K198-E220 PolarHBondContact NZ-OE1 3.32Å; K198-E220 WeakPolarHBondContact O-CA 3.29Å; K198-E220 PolarHBondContact O-N 3.09Å; K198-E221 PolarHBondContact O-N 3.09Å
199	Y	98.8	Very high	96.8	Very high	25 Å²	25	41.4 Å²	41.4	10%	0.098	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	128	-178.6	172.8	-92.7	0	0	0	110.4	W152 M173 R174 L175 N201 E221	W152-Y199 HydrophobicContact CH2-CE1 4.49Å; W152-Y199 HydrophobicContact CZ3-CE1 4.27Å; M173-Y199 PolarHBondContact O-N 3.08Å; R174-Y199 HydrophobicContact CB-CD1 4.03Å; R174-Y199 HydrophobicContact CB-CG 4.49Å; L175-Y199 PolarHBondContact N-O 2.95Å; Y199-N201 HydrophobicContact CE1-CB 3.82Å; Y199-N201 WeakPolarHBondContact OH-CB 3.38Å; Y199-E221 WeakPolarHBondContact CA-O 3.44Å; Y199-E221 HydrophobicContact CD2-CB 3.8Å
200	L	98.7	Very high	96.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	128.8	171.7	179.3	62.7	0	0	0	110.1	L175 F191 L197 L202 L213 L216 L219 E221 L222 E223	L175-L200 HydrophobicContact CB-CD1 4.19Å; L175-L200 HydrophobicContact CD2-CD1 4.04Å; L175-L200 HydrophobicContact CG-CD1 4.1Å; L175-L200 WeakPolarHBondContact O-CA 3.49Å; F191-L200 HydrophobicContact CE1-CD1 4.18Å; F191-L200 HydrophobicContact CE1-CD2 4.34Å; F191-L200 HydrophobicContact CZ-CD2 4.39Å; L197-L200 HydrophobicContact CD2-CB 4.12Å; L197-L200 HydrophobicContact CD2-CD1 4.4Å; L200-L202 HydrophobicContact CD1-CG 4.3Å; L200-L202 HydrophobicContact CD2-CD1 3.87Å; L200-L202 HydrophobicContact CD2-CG 4.35Å; L200-L202 HydrophobicContact CG-CD1 4.25Å; L200-L202 HydrophobicContact CG-CG 4.19Å; L200-L213 HydrophobicContact CD2-CD2 3.84Å; L200-L216 HydrophobicContact CD2-CD1 3.61Å; L200-L219 HydrophobicContact CB-CD1 3.85Å; L200-L219 HydrophobicContact CB-CD2 4.38Å; L200-E221 PolarHBondContact N-O 2.97Å; L200-L222 HydrophobicContact CB-CD1 4.12Å; L200-L222 HydrophobicContact CD2-CD1 4.09Å; L200-L222 HydrophobicContact CG-CD1 4.2Å; L200-E223 PolarHBondContact O-N 3.39Å
201	N	98.7	Very high	96.4	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	118.7	171.6	179.9	2.1	0	0	0	110.6	L175 D176 L177 G178 Y199 G203 E223	L175-N201 PolarHBondContact O-N 3.18Å; D176-N201 HydrophobicContact CB-CB 4.37Å; D176-N201 WeakPolarHBondContact OD1-CB 3.22Å; D176-N201 VanDerWaalsContact OD1-CG 3.31Å; D176-N201 PolarHBondContact OD1-ND2 2.84Å; D176-N201 PolarHBondContact OD2-ND2 3.4Å; L177-N201 CarbonylContact C-O 3.58Å; L177-N201 VanDerWaalsContact C-O 3.22Å; L177-N201 VanDerWaalsContact CA-O 3.32Å; L177-N201 WeakPolarHBondContact CA-O 3.43Å; L177-N201 WeakPolarHBondContact CB-O 3.25Å; L177-N201 PolarHBondContact N-O 2.93Å; G178-N201 PolarHBondContact N-O 2.9Å; Y199-N201 HydrophobicContact CE1-CB 3.82Å; Y199-N201 WeakPolarHBondContact OH-CB 3.38Å; N201-G203 PolarHBondContact OD1-N 3.04Å; N201-E223 HydrophobicContact CB-CB 4.13Å; N201-E223 HydrophobicContact CB-CG 4.34Å; N201-E223 WeakPolarHBondContact OD1-CG 3.33Å
202	L	98.1	Very high	96.3	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.223	C	C	.	.			trans	-125.1	24	172.9	-72.6	168.4	0	0	0	110.6	I161 L177 F191 L200 C205 I207 P211 E223 M224 N227	I161-L202 HydrophobicContact CD1-CD2 4.42Å; L177-L202 HydrophobicContact CB-CD2 3.84Å; L177-L202 HydrophobicContact CD1-CD2 4.17Å; F191-L202 HydrophobicContact CE2-CD1 4.35Å; F191-L202 HydrophobicContact CZ-CD1 3.93Å; F191-L202 HydrophobicContact CZ-CD2 4.28Å; L200-L202 HydrophobicContact CD1-CG 4.3Å; L200-L202 HydrophobicContact CD2-CD1 3.87Å; L200-L202 HydrophobicContact CD2-CG 4.35Å; L200-L202 HydrophobicContact CG-CD1 4.25Å; L200-L202 HydrophobicContact CG-CG 4.19Å; L202-C205 PolarHBondContact O-SG 2.88Å; L202-I207 HydrophobicContact CB-CD1 4.03Å; L202-P211 HydrophobicContact CD1-CG 4.03Å; L202-E223 PolarHBondContact N-O 3.42Å; L202-M224 HydrophobicContact CB-CE 4.23Å; L202-M224 HydrophobicContact CB-SD 3.73Å; L202-M224 HydrophobicContact CD1-CE 4.49Å; L202-M224 HydrophobicContact CD1-SD 4.07Å; L202-M224 HydrophobicContact CG-SD 4.5Å; L202-N227 PolarHBondContact O-ND2 3.33Å
203	G	97.8	Very high	96.3	Very high	2 Å²	2	42.3 Å²	42.3	2%	0.021	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	150.1	179.9	0	0	0	0	0	112.4	G178 E179 N201 C205 E223 S225	G178-G203 CarbonylContact C-O 3.58Å; G178-G203 VanDerWaalsContact CA-O 3.24Å; G178-G203 WeakPolarHBondContact CA-O 3.27Å; E179-G203 PolarHBondContact N-O 2.97Å; N201-G203 PolarHBondContact OD1-N 3.04Å; G203-C205 VanDerWaalsContact C-N 3.26Å; G203-C205 PolarHBondContact O-N 2.89Å; G203-C205 PolarHBondContact O-SG 3.44Å; G203-C205 VanDerWaalsContact O-SG 3.35Å; G203-E223 PolarHBondContact N-O 3.21Å; G203-S225 CarbonylContact C-O 3.57Å; G203-S225 WeakPolarHBondContact CA-O 3.27Å
204	M	97.4	Very high	96.3	Very high	81 Å²	81	44.1 Å²	44.1	40%	0.399	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	34.7	176.6	-62.4	179.3	-84.8	0	0	114.2	E179 S225 G226	E179-M204 WeakPolarHBondContact CA-O 3.5Å; E179-M204 HydrophobicContact CG-CB 3.73Å; E179-M204 HydrophobicContact CG-CE 3.59Å; E179-M204 HydrophobicContact CG-CG 4.42Å; E179-M204 HydrophobicContact CG-SD 3.94Å; E179-M204 VanDerWaalsContact OE1-CE 3.23Å; E179-M204 WeakPolarHBondContact OE1-CE 3.29Å; M204-S225 PolarHBondContact N-O 2.86Å; M204-G226 WeakPolarHBondContact CA-O 3.33Å
205	C	97.5	Very high	96.3	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.007	22%	0.223	C	C	.	.	S	Bend	trans	-102.5	5.4	179	-65.1	0	0	0	0	113.3	L177 L183 L202 G203 I207 N227	L177-C205 PolarHBondContact O-SG 3.23Å; L183-C205 HydrophobicContact CD2-CB 4.1Å; L202-C205 PolarHBondContact O-SG 2.88Å; G203-C205 VanDerWaalsContact C-N 3.26Å; G203-C205 PolarHBondContact O-N 2.89Å; G203-C205 PolarHBondContact O-SG 3.44Å; G203-C205 VanDerWaalsContact O-SG 3.35Å; C205-I207 HydrophobicContact CB-CD1 3.8Å; C205-I207 HydrophobicContact CB-CG1 3.71Å; C205-I207 PolarHBondContact O-N 2.96Å; C205-N227 PolarHBondContact N-OD1 3.1Å; C205-N227 VanDerWaalsContact N-OD1 3.11Å
206	N	94.2	Very high	96.4	Very high	109 Å²	109	38.9 Å²	38.9	58%	0.583	20%	0.197	S	C	*	.			trans	56.3	31.7	-177.6	-165.9	41.7	0	0	0	113.7	N227	N206-N227 PolarHBondContact N-OD1 2.87Å; N206-N227 VanDerWaalsContact N-OD1 3.07Å
207	I	95.5	Very high	96.3	Very high	14 Å²	14	38.9 Å²	38.9	7%	0.072	20%	0.2	C	C	.	.			trans	-71.1	132.7	-179.8	-59.7	169.9	0	0	0	108.9	I186 L202 C205 D209 M224 N227 H228 F229	I186-I207 HydrophobicContact CD1-CD1 3.86Å; I186-I207 HydrophobicContact CD1-CG1 4.21Å; L202-I207 HydrophobicContact CB-CD1 4.03Å; C205-I207 HydrophobicContact CB-CD1 3.8Å; C205-I207 HydrophobicContact CB-CG1 3.71Å; C205-I207 PolarHBondContact O-N 2.96Å; I207-D209 WeakPolarHBondContact CG2-O 3.27Å; I207-M224 HydrophobicContact CD1-CE 4.27Å; I207-N227 HydrophobicContact CB-CB 4.29Å; I207-N227 PolarHBondContact N-OD1 3.35Å; I207-H228 PolarHBondContact O-N 3.13Å; I207-F229 HydrophobicContact CB-CE1 4.24Å; I207-F229 HydrophobicContact CB-CZ 4.01Å; I207-F229 HydrophobicContact CG2-CE1 3.8Å; I207-F229 HydrophobicContact CG2-CZ 3.9Å
208	K	92.6	Very high	96.2	Very high	138 Å²	138	39.4 Å²	39.4	60%	0.6	21%	0.205	S	C	*	.			trans	-95.9	-38.8	178.1	-63.9	-178.6	-177.8	176.1	0	113.1	H228	K208-H228 WeakPolarHBondContact CA-O 3.44Å; K208-H228 VanDerWaalsContact O-O 3.11Å
209	D	92.2	Very high	96.2	Very high	133 Å²	133	35.9 Å²	35.9	71%	0.711	19%	0.19	S	C	*	.	S	Bend	trans	-118.9	142.8	-177.5	-60.4	-58.9	0	0	0	110.4	I207	I207-D209 WeakPolarHBondContact CG2-O 3.27Å
210	M	93.3	Very high	96.2	Very high	39 Å²	39	37.1 Å²	37.1	19%	0.192	20%	0.197	C	C	.	.			trans	-65.8	125.8	-178.5	-164.7	65.4	62.5	0	0	110.3	M224 F229 S236 F237	M210-M224 HydrophobicContact SD-CE 3.71Å; M210-M224 HydrophobicContact SD-SD 4.49Å; M210-F229 HydrophobicContact CE-CD1 4.46Å; M210-F229 HydrophobicContact CE-CD2 4.46Å; M210-F229 HydrophobicContact CE-CE1 4.29Å; M210-F229 HydrophobicContact CE-CE2 4.29Å; M210-F229 HydrophobicContact CE-CZ 4.22Å; M210-S236 WeakPolarHBondContact CG-O 3.09Å; M210-F237 HydrophobicContact CE-CE1 3.62Å; M210-F237 HydrophobicContact CE-CZ 3.79Å; M210-F237 HydrophobicContact SD-CE1 4.14Å
211	P	95.1	Very high	96.2	Very high	13 Å²	13	39.8 Å²	39.8	8%	0.084	21%	0.209	C	C	.	.			trans	-69.2	162.4	177.9	29	-35	0	0	0	111.5	I186 F191 L202 L213	I186-P211 HydrophobicContact CD1-CB 4.22Å; I186-P211 HydrophobicContact CD1-CG 4.46Å; I186-P211 HydrophobicContact CG2-CB 3.99Å; F191-P211 HydrophobicContact CE2-CB 4.34Å; L202-P211 HydrophobicContact CD1-CG 4.03Å; P211-L213 HydrophobicContact CG-CD2 4.03Å; P211-L213 HydrophobicContact CG-CG 4.35Å; P211-L213 PolarHBondContact O-N 3.49Å; P211-L213 VanDerWaalsContact O-N 3.09Å
212	N	95.7	Very high	96.2	Very high	39 Å²	39	39.8 Å²	39.8	21%	0.209	21%	0.209	C	C	.	.			trans	-69.5	106.9	173.7	-179.1	22.8	0	0	0	111.4	E188 T214	E188-N212 WeakPolarHBondContact O-CB 3.39Å; E188-N212 PolarHBondContact O-ND2 2.68Å; E188-N212 WeakPolarHBondContact OE2-CB 3.47Å; N212-T214 PolarHBondContact ND2-OG1 3.18Å; N212-T214 WeakPolarHBondContact OD1-CB 3.32Å; N212-T214 VanDerWaalsContact OD1-CG2 3.29Å; N212-T214 WeakPolarHBondContact OD1-CG2 3.24Å; N212-T214 PolarHBondContact OD1-N 2.67Å; N212-T214 PolarHBondContact OD1-OG1 2.91Å
213	L	96.5	Very high	96.2	Very high	4 Å²	4	40.6 Å²	40.6	2%	0.021	21%	0.213	C	C	.	.			trans	-103.5	4.2	179	-57.5	179.2	0	0	0	113.2	F191 L200 P211 P215 L216 L222 L240	F191-L213 HydrophobicContact CD2-CD2 3.97Å; F191-L213 HydrophobicContact CE2-CD2 3.96Å; L200-L213 HydrophobicContact CD2-CD2 3.84Å; P211-L213 HydrophobicContact CG-CD2 4.03Å; P211-L213 HydrophobicContact CG-CG 4.35Å; P211-L213 PolarHBondContact O-N 3.49Å; P211-L213 VanDerWaalsContact O-N 3.09Å; L213-P215 VanDerWaalsContact C-N 3.31Å; L213-L216 HydrophobicContact CB-CD1 4.4Å; L213-L216 HydrophobicContact CD2-CD1 3.92Å; L213-L216 WeakPolarHBondContact O-CB 3.07Å; L213-L216 PolarHBondContact O-N 2.95Å; L213-L222 HydrophobicContact CD1-CD1 4.2Å; L213-L222 HydrophobicContact CD1-CD2 3.62Å; L213-L240 HydrophobicContact CB-CD1 4.29Å; L213-L240 HydrophobicContact CB-CD2 4.12Å; L213-L240 HydrophobicContact CB-CG 4.49Å; L213-L240 HydrophobicContact CD1-CD1 4.05Å
214	T	95.5	Very high	96.2	Very high	47 Å²	47	40.5 Å²	40.5	29%	0.288	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-31.1	-177.3	58.9	0	0	0	0	115.4	N212 L216 H238	N212-T214 PolarHBondContact ND2-OG1 3.18Å; N212-T214 WeakPolarHBondContact OD1-CB 3.32Å; N212-T214 VanDerWaalsContact OD1-CG2 3.29Å; N212-T214 WeakPolarHBondContact OD1-CG2 3.24Å; N212-T214 PolarHBondContact OD1-N 2.67Å; N212-T214 PolarHBondContact OD1-OG1 2.91Å; T214-L216 PolarHBondContact O-N 2.9Å; T214-H238 HydrophobicContact CG2-CB 4.05Å; T214-H238 WeakPolarHBondContact CG2-ND1 3.28Å
215	P	96	Very high	96.3	Very high	13 Å²	13	37.4 Å²	37.4	8%	0.084	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-18.7	176.5	-21.8	35.7	0	0	0	113.8	E192 L213 V217	E192-P215 HydrophobicContact CG-CG 4.29Å; L213-P215 VanDerWaalsContact C-N 3.31Å; P215-V217 PolarHBondContact O-N 2.93Å
216	L	97.1	Very high	96.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.21	C	C	.	.			trans	-85.9	54.1	-174	-55.3	178.6	0	0	0	111.9	F191 L194 L197 L200 L213 T214 G218 L219 L240	F191-L216 HydrophobicContact CB-CD1 4.29Å; F191-L216 HydrophobicContact CB-CD2 3.96Å; F191-L216 HydrophobicContact CB-CG 4.15Å; F191-L216 HydrophobicContact CG-CD1 4.37Å; L194-L216 HydrophobicContact CB-CD2 3.67Å; L194-L216 HydrophobicContact CD1-CD2 4.38Å; L197-L216 HydrophobicContact CB-CD2 4.17Å; L197-L216 HydrophobicContact CD2-CD1 4.3Å; L197-L216 HydrophobicContact CD2-CD2 3.82Å; L200-L216 HydrophobicContact CD2-CD1 3.61Å; L213-L216 HydrophobicContact CB-CD1 4.4Å; L213-L216 HydrophobicContact CD2-CD1 3.92Å; L213-L216 WeakPolarHBondContact O-CB 3.07Å; L213-L216 PolarHBondContact O-N 2.95Å; T214-L216 PolarHBondContact O-N 2.9Å; L216-G218 PolarHBondContact O-N 3.37Å; L216-G218 VanDerWaalsContact O-N 3.09Å; L216-L219 HydrophobicContact CB-CB 4.07Å; L216-L219 HydrophobicContact CB-CD2 4.39Å; L216-L219 HydrophobicContact CD1-CD1 4.48Å; L216-L219 HydrophobicContact CD1-CD2 4.16Å; L216-L219 VanDerWaalsContact O-CB 3.27Å; L216-L219 WeakPolarHBondContact O-CB 3.35Å; L216-L219 PolarHBondContact O-N 3.01Å; L216-L219 VanDerWaalsContact O-N 3.08Å; L216-L240 HydrophobicContact CB-CD2 4.4Å
217	V	95.4	Very high	96.4	Very high	80 Å²	80	33.5 Å²	33.5	49%	0.485	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-27.5	-172.9	-62.5	0	0	0	0	114.3	P215 S242	P215-V217 PolarHBondContact O-N 2.93Å; V217-S242 PolarHBondContact O-OG 2.99Å
218	G	96.4	Very high	96.4	Very high	11 Å²	11	36.3 Å²	36.3	11%	0.113	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	3.8	-178.2	0	0	0	0	0	115.1	L197 K198 L216	L197-G218 CarbonylContact O-C 3.59Å; L197-G218 VanDerWaalsContact O-C 3.28Å; K198-G218 WeakPolarHBondContact CD-O 3.37Å; K198-G218 PolarHBondContact NZ-O 2.64Å; L216-G218 PolarHBondContact O-N 3.37Å; L216-G218 VanDerWaalsContact O-N 3.09Å
219	L	98.4	Very high	96.6	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.169	C	C	.	.			trans	-64.3	132.2	-172.4	-162.7	71.7	0	0	0	111.5	L197 L200 L216 L222 L240 S242 L243	L197-L219 HydrophobicContact CD2-CD1 4.12Å; L197-L219 HydrophobicContact CG-CD1 4.32Å; L197-L219 WeakPolarHBondContact O-CA 3.33Å; L197-L219 PolarHBondContact O-N 3.4Å; L200-L219 HydrophobicContact CB-CD1 3.85Å; L200-L219 HydrophobicContact CB-CD2 4.38Å; L216-L219 HydrophobicContact CB-CB 4.07Å; L216-L219 HydrophobicContact CB-CD2 4.39Å; L216-L219 HydrophobicContact CD1-CD1 4.48Å; L216-L219 HydrophobicContact CD1-CD2 4.16Å; L216-L219 VanDerWaalsContact O-CB 3.27Å; L216-L219 WeakPolarHBondContact O-CB 3.35Å; L216-L219 PolarHBondContact O-N 3.01Å; L216-L219 VanDerWaalsContact O-N 3.08Å; L219-L222 HydrophobicContact CD2-CB 4.11Å; L219-L222 HydrophobicContact CD2-CD1 4.21Å; L219-L240 HydrophobicContact CB-CD2 4.23Å; L219-L240 HydrophobicContact CD2-CD2 4.03Å; L219-S242 CarbonylContact O-C 3.42Å; L219-L243 HydrophobicContact CB-CD1 4.44Å; L219-L243 HydrophobicContact CD2-CD1 4.04Å; L219-L243 HydrophobicContact CG-CD1 4.07Å; L219-L243 VanDerWaalsContact O-CA 3.29Å; L219-L243 WeakPolarHBondContact O-CA 3.41Å; L219-L243 PolarHBondContact O-N 3.43Å; L219-L243 VanDerWaalsContact O-N 3.16Å
220	E	98.6	Very high	96.8	Very high	51 Å²	51	26.4 Å²	26.4	24%	0.238	15%	0.152	C	C	.	.			trans	-114.4	-31.7	-177.4	-70.2	-177.3	-146.4	0	0	112.3	K198 K244 K245	K198-E220 HydrophobicContact CD-CG 4.09Å; K198-E220 WeakPolarHBondContact CD-OE1 3.29Å; K198-E220 VanDerWaalsContact CE-OE1 3.31Å; K198-E220 WeakPolarHBondContact CE-OE1 3.3Å; K198-E220 IonicContact NZ-OE1 2.76Å; K198-E220 PolarHBondContact NZ-OE1 3.32Å; K198-E220 WeakPolarHBondContact O-CA 3.29Å; K198-E220 PolarHBondContact O-N 3.09Å; E220-K244 HydrophobicContact CB-CD 4.42Å; E220-K244 HydrophobicContact CG-CD 4.37Å; E220-K244 CarbonylContact O-C 3.57Å; E220-K244 WeakPolarHBondContact O-CA 3.37Å; E220-K244 WeakPolarHBondContact O-CB 3.48Å; E220-K244 PolarHBondContact O-N 3.07Å; E220-K244 IonicContact OE1-NZ 3.71Å; E220-K244 WeakPolarHBondContact OE2-CE 3.45Å; E220-K244 IonicContact OE2-NZ 3.91Å; E220-K244 PolarHBondContact OE2-NZ 3.07Å; E220-K245 PolarHBondContact O-N 3.01Å
221	E	98.7	Very high	96.9	Very high	57 Å²	57	27.1 Å²	27.1	27%	0.266	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	125.1	-178.5	-61	-169	168.8	0	0	110.5	K198 Y199 L200 K245	K198-E221 PolarHBondContact O-N 3.09Å; Y199-E221 WeakPolarHBondContact CA-O 3.44Å; Y199-E221 HydrophobicContact CD2-CB 3.8Å; L200-E221 PolarHBondContact N-O 2.97Å; E221-K245 HydrophobicContact CB-CB 4.4Å; E221-K245 HydrophobicContact CG-CB 4.06Å; E221-K245 HydrophobicContact CG-CD 4Å; E221-K245 HydrophobicContact CG-CG 4.07Å; E221-K245 WeakPolarHBondContact OE1-CD 3.29Å; E221-K245 WeakPolarHBondContact OE1-CE 3.44Å; E221-K245 IonicContact OE1-NZ 3.42Å; E221-K245 PolarHBondContact OE1-NZ 3.13Å
222	L	98.6	Very high	97	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.021	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	118.1	179.8	179.2	61.1	0	0	0	110.8	L200 L213 L219 M224 F237 L240 L243 K245 L246 W247	L200-L222 HydrophobicContact CB-CD1 4.12Å; L200-L222 HydrophobicContact CD2-CD1 4.09Å; L200-L222 HydrophobicContact CG-CD1 4.2Å; L213-L222 HydrophobicContact CD1-CD1 4.2Å; L213-L222 HydrophobicContact CD1-CD2 3.62Å; L219-L222 HydrophobicContact CD2-CB 4.11Å; L219-L222 HydrophobicContact CD2-CD1 4.21Å; L222-M224 HydrophobicContact CD1-CG 3.99Å; L222-M224 HydrophobicContact CD1-SD 3.77Å; L222-M224 HydrophobicContact CD2-CG 4.05Å; L222-M224 HydrophobicContact CG-CG 3.76Å; L222-M224 HydrophobicContact CG-SD 4.21Å; L222-F237 HydrophobicContact CD2-CD1 4.35Å; L222-F237 HydrophobicContact CD2-CE1 4.43Å; L222-L240 HydrophobicContact CD2-CD1 3.93Å; L222-L243 HydrophobicContact CB-CD1 3.71Å; L222-L243 HydrophobicContact CB-CD2 4.33Å; L222-K245 PolarHBondContact N-O 3.18Å; L222-L246 HydrophobicContact CB-CD1 4.3Å; L222-L246 HydrophobicContact CD2-CD1 4Å; L222-L246 HydrophobicContact CG-CD1 4.23Å; L222-W247 PolarHBondContact O-N 3.48Å
223	E	98.5	Very high	97	Very high	16 Å²	16	31.1 Å²	31.1	8%	0.075	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	113.4	175.2	168.6	66.3	-73.1	0	0	110.1	L200 N201 L202 G203 S225 W247	L200-E223 PolarHBondContact O-N 3.39Å; N201-E223 HydrophobicContact CB-CB 4.13Å; N201-E223 HydrophobicContact CB-CG 4.34Å; N201-E223 WeakPolarHBondContact OD1-CG 3.33Å; L202-E223 PolarHBondContact N-O 3.42Å; G203-E223 PolarHBondContact N-O 3.21Å; E223-S225 WeakPolarHBondContact OE1-CA 3.47Å; E223-S225 WeakPolarHBondContact OE1-CB 3.18Å; E223-S225 PolarHBondContact OE1-N 3.46Å; E223-S225 PolarHBondContact OE1-OG 2.98Å; E223-W247 HydrophobicContact CB-CE3 4.32Å; E223-W247 HydrophobicContact CG-CE3 4.46Å; E223-W247 WeakPolarHBondContact OE1-CB 3.44Å; E223-W247 VanDerWaalsContact OE2-CE3 3.25Å
224	M	97.7	Very high	96.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.17	C	C	.	.			trans	-123	9.6	-179.8	-62.9	-61.8	-59.8	0	0	112.2	L202 I207 M210 L222 N227 F229 W247 V248 S251	L202-M224 HydrophobicContact CB-CE 4.23Å; L202-M224 HydrophobicContact CB-SD 3.73Å; L202-M224 HydrophobicContact CD1-CE 4.49Å; L202-M224 HydrophobicContact CD1-SD 4.07Å; L202-M224 HydrophobicContact CG-SD 4.5Å; I207-M224 HydrophobicContact CD1-CE 4.27Å; M210-M224 HydrophobicContact SD-CE 3.71Å; M210-M224 HydrophobicContact SD-SD 4.49Å; L222-M224 HydrophobicContact CD1-CG 3.99Å; L222-M224 HydrophobicContact CD1-SD 3.77Å; L222-M224 HydrophobicContact CD2-CG 4.05Å; L222-M224 HydrophobicContact CG-CG 3.76Å; L222-M224 HydrophobicContact CG-SD 4.21Å; M224-N227 PolarHBondContact O-ND2 2.89Å; M224-F229 HydrophobicContact CB-CE2 4.06Å; M224-F229 HydrophobicContact CE-CE2 3.8Å; M224-F229 HydrophobicContact CE-CZ 3.47Å; M224-F229 VanDerWaalsContact CE-CZ 3.47Å; M224-W247 CarbonylContact C-O 3.53Å; M224-W247 WeakPolarHBondContact CA-O 3.48Å; M224-W247 PolarHBondContact N-O 3.06Å; M224-V248 HydrophobicContact CB-CG2 4.45Å; M224-S251 PolarHBondContact O-OG 3.46Å
225	S	98.1	Very high	96.6	Very high	17 Å²	17	31.9 Å²	31.9	12%	0.119	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	147.9	-174.4	-56.6	0	0	0	0	113.1	G203 M204 E223 W247 M249	G203-S225 CarbonylContact C-O 3.57Å; G203-S225 WeakPolarHBondContact CA-O 3.27Å; M204-S225 PolarHBondContact N-O 2.86Å; E223-S225 WeakPolarHBondContact OE1-CA 3.47Å; E223-S225 WeakPolarHBondContact OE1-CB 3.18Å; E223-S225 PolarHBondContact OE1-N 3.46Å; E223-S225 PolarHBondContact OE1-OG 2.98Å; S225-W247 PolarHBondContact N-O 3.48Å; S225-M249 CarbonylContact C-O 3.45Å; S225-M249 WeakPolarHBondContact CA-O 3.3Å; S225-M249 WeakPolarHBondContact CB-O 3.36Å; S225-M249 WeakPolarHBondContact OG-CB 3.22Å; S225-M249 PolarHBondContact OG-N 2.83Å
226	G	97.5	Very high	96.4	Very high	25 Å²	25	32.4 Å²	32.4	26%	0.258	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	24.9	177.7	0	0	0	0	0	114.4	M204 M249 S251	M204-G226 WeakPolarHBondContact CA-O 3.33Å; G226-M249 PolarHBondContact N-O 3.33Å; G226-S251 PolarHBondContact N-OG 2.89Å
227	N	97.5	Very high	96.2	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.011	19%	0.186	C	C	.	.	S	Bend	trans	-101.4	-165	171.5	-75	-53.9	0	0	0	110.8	L202 C205 N206 I207 M224 F229 S251 Q252	L202-N227 PolarHBondContact O-ND2 3.33Å; C205-N227 PolarHBondContact N-OD1 3.1Å; C205-N227 VanDerWaalsContact N-OD1 3.11Å; N206-N227 PolarHBondContact N-OD1 2.87Å; N206-N227 VanDerWaalsContact N-OD1 3.07Å; I207-N227 HydrophobicContact CB-CB 4.29Å; I207-N227 PolarHBondContact N-OD1 3.35Å; M224-N227 PolarHBondContact O-ND2 2.89Å; N227-F229 HydrophobicContact CB-CD2 3.89Å; N227-F229 HydrophobicContact CB-CE1 4.41Å; N227-F229 HydrophobicContact CB-CE2 3.28Å; N227-F229 HydrophobicContact CB-CZ 3.58Å; N227-S251 CarbonylContact O-C 3.11Å; N227-S251 WeakPolarHBondContact O-CA 3.4Å; N227-Q252 PolarHBondContact O-NE2 2.85Å; N227-Q252 VanDerWaalsContact O-NE2 3.08Å
228	H	96.2	Very high	96	Very high	73 Å²	73	32.5 Å²	32.5	34%	0.338	18%	0.18	S	C	.	.			trans	-125.5	80.5	179.5	-172.6	76.5	0	0	0	110.4	I207 K208 P230 Q252	I207-H228 PolarHBondContact O-N 3.13Å; K208-H228 WeakPolarHBondContact CA-O 3.44Å; K208-H228 VanDerWaalsContact O-O 3.11Å; H228-P230 WeakPolarHBondContact O-CD 3.44Å; H228-Q252 PolarHBondContact ND1-OE1 3.42Å
229	F	95.9	Very high	95.8	Very high	7 Å²	7	33.4 Å²	33.4	3%	0.031	19%	0.189	C	C	.	.			trans	-110.7	83.8	179.2	-57.3	-53.7	0	0	0	109.7	I207 M210 M224 N227 E231 V248 S251 V253	I207-F229 HydrophobicContact CB-CE1 4.24Å; I207-F229 HydrophobicContact CB-CZ 4.01Å; I207-F229 HydrophobicContact CG2-CE1 3.8Å; I207-F229 HydrophobicContact CG2-CZ 3.9Å; M210-F229 HydrophobicContact CE-CD1 4.46Å; M210-F229 HydrophobicContact CE-CD2 4.46Å; M210-F229 HydrophobicContact CE-CE1 4.29Å; M210-F229 HydrophobicContact CE-CE2 4.29Å; M210-F229 HydrophobicContact CE-CZ 4.22Å; M224-F229 HydrophobicContact CB-CE2 4.06Å; M224-F229 HydrophobicContact CE-CE2 3.8Å; M224-F229 HydrophobicContact CE-CZ 3.47Å; M224-F229 VanDerWaalsContact CE-CZ 3.47Å; N227-F229 HydrophobicContact CB-CD2 3.89Å; N227-F229 HydrophobicContact CB-CE1 4.41Å; N227-F229 HydrophobicContact CB-CE2 3.28Å; N227-F229 HydrophobicContact CB-CZ 3.58Å; F229-E231 PolarHBondContact O-N 3.43Å; F229-V248 HydrophobicContact CD2-CG1 4.06Å; F229-S251 PolarHBondContact N-O 3.22Å; F229-V253 HydrophobicContact CB-CG2 4.46Å; F229-V253 WeakPolarHBondContact O-CA 3.35Å; F229-V253 WeakPolarHBondContact O-CG2 3.4Å
230	P	95.6	Very high	95.6	Very high	56 Å²	56	33.5 Å²	33.5	36%	0.364	19%	0.19	S	C	.	.	S	Bend	trans	-61.9	-30.7	-177.8	24.7	-34.1	0	0	0	112.7	H228 S254 L255	H228-P230 WeakPolarHBondContact O-CD 3.44Å; P230-S254 PolarHBondContact O-N 3.43Å; P230-S254 PolarHBondContact O-OG 3.04Å; P230-L255 PolarHBondContact O-N 2.87Å
231	E	96	Very high	95.4	Very high	54 Å²	54	34.3 Å²	34.3	25%	0.252	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	138.8	-179.6	-179.5	177.3	-134.6	0	0	110.7	F229 R233 L255 E257	F229-E231 PolarHBondContact O-N 3.43Å; E231-R233 HydrophobicContact CG-CG 4.18Å; E231-R233 IonicContact OE2-CZ 3.78Å; E231-R233 IonicContact OE2-NE 3.06Å; E231-R233 PolarHBondContact OE2-NE 3.18Å; E231-R233 IonicContact OE2-NH2 3.7Å; E231-R233 PolarHBondContact OE2-NH2 2.93Å; E231-L255 VanDerWaalsContact CA-O 3.32Å; E231-L255 WeakPolarHBondContact CA-O 3.42Å; E231-L255 HydrophobicContact CG-CD2 4.43Å; E231-E257 HydrophobicContact CG-CG 3.89Å; E231-E257 VanDerWaalsContact OE1-CG 3.26Å; E231-E257 WeakPolarHBondContact OE1-CG 3.42Å
232	I	96.9	Very high	95.4	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	123.1	172	-63.5	-179.4	0	0	0	109.5	F237 V248 V253 L255 I256 E257 A260 F261 L272	I232-F237 HydrophobicContact CG2-CD2 4.4Å; I232-F237 HydrophobicContact CG2-CE2 3.49Å; I232-F237 VanDerWaalsContact CG2-CE2 3.49Å; I232-F237 HydrophobicContact CG2-CZ 4.2Å; I232-V248 HydrophobicContact CD1-CG1 4.29Å; I232-V253 HydrophobicContact CD1-CG1 3.89Å; I232-V253 HydrophobicContact CD1-CG2 3.97Å; I232-V253 HydrophobicContact CG1-CG1 3.93Å; I232-V253 HydrophobicContact CG1-CG2 4.34Å; I232-L255 PolarHBondContact N-O 3.16Å; I232-I256 HydrophobicContact CB-CG1 4.16Å; I232-I256 HydrophobicContact CD1-CG1 4.2Å; I232-I256 HydrophobicContact CG1-CG1 4.47Å; I232-E257 PolarHBondContact O-N 3.04Å; I232-A260 HydrophobicContact CG2-CB 4.14Å; I232-F261 HydrophobicContact CD1-CZ 4.46Å; I232-F261 HydrophobicContact CG2-CE1 3.99Å; I232-F261 HydrophobicContact CG2-CZ 4.36Å; I232-L272 HydrophobicContact CD1-CD2 4.22Å
233	R	95.8	Very high	95.3	Very high	135 Å²	135	33.5 Å²	33.5	51%	0.509	20%	0.202	S	C	.	.			trans	-108.4	157.8	-176.5	-51.1	-162	175.1	153.3	-0.6	112.1	E231 G235 S236 E257	E231-R233 HydrophobicContact CG-CG 4.18Å; E231-R233 IonicContact OE2-CZ 3.78Å; E231-R233 IonicContact OE2-NE 3.06Å; E231-R233 PolarHBondContact OE2-NE 3.18Å; E231-R233 IonicContact OE2-NH2 3.7Å; E231-R233 PolarHBondContact OE2-NH2 2.93Å; R233-G235 PolarHBondContact O-N 2.96Å; R233-G235 VanDerWaalsContact O-N 3.14Å; R233-S236 PolarHBondContact N-OG 2.61Å; R233-S236 VanDerWaalsContact O-CB 3.3Å; R233-S236 WeakPolarHBondContact O-CB 3.48Å; R233-S236 PolarHBondContact O-N 2.93Å; R233-S236 PolarHBondContact O-OG 3.02Å; R233-E257 WeakPolarHBondContact CA-OE2 2.99Å; R233-E257 WeakPolarHBondContact CB-OE2 3.48Å; R233-E257 WeakPolarHBondContact CD-OE2 3.34Å; R233-E257 HydrophobicContact CG-CG 4.33Å; R233-E257 WeakPolarHBondContact CG-OE2 3.48Å
234	P	93.6	Very high	95.3	Very high	17 Å²	17	36.9 Å²	36.9	11%	0.11	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-25.7	173.9	-21.3	31.6	0	0	0	114.2	S236 E257 R258 H393 A394	P234-S236 VanDerWaalsContact C-N 3.33Å; P234-E257 WeakPolarHBondContact CD-OE2 3.4Å; P234-R258 WeakPolarHBondContact CG-O 3.44Å; P234-H393 WeakPolarHBondContact CG-CD2 3.4Å; P234-A394 HydrophobicContact CB-CB 3.82Å; P234-A394 HydrophobicContact CG-CB 4.38Å
235	G	90.9	Very high	95.4	Very high	49 Å²	49	38.3 Å²	38.3	51%	0.505	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-25.8	175.9	0	0	0	0	0	114	R233 F237 H238	R233-G235 PolarHBondContact O-N 2.96Å; R233-G235 VanDerWaalsContact O-N 3.14Å; G235-F237 VanDerWaalsContact C-N 3.33Å; G235-F237 PolarHBondContact O-N 2.89Å; G235-H238 PolarHBondContact O-N 3.4Å
236	S	92.1	Very high	95.4	Very high	25 Å²	25	37.5 Å²	37.5	18%	0.175	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-37.3	-171.2	-58.8	0	0	0	0	113	M210 R233 P234	M210-S236 WeakPolarHBondContact CG-O 3.09Å; R233-S236 PolarHBondContact N-OG 2.61Å; R233-S236 VanDerWaalsContact O-CB 3.3Å; R233-S236 WeakPolarHBondContact O-CB 3.48Å; R233-S236 PolarHBondContact O-N 2.93Å; R233-S236 PolarHBondContact O-OG 3.02Å; P234-S236 VanDerWaalsContact C-N 3.33Å
237	F	92.1	Very high	95.4	Very high	7 Å²	7	38.1 Å²	38.1	3%	0.031	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.7	31.3	-176.7	-50.2	-69.7	0	0	0	113.1	M210 L222 I232 G235 G239 L240 L246 F261 L264	M210-F237 HydrophobicContact CE-CE1 3.62Å; M210-F237 HydrophobicContact CE-CZ 3.79Å; M210-F237 HydrophobicContact SD-CE1 4.14Å; L222-F237 HydrophobicContact CD2-CD1 4.35Å; L222-F237 HydrophobicContact CD2-CE1 4.43Å; I232-F237 HydrophobicContact CG2-CD2 4.4Å; I232-F237 HydrophobicContact CG2-CE2 3.49Å; I232-F237 VanDerWaalsContact CG2-CE2 3.49Å; I232-F237 HydrophobicContact CG2-CZ 4.2Å; G235-F237 VanDerWaalsContact C-N 3.33Å; G235-F237 PolarHBondContact O-N 2.89Å; F237-G239 PolarHBondContact O-N 2.77Å; F237-L240 HydrophobicContact CB-CD1 4.21Å; F237-L240 HydrophobicContact CD1-CD1 4.33Å; F237-L240 PolarHBondContact O-N 3.14Å; F237-L246 HydrophobicContact CD1-CD1 4.41Å; F237-L246 HydrophobicContact CD1-CD2 4.38Å; F237-L246 HydrophobicContact CD2-CD2 4.42Å; F237-L246 HydrophobicContact CE1-CD1 3.84Å; F237-L246 HydrophobicContact CE1-CD2 4.02Å; F237-L246 HydrophobicContact CE2-CD2 4.05Å; F237-L246 HydrophobicContact CZ-CD1 4.28Å; F237-L246 HydrophobicContact CZ-CD2 3.84Å; F237-F261 HydrophobicContact CD2-CD1 4.21Å; F237-F261 HydrophobicContact CD2-CE1 4.29Å; F237-F261 HydrophobicContact CE2-CD1 4.14Å; F237-F261 AromaticContact CE2-CE1 3.75Å; F237-F261 HydrophobicContact CE2-CE1 3.75Å; F237-L264 HydrophobicContact CB-CD1 4.25Å; F237-L264 HydrophobicContact CB-CD2 3.85Å; F237-L264 HydrophobicContact CB-CG 4.31Å; F237-L264 HydrophobicContact CD2-CD1 4.32Å; F237-L264 HydrophobicContact CG-CD1 4.33Å
238	H	91.8	Very high	95.4	Very high	75 Å²	75	38 Å²	38	35%	0.347	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	135.2	178.6	-179.3	-147.9	0	0	0	112.6	T214 G235 L240 R396	T214-H238 HydrophobicContact CG2-CB 4.05Å; T214-H238 WeakPolarHBondContact CG2-ND1 3.28Å; G235-H238 PolarHBondContact O-N 3.4Å; H238-L240 PolarHBondContact O-N 3.3Å; H238-R396 PolarHBondContact CD2-NE 3.11Å; H238-R396 VanDerWaalsContact CD2-NE 3.26Å; H238-R396 PolarHBondContact CD2-NH1 3.44Å; H238-R396 PolarHBondContact CD2-NH2 3.1Å; H238-R396 PolarHBondContact CE1-NH1 3.37Å; H238-R396 PolarHBondContact ND1-NH1 3.01Å; H238-R396 PolarHBondContact NE2-NE 2.69Å; H238-R396 PolarHBondContact NE2-NH1 3.41Å
239	G	90.7	Very high	95.5	Very high	30 Å²	30	35.7 Å²	35.7	31%	0.309	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	-7.5	169.4	0	0	0	0	0	113.5	F237 S241	F237-G239 PolarHBondContact O-N 2.77Å; G239-S241 PolarHBondContact O-N 3.2Å
240	L	95.8	Very high	95.5	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.01	22%	0.217	C	C	.	.			trans	-83.4	50.4	-178.9	-58.2	-176.4	0	0	0	112.3	L213 L216 L219 L222 F237 H238 S242 L243 L264	L213-L240 HydrophobicContact CB-CD1 4.29Å; L213-L240 HydrophobicContact CB-CD2 4.12Å; L213-L240 HydrophobicContact CB-CG 4.49Å; L213-L240 HydrophobicContact CD1-CD1 4.05Å; L216-L240 HydrophobicContact CB-CD2 4.4Å; L219-L240 HydrophobicContact CB-CD2 4.23Å; L219-L240 HydrophobicContact CD2-CD2 4.03Å; L222-L240 HydrophobicContact CD2-CD1 3.93Å; F237-L240 HydrophobicContact CB-CD1 4.21Å; F237-L240 HydrophobicContact CD1-CD1 4.33Å; F237-L240 PolarHBondContact O-N 3.14Å; H238-L240 PolarHBondContact O-N 3.3Å; L240-S242 PolarHBondContact O-N 2.89Å; L240-L243 HydrophobicContact CB-CB 4.08Å; L240-L243 HydrophobicContact CB-CD2 4.42Å; L240-L243 HydrophobicContact CD1-CD2 4.22Å; L240-L243 VanDerWaalsContact O-CB 3.29Å; L240-L243 WeakPolarHBondContact O-CB 3.49Å; L240-L243 PolarHBondContact O-N 2.78Å; L240-L264 HydrophobicContact CB-CD2 3.93Å; L240-L264 WeakPolarHBondContact O-CD2 3.43Å
241	S	94.2	Very high	95.6	Very high	67 Å²	67	36.1 Å²	36.1	47%	0.469	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-24.4	-176.1	50.5	0	0	0	0	114	G239 S266	G239-S241 PolarHBondContact O-N 3.2Å; S241-S266 WeakPolarHBondContact O-CB 3.35Å; S241-S266 PolarHBondContact O-OG 3.4Å
242	S	97.1	Very high	95.7	Very high	45 Å²	45	38 Å²	38	32%	0.315	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	0.1	178.6	-64.8	0	0	0	0	113.9	V217 L219 L240 K244	V217-S242 PolarHBondContact O-OG 2.99Å; L219-S242 CarbonylContact O-C 3.42Å; L240-S242 PolarHBondContact O-N 2.89Å; S242-K244 PolarHBondContact O-N 2.9Å
243	L	98.3	Very high	95.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.208	C	C	.	.			trans	-67.6	126.3	-175.1	-161.9	73.6	0	0	0	110.9	L219 L222 L240 L246 L264 S266 L267	L219-L243 HydrophobicContact CB-CD1 4.44Å; L219-L243 HydrophobicContact CD2-CD1 4.04Å; L219-L243 HydrophobicContact CG-CD1 4.07Å; L219-L243 VanDerWaalsContact O-CA 3.29Å; L219-L243 WeakPolarHBondContact O-CA 3.41Å; L219-L243 PolarHBondContact O-N 3.43Å; L219-L243 VanDerWaalsContact O-N 3.16Å; L222-L243 HydrophobicContact CB-CD1 3.71Å; L222-L243 HydrophobicContact CB-CD2 4.33Å; L240-L243 HydrophobicContact CB-CB 4.08Å; L240-L243 HydrophobicContact CB-CD2 4.42Å; L240-L243 HydrophobicContact CD1-CD2 4.22Å; L240-L243 VanDerWaalsContact O-CB 3.29Å; L240-L243 WeakPolarHBondContact O-CB 3.49Å; L240-L243 PolarHBondContact O-N 2.78Å; L243-L246 HydrophobicContact CD2-CB 4.07Å; L243-L246 HydrophobicContact CD2-CD1 4.33Å; L243-L264 HydrophobicContact CB-CD2 4.2Å; L243-L264 HydrophobicContact CD2-CD1 4.41Å; L243-L264 HydrophobicContact CD2-CD2 3.98Å; L243-S266 CarbonylContact O-C 3.58Å; L243-L267 HydrophobicContact CD2-CD1 4.24Å; L243-L267 HydrophobicContact CG-CD1 4.3Å; L243-L267 WeakPolarHBondContact O-CA 3.32Å; L243-L267 PolarHBondContact O-N 2.83Å
244	K	98.4	Very high	95.8	Very high	86 Å²	86	34.4 Å²	34.4	37%	0.374	21%	0.205	S	C	.	.			trans	-107.5	-35.6	-179.8	-64.1	175.8	-174.9	164.1	0	112	E220 S242 V268 E269	E220-K244 HydrophobicContact CB-CD 4.42Å; E220-K244 HydrophobicContact CG-CD 4.37Å; E220-K244 CarbonylContact O-C 3.57Å; E220-K244 WeakPolarHBondContact O-CA 3.37Å; E220-K244 WeakPolarHBondContact O-CB 3.48Å; E220-K244 PolarHBondContact O-N 3.07Å; E220-K244 IonicContact OE1-NZ 3.71Å; E220-K244 WeakPolarHBondContact OE2-CE 3.45Å; E220-K244 IonicContact OE2-NZ 3.91Å; E220-K244 PolarHBondContact OE2-NZ 3.07Å; S242-K244 PolarHBondContact O-N 2.9Å; K244-V268 HydrophobicContact CB-CG2 4.19Å; K244-V268 HydrophobicContact CG-CG2 4.41Å; K244-V268 WeakPolarHBondContact O-CA 3.2Å; K244-V268 PolarHBondContact O-N 2.84Å; K244-E269 PolarHBondContact O-N 3.27Å
245	K	98.6	Very high	95.9	Very high	31 Å²	31	36.8 Å²	36.8	14%	0.135	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	127.5	179.6	-52.8	-170.7	-179.3	150.5	0	111.2	E220 E221 L222 E269 S557	E220-K245 PolarHBondContact O-N 3.01Å; E221-K245 HydrophobicContact CB-CB 4.4Å; E221-K245 HydrophobicContact CG-CB 4.06Å; E221-K245 HydrophobicContact CG-CD 4Å; E221-K245 HydrophobicContact CG-CG 4.07Å; E221-K245 WeakPolarHBondContact OE1-CD 3.29Å; E221-K245 WeakPolarHBondContact OE1-CE 3.44Å; E221-K245 IonicContact OE1-NZ 3.42Å; E221-K245 PolarHBondContact OE1-NZ 3.13Å; L222-K245 PolarHBondContact N-O 3.18Å; K245-E269 WeakPolarHBondContact CA-O 3.45Å; K245-E269 HydrophobicContact CB-CB 4.24Å; K245-E269 HydrophobicContact CD-CB 4.46Å; K245-E269 WeakPolarHBondContact CD-OE2 3.44Å; K245-E269 WeakPolarHBondContact CE-OE2 3.4Å; K245-E269 HydrophobicContact CG-CB 3.91Å; K245-S557 PolarHBondContact NZ-OG 3.44Å
246	L	98.3	Very high	96.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	117.5	176.5	176.5	58.7	0	0	0	110.1	L222 F237 L243 V248 F261 L264 L267 E269 L270 N271	L222-L246 HydrophobicContact CB-CD1 4.3Å; L222-L246 HydrophobicContact CD2-CD1 4Å; L222-L246 HydrophobicContact CG-CD1 4.23Å; F237-L246 HydrophobicContact CD1-CD1 4.41Å; F237-L246 HydrophobicContact CD1-CD2 4.38Å; F237-L246 HydrophobicContact CD2-CD2 4.42Å; F237-L246 HydrophobicContact CE1-CD1 3.84Å; F237-L246 HydrophobicContact CE1-CD2 4.02Å; F237-L246 HydrophobicContact CE2-CD2 4.05Å; F237-L246 HydrophobicContact CZ-CD1 4.28Å; F237-L246 HydrophobicContact CZ-CD2 3.84Å; L243-L246 HydrophobicContact CD2-CB 4.07Å; L243-L246 HydrophobicContact CD2-CD1 4.33Å; L246-V248 HydrophobicContact CD1-CG2 3.8Å; L246-V248 HydrophobicContact CD2-CG2 4.42Å; L246-V248 HydrophobicContact CG-CG2 3.91Å; L246-F261 HydrophobicContact CD2-CD1 4.48Å; L246-F261 HydrophobicContact CD2-CE1 4.22Å; L246-L264 HydrophobicContact CD2-CD1 3.85Å; L246-L267 HydrophobicContact CB-CD1 3.89Å; L246-E269 PolarHBondContact N-O 3.1Å; L246-L270 HydrophobicContact CB-CD1 4.12Å; L246-L270 HydrophobicContact CD2-CD1 3.93Å; L246-L270 HydrophobicContact CG-CD1 4.04Å; L246-N271 PolarHBondContact O-N 2.99Å
247	W	98.3	Very high	96.5	Very high	37 Å²	37	34.1 Å²	34.1	14%	0.14	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	118.2	177	-61.7	-16.3	0	0	0	111	L222 E223 M224 S225 E269 N271 H553	L222-W247 PolarHBondContact O-N 3.48Å; E223-W247 HydrophobicContact CB-CE3 4.32Å; E223-W247 HydrophobicContact CG-CE3 4.46Å; E223-W247 WeakPolarHBondContact OE1-CB 3.44Å; E223-W247 VanDerWaalsContact OE2-CE3 3.25Å; M224-W247 CarbonylContact C-O 3.53Å; M224-W247 WeakPolarHBondContact CA-O 3.48Å; M224-W247 PolarHBondContact N-O 3.06Å; S225-W247 PolarHBondContact N-O 3.48Å; W247-E269 PolarHBondContact NE1-OE1 2.86Å; W247-N271 HydrophobicContact CB-CB 4.36Å; W247-N271 VanDerWaalsContact CD1-CB 3.47Å; W247-N271 HydrophobicContact CG-CB 4.11Å; W247-H553 AromaticContact CH2-ND1 3.83Å; W247-H553 AromaticContact CZ2-CE1 3.48Å; W247-H553 VanDerWaalsContact CZ2-CE1 3.48Å; W247-H553 WeakPolarHBondContact CZ2-CE1 3.42Å; W247-H553 AromaticContact CZ2-ND1 3.52Å
248	V	97.4	Very high	96.8	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.187	C	C	.	.			trans	-131.9	46.5	178.3	-164	0	0	0	0	108.6	M224 F229 I232 L246 V253 N271 L272 N275	M224-V248 HydrophobicContact CB-CG2 4.45Å; F229-V248 HydrophobicContact CD2-CG1 4.06Å; I232-V248 HydrophobicContact CD1-CG1 4.29Å; L246-V248 HydrophobicContact CD1-CG2 3.8Å; L246-V248 HydrophobicContact CD2-CG2 4.42Å; L246-V248 HydrophobicContact CG-CG2 3.91Å; V248-V253 HydrophobicContact CG1-CG2 4.03Å; V248-N271 CarbonylContact C-O 3.47Å; V248-N271 PolarHBondContact N-O 2.95Å; V248-L272 HydrophobicContact CB-CD2 4.23Å; V248-N275 PolarHBondContact O-ND2 3.19Å
249	M	97	Very high	97	Very high	25 Å²	25	31.1 Å²	31.1	12%	0.123	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	148.5	-179.1	-163.4	178.2	128.4	0	0	110.2	S225 G226 S251 A273 H274 F546	S225-M249 CarbonylContact C-O 3.45Å; S225-M249 WeakPolarHBondContact CA-O 3.3Å; S225-M249 WeakPolarHBondContact CB-O 3.36Å; S225-M249 WeakPolarHBondContact OG-CB 3.22Å; S225-M249 PolarHBondContact OG-N 2.83Å; G226-M249 PolarHBondContact N-O 3.33Å; M249-S251 PolarHBondContact O-N 3.22Å; M249-S251 PolarHBondContact O-OG 3.45Å; M249-A273 VanDerWaalsContact CA-O 3.31Å; M249-A273 WeakPolarHBondContact CA-O 3.21Å; M249-A273 HydrophobicContact CG-CB 3.97Å; M249-A273 WeakPolarHBondContact CG-O 3.28Å; M249-A273 HydrophobicContact SD-CB 4.28Å; M249-H274 WeakPolarHBondContact CE-ND1 3.37Å; M249-H274 HydrophobicContact CG-CB 4.28Å; M249-F546 HydrophobicContact CE-CE2 3.73Å; M249-F546 HydrophobicContact CE-CZ 4.47Å
250	N	97.5	Very high	97.3	Very high	71 Å²	71	29.9 Å²	29.9	38%	0.38	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	30.2	174	-72.3	89.7	0	0	0	114.9	Q252 A273 H274	N250-Q252 PolarHBondContact O-NE2 2.95Å; N250-A273 PolarHBondContact N-O 2.95Å; N250-A273 VanDerWaalsContact N-O 3.11Å; N250-H274 VanDerWaalsContact CA-O 3.27Å; N250-H274 WeakPolarHBondContact CA-O 3.5Å; N250-H274 HydrophobicContact CB-CB 4.49Å; N250-H274 VanDerWaalsContact CG-CB 3.5Å; N250-H274 PolarHBondContact N-O 3.1Å; N250-H274 VanDerWaalsContact OD1-CB 3.26Å; N250-H274 WeakPolarHBondContact OD1-CB 3.32Å
251	S	97.6	Very high	97.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	-101	12.9	-173.9	-58.4	0	0	0	0	113.9	M224 G226 N227 F229 M249 V253 N275	M224-S251 PolarHBondContact O-OG 3.46Å; G226-S251 PolarHBondContact N-OG 2.89Å; N227-S251 CarbonylContact O-C 3.11Å; N227-S251 WeakPolarHBondContact O-CA 3.4Å; F229-S251 PolarHBondContact N-O 3.22Å; M249-S251 PolarHBondContact O-N 3.22Å; M249-S251 PolarHBondContact O-OG 3.45Å; S251-V253 PolarHBondContact O-N 2.85Å; S251-N275 PolarHBondContact N-OD1 3.43Å
252	Q	96.4	Very high	97.5	Very high	94 Å²	94	28.8 Å²	28.8	44%	0.439	15%	0.15	S	C	.	.			trans	55.6	31.3	-177.2	-55.3	103.4	65.6	0	0	114	N227 H228 N250 S254 N275	N227-Q252 PolarHBondContact O-NE2 2.85Å; N227-Q252 VanDerWaalsContact O-NE2 3.08Å; H228-Q252 PolarHBondContact ND1-OE1 3.42Å; N250-Q252 PolarHBondContact O-NE2 2.95Å; Q252-S254 PolarHBondContact O-N 3Å; Q252-N275 PolarHBondContact N-OD1 3.38Å; Q252-N275 VanDerWaalsContact N-OD1 3.11Å
253	V	97.6	Very high	97.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.161	C	C	.	.			trans	-64.8	123.4	177.2	-170.8	0	0	0	0	109.6	F229 I232 V248 S251 I256 N275 N276 L277	F229-V253 HydrophobicContact CB-CG2 4.46Å; F229-V253 WeakPolarHBondContact O-CA 3.35Å; F229-V253 WeakPolarHBondContact O-CG2 3.4Å; I232-V253 HydrophobicContact CD1-CG1 3.89Å; I232-V253 HydrophobicContact CD1-CG2 3.97Å; I232-V253 HydrophobicContact CG1-CG1 3.93Å; I232-V253 HydrophobicContact CG1-CG2 4.34Å; V248-V253 HydrophobicContact CG1-CG2 4.03Å; S251-V253 PolarHBondContact O-N 2.85Å; V253-I256 HydrophobicContact CG1-CG1 4.05Å; V253-N275 HydrophobicContact CB-CB 4.01Å; V253-N275 WeakPolarHBondContact CG2-OD1 3.27Å; V253-N275 PolarHBondContact N-OD1 2.83Å; V253-N276 CarbonylContact O-C 3.16Å; V253-N276 VanDerWaalsContact O-C 3.29Å; V253-N276 WeakPolarHBondContact O-CA 3.38Å; V253-N276 PolarHBondContact O-N 3.42Å; V253-L277 HydrophobicContact CB-CD2 4.46Å; V253-L277 HydrophobicContact CG1-CD2 3.84Å; V253-L277 HydrophobicContact CG1-CG 4.48Å; V253-L277 PolarHBondContact O-N 3.26Å
254	S	97.4	Very high	97.2	Very high	62 Å²	62	29.2 Å²	29.2	43%	0.434	16%	0.161	S	C	.	.			trans	-111.2	-29.1	179.3	65.6	0	0	0	0	112.7	P230 Q252	P230-S254 PolarHBondContact O-N 3.43Å; P230-S254 PolarHBondContact O-OG 3.04Å; Q252-S254 PolarHBondContact O-N 3Å
255	L	97	Very high	97	Very high	67 Å²	67	27.6 Å²	27.6	35%	0.351	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	137.4	179.9	-179.4	63.6	0	0	0	110.6	P230 E231 I232	P230-L255 PolarHBondContact O-N 2.87Å; E231-L255 VanDerWaalsContact CA-O 3.32Å; E231-L255 WeakPolarHBondContact CA-O 3.42Å; E231-L255 HydrophobicContact CG-CD2 4.43Å; I232-L255 PolarHBondContact N-O 3.16Å
256	I	97.9	Very high	96.9	Very high	2 Å²	2	28 Å²	28	1%	0.01	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	121	165	-68.6	166	0	0	0	106.3	I232 V253 A260 F261 L272 L277 L280 P281 L284	I232-I256 HydrophobicContact CB-CG1 4.16Å; I232-I256 HydrophobicContact CD1-CG1 4.2Å; I232-I256 HydrophobicContact CG1-CG1 4.47Å; V253-I256 HydrophobicContact CG1-CG1 4.05Å; I256-A260 HydrophobicContact CG2-CB 3.62Å; I256-F261 HydrophobicContact CD1-CE2 4.14Å; I256-F261 HydrophobicContact CD1-CZ 4.07Å; I256-F261 HydrophobicContact CG2-CE2 4Å; I256-F261 HydrophobicContact CG2-CZ 4.17Å; I256-L272 HydrophobicContact CD1-CD1 3.68Å; I256-L272 HydrophobicContact CD1-CD2 4.22Å; I256-L277 HydrophobicContact CD1-CD1 3.91Å; I256-L277 HydrophobicContact CD1-CD2 3.87Å; I256-L277 HydrophobicContact CG1-CD2 3.97Å; I256-L280 HydrophobicContact CB-CD2 4.46Å; I256-L280 HydrophobicContact CD1-CD2 3.6Å; I256-P281 WeakPolarHBondContact O-CD 3.37Å; I256-P281 WeakPolarHBondContact O-CG 3.38Å; I256-L284 HydrophobicContact CG2-CD1 4.17Å; I256-L284 HydrophobicContact CG2-CD2 3.99Å
257	E	97.5	Very high	96.9	Very high	16 Å²	16	28 Å²	28	8%	0.075	17%	0.171	C	C	.	.			trans	-68.6	162.8	179.9	-63.2	-163.1	126.2	0	0	111.9	E231 I232 R233 P234 N259 A260 H393 N404	E231-E257 HydrophobicContact CG-CG 3.89Å; E231-E257 VanDerWaalsContact OE1-CG 3.26Å; E231-E257 WeakPolarHBondContact OE1-CG 3.42Å; I232-E257 PolarHBondContact O-N 3.04Å; R233-E257 WeakPolarHBondContact CA-OE2 2.99Å; R233-E257 WeakPolarHBondContact CB-OE2 3.48Å; R233-E257 WeakPolarHBondContact CD-OE2 3.34Å; R233-E257 HydrophobicContact CG-CG 4.33Å; R233-E257 WeakPolarHBondContact CG-OE2 3.48Å; P234-E257 WeakPolarHBondContact CD-OE2 3.4Å; E257-N259 PolarHBondContact O-N 3.26Å; E257-A260 WeakPolarHBondContact O-CB 3.02Å; E257-A260 PolarHBondContact O-N 3.46Å; E257-H393 IonicContact OE1-NE2 3.3Å; E257-H393 IonicContact OE2-CD2 3.44Å; E257-H393 IonicContact OE2-NE2 3.37Å; E257-H393 PolarHBondContact OE2-NE2 3.35Å; E257-N404 HydrophobicContact CG-CB 4.44Å; E257-N404 VanDerWaalsContact CG-ND2 3.32Å; E257-N404 WeakPolarHBondContact CG-ND2 3.45Å; E257-N404 WeakPolarHBondContact OE1-CB 3.48Å; E257-N404 PolarHBondContact OE1-ND2 3.05Å
258	R	97.5	Very high	96.8	Very high	5 Å²	5	28.7 Å²	28.7	2%	0.019	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	136.5	176.7	-66.7	170.1	175.7	161	-8.6	110.5	P234 A260 P281 T375 P376 P377 S379 V381 H393 N404 D405	P234-R258 WeakPolarHBondContact CG-O 3.44Å; R258-A260 PolarHBondContact O-N 3.33Å; R258-A260 VanDerWaalsContact O-N 3.13Å; R258-P281 HydrophobicContact CG-CB 4.4Å; R258-T375 PolarHBondContact NH2-OG1 2.87Å; R258-P376 PolarHBondContact NH2-O 3.05Å; R258-P377 PolarHBondContact NE-O 2.83Å; R258-P377 PolarHBondContact NH2-O 2.78Å; R258-S379 PolarHBondContact NE-O 3.42Å; R258-S379 PolarHBondContact NH2-O 2.94Å; R258-V381 VanDerWaalsContact CZ-CG2 3.43Å; R258-H393 HydrophobicContact CB-CB 4.2Å; R258-H393 PolarHBondContact O-CD2 2.94Å; R258-H393 VanDerWaalsContact O-CD2 3.25Å; R258-N404 PolarHBondContact N-OD1 2.99Å; R258-N404 PolarHBondContact NH1-O 2.81Å; R258-D405 PolarHBondContact NH1-O 3.3Å
259	N	97.1	Very high	96.8	Very high	14 Å²	14	28.9 Å²	28.9	8%	0.075	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	19.4	176.2	-51.4	98.3	0	0	0	114.9	E257 F261 D262 A394	E257-N259 PolarHBondContact O-N 3.26Å; N259-F261 PolarHBondContact O-N 3.11Å; N259-D262 VanDerWaalsContact CA-OD1 3.29Å; N259-D262 WeakPolarHBondContact CA-OD1 3.37Å; N259-D262 HydrophobicContact CB-CB 4.32Å; N259-D262 WeakPolarHBondContact CB-OD2 3.23Å; N259-D262 PolarHBondContact ND2-OD2 2.87Å; N259-D262 PolarHBondContact O-N 2.92Å; N259-A394 HydrophobicContact CB-CB 3.63Å; N259-A394 WeakPolarHBondContact O-CB 3.34Å
260	A	97.4	Very high	96.8	Very high	4 Å²	4	27.7 Å²	27.7	3%	0.033	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-28.5	-174	0	0	0	0	0	114.5	I232 I256 E257 R258	I232-A260 HydrophobicContact CG2-CB 4.14Å; I256-A260 HydrophobicContact CG2-CB 3.62Å; E257-A260 WeakPolarHBondContact O-CB 3.02Å; E257-A260 PolarHBondContact O-N 3.46Å; R258-A260 PolarHBondContact O-N 3.33Å; R258-A260 VanDerWaalsContact O-N 3.13Å
261	F	97	Very high	96.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	0.4	-177.4	-53.8	-51.1	0	0	0	114.1	I232 F237 L246 I256 N259 G263 L264 L270 L272 L284 F285 L288	I232-F261 HydrophobicContact CD1-CZ 4.46Å; I232-F261 HydrophobicContact CG2-CE1 3.99Å; I232-F261 HydrophobicContact CG2-CZ 4.36Å; F237-F261 HydrophobicContact CD2-CD1 4.21Å; F237-F261 HydrophobicContact CD2-CE1 4.29Å; F237-F261 HydrophobicContact CE2-CD1 4.14Å; F237-F261 AromaticContact CE2-CE1 3.75Å; F237-F261 HydrophobicContact CE2-CE1 3.75Å; L246-F261 HydrophobicContact CD2-CD1 4.48Å; L246-F261 HydrophobicContact CD2-CE1 4.22Å; I256-F261 HydrophobicContact CD1-CE2 4.14Å; I256-F261 HydrophobicContact CD1-CZ 4.07Å; I256-F261 HydrophobicContact CG2-CE2 4Å; I256-F261 HydrophobicContact CG2-CZ 4.17Å; N259-F261 PolarHBondContact O-N 3.11Å; F261-G263 PolarHBondContact O-N 2.94Å; F261-L264 HydrophobicContact CB-CD1 4.34Å; F261-L264 HydrophobicContact CD1-CD1 3.99Å; F261-L264 WeakPolarHBondContact O-CB 3.39Å; F261-L264 PolarHBondContact O-N 2.8Å; F261-L270 HydrophobicContact CD2-CD2 4.2Å; F261-L270 HydrophobicContact CE2-CD2 3.94Å; F261-L270 HydrophobicContact CZ-CD2 4.38Å; F261-L272 HydrophobicContact CE2-CD1 4.3Å; F261-L272 HydrophobicContact CZ-CD1 4.32Å; F261-L284 HydrophobicContact CD2-CD1 3.8Å; F261-L284 HydrophobicContact CD2-CD2 3.87Å; F261-L284 HydrophobicContact CD2-CG 3.79Å; F261-L284 HydrophobicContact CE2-CD1 4.36Å; F261-L284 HydrophobicContact CE2-CD2 3.79Å; F261-L284 HydrophobicContact CE2-CG 4.25Å; F261-F285 HydrophobicContact CD2-CE1 4.38Å; F261-L288 HydrophobicContact CB-CD1 4.1Å; F261-L288 HydrophobicContact CB-CD2 4.46Å; F261-L288 WeakPolarHBondContact O-CD2 3.43Å
262	D	95.4	Very high	96.7	Very high	45 Å²	45	25.1 Å²	25.1	24%	0.241	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-30	-173.6	-77.6	27.2	0	0	0	113.4	N259 L264 P287 A394	N259-D262 VanDerWaalsContact CA-OD1 3.29Å; N259-D262 WeakPolarHBondContact CA-OD1 3.37Å; N259-D262 HydrophobicContact CB-CB 4.32Å; N259-D262 WeakPolarHBondContact CB-OD2 3.23Å; N259-D262 PolarHBondContact ND2-OD2 2.87Å; N259-D262 PolarHBondContact O-N 2.92Å; D262-L264 VanDerWaalsContact C-N 3.29Å; D262-L264 PolarHBondContact O-N 3.35Å; D262-P287 HydrophobicContact CB-CG 4.45Å; D262-P287 WeakPolarHBondContact OD1-CG 3.26Å; D262-A394 HydrophobicContact CB-CB 4.08Å
263	G	93.3	Very high	96.7	Very high	53 Å²	53	20.6 Å²	20.6	55%	0.546	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-14.1	178	0	0	0	0	0	114.9	F261 A265	F261-G263 PolarHBondContact O-N 2.94Å; G263-A265 VanDerWaalsContact C-N 3.29Å; G263-A265 PolarHBondContact O-N 2.88Å; G263-A265 VanDerWaalsContact O-N 3.16Å
264	L	96.4	Very high	96.7	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	15%	0.153	C	C	.	.			trans	-90.2	55	-175.9	-57.5	179.6	0	0	0	111.4	F237 L240 L243 L246 F261 D262 S266 L267 L288	F237-L264 HydrophobicContact CB-CD1 4.25Å; F237-L264 HydrophobicContact CB-CD2 3.85Å; F237-L264 HydrophobicContact CB-CG 4.31Å; F237-L264 HydrophobicContact CD2-CD1 4.32Å; F237-L264 HydrophobicContact CG-CD1 4.33Å; L240-L264 HydrophobicContact CB-CD2 3.93Å; L240-L264 WeakPolarHBondContact O-CD2 3.43Å; L243-L264 HydrophobicContact CB-CD2 4.2Å; L243-L264 HydrophobicContact CD2-CD1 4.41Å; L243-L264 HydrophobicContact CD2-CD2 3.98Å; L246-L264 HydrophobicContact CD2-CD1 3.85Å; F261-L264 HydrophobicContact CB-CD1 4.34Å; F261-L264 HydrophobicContact CD1-CD1 3.99Å; F261-L264 WeakPolarHBondContact O-CB 3.39Å; F261-L264 PolarHBondContact O-N 2.8Å; D262-L264 VanDerWaalsContact C-N 3.29Å; D262-L264 PolarHBondContact O-N 3.35Å; L264-S266 PolarHBondContact O-N 3.02Å; L264-L267 HydrophobicContact CB-CB 4.11Å; L264-L267 HydrophobicContact CB-CD2 4.41Å; L264-L267 HydrophobicContact CD1-CD1 4.38Å; L264-L267 HydrophobicContact CD1-CD2 4.15Å; L264-L267 VanDerWaalsContact O-CB 3.29Å; L264-L267 WeakPolarHBondContact O-CB 3.33Å; L264-L267 PolarHBondContact O-N 3.46Å; L264-L288 HydrophobicContact CB-CD2 4.34Å; L264-L288 VanDerWaalsContact O-CD2 3.3Å; L264-L288 WeakPolarHBondContact O-CD2 3.28Å
265	A	94.1	Very high	96.7	Very high	52 Å²	52	21.2 Å²	21.2	43%	0.43	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-23.9	-170.7	0	0	0	0	0	114.8	G263 Y290	G263-A265 VanDerWaalsContact C-N 3.29Å; G263-A265 PolarHBondContact O-N 2.88Å; G263-A265 VanDerWaalsContact O-N 3.16Å; A265-Y290 WeakPolarHBondContact O-CD2 3.22Å
266	S	97.2	Very high	96.8	Very high	41 Å²	41	22.6 Å²	22.6	29%	0.287	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	6.4	-179.1	-53.1	0	0	0	0	114.2	S241 L243 L264 V268	S241-S266 WeakPolarHBondContact O-CB 3.35Å; S241-S266 PolarHBondContact O-OG 3.4Å; L243-S266 CarbonylContact O-C 3.58Å; L264-S266 PolarHBondContact O-N 3.02Å; S266-V268 PolarHBondContact O-N 2.54Å
267	L	97.8	Very high	96.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	14%	0.143	C	C	.	.			trans	-67	129.1	-172.3	-156.7	71.5	0	0	0	111.5	L243 L246 L264 L270 L288 Y290 L291	L243-L267 HydrophobicContact CD2-CD1 4.24Å; L243-L267 HydrophobicContact CG-CD1 4.3Å; L243-L267 WeakPolarHBondContact O-CA 3.32Å; L243-L267 PolarHBondContact O-N 2.83Å; L246-L267 HydrophobicContact CB-CD1 3.89Å; L264-L267 HydrophobicContact CB-CB 4.11Å; L264-L267 HydrophobicContact CB-CD2 4.41Å; L264-L267 HydrophobicContact CD1-CD1 4.38Å; L264-L267 HydrophobicContact CD1-CD2 4.15Å; L264-L267 VanDerWaalsContact O-CB 3.29Å; L264-L267 WeakPolarHBondContact O-CB 3.33Å; L264-L267 PolarHBondContact O-N 3.46Å; L267-L270 HydrophobicContact CD2-CB 4.06Å; L267-L270 HydrophobicContact CD2-CD1 4.41Å; L267-L288 HydrophobicContact CB-CD2 4.47Å; L267-L288 HydrophobicContact CD2-CD1 4.24Å; L267-Y290 CarbonylContact O-C 3.01Å; L267-Y290 VanDerWaalsContact O-C 3.22Å; L267-L291 HydrophobicContact CD2-CD1 4.24Å; L267-L291 HydrophobicContact CG-CD1 4.3Å; L267-L291 WeakPolarHBondContact O-CA 3.39Å; L267-L291 PolarHBondContact O-N 2.96Å; L267-L291 VanDerWaalsContact O-N 3.14Å
268	V	96.8	Very high	96.7	Very high	51 Å²	51	24.6 Å²	24.6	31%	0.309	16%	0.159	S	C	.	.			trans	-111.6	-39.9	-178.3	-179.8	0	0	0	0	110.8	K244 S266 Y290 V292 E293	K244-V268 HydrophobicContact CB-CG2 4.19Å; K244-V268 HydrophobicContact CG-CG2 4.41Å; K244-V268 WeakPolarHBondContact O-CA 3.2Å; K244-V268 PolarHBondContact O-N 2.84Å; S266-V268 PolarHBondContact O-N 2.54Å; V268-Y290 WeakPolarHBondContact CA-O 3.16Å; V268-V292 HydrophobicContact CG1-CG2 3.69Å; V268-V292 PolarHBondContact O-N 3.33Å; V268-E293 PolarHBondContact O-N 3.45Å
269	E	96.3	Very high	96.7	Very high	3 Å²	3	25.2 Å²	25.2	1%	0.014	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	127.4	-176.9	-170.7	-177.4	149.7	0	0	111.4	K244 K245 L246 W247 E293 H295 H553	K244-E269 PolarHBondContact O-N 3.27Å; K245-E269 WeakPolarHBondContact CA-O 3.45Å; K245-E269 HydrophobicContact CB-CB 4.24Å; K245-E269 HydrophobicContact CD-CB 4.46Å; K245-E269 WeakPolarHBondContact CD-OE2 3.44Å; K245-E269 WeakPolarHBondContact CE-OE2 3.4Å; K245-E269 HydrophobicContact CG-CB 3.91Å; L246-E269 PolarHBondContact N-O 3.1Å; W247-E269 PolarHBondContact NE1-OE1 2.86Å; E269-E293 CarbonylContact C-O 3.34Å; E269-E293 VanDerWaalsContact CA-O 3.26Å; E269-E293 WeakPolarHBondContact CA-O 3.33Å; E269-E293 HydrophobicContact CB-CB 4.19Å; E269-E293 HydrophobicContact CG-CB 3.9Å; E269-E293 HydrophobicContact CG-CG 3.85Å; E269-H295 IonicContact OE1-NE2 3.32Å; E269-H553 IonicContact OE1-CE1 2.84Å; E269-H553 PolarHBondContact OE1-CE1 2.04Å; E269-H553 IonicContact OE1-NE2 3.94Å; E269-H553 PolarHBondContact OE1-NE2 2.82Å; E269-H553 IonicContact OE2-CE1 2.76Å
270	L	96.9	Very high	96.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	121.2	175.2	176.3	61.4	0	0	0	110.6	L246 F261 L267 L272 F285 L291 E293 L294 H295	L246-L270 HydrophobicContact CB-CD1 4.12Å; L246-L270 HydrophobicContact CD2-CD1 3.93Å; L246-L270 HydrophobicContact CG-CD1 4.04Å; F261-L270 HydrophobicContact CD2-CD2 4.2Å; F261-L270 HydrophobicContact CE2-CD2 3.94Å; F261-L270 HydrophobicContact CZ-CD2 4.38Å; L267-L270 HydrophobicContact CD2-CB 4.06Å; L267-L270 HydrophobicContact CD2-CD1 4.41Å; L270-L272 HydrophobicContact CD1-CD1 4.41Å; L270-L272 HydrophobicContact CD1-CD2 4.44Å; L270-L272 HydrophobicContact CD1-CG 4.07Å; L270-L272 HydrophobicContact CD2-CD1 3.92Å; L270-L272 HydrophobicContact CD2-CG 4.41Å; L270-L272 HydrophobicContact CG-CD1 4.13Å; L270-L272 HydrophobicContact CG-CG 4.08Å; L270-F285 HydrophobicContact CD2-CE1 3.74Å; L270-F285 HydrophobicContact CD2-CZ 4.35Å; L270-L291 HydrophobicContact CB-CD1 3.95Å; L270-E293 PolarHBondContact N-O 3.29Å; L270-L294 HydrophobicContact CB-CD1 3.75Å; L270-L294 HydrophobicContact CD2-CD1 3.88Å; L270-L294 HydrophobicContact CG-CD1 3.94Å; L270-L294 CarbonylContact O-C 3.48Å; L270-L294 WeakPolarHBondContact O-CA 3.31Å; L270-H295 PolarHBondContact O-N 2.91Å
271	N	96.9	Very high	96.7	Very high	17 Å²	17	24.6 Å²	24.6	9%	0.091	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	108.7	177.3	-170.5	-15.6	0	0	0	111.5	L246 W247 V248 A273 H295	L246-N271 PolarHBondContact O-N 2.99Å; W247-N271 HydrophobicContact CB-CB 4.36Å; W247-N271 VanDerWaalsContact CD1-CB 3.47Å; W247-N271 HydrophobicContact CG-CB 4.11Å; V248-N271 CarbonylContact C-O 3.47Å; V248-N271 PolarHBondContact N-O 2.95Å; N271-A273 VanDerWaalsContact OD1-CB 3.27Å; N271-A273 WeakPolarHBondContact OD1-CB 3.3Å; N271-A273 PolarHBondContact OD1-N 3.13Å; N271-H295 HydrophobicContact CB-CB 4.13Å; N271-H295 WeakPolarHBondContact OD1-CB 3.39Å
272	L	97.1	Very high	96.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	17%	0.166	C	C	.	.			trans	-116.2	20.1	177.2	-68.2	169.8	0	0	0	111.5	I232 V248 I256 F261 L270 N275 L277 H295 L296 N299	I232-L272 HydrophobicContact CD1-CD2 4.22Å; V248-L272 HydrophobicContact CB-CD2 4.23Å; I256-L272 HydrophobicContact CD1-CD1 3.68Å; I256-L272 HydrophobicContact CD1-CD2 4.22Å; F261-L272 HydrophobicContact CE2-CD1 4.3Å; F261-L272 HydrophobicContact CZ-CD1 4.32Å; L270-L272 HydrophobicContact CD1-CD1 4.41Å; L270-L272 HydrophobicContact CD1-CD2 4.44Å; L270-L272 HydrophobicContact CD1-CG 4.07Å; L270-L272 HydrophobicContact CD2-CD1 3.92Å; L270-L272 HydrophobicContact CD2-CG 4.41Å; L270-L272 HydrophobicContact CG-CD1 4.13Å; L270-L272 HydrophobicContact CG-CG 4.08Å; L272-N275 PolarHBondContact O-ND2 2.84Å; L272-L277 HydrophobicContact CB-CD1 4.16Å; L272-L277 HydrophobicContact CD1-CD1 4.35Å; L272-H295 CarbonylContact C-O 3.57Å; L272-H295 PolarHBondContact N-O 2.89Å; L272-L296 HydrophobicContact CB-CD2 4.14Å; L272-L296 HydrophobicContact CD1-CD2 4.19Å; L272-N299 PolarHBondContact O-ND2 2.71Å
273	A	96.6	Very high	96.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	17%	0.169	C	C	.	.			trans	-65.6	156.8	-176.5	0	0	0	0	0	112.9	M249 N250 N271 N275 H295 H297	M249-A273 VanDerWaalsContact CA-O 3.31Å; M249-A273 WeakPolarHBondContact CA-O 3.21Å; M249-A273 HydrophobicContact CG-CB 3.97Å; M249-A273 WeakPolarHBondContact CG-O 3.28Å; M249-A273 HydrophobicContact SD-CB 4.28Å; N250-A273 PolarHBondContact N-O 2.95Å; N250-A273 VanDerWaalsContact N-O 3.11Å; N271-A273 VanDerWaalsContact OD1-CB 3.27Å; N271-A273 WeakPolarHBondContact OD1-CB 3.3Å; N271-A273 PolarHBondContact OD1-N 3.13Å; A273-N275 VanDerWaalsContact C-N 3.31Å; A273-N275 PolarHBondContact O-N 2.85Å; A273-N275 PolarHBondContact O-ND2 3.5Å; A273-H295 HydrophobicContact CB-CB 4.35Å; A273-H295 PolarHBondContact N-O 3.04Å; A273-H295 VanDerWaalsContact N-O 3.16Å; A273-H297 VanDerWaalsContact CA-O 3.24Å; A273-H297 WeakPolarHBondContact CA-O 3.43Å; A273-H297 WeakPolarHBondContact CB-CE1 3.39Å; A273-H297 WeakPolarHBondContact CB-ND1 3.49Å; A273-H297 WeakPolarHBondContact CB-O 3.29Å
274	H	97	Very high	96.9	Very high	62 Å²	62	23.9 Å²	23.9	29%	0.287	14%	0.143	S	C	.	.	S	Bend	trans	57.1	41.1	175.7	-59.6	85.5	0	0	0	113.6	M249 N250 H297 H298	M249-H274 WeakPolarHBondContact CE-ND1 3.37Å; M249-H274 HydrophobicContact CG-CB 4.28Å; N250-H274 VanDerWaalsContact CA-O 3.27Å; N250-H274 WeakPolarHBondContact CA-O 3.5Å; N250-H274 HydrophobicContact CB-CB 4.49Å; N250-H274 VanDerWaalsContact CG-CB 3.5Å; N250-H274 PolarHBondContact N-O 3.1Å; N250-H274 VanDerWaalsContact OD1-CB 3.26Å; N250-H274 WeakPolarHBondContact OD1-CB 3.32Å; H274-H297 AromaticContact CE1-CE1 3.45Å; H274-H297 PolarHBondContact CE1-CE1 3.19Å; H274-H297 VanDerWaalsContact CE1-CE1 3.45Å; H274-H297 AromaticContact CE1-ND1 3.7Å; H274-H297 PolarHBondContact N-O 3.31Å; H274-H297 AromaticContact ND1-CE1 3.65Å; H274-H297 AromaticContact ND1-ND1 3.83Å; H274-H298 WeakPolarHBondContact CA-O 3.3Å; H274-H298 HydrophobicContact CB-CB 4.36Å; H274-H298 AromaticContact CD2-CD2 3.89Å; H274-H298 AromaticContact CD2-CG 3.69Å; H274-H298 AromaticContact CE1-CG 3.85Å; H274-H298 AromaticContact CE1-ND1 3.78Å; H274-H298 PolarHBondContact N-O 3.44Å; H274-H298 AromaticContact NE2-CD2 3.57Å; H274-H298 AromaticContact NE2-CE1 3.97Å; H274-H298 AromaticContact NE2-CG 3.44Å; H274-H298 AromaticContact NE2-ND1 3.71Å; H274-H298 AromaticContact NE2-NE2 3.95Å
275	N	98	Very high	96.9	Very high	13 Å²	13	23.9 Å²	23.9	7%	0.07	14%	0.143	C	C	.	.	S	Bend	trans	-112	-171.2	172.8	-75.7	-59.7	0	0	0	110.1	V248 S251 Q252 V253 L272 A273 L277 H298 N299	V248-N275 PolarHBondContact O-ND2 3.19Å; S251-N275 PolarHBondContact N-OD1 3.43Å; Q252-N275 PolarHBondContact N-OD1 3.38Å; Q252-N275 VanDerWaalsContact N-OD1 3.11Å; V253-N275 HydrophobicContact CB-CB 4.01Å; V253-N275 WeakPolarHBondContact CG2-OD1 3.27Å; V253-N275 PolarHBondContact N-OD1 2.83Å; L272-N275 PolarHBondContact O-ND2 2.84Å; A273-N275 VanDerWaalsContact C-N 3.31Å; A273-N275 PolarHBondContact O-N 2.85Å; A273-N275 PolarHBondContact O-ND2 3.5Å; N275-L277 HydrophobicContact CB-CD1 4.46Å; N275-L277 HydrophobicContact CB-CG 4.29Å; N275-H298 PolarHBondContact N-O 3.31Å; N275-N299 VanDerWaalsContact CA-OD1 3.23Å; N275-N299 WeakPolarHBondContact CA-OD1 3.36Å; N275-N299 WeakPolarHBondContact CB-OD1 3.24Å; N275-N299 PolarHBondContact N-OD1 3.5Å; N275-N299 PolarHBondContact O-OD1 3.23Å
276	N	97.8	Very high	96.9	Very high	96 Å²	96	25.2 Å²	25.2	51%	0.513	15%	0.146	S	C	.	.			trans	-110.4	32	-179.8	-162.6	43.3	0	0	0	111.7	V253 N299 P300	V253-N276 CarbonylContact O-C 3.16Å; V253-N276 VanDerWaalsContact O-C 3.29Å; V253-N276 WeakPolarHBondContact O-CA 3.38Å; V253-N276 PolarHBondContact O-N 3.42Å; N276-N299 PolarHBondContact N-OD1 2.99Å; N276-P300 WeakPolarHBondContact OD1-CG 3.27Å
277	L	97.5	Very high	96.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.147	C	C	.	.			trans	-73.9	129	-178.7	-64.4	167.2	0	0	0	110.9	V253 I256 L272 N275 L280 N299 P300 W301	V253-L277 HydrophobicContact CB-CD2 4.46Å; V253-L277 HydrophobicContact CG1-CD2 3.84Å; V253-L277 HydrophobicContact CG1-CG 4.48Å; V253-L277 PolarHBondContact O-N 3.26Å; I256-L277 HydrophobicContact CD1-CD1 3.91Å; I256-L277 HydrophobicContact CD1-CD2 3.87Å; I256-L277 HydrophobicContact CG1-CD2 3.97Å; L272-L277 HydrophobicContact CB-CD1 4.16Å; L272-L277 HydrophobicContact CD1-CD1 4.35Å; N275-L277 HydrophobicContact CB-CD1 4.46Å; N275-L277 HydrophobicContact CB-CG 4.29Å; L277-L280 HydrophobicContact CD1-CD2 4.36Å; L277-N299 HydrophobicContact CB-CB 4.23Å; L277-N299 WeakPolarHBondContact CB-OD1 2.94Å; L277-N299 PolarHBondContact N-OD1 2.85Å; L277-P300 CarbonylContact O-C 3.6Å; L277-P300 WeakPolarHBondContact O-CD 3.26Å; L277-W301 HydrophobicContact CB-CH2 3.75Å; L277-W301 HydrophobicContact CB-CZ2 4.38Å; L277-W301 HydrophobicContact CB-CZ3 3.93Å; L277-W301 HydrophobicContact CD1-CH2 4.07Å
278	S	96.7	Very high	96.7	Very high	59 Å²	59	25.8 Å²	25.8	41%	0.413	15%	0.148	S	C	.	.			trans	-101.6	-26.1	173.4	-63.2	0	0	0	0	113.6	P300 N302	S278-P300 WeakPolarHBondContact CA-O 3.49Å; S278-P300 PolarHBondContact OG-O 3.29Å; S278-N302 PolarHBondContact O-N 3.42Å
279	S	96.9	Very high	96.5	Very high	19 Å²	19	33.9 Å²	33.9	13%	0.133	17%	0.173	C	C	.	.			trans	-157	173.2	176.9	-169.7	0	0	0	0	110.1	M378	S279-M378 VanDerWaalsContact C-CE 3.44Å
280	L	97.4	Very high	96.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.2	C	C	.	.			trans	-130.6	141.6	175.8	-67.7	178.5	0	0	0	110.8	I256 L277 L284 F285 L296 W301 W309 L310 M378	I256-L280 HydrophobicContact CB-CD2 4.46Å; I256-L280 HydrophobicContact CD1-CD2 3.6Å; L277-L280 HydrophobicContact CD1-CD2 4.36Å; L280-L284 HydrophobicContact CB-CD2 4.19Å; L280-L284 HydrophobicContact CD1-CD2 4.36Å; L280-L284 HydrophobicContact CD2-CD2 3.99Å; L280-L284 HydrophobicContact CG-CD2 4.42Å; L280-F285 HydrophobicContact CD1-CE2 3.89Å; L280-F285 HydrophobicContact CD1-CZ 3.58Å; L280-L296 HydrophobicContact CD1-CD1 4.39Å; L280-L296 HydrophobicContact CD1-CD2 4.43Å; L280-W301 HydrophobicContact CD1-CH2 4.08Å; L280-W301 HydrophobicContact CD1-CZ3 4.42Å; L280-W301 HydrophobicContact CD2-CH2 4.26Å; L280-W301 HydrophobicContact CD2-CZ3 4.46Å; L280-W301 HydrophobicContact CG-CH2 3.9Å; L280-W301 HydrophobicContact CG-CZ3 3.89Å; L280-W309 HydrophobicContact CB-CZ2 3.77Å; L280-W309 PolarHBondContact O-NE1 2.88Å; L280-L310 HydrophobicContact CD1-CD1 4.41Å; L280-L310 HydrophobicContact CD1-CD2 4.1Å; L280-M378 VanDerWaalsContact CA-CE 3.45Å; L280-M378 VanDerWaalsContact N-CE 3.28Å; L280-M378 WeakPolarHBondContact O-CE 3.47Å
281	P	97.6	Very high	96.4	Very high	4 Å²	4	41 Å²	41	3%	0.026	20%	0.202	C	C	.	.			trans	-56.4	145.5	179.2	-26.8	33.8	0	0	0	112.6	I256 R258 D283 L284 W309 M378	I256-P281 WeakPolarHBondContact O-CD 3.37Å; I256-P281 WeakPolarHBondContact O-CG 3.38Å; R258-P281 HydrophobicContact CG-CB 4.4Å; P281-D283 PolarHBondContact O-N 3.32Å; P281-L284 VanDerWaalsContact O-CB 3.26Å; P281-L284 WeakPolarHBondContact O-CB 3.32Å; P281-L284 PolarHBondContact O-N 2.76Å; P281-W309 WeakPolarHBondContact O-CZ2 3.43Å; P281-M378 HydrophobicContact CG-CE 4.26Å; P281-M378 VanDerWaalsContact N-CE 3.31Å
282	H	97.5	Very high	96.1	Very high	25 Å²	25	44.2 Å²	44.2	12%	0.116	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	136.8	179	-169.2	-89.4	0	0	0	111.5	L284 W309 M378 N427 V428	H282-L284 PolarHBondContact O-N 2.88Å; H282-W309 AromaticContact CD2-CD1 3.86Å; H282-W309 AromaticContact CD2-CG 3.87Å; H282-M378 WeakPolarHBondContact CB-O 3.3Å; H282-M378 PolarHBondContact N-O 3.25Å; H282-N427 VanDerWaalsContact NE2-C 3.29Å; H282-V428 PolarHBondContact CD2-N 3.36Å; H282-V428 PolarHBondContact NE2-N 2.89Å
283	D	95.6	Very high	95.9	Very high	57 Å²	57	47.9 Å²	47.9	31%	0.305	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	19.6	-178.7	-65.3	-45.2	0	0	0	115.9	P281 F285 T286 P287	P281-D283 PolarHBondContact O-N 3.32Å; D283-F285 PolarHBondContact O-N 3.27Å; D283-F285 VanDerWaalsContact O-N 3.11Å; D283-T286 WeakPolarHBondContact CA-OG1 3.29Å; D283-T286 WeakPolarHBondContact CB-OG1 3.45Å; D283-T286 WeakPolarHBondContact O-CB 3.11Å; D283-T286 PolarHBondContact O-N 3.22Å; D283-T286 VanDerWaalsContact O-N 3.12Å; D283-T286 PolarHBondContact O-OG1 3.1Å; D283-T286 PolarHBondContact OD1-OG1 2.72Å; D283-P287 VanDerWaalsContact O-CD 3.3Å; D283-P287 WeakPolarHBondContact O-CD 3.41Å
284	L	97.3	Very high	95.7	Very high	2 Å²	2	48 Å²	48	1%	0.01	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-32.4	-178	-177.5	69.4	0	0	0	113.5	I256 F261 L280 P281 H282 W309	I256-L284 HydrophobicContact CG2-CD1 4.17Å; I256-L284 HydrophobicContact CG2-CD2 3.99Å; F261-L284 HydrophobicContact CD2-CD1 3.8Å; F261-L284 HydrophobicContact CD2-CD2 3.87Å; F261-L284 HydrophobicContact CD2-CG 3.79Å; F261-L284 HydrophobicContact CE2-CD1 4.36Å; F261-L284 HydrophobicContact CE2-CD2 3.79Å; F261-L284 HydrophobicContact CE2-CG 4.25Å; L280-L284 HydrophobicContact CB-CD2 4.19Å; L280-L284 HydrophobicContact CD1-CD2 4.36Å; L280-L284 HydrophobicContact CD2-CD2 3.99Å; L280-L284 HydrophobicContact CG-CD2 4.42Å; P281-L284 VanDerWaalsContact O-CB 3.26Å; P281-L284 WeakPolarHBondContact O-CB 3.32Å; P281-L284 PolarHBondContact O-N 2.76Å; H282-L284 PolarHBondContact O-N 2.88Å; L284-W309 HydrophobicContact CB-CH2 3.83Å; L284-W309 HydrophobicContact CB-CZ2 4.09Å
285	F	96	Very high	95.6	Very high	1 Å²	1	46.4 Å²	46.4	0%	0.004	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-10.1	-179.5	-54.2	-35.5	0	0	0	114	F261 L270 L280 D283 P287 L288 L291 L294 W309 L310 W313	F261-F285 HydrophobicContact CD2-CE1 4.38Å; L270-F285 HydrophobicContact CD2-CE1 3.74Å; L270-F285 HydrophobicContact CD2-CZ 4.35Å; L280-F285 HydrophobicContact CD1-CE2 3.89Å; L280-F285 HydrophobicContact CD1-CZ 3.58Å; D283-F285 PolarHBondContact O-N 3.27Å; D283-F285 VanDerWaalsContact O-N 3.11Å; F285-P287 VanDerWaalsContact C-CD 3.45Å; F285-L288 HydrophobicContact CD1-CD1 4.02Å; F285-L288 WeakPolarHBondContact O-CB 3.42Å; F285-L288 PolarHBondContact O-N 2.9Å; F285-L291 HydrophobicContact CB-CD2 4.13Å; F285-L291 HydrophobicContact CD1-CD2 4.01Å; F285-L291 HydrophobicContact CG-CD2 4.02Å; F285-L294 HydrophobicContact CD2-CD2 4.23Å; F285-L294 HydrophobicContact CE2-CD1 4.38Å; F285-L294 HydrophobicContact CE2-CD2 3.61Å; F285-L294 HydrophobicContact CZ-CD1 4.04Å; F285-L294 HydrophobicContact CZ-CD2 4.07Å; F285-W309 HydrophobicContact CB-CZ3 4.31Å; F285-W309 AromaticContact CD2-CH2 3.68Å; F285-W309 HydrophobicContact CD2-CH2 3.68Å; F285-W309 AromaticContact CD2-CZ3 3.92Å; F285-W309 HydrophobicContact CD2-CZ3 3.92Å; F285-W309 HydrophobicContact CE2-CH2 4.04Å; F285-W309 HydrophobicContact CG-CH2 4.09Å; F285-W309 HydrophobicContact CG-CZ3 4.31Å; F285-L310 HydrophobicContact CD2-CD1 3.97Å; F285-L310 HydrophobicContact CE2-CD1 3.53Å; F285-W313 HydrophobicContact CB-CD2 4.2Å; F285-W313 HydrophobicContact CB-CZ2 3.91Å; F285-W313 HydrophobicContact CD2-CD2 4.21Å; F285-W313 HydrophobicContact CD2-CE3 4.12Å; F285-W313 HydrophobicContact CD2-CZ3 4.34Å
286	T	94	Very high	95.5	Very high	79 Å²	79	45.8 Å²	45.8	49%	0.485	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-39.4	-179.9	-55.3	0	0	0	0	114	D283 L288	D283-T286 WeakPolarHBondContact CA-OG1 3.29Å; D283-T286 WeakPolarHBondContact CB-OG1 3.45Å; D283-T286 WeakPolarHBondContact O-CB 3.11Å; D283-T286 PolarHBondContact O-N 3.22Å; D283-T286 VanDerWaalsContact O-N 3.12Å; D283-T286 PolarHBondContact O-OG1 3.1Å; D283-T286 PolarHBondContact OD1-OG1 2.72Å; T286-L288 VanDerWaalsContact C-N 3.29Å; T286-L288 PolarHBondContact O-N 2.73Å
287	P	94.5	Very high	95.3	Very high	48 Å²	48	43.3 Å²	43.3	31%	0.312	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-14.8	176	27.6	-32	0	0	0	114.2	D262 D283 F285 R289	D262-P287 HydrophobicContact CB-CG 4.45Å; D262-P287 WeakPolarHBondContact OD1-CG 3.26Å; D283-P287 VanDerWaalsContact O-CD 3.3Å; D283-P287 WeakPolarHBondContact O-CD 3.41Å; F285-P287 VanDerWaalsContact C-CD 3.45Å; P287-R289 PolarHBondContact O-N 3.33Å; P287-R289 VanDerWaalsContact O-N 3.1Å
288	L	95.6	Very high	95.3	Very high	5 Å²	5	49.4 Å²	49.4	3%	0.026	24%	0.242	C	C	.	.			trans	-87.7	73.4	-173.1	-54.1	179.5	0	0	0	111.6	F261 L264 L267 F285 T286 Y290 L291	F261-L288 HydrophobicContact CB-CD1 4.1Å; F261-L288 HydrophobicContact CB-CD2 4.46Å; F261-L288 WeakPolarHBondContact O-CD2 3.43Å; L264-L288 HydrophobicContact CB-CD2 4.34Å; L264-L288 VanDerWaalsContact O-CD2 3.3Å; L264-L288 WeakPolarHBondContact O-CD2 3.28Å; L267-L288 HydrophobicContact CB-CD2 4.47Å; L267-L288 HydrophobicContact CD2-CD1 4.24Å; F285-L288 HydrophobicContact CD1-CD1 4.02Å; F285-L288 WeakPolarHBondContact O-CB 3.42Å; F285-L288 PolarHBondContact O-N 2.9Å; T286-L288 VanDerWaalsContact C-N 3.29Å; T286-L288 PolarHBondContact O-N 2.73Å; L288-Y290 PolarHBondContact O-N 3.36Å; L288-L291 HydrophobicContact CB-CB 3.92Å; L288-L291 HydrophobicContact CB-CD2 4.34Å; L288-L291 HydrophobicContact CD1-CD2 3.95Å; L288-L291 WeakPolarHBondContact O-CB 3.3Å; L288-L291 PolarHBondContact O-N 3.06Å; L288-L291 VanDerWaalsContact O-N 3.13Å
289	R	94.1	Very high	95.3	Very high	222 Å²	222	47 Å²	47	84%	0.838	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-22.6	-170	-60.4	-177.9	-175.1	-178.5	0.7	115.8	P287	P287-R289 PolarHBondContact O-N 3.33Å; P287-R289 VanDerWaalsContact O-N 3.1Å
290	Y	95.2	Very high	95.3	Very high	146 Å²	146	47.7 Å²	47.7	57%	0.573	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.9	2.3	-176.7	-56.4	-71.4	0	0	0	113.5	A265 L267 V268 L288 V292	A265-Y290 WeakPolarHBondContact O-CD2 3.22Å; L267-Y290 CarbonylContact O-C 3.01Å; L267-Y290 VanDerWaalsContact O-C 3.22Å; V268-Y290 WeakPolarHBondContact CA-O 3.16Å; L288-Y290 PolarHBondContact O-N 3.36Å; Y290-V292 PolarHBondContact O-N 3.08Å
291	L	94.7	Very high	95.3	Very high	6 Å²	6	47.7 Å²	47.7	3%	0.031	23%	0.228	C	C	.	.			trans	-71.7	116.6	-175.9	-170.3	71.5	0	0	0	110.3	L267 L270 F285 L288 L294 W313	L267-L291 HydrophobicContact CD2-CD1 4.24Å; L267-L291 HydrophobicContact CG-CD1 4.3Å; L267-L291 WeakPolarHBondContact O-CA 3.39Å; L267-L291 PolarHBondContact O-N 2.96Å; L267-L291 VanDerWaalsContact O-N 3.14Å; L270-L291 HydrophobicContact CB-CD1 3.95Å; F285-L291 HydrophobicContact CB-CD2 4.13Å; F285-L291 HydrophobicContact CD1-CD2 4.01Å; F285-L291 HydrophobicContact CG-CD2 4.02Å; L288-L291 HydrophobicContact CB-CB 3.92Å; L288-L291 HydrophobicContact CB-CD2 4.34Å; L288-L291 HydrophobicContact CD1-CD2 3.95Å; L288-L291 WeakPolarHBondContact O-CB 3.3Å; L288-L291 PolarHBondContact O-N 3.06Å; L288-L291 VanDerWaalsContact O-N 3.13Å; L291-L294 HydrophobicContact CD2-CD1 4.41Å; L291-W313 HydrophobicContact CB-CH2 4.34Å; L291-W313 HydrophobicContact CB-CZ2 4.39Å; L291-W313 HydrophobicContact CD2-CH2 3.74Å; L291-W313 HydrophobicContact CD2-CZ2 4.05Å; L291-W313 HydrophobicContact CG-CH2 4.07Å
292	V	91.4	Very high	95.3	Very high	84 Å²	84	50 Å²	50	51%	0.509	24%	0.24	S	C	.	.			trans	-131.5	-17.2	-176.3	-65.4	0	0	0	0	113.3	V268 Y290 I318	V268-V292 HydrophobicContact CG1-CG2 3.69Å; V268-V292 PolarHBondContact O-N 3.33Å; Y290-V292 PolarHBondContact O-N 3.08Å; V292-I318 VanDerWaalsContact O-CD1 3.28Å; V292-I318 WeakPolarHBondContact O-CD1 3.39Å
293	E	92.4	Very high	95.2	Very high	77 Å²	77	48.8 Å²	48.8	36%	0.36	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	119.8	178	-172.1	167.7	179.4	0	0	110.1	V268 E269 L270 H295 H553	V268-E293 PolarHBondContact O-N 3.45Å; E269-E293 CarbonylContact C-O 3.34Å; E269-E293 VanDerWaalsContact CA-O 3.26Å; E269-E293 WeakPolarHBondContact CA-O 3.33Å; E269-E293 HydrophobicContact CB-CB 4.19Å; E269-E293 HydrophobicContact CG-CB 3.9Å; E269-E293 HydrophobicContact CG-CG 3.85Å; L270-E293 PolarHBondContact N-O 3.29Å; E293-H295 IonicContact OE1-CE1 2.64Å; E293-H295 IonicContact OE1-NE2 3.15Å; E293-H295 PolarHBondContact OE1-NE2 2.64Å; E293-H295 VanDerWaalsContact OE1-NE2 3.1Å; E293-H553 IonicContact OE1-NE2 3.7Å
294	L	93.4	Very high	95.2	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.01	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	134.7	-174	-170.4	67.4	0	0	0	109.5	L270 F285 L291 L296 W313 L314 I318 C324	L270-L294 HydrophobicContact CB-CD1 3.75Å; L270-L294 HydrophobicContact CD2-CD1 3.88Å; L270-L294 HydrophobicContact CG-CD1 3.94Å; L270-L294 CarbonylContact O-C 3.48Å; L270-L294 WeakPolarHBondContact O-CA 3.31Å; F285-L294 HydrophobicContact CD2-CD2 4.23Å; F285-L294 HydrophobicContact CE2-CD1 4.38Å; F285-L294 HydrophobicContact CE2-CD2 3.61Å; F285-L294 HydrophobicContact CZ-CD1 4.04Å; F285-L294 HydrophobicContact CZ-CD2 4.07Å; L291-L294 HydrophobicContact CD2-CD1 4.41Å; L294-L296 HydrophobicContact CD1-CD2 4.29Å; L294-L296 HydrophobicContact CD1-CG 4.5Å; L294-L296 HydrophobicContact CD2-CD1 3.75Å; L294-L296 HydrophobicContact CD2-CD2 4.38Å; L294-L296 HydrophobicContact CD2-CG 3.88Å; L294-L296 HydrophobicContact CG-CD1 4.33Å; L294-L296 HydrophobicContact CG-CD2 4.22Å; L294-L296 HydrophobicContact CG-CG 3.9Å; L294-W313 HydrophobicContact CD2-CZ3 4.07Å; L294-L314 HydrophobicContact CD2-CD2 3.84Å; L294-I318 HydrophobicContact CB-CD1 4.32Å; L294-C324 WeakPolarHBondContact O-CB 3.19Å
295	H	94.8	Very high	95.1	Very high	30 Å²	30	49.9 Å²	49.9	14%	0.139	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	104.7	176.5	-55	-96	0	0	0	109.7	E269 L270 N271 L272 A273 E293	E269-H295 IonicContact OE1-NE2 3.32Å; L270-H295 PolarHBondContact O-N 2.91Å; N271-H295 HydrophobicContact CB-CB 4.13Å; N271-H295 WeakPolarHBondContact OD1-CB 3.39Å; L272-H295 CarbonylContact C-O 3.57Å; L272-H295 PolarHBondContact N-O 2.89Å; A273-H295 HydrophobicContact CB-CB 4.35Å; A273-H295 PolarHBondContact N-O 3.04Å; A273-H295 VanDerWaalsContact N-O 3.16Å; E293-H295 IonicContact OE1-CE1 2.64Å; E293-H295 IonicContact OE1-NE2 3.15Å; E293-H295 PolarHBondContact OE1-NE2 2.64Å; E293-H295 VanDerWaalsContact OE1-NE2 3.1Å
296	L	95.6	Very high	95.1	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.255	C	S	.	.			trans	-114.6	-0.4	-178.1	-66.4	-173.5	0	0	0	113.2	L272 L280 L294 N299 W301 L310 C324	L272-L296 HydrophobicContact CB-CD2 4.14Å; L272-L296 HydrophobicContact CD1-CD2 4.19Å; L280-L296 HydrophobicContact CD1-CD1 4.39Å; L280-L296 HydrophobicContact CD1-CD2 4.43Å; L294-L296 HydrophobicContact CD1-CD2 4.29Å; L294-L296 HydrophobicContact CD1-CG 4.5Å; L294-L296 HydrophobicContact CD2-CD1 3.75Å; L294-L296 HydrophobicContact CD2-CD2 4.38Å; L294-L296 HydrophobicContact CD2-CG 3.88Å; L294-L296 HydrophobicContact CG-CD1 4.33Å; L294-L296 HydrophobicContact CG-CD2 4.22Å; L294-L296 HydrophobicContact CG-CG 3.9Å; L296-N299 PolarHBondContact O-ND2 3.02Å; L296-N299 VanDerWaalsContact O-ND2 3.1Å; L296-W301 HydrophobicContact CB-CZ2 3.73Å; L296-W301 HydrophobicContact CD1-CZ2 4.18Å; L296-W301 HydrophobicContact CD2-CH2 4.32Å; L296-W301 HydrophobicContact CD2-CZ2 4.03Å; L296-W301 HydrophobicContact CG-CZ2 4.18Å; L296-W301 PolarHBondContact O-NE1 2.92Å; L296-L310 HydrophobicContact CD1-CD1 4.05Å; L296-L310 HydrophobicContact CD1-CD2 3.86Å; L296-L310 HydrophobicContact CD1-CG 4.47Å; L296-C324 PolarHBondContact N-O 2.9Å
297	H	94.2	Very high	95.1	Very high	44 Å²	44	48.2 Å²	48.2	20%	0.204	23%	0.232	C	C	.	.			trans	-63.4	157.4	-177	65.6	61	0	0	0	113.1	A273 H274 C324	A273-H297 VanDerWaalsContact CA-O 3.24Å; A273-H297 WeakPolarHBondContact CA-O 3.43Å; A273-H297 WeakPolarHBondContact CB-CE1 3.39Å; A273-H297 WeakPolarHBondContact CB-ND1 3.49Å; A273-H297 WeakPolarHBondContact CB-O 3.29Å; H274-H297 AromaticContact CE1-CE1 3.45Å; H274-H297 PolarHBondContact CE1-CE1 3.19Å; H274-H297 VanDerWaalsContact CE1-CE1 3.45Å; H274-H297 AromaticContact CE1-ND1 3.7Å; H274-H297 PolarHBondContact N-O 3.31Å; H274-H297 AromaticContact ND1-CE1 3.65Å; H274-H297 AromaticContact ND1-ND1 3.83Å; H297-C324 PolarHBondContact N-O 2.99Å
298	H	96	Very high	95.1	Very high	127 Å²	127	46.2 Å²	46.2	59%	0.588	22%	0.218	S	C	*	.	S	Bend	trans	60	47.1	-179	-60.3	76.9	0	0	0	112.8	H274 N275	H274-H298 WeakPolarHBondContact CA-O 3.3Å; H274-H298 HydrophobicContact CB-CB 4.36Å; H274-H298 AromaticContact CD2-CD2 3.89Å; H274-H298 AromaticContact CD2-CG 3.69Å; H274-H298 AromaticContact CE1-CG 3.85Å; H274-H298 AromaticContact CE1-ND1 3.78Å; H274-H298 PolarHBondContact N-O 3.44Å; H274-H298 AromaticContact NE2-CD2 3.57Å; H274-H298 AromaticContact NE2-CE1 3.97Å; H274-H298 AromaticContact NE2-CG 3.44Å; H274-H298 AromaticContact NE2-ND1 3.71Å; H274-H298 AromaticContact NE2-NE2 3.95Å; N275-H298 PolarHBondContact N-O 3.31Å
299	N	97.4	Very high	95.1	Very high	10 Å²	10	46.6 Å²	46.6	5%	0.053	22%	0.219	C	C	.	.	S	Bend	trans	-127.6	145.7	168.1	-80	-77.4	0	0	0	108.8	L272 N275 N276 L277 L296 W301	L272-N299 PolarHBondContact O-ND2 2.71Å; N275-N299 VanDerWaalsContact CA-OD1 3.23Å; N275-N299 WeakPolarHBondContact CA-OD1 3.36Å; N275-N299 WeakPolarHBondContact CB-OD1 3.24Å; N275-N299 PolarHBondContact N-OD1 3.5Å; N275-N299 PolarHBondContact O-OD1 3.23Å; N276-N299 PolarHBondContact N-OD1 2.99Å; L277-N299 HydrophobicContact CB-CB 4.23Å; L277-N299 WeakPolarHBondContact CB-OD1 2.94Å; L277-N299 PolarHBondContact N-OD1 2.85Å; L296-N299 PolarHBondContact O-ND2 3.02Å; L296-N299 VanDerWaalsContact O-ND2 3.1Å; N299-W301 HydrophobicContact CB-CD2 4.16Å; N299-W301 HydrophobicContact CB-CG 4.47Å; N299-W301 HydrophobicContact CB-CH2 4.47Å; N299-W301 HydrophobicContact CB-CZ2 3.69Å; N299-W301 PolarHBondContact O-N 3.14Å
300	P	97.2	Very high	95.2	Very high	32 Å²	32	36 Å²	36	21%	0.208	18%	0.179	C	C	.	.			trans	-78.4	62.4	-179.6	34.5	-38.2	0	0	0	112.4	N276 L277 S278 N302 H329	N276-P300 WeakPolarHBondContact OD1-CG 3.27Å; L277-P300 CarbonylContact O-C 3.6Å; L277-P300 WeakPolarHBondContact O-CD 3.26Å; S278-P300 WeakPolarHBondContact CA-O 3.49Å; S278-P300 PolarHBondContact OG-O 3.29Å; P300-N302 PolarHBondContact O-N 3.17Å; P300-H329 HydrophobicContact CB-CB 4.26Å
301	W	97.3	Very high	95.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	127.6	-176.7	-62.9	113.4	0	0	0	112.7	L277 L280 L296 N299 I307 H329 A330 L339	L277-W301 HydrophobicContact CB-CH2 3.75Å; L277-W301 HydrophobicContact CB-CZ2 4.38Å; L277-W301 HydrophobicContact CB-CZ3 3.93Å; L277-W301 HydrophobicContact CD1-CH2 4.07Å; L280-W301 HydrophobicContact CD1-CH2 4.08Å; L280-W301 HydrophobicContact CD1-CZ3 4.42Å; L280-W301 HydrophobicContact CD2-CH2 4.26Å; L280-W301 HydrophobicContact CD2-CZ3 4.46Å; L280-W301 HydrophobicContact CG-CH2 3.9Å; L280-W301 HydrophobicContact CG-CZ3 3.89Å; L296-W301 HydrophobicContact CB-CZ2 3.73Å; L296-W301 HydrophobicContact CD1-CZ2 4.18Å; L296-W301 HydrophobicContact CD2-CH2 4.32Å; L296-W301 HydrophobicContact CD2-CZ2 4.03Å; L296-W301 HydrophobicContact CG-CZ2 4.18Å; L296-W301 PolarHBondContact O-NE1 2.92Å; N299-W301 HydrophobicContact CB-CD2 4.16Å; N299-W301 HydrophobicContact CB-CG 4.47Å; N299-W301 HydrophobicContact CB-CH2 4.47Å; N299-W301 HydrophobicContact CB-CZ2 3.69Å; N299-W301 PolarHBondContact O-N 3.14Å; W301-I307 HydrophobicContact CE3-CD1 4.08Å; W301-H329 PolarHBondContact O-N 3.34Å; W301-A330 PolarHBondContact O-N 2.9Å; W301-A330 VanDerWaalsContact O-N 3.15Å; W301-L339 HydrophobicContact CB-CD1 4.47Å; W301-L339 HydrophobicContact CB-CD2 4.13Å; W301-L339 HydrophobicContact CD2-CD1 3.91Å; W301-L339 HydrophobicContact CG-CD1 3.73Å; W301-L339 HydrophobicContact CG-CD2 4.26Å; W301-L339 HydrophobicContact CG-CG 4.35Å
302	N	97.1	Very high	95	Very high	52 Å²	52	35 Å²	35	28%	0.278	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	109.2	168.6	-178	27.4	0	0	0	108.7	S278 P300 D304 A330	S278-N302 PolarHBondContact O-N 3.42Å; P300-N302 PolarHBondContact O-N 3.17Å; N302-D304 PolarHBondContact ND2-OD2 3.32Å; N302-D304 PolarHBondContact O-N 3.19Å; N302-A330 CarbonylContact C-O 3.59Å; N302-A330 WeakPolarHBondContact CA-O 3.43Å; N302-A330 HydrophobicContact CB-CB 4.45Å
303	C	96	Very high	95.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.151	C	C	.	.			trans	-90.8	75.7	-175.8	-66.7	0	0	0	0	111.2	I307 C328 A330 P331 M334 L339 V342 F347	C303-I307 HydrophobicContact CB-CG2 4.16Å; C303-C328 HydrophobicContact CB-CB 3.81Å; C303-C328 WeakPolarHBondContact CB-SG 3.38Å; C303-C328 WeakPolarHBondContact SG-CA 3.47Å; C303-C328 WeakPolarHBondContact SG-CB 3.47Å; C303-C328 CovalentContact SG-SG 2.02Å; C303-C328 PolarHBondContact SG-SG 3.46Å; C303-A330 PolarHBondContact N-O 3.06Å; C303-P331 VanDerWaalsContact O-CD 3.32Å; C303-P331 WeakPolarHBondContact O-CD 3.24Å; C303-M334 HydrophobicContact CB-CB 4.09Å; C303-M334 HydrophobicContact CB-CG 4.31Å; C303-L339 WeakPolarHBondContact SG-CD2 3.2Å; C303-V342 HydrophobicContact CB-CG2 4.4Å; C303-F347 WeakPolarHBondContact O-CE1 3.36Å; C303-F347 VanDerWaalsContact O-CZ 3.25Å; C303-F347 WeakPolarHBondContact O-CZ 3.39Å
304	D	94.5	Very high	95.1	Very high	47 Å²	47	27.8 Å²	27.8	25%	0.251	13%	0.134	S	C	.	.	S	Bend	trans	-111.6	-160.1	172.9	60.8	19.8	0	0	0	111.1	N302 D306 I307	N302-D304 PolarHBondContact ND2-OD2 3.32Å; N302-D304 PolarHBondContact O-N 3.19Å; D304-D306 PolarHBondContact O-N 3.11Å; D304-D306 WeakPolarHBondContact OD1-CB 3.4Å; D304-D306 PolarHBondContact OD1-N 2.81Å; D304-I307 WeakPolarHBondContact O-CG2 3.32Å; D304-I307 PolarHBondContact O-N 2.87Å
305	C	95.4	Very high	95	Very high	35 Å²	35	33 Å²	33	24%	0.236	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-61.1	-26.6	179	-74.5	0	0	0	0	113.9	I307 L308 C349 V428	C305-I307 VanDerWaalsContact C-N 3.28Å; C305-I307 PolarHBondContact O-N 3.26Å; C305-L308 HydrophobicContact CB-CD1 4.48Å; C305-L308 PolarHBondContact O-N 2.78Å; C305-C349 HydrophobicContact CB-CB 3.83Å; C305-C349 WeakPolarHBondContact CB-SG 3.37Å; C305-C349 WeakPolarHBondContact SG-CA 3.26Å; C305-C349 WeakPolarHBondContact SG-CB 3.35Å; C305-C349 CovalentContact SG-SG 2.04Å; C305-C349 PolarHBondContact SG-SG 3.07Å; C305-V428 WeakPolarHBondContact O-CG1 3.36Å
306	D	95.8	Very high	94.8	Very high	46 Å²	46	37.6 Å²	37.6	25%	0.246	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-75.3	-19.3	-176.7	-67.5	-28.1	0	0	0	112.1	D304 W309 M378	D304-D306 PolarHBondContact O-N 3.11Å; D304-D306 WeakPolarHBondContact OD1-CB 3.4Å; D304-D306 PolarHBondContact OD1-N 2.81Å; D306-W309 PolarHBondContact O-NE1 3.37Å; D306-M378 HydrophobicContact CB-CB 3.94Å; D306-M378 HydrophobicContact CB-CG 4.09Å; D306-M378 VanDerWaalsContact OD2-CG 3.3Å; D306-M378 WeakPolarHBondContact OD2-CG 3.33Å
307	I	94.9	Very high	94.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-85.1	-15.5	178.7	-146.6	61.4	0	0	0	113.5	W301 C303 D304 C305 W309 L310 A311 L339 V342	W301-I307 HydrophobicContact CE3-CD1 4.08Å; C303-I307 HydrophobicContact CB-CG2 4.16Å; D304-I307 WeakPolarHBondContact O-CG2 3.32Å; D304-I307 PolarHBondContact O-N 2.87Å; C305-I307 VanDerWaalsContact C-N 3.28Å; C305-I307 PolarHBondContact O-N 3.26Å; I307-W309 VanDerWaalsContact C-N 3.31Å; I307-W309 PolarHBondContact O-N 3.29Å; I307-L310 HydrophobicContact CD1-CB 4.31Å; I307-L310 HydrophobicContact CD1-CD2 3.59Å; I307-L310 HydrophobicContact CG1-CD2 4.24Å; I307-L310 WeakPolarHBondContact O-CA 3.4Å; I307-L310 WeakPolarHBondContact O-CB 3.37Å; I307-L310 PolarHBondContact O-N 3.35Å; I307-A311 PolarHBondContact O-N 2.81Å; I307-L339 HydrophobicContact CD1-CD2 4.36Å; I307-L339 HydrophobicContact CG1-CD2 3.69Å; I307-V342 HydrophobicContact CG2-CG1 4.06Å
308	L	95	Very high	94.1	Very high	5 Å²	5	42 Å²	42	3%	0.026	19%	0.192	C	C	.	.	H	α-helix	trans	-61.5	-37.3	-169.4	-76.8	165.6	0	0	0	113.1	C305 L310 A311 W312 V342 Q344 F347 C349 V428	C305-L308 HydrophobicContact CB-CD1 4.48Å; C305-L308 PolarHBondContact O-N 2.78Å; L308-L310 VanDerWaalsContact C-N 3.28Å; L308-L310 PolarHBondContact O-N 3.03Å; L308-A311 PolarHBondContact O-N 2.79Å; L308-W312 WeakPolarHBondContact O-CB 3.48Å; L308-W312 PolarHBondContact O-N 3.47Å; L308-V342 HydrophobicContact CD2-CG1 4.41Å; L308-Q344 HydrophobicContact CD1-CG 4.43Å; L308-Q344 HydrophobicContact CD2-CB 4.05Å; L308-F347 HydrophobicContact CD1-CB 4.15Å; L308-F347 HydrophobicContact CD1-CD2 4.43Å; L308-F347 HydrophobicContact CD1-CG 4.39Å; L308-F347 HydrophobicContact CD2-CD2 3.95Å; L308-F347 HydrophobicContact CD2-CE2 4.33Å; L308-F347 HydrophobicContact CG-CD2 4.48Å; L308-C349 WeakPolarHBondContact CD1-SG 3.01Å; L308-V428 HydrophobicContact CB-CB 4.39Å; L308-V428 HydrophobicContact CB-CG1 4.11Å; L308-V428 HydrophobicContact CB-CG2 3.94Å; L308-V428 HydrophobicContact CD1-CG1 4.04Å
309	W	95.4	Very high	93.3	Very high	14 Å²	14	40.2 Å²	40.2	5%	0.053	19%	0.192	C	C	.	.	H	α-helix	trans	-61.7	-40.4	175.7	79.3	-93.6	0	0	0	110.8	L280 P281 H282 L284 F285 D306 I307 W312 W313	L280-W309 HydrophobicContact CB-CZ2 3.77Å; L280-W309 PolarHBondContact O-NE1 2.88Å; P281-W309 WeakPolarHBondContact O-CZ2 3.43Å; H282-W309 AromaticContact CD2-CD1 3.86Å; H282-W309 AromaticContact CD2-CG 3.87Å; L284-W309 HydrophobicContact CB-CH2 3.83Å; L284-W309 HydrophobicContact CB-CZ2 4.09Å; F285-W309 HydrophobicContact CB-CZ3 4.31Å; F285-W309 AromaticContact CD2-CH2 3.68Å; F285-W309 HydrophobicContact CD2-CH2 3.68Å; F285-W309 AromaticContact CD2-CZ3 3.92Å; F285-W309 HydrophobicContact CD2-CZ3 3.92Å; F285-W309 HydrophobicContact CE2-CH2 4.04Å; F285-W309 HydrophobicContact CG-CH2 4.09Å; F285-W309 HydrophobicContact CG-CZ3 4.31Å; D306-W309 PolarHBondContact O-NE1 3.37Å; I307-W309 VanDerWaalsContact C-N 3.31Å; I307-W309 PolarHBondContact O-N 3.29Å; W309-W312 PolarHBondContact O-N 2.88Å; W309-W313 HydrophobicContact CE3-CB 4.42Å; W309-W313 HydrophobicContact CZ3-CB 4.46Å; W309-W313 VanDerWaalsContact O-CB 3.3Å; W309-W313 WeakPolarHBondContact O-CB 3.42Å; W309-W313 PolarHBondContact O-N 2.91Å
310	L	95.3	Very high	91.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-68.8	-45.1	178.4	176.5	65.7	0	0	0	110.7	L280 F285 L296 I307 L308 W312 W313 L314 L339	L280-L310 HydrophobicContact CD1-CD1 4.41Å; L280-L310 HydrophobicContact CD1-CD2 4.1Å; F285-L310 HydrophobicContact CD2-CD1 3.97Å; F285-L310 HydrophobicContact CE2-CD1 3.53Å; L296-L310 HydrophobicContact CD1-CD1 4.05Å; L296-L310 HydrophobicContact CD1-CD2 3.86Å; L296-L310 HydrophobicContact CD1-CG 4.47Å; I307-L310 HydrophobicContact CD1-CB 4.31Å; I307-L310 HydrophobicContact CD1-CD2 3.59Å; I307-L310 HydrophobicContact CG1-CD2 4.24Å; I307-L310 WeakPolarHBondContact O-CA 3.4Å; I307-L310 WeakPolarHBondContact O-CB 3.37Å; I307-L310 PolarHBondContact O-N 3.35Å; L308-L310 VanDerWaalsContact C-N 3.28Å; L308-L310 PolarHBondContact O-N 3.03Å; L310-W312 VanDerWaalsContact C-N 3.3Å; L310-W312 PolarHBondContact O-N 2.85Å; L310-W313 PolarHBondContact O-N 3.16Å; L310-L314 HydrophobicContact CD1-CD1 4.24Å; L310-L314 HydrophobicContact CD1-CD2 4.46Å; L310-L314 HydrophobicContact CD1-CG 4.06Å; L310-L314 HydrophobicContact CG-CD1 4.03Å; L310-L314 HydrophobicContact CG-CG 4.29Å; L310-L314 WeakPolarHBondContact O-CB 3.36Å; L310-L314 VanDerWaalsContact O-CG 3.23Å; L310-L314 WeakPolarHBondContact O-CG 3.26Å; L310-L314 PolarHBondContact O-N 2.85Å; L310-L339 HydrophobicContact CD2-CD1 4.21Å
311	A	93.6	Very high	90.2	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-59.6	-41.5	176.9	0	0	0	0	0	111.8	I307 L308 R315 L339 V342	I307-A311 PolarHBondContact O-N 2.81Å; L308-A311 PolarHBondContact O-N 2.79Å; A311-R315 WeakPolarHBondContact O-CG 3.28Å; A311-R315 PolarHBondContact O-N 3.12Å; A311-R315 PolarHBondContact O-NE 3.11Å; A311-L339 VanDerWaalsContact CB-O 3.29Å; A311-L339 WeakPolarHBondContact CB-O 3.01Å; A311-V342 HydrophobicContact CB-CB 4.03Å; A311-V342 WeakPolarHBondContact CB-O 3.15Å
312	W	92.9	Very high	88.6	Confident	129 Å²	129	55.1 Å²	55.1	49%	0.489	28%	0.279	S	S	.	.	H	α-helix	trans	-62.8	-50.3	171.5	176.9	84.5	0	0	0	112	L308 W309 L310 L314 R315 E316 Y317	L308-W312 WeakPolarHBondContact O-CB 3.48Å; L308-W312 PolarHBondContact O-N 3.47Å; W309-W312 PolarHBondContact O-N 2.88Å; L310-W312 VanDerWaalsContact C-N 3.3Å; L310-W312 PolarHBondContact O-N 2.85Å; W312-L314 VanDerWaalsContact C-N 3.32Å; W312-L314 PolarHBondContact O-N 2.84Å; W312-R315 PolarHBondContact O-N 2.95Å; W312-R315 VanDerWaalsContact O-N 3.09Å; W312-E316 HydrophobicContact CH2-CG 4.49Å; W312-E316 HydrophobicContact CZ2-CB 4.48Å; W312-E316 HydrophobicContact CZ2-CG 4.32Å; W312-E316 PolarHBondContact O-N 3Å; W312-E316 VanDerWaalsContact O-N 3.15Å; W312-Y317 HydrophobicContact CH2-CE2 4.11Å; W312-Y317 HydrophobicContact CZ3-CE2 4.03Å
313	W	93.5	Very high	87.2	Confident	8 Å²	8	59.4 Å²	59.4	3%	0.03	31%	0.307	C	S	.	.	H	α-helix	trans	-58.6	-43.7	-178.2	-170.4	96	0	0	0	111.9	F285 L291 L294 W309 L310 R315 E316 Y317 I318	F285-W313 HydrophobicContact CB-CD2 4.2Å; F285-W313 HydrophobicContact CB-CZ2 3.91Å; F285-W313 HydrophobicContact CD2-CD2 4.21Å; F285-W313 HydrophobicContact CD2-CE3 4.12Å; F285-W313 HydrophobicContact CD2-CZ3 4.34Å; L291-W313 HydrophobicContact CB-CH2 4.34Å; L291-W313 HydrophobicContact CB-CZ2 4.39Å; L291-W313 HydrophobicContact CD2-CH2 3.74Å; L291-W313 HydrophobicContact CD2-CZ2 4.05Å; L291-W313 HydrophobicContact CG-CH2 4.07Å; L294-W313 HydrophobicContact CD2-CZ3 4.07Å; W309-W313 HydrophobicContact CE3-CB 4.42Å; W309-W313 HydrophobicContact CZ3-CB 4.46Å; W309-W313 VanDerWaalsContact O-CB 3.3Å; W309-W313 WeakPolarHBondContact O-CB 3.42Å; W309-W313 PolarHBondContact O-N 2.91Å; L310-W313 PolarHBondContact O-N 3.16Å; W313-R315 VanDerWaalsContact C-N 3.32Å; W313-R315 PolarHBondContact O-N 3.05Å; W313-E316 PolarHBondContact O-N 3.45Å; W313-Y317 AromaticContact CD1-CD2 3.52Å; W313-Y317 AromaticContact CD1-CE2 3.66Å; W313-Y317 AromaticContact CD2-CD2 3.84Å; W313-Y317 HydrophobicContact CD2-CD2 3.84Å; W313-Y317 HydrophobicContact CD2-CG 4.4Å; W313-Y317 AromaticContact CE2-CD2 3.64Å; W313-Y317 AromaticContact CE2-CG 3.98Å; W313-Y317 AromaticContact CG-CD2 3.75Å; W313-Y317 HydrophobicContact CG-CD2 3.75Å; W313-Y317 HydrophobicContact CG-CE2 4.27Å; W313-Y317 HydrophobicContact CZ2-CD2 4.29Å; W313-Y317 HydrophobicContact CZ2-CG 4.16Å; W313-Y317 AromaticContact NE1-CD2 3.45Å; W313-Y317 AromaticContact NE1-CE2 3.72Å; W313-Y317 WeakPolarHBondContact O-CD2 3.32Å; W313-Y317 PolarHBondContact O-N 3.35Å; W313-I318 HydrophobicContact CE3-CG1 4.37Å; W313-I318 HydrophobicContact CH2-CD1 4.03Å; W313-I318 HydrophobicContact CH2-CG1 4.37Å; W313-I318 HydrophobicContact CZ3-CD1 3.77Å; W313-I318 HydrophobicContact CZ3-CG1 3.65Å
314	L	92.5	Very high	86.2	Confident	2 Å²	2	59.9 Å²	59.9	1%	0.01	31%	0.31	C	S	.	.	H	α-helix	trans	-62.8	-36.2	177.7	-69.3	172.6	0	0	0	112.9	L294 L310 W312 I318 C325 L339 V340	L294-L314 HydrophobicContact CD2-CD2 3.84Å; L310-L314 HydrophobicContact CD1-CD1 4.24Å; L310-L314 HydrophobicContact CD1-CD2 4.46Å; L310-L314 HydrophobicContact CD1-CG 4.06Å; L310-L314 HydrophobicContact CG-CD1 4.03Å; L310-L314 HydrophobicContact CG-CG 4.29Å; L310-L314 WeakPolarHBondContact O-CB 3.36Å; L310-L314 VanDerWaalsContact O-CG 3.23Å; L310-L314 WeakPolarHBondContact O-CG 3.26Å; L310-L314 PolarHBondContact O-N 2.85Å; W312-L314 VanDerWaalsContact C-N 3.32Å; W312-L314 PolarHBondContact O-N 2.84Å; L314-I318 HydrophobicContact CD2-CG1 3.88Å; L314-I318 WeakPolarHBondContact O-CB 3.25Å; L314-I318 PolarHBondContact O-N 2.92Å; L314-C325 HydrophobicContact CD1-CB 3.82Å; L314-C325 HydrophobicContact CD2-CB 4.41Å; L314-C325 WeakPolarHBondContact CD2-SG 3.45Å; L314-L339 HydrophobicContact CD1-CB 4.09Å; L314-V340 HydrophobicContact CB-CG1 3.8Å; L314-V340 HydrophobicContact CD1-CG1 4.03Å
315	R	90.1	Very high	85.4	Confident	112 Å²	112	58 Å²	58	42%	0.423	30%	0.301	S	S	.	.	H	α-helix	trans	-69.1	-35.4	177.7	-74	-178.8	-67.8	-165.8	5	112.3	A311 W312 W313 V340 D343	A311-R315 WeakPolarHBondContact O-CG 3.28Å; A311-R315 PolarHBondContact O-N 3.12Å; A311-R315 PolarHBondContact O-NE 3.11Å; W312-R315 PolarHBondContact O-N 2.95Å; W312-R315 VanDerWaalsContact O-N 3.09Å; W313-R315 VanDerWaalsContact C-N 3.32Å; W313-R315 PolarHBondContact O-N 3.05Å; R315-V340 WeakPolarHBondContact CD-O 3.46Å; R315-V340 WeakPolarHBondContact CG-O 3.35Å; R315-D343 IonicContact NH1-OD1 3.75Å; R315-D343 PolarHBondContact NH1-OD1 2.82Å; R315-D343 IonicContact NH2-OD1 3.22Å
316	E	90.7	Very high	85	Confident	126 Å²	126	56.9 Å²	56.9	59%	0.589	30%	0.295	S	S	*	.	H	α-helix	trans	-82.2	-42.8	-175.8	-169.2	65.4	-163.6	0	0	112.3	W312 W313	W312-E316 HydrophobicContact CH2-CG 4.49Å; W312-E316 HydrophobicContact CZ2-CB 4.48Å; W312-E316 HydrophobicContact CZ2-CG 4.32Å; W312-E316 PolarHBondContact O-N 3Å; W312-E316 VanDerWaalsContact O-N 3.15Å; W313-E316 PolarHBondContact O-N 3.45Å
317	Y	90.5	Very high	84.9	Confident	124 Å²	124	61.1 Å²	61.1	49%	0.486	31%	0.308	S	S	.	.	H	α-helix	trans	-105.4	-21.2	-167.3	-65.2	-78.4	0	0	0	114.9	W312 W313	W312-Y317 HydrophobicContact CH2-CE2 4.11Å; W312-Y317 HydrophobicContact CZ3-CE2 4.03Å; W313-Y317 AromaticContact CD1-CD2 3.52Å; W313-Y317 AromaticContact CD1-CE2 3.66Å; W313-Y317 AromaticContact CD2-CD2 3.84Å; W313-Y317 HydrophobicContact CD2-CD2 3.84Å; W313-Y317 HydrophobicContact CD2-CG 4.4Å; W313-Y317 AromaticContact CE2-CD2 3.64Å; W313-Y317 AromaticContact CE2-CG 3.98Å; W313-Y317 AromaticContact CG-CD2 3.75Å; W313-Y317 HydrophobicContact CG-CD2 3.75Å; W313-Y317 HydrophobicContact CG-CE2 4.27Å; W313-Y317 HydrophobicContact CZ2-CD2 4.29Å; W313-Y317 HydrophobicContact CZ2-CG 4.16Å; W313-Y317 AromaticContact NE1-CD2 3.45Å; W313-Y317 AromaticContact NE1-CE2 3.72Å; W313-Y317 WeakPolarHBondContact O-CD2 3.32Å; W313-Y317 PolarHBondContact O-N 3.35Å
318	I	85.8	Confident	85	Confident	14 Å²	14	61.3 Å²	61.3	7%	0.072	31%	0.309	C	S	.	.	S	Bend	trans	-104.4	126	-175.3	-58.7	-61.3	0	0	0	111.1	V292 L294 W313 L314 T320 S322	V292-I318 VanDerWaalsContact O-CD1 3.28Å; V292-I318 WeakPolarHBondContact O-CD1 3.39Å; L294-I318 HydrophobicContact CB-CD1 4.32Å; W313-I318 HydrophobicContact CE3-CG1 4.37Å; W313-I318 HydrophobicContact CH2-CD1 4.03Å; W313-I318 HydrophobicContact CH2-CG1 4.37Å; W313-I318 HydrophobicContact CZ3-CD1 3.77Å; W313-I318 HydrophobicContact CZ3-CG1 3.65Å; L314-I318 HydrophobicContact CD2-CG1 3.88Å; L314-I318 WeakPolarHBondContact O-CB 3.25Å; L314-I318 PolarHBondContact O-N 2.92Å; I318-T320 PolarHBondContact O-N 3.3Å; I318-S322 WeakPolarHBondContact CG2-OG 3.28Å
319	P	78.4	Confident	85.1	Confident	89 Å²	89	65.7 Å²	65.7	58%	0.578	33%	0.329	S	S	*	.			trans	-58.7	137.5	177.3	-24.8	33.7	0	0	0	113	N321 S322	P319-N321 PolarHBondContact O-N 3.33Å; P319-S322 PolarHBondContact O-N 3.19Å; P319-S322 PolarHBondContact O-OG 3.27Å
320	T	66.2	Low	85.1	Confident	143 Å²	143	66.8 Å²	66.8	88%	0.877	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-17.8	-173.5	51.4	0	0	0	0	115.6	I318 S322	I318-T320 PolarHBondContact O-N 3.3Å; T320-S322 VanDerWaalsContact C-N 3.27Å; T320-S322 PolarHBondContact O-N 2.95Å
321	N	63.2	Low	85.1	Confident	161 Å²	161	68.6 Å²	68.6	86%	0.861	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	13.5	-178.1	-74.7	-19.8	0	0	0	114.5	P319	P319-N321 PolarHBondContact O-N 3.33Å
322	S	63	Low	85.2	Confident	51 Å²	51	75.6 Å²	75.6	36%	0.357	39%	0.387	S	S	.	.			trans	-106.2	126.6	-174.9	60.1	0	0	0	0	112.8	I318 P319 T320 C324	I318-S322 WeakPolarHBondContact CG2-OG 3.28Å; P319-S322 PolarHBondContact O-N 3.19Å; P319-S322 PolarHBondContact O-OG 3.27Å; T320-S322 VanDerWaalsContact C-N 3.27Å; T320-S322 PolarHBondContact O-N 2.95Å; S322-C324 PolarHBondContact O-N 3.38Å; S322-C324 PolarHBondContact OG-SG 3.22Å
323	T	67.6	Low	85.2	Confident	142 Å²	142	75.3 Å²	75.3	87%	0.871	39%	0.391	S	S	*	.			trans	-82.4	41.8	169.3	55.6	0	0	0	0	111.3
324	C	75.3	Confident	85.2	Confident	9 Å²	9	75.3 Å²	75.3	6%	0.061	39%	0.392	C	S	.	.			trans	-73.4	-40.8	-168	47.7	0	0	0	0	114	L294 L296 H297 S322	L294-C324 WeakPolarHBondContact O-CB 3.19Å; L296-C324 PolarHBondContact N-O 2.9Å; H297-C324 PolarHBondContact N-O 2.99Å; S322-C324 PolarHBondContact O-N 3.38Å; S322-C324 PolarHBondContact OG-SG 3.22Å
325	C	78	Confident	85.3	Confident	8 Å²	8	81.9 Å²	81.9	5%	0.054	42%	0.416	C	S	.	.	S	Bend	trans	-107.8	-5.1	-135.3	-67.1	0	0	0	0	115	L314 L339 V340	L314-C325 HydrophobicContact CD1-CB 3.82Å; L314-C325 HydrophobicContact CD2-CB 4.41Å; L314-C325 WeakPolarHBondContact CD2-SG 3.45Å; C325-L339 WeakPolarHBondContact O-CD1 3.44Å; C325-V340 HydrophobicContact CB-CG1 4.14Å
326	G	86.5	Confident	85.4	Confident	11 Å²	11	78.6 Å²	78.6	11%	0.113	42%	0.417	C	S	.	.			trans	80.1	-177.4	179.4	0	0	0	0	0	114.4	L339	G326-L339 PolarHBondContact O-N 3.06Å
327	R	94.1	Very high	85.5	Confident	135 Å²	135	78.6 Å²	78.6	51%	0.509	41%	0.412	S	S	.	.	B	Isolated β-bridge	trans	-134.1	150.3	-175.8	-66.1	175.4	-175.8	161	2.3	109.8	G336 R337 Y338	R327-G336 WeakPolarHBondContact CD-O 3.35Å; R327-R337 CarbonylContact C-O 3.6Å; R327-R337 WeakPolarHBondContact CA-O 3.1Å; R327-R337 WeakPolarHBondContact CB-O 3.38Å; R327-Y338 HydrophobicContact CG-CD1 3.76Å; R327-Y338 HydrophobicContact CG-CE1 3.95Å; R327-Y338 HydrophobicContact CG-CG 4.33Å; R327-Y338 VanDerWaalsContact NE-CE1 3.33Å; R327-Y338 PolarHBondContact NH2-OH 2.93Å
328	C	96.5	Very high	85.6	Confident	4 Å²	4	77.6 Å²	77.6	3%	0.027	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	134.1	173.8	-59.7	0	0	0	0	110.9	C303 M334 R335 G336 R337	C303-C328 HydrophobicContact CB-CB 3.81Å; C303-C328 WeakPolarHBondContact CB-SG 3.38Å; C303-C328 WeakPolarHBondContact SG-CA 3.47Å; C303-C328 WeakPolarHBondContact SG-CB 3.47Å; C303-C328 CovalentContact SG-SG 2.02Å; C303-C328 PolarHBondContact SG-SG 3.46Å; C328-M334 HydrophobicContact CB-CB 4.05Å; C328-M334 WeakPolarHBondContact CB-O 3.42Å; C328-R335 CarbonylContact O-C 3.47Å; C328-R335 WeakPolarHBondContact O-CA 3.32Å; C328-G336 PolarHBondContact O-N 2.96Å; C328-R337 PolarHBondContact N-O 3.34Å
329	H	97	Very high	85.9	Confident	98 Å²	98	77 Å²	77	45%	0.454	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	-35.3	173.3	-152	88.6	0	0	0	111.7	P300 W301 R335	P300-H329 HydrophobicContact CB-CB 4.26Å; W301-H329 PolarHBondContact O-N 3.34Å; H329-R335 WeakPolarHBondContact O-CG 3.32Å
330	A	96.3	Very high	86.4	Confident	37 Å²	37	75.2 Å²	75.2	31%	0.306	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	163.4	173.7	0	0	0	0	0	109.5	W301 N302 C303	W301-A330 PolarHBondContact O-N 2.9Å; W301-A330 VanDerWaalsContact O-N 3.15Å; N302-A330 CarbonylContact C-O 3.59Å; N302-A330 WeakPolarHBondContact CA-O 3.43Å; N302-A330 HydrophobicContact CB-CB 4.45Å; C303-A330 PolarHBondContact N-O 3.06Å
331	P	95.6	Very high	87.5	Confident	37 Å²	37	73.9 Å²	73.9	24%	0.24	38%	0.376	C	S	.	.	S	Bend	cis	-65.8	168	-18.2	30.2	-36.6	0	0	0	111.9	C303 H333 M334 R335	C303-P331 VanDerWaalsContact O-CD 3.32Å; C303-P331 WeakPolarHBondContact O-CD 3.24Å; P331-H333 WeakPolarHBondContact CG-CE1 3.26Å; P331-H333 PolarHBondContact O-N 2.9Å; P331-M334 HydrophobicContact CG-CB 4.47Å; P331-M334 HydrophobicContact CG-CG 4.33Å; P331-M334 PolarHBondContact O-N 3.37Å; P331-R335 PolarHBondContact O-N 2.9Å; P331-R335 VanDerWaalsContact O-N 3.17Å
332	M	94.4	Very high	88.8	Confident	147 Å²	147	66.3 Å²	66.3	72%	0.724	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-31.8	-173.1	-72.8	-67.4	164.1	0	0	114.4	M334 R335	M332-M334 VanDerWaalsContact C-N 3.31Å; M332-M334 PolarHBondContact O-N 3.47Å; M332-R335 PolarHBondContact O-N 2.84Å
333	H	93.1	Very high	90.1	Very high	124 Å²	124	67.6 Å²	67.6	57%	0.574	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-18.3	179.1	64.7	-95.1	0	0	0	114.1	P331	P331-H333 WeakPolarHBondContact CG-CE1 3.26Å; P331-H333 PolarHBondContact O-N 2.9Å
334	M	93.9	Very high	91.1	Very high	8 Å²	8	66.1 Å²	66.1	4%	0.039	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-11.9	174.9	-69.6	-61.5	176.2	0	0	112.9	C303 C328 P331 M332 G336 R337 A346 F347	C303-M334 HydrophobicContact CB-CB 4.09Å; C303-M334 HydrophobicContact CB-CG 4.31Å; C328-M334 HydrophobicContact CB-CB 4.05Å; C328-M334 WeakPolarHBondContact CB-O 3.42Å; P331-M334 HydrophobicContact CG-CB 4.47Å; P331-M334 HydrophobicContact CG-CG 4.33Å; P331-M334 PolarHBondContact O-N 3.37Å; M332-M334 VanDerWaalsContact C-N 3.31Å; M332-M334 PolarHBondContact O-N 3.47Å; M334-G336 PolarHBondContact O-N 3.24Å; M334-R337 WeakPolarHBondContact O-CB 3.22Å; M334-R337 WeakPolarHBondContact O-CG 3.38Å; M334-R337 PolarHBondContact O-N 3.31Å; M334-R337 VanDerWaalsContact O-N 3.09Å; M334-A346 HydrophobicContact CE-CB 3.7Å; M334-F347 HydrophobicContact CE-CE1 4.23Å; M334-F347 HydrophobicContact CE-CE2 3.71Å; M334-F347 HydrophobicContact CE-CZ 3.45Å; M334-F347 VanDerWaalsContact CE-CZ 3.45Å; M334-F347 HydrophobicContact CG-CZ 4.26Å; M334-F347 HydrophobicContact SD-CZ 4.38Å
335	R	95.3	Very high	91.7	Very high	139 Å²	139	70.2 Å²	70.2	53%	0.525	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	128.2	-172.8	-173.3	174.1	-176.8	177.4	3.6	112.1	C328 H329 P331 M332	C328-R335 CarbonylContact O-C 3.47Å; C328-R335 WeakPolarHBondContact O-CA 3.32Å; H329-R335 WeakPolarHBondContact O-CG 3.32Å; P331-R335 PolarHBondContact O-N 2.9Å; P331-R335 VanDerWaalsContact O-N 3.17Å; M332-R335 PolarHBondContact O-N 2.84Å
336	G	93	Very high	92.2	Very high	43 Å²	43	72.8 Å²	72.8	44%	0.443	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.1	-14.9	179	0	0	0	0	0	115.4	R327 C328 M334	R327-G336 WeakPolarHBondContact CD-O 3.35Å; C328-G336 PolarHBondContact O-N 2.96Å; M334-G336 PolarHBondContact O-N 3.24Å
337	R	92.8	Very high	92.4	Very high	127 Å²	127	74 Å²	74	48%	0.479	38%	0.38	S	S	.	.			trans	-68.3	147.9	173.9	-63.2	-172.9	-175.2	-156.4	0.8	111.1	R327 C328 M334	R327-R337 CarbonylContact C-O 3.6Å; R327-R337 WeakPolarHBondContact CA-O 3.1Å; R327-R337 WeakPolarHBondContact CB-O 3.38Å; C328-R337 PolarHBondContact N-O 3.34Å; M334-R337 WeakPolarHBondContact O-CB 3.22Å; M334-R337 WeakPolarHBondContact O-CG 3.38Å; M334-R337 PolarHBondContact O-N 3.31Å; M334-R337 VanDerWaalsContact O-N 3.09Å
338	Y	92.2	Very high	92.4	Very high	103 Å²	103	76.2 Å²	76.2	40%	0.404	40%	0.396	S	S	.	.	B	Isolated β-bridge	trans	-74.8	144.8	175.2	-66.7	-83.2	0	0	0	110.7	R327 V340 E341	R327-Y338 HydrophobicContact CG-CD1 3.76Å; R327-Y338 HydrophobicContact CG-CE1 3.95Å; R327-Y338 HydrophobicContact CG-CG 4.33Å; R327-Y338 VanDerWaalsContact NE-CE1 3.33Å; R327-Y338 PolarHBondContact NH2-OH 2.93Å; Y338-V340 PolarHBondContact O-N 3.33Å; Y338-E341 WeakPolarHBondContact O-CB 3.18Å; Y338-E341 PolarHBondContact O-N 2.98Å
339	L	92.6	Very high	92.3	Very high	0 Å²	0	77.1 Å²	77.1	0%	0	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-57.3	-36.4	178.9	-75.6	178	0	0	0	112.9	W301 C303 I307 L310 A311 L314 C325 G326 E341 V342	W301-L339 HydrophobicContact CB-CD1 4.47Å; W301-L339 HydrophobicContact CB-CD2 4.13Å; W301-L339 HydrophobicContact CD2-CD1 3.91Å; W301-L339 HydrophobicContact CG-CD1 3.73Å; W301-L339 HydrophobicContact CG-CD2 4.26Å; W301-L339 HydrophobicContact CG-CG 4.35Å; C303-L339 WeakPolarHBondContact SG-CD2 3.2Å; I307-L339 HydrophobicContact CD1-CD2 4.36Å; I307-L339 HydrophobicContact CG1-CD2 3.69Å; L310-L339 HydrophobicContact CD2-CD1 4.21Å; A311-L339 VanDerWaalsContact CB-O 3.29Å; A311-L339 WeakPolarHBondContact CB-O 3.01Å; L314-L339 HydrophobicContact CD1-CB 4.09Å; C325-L339 WeakPolarHBondContact O-CD1 3.44Å; G326-L339 PolarHBondContact O-N 3.06Å; L339-E341 PolarHBondContact O-N 3.16Å; L339-V342 WeakPolarHBondContact O-CB 3.45Å; L339-V342 PolarHBondContact O-N 3.14Å
340	V	88.8	Confident	92.2	Very high	53 Å²	53	76.9 Å²	76.9	32%	0.321	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-67.1	-17.7	178.6	-58	0	0	0	0	113.8	L314 R315 C325 Y338	L314-V340 HydrophobicContact CB-CG1 3.8Å; L314-V340 HydrophobicContact CD1-CG1 4.03Å; R315-V340 WeakPolarHBondContact CD-O 3.46Å; R315-V340 WeakPolarHBondContact CG-O 3.35Å; C325-V340 HydrophobicContact CB-CG1 4.14Å; Y338-V340 PolarHBondContact O-N 3.33Å
341	E	88.3	Confident	92.1	Very high	114 Å²	114	77.6 Å²	77.6	53%	0.533	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-95.7	-4.7	179.2	-62.9	172.2	173.1	0	0	112.3	Y338 L339 D343	Y338-E341 WeakPolarHBondContact O-CB 3.18Å; Y338-E341 PolarHBondContact O-N 2.98Å; L339-E341 PolarHBondContact O-N 3.16Å; E341-D343 PolarHBondContact O-N 3.05Å
342	V	91.5	Very high	92.1	Very high	3 Å²	3	75.9 Å²	75.9	2%	0.018	41%	0.407	C	S	.	.			trans	-73	117.1	178.5	-178.2	0	0	0	0	108.5	C303 I307 L308 A311 L339 F347	C303-V342 HydrophobicContact CB-CG2 4.4Å; I307-V342 HydrophobicContact CG2-CG1 4.06Å; L308-V342 HydrophobicContact CD2-CG1 4.41Å; A311-V342 HydrophobicContact CB-CB 4.03Å; A311-V342 WeakPolarHBondContact CB-O 3.15Å; L339-V342 WeakPolarHBondContact O-CB 3.45Å; L339-V342 PolarHBondContact O-N 3.14Å; V342-F347 HydrophobicContact CG1-CE2 3.56Å; V342-F347 HydrophobicContact CG1-CZ 3.99Å
343	D	89.3	Confident	92.1	Very high	77 Å²	77	76 Å²	76	41%	0.412	40%	0.403	S	S	.	.			trans	-112.2	145.9	-176.6	-166.8	33.9	0	0	0	112.7	R315 E341 A345 A346 F347	R315-D343 IonicContact NH1-OD1 3.75Å; R315-D343 PolarHBondContact NH1-OD1 2.82Å; R315-D343 IonicContact NH2-OD1 3.22Å; E341-D343 PolarHBondContact O-N 3.05Å; D343-A345 PolarHBondContact O-N 3.46Å; D343-A346 PolarHBondContact O-N 3.48Å; D343-F347 WeakPolarHBondContact O-CD2 3.48Å
344	Q	88.4	Confident	92.3	Very high	112 Å²	112	71.2 Å²	71.2	52%	0.523	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-63.3	-28.9	-177	-175.9	176.3	-5.5	0	0	112.3	L308 A346 F347	L308-Q344 HydrophobicContact CD1-CG 4.43Å; L308-Q344 HydrophobicContact CD2-CB 4.05Å; Q344-A346 PolarHBondContact O-N 2.85Å; Q344-F347 PolarHBondContact O-N 2.93Å
345	A	88.9	Confident	92.3	Very high	95 Å²	95	76.2 Å²	76.2	79%	0.785	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-58.4	-19.8	178.7	0	0	0	0	0	113.7	D343	D343-A345 PolarHBondContact O-N 3.46Å
346	A	87.6	Confident	92.4	Very high	61 Å²	61	71.2 Å²	71.2	50%	0.504	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-85.8	-5.2	178	0	0	0	0	0	114.3	M334 D343 Q344	M334-A346 HydrophobicContact CE-CB 3.7Å; D343-A346 PolarHBondContact O-N 3.48Å; Q344-A346 PolarHBondContact O-N 2.85Å
347	F	91.4	Very high	92.5	Very high	36 Å²	36	71.3 Å²	71.3	16%	0.158	39%	0.386	C	S	.	.			trans	-129.4	137.2	-170.6	-61.4	-89.6	0	0	0	113	C303 L308 M334 V342 D343 Q344	C303-F347 WeakPolarHBondContact O-CE1 3.36Å; C303-F347 VanDerWaalsContact O-CZ 3.25Å; C303-F347 WeakPolarHBondContact O-CZ 3.39Å; L308-F347 HydrophobicContact CD1-CB 4.15Å; L308-F347 HydrophobicContact CD1-CD2 4.43Å; L308-F347 HydrophobicContact CD1-CG 4.39Å; L308-F347 HydrophobicContact CD2-CD2 3.95Å; L308-F347 HydrophobicContact CD2-CE2 4.33Å; L308-F347 HydrophobicContact CG-CD2 4.48Å; M334-F347 HydrophobicContact CE-CE1 4.23Å; M334-F347 HydrophobicContact CE-CE2 3.71Å; M334-F347 HydrophobicContact CE-CZ 3.45Å; M334-F347 VanDerWaalsContact CE-CZ 3.45Å; M334-F347 HydrophobicContact CG-CZ 4.26Å; M334-F347 HydrophobicContact SD-CZ 4.38Å; V342-F347 HydrophobicContact CG1-CE2 3.56Å; V342-F347 HydrophobicContact CG1-CZ 3.99Å; D343-F347 WeakPolarHBondContact O-CD2 3.48Å; Q344-F347 PolarHBondContact O-N 2.93Å
348	Q	93.7	Very high	92.8	Very high	183 Å²	183	65.8 Å²	65.8	86%	0.855	37%	0.367	S	S	*	.			trans	-101.4	101	167.5	-176.6	63.7	51.5	0	0	109
349	C	94.7	Very high	93	Very high	23 Å²	23	69.8 Å²	69.8	16%	0.155	38%	0.382	C	S	.	.			trans	-100.1	158.5	-176.2	-56.4	0	0	0	0	112.5	C305 L308 A429	C305-C349 HydrophobicContact CB-CB 3.83Å; C305-C349 WeakPolarHBondContact CB-SG 3.37Å; C305-C349 WeakPolarHBondContact SG-CA 3.26Å; C305-C349 WeakPolarHBondContact SG-CB 3.35Å; C305-C349 CovalentContact SG-SG 2.04Å; C305-C349 PolarHBondContact SG-SG 3.07Å; L308-C349 WeakPolarHBondContact CD1-SG 3.01Å; C349-A429 HydrophobicContact CB-CB 3.86Å
350	S	94.3	Very high	93.2	Very high	93 Å²	93	75.7 Å²	75.7	65%	0.65	41%	0.413	S	S	*	.			trans	-119.7	145.3	178.9	-61.6	0	0	0	0	110.8	N427 A429	S350-N427 PolarHBondContact O-ND2 3.01Å; S350-A429 WeakPolarHBondContact O-CB 3.4Å
351	A	95.2	Very high	93.6	Very high	51 Å²	51	75.7 Å²	75.7	42%	0.421	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-56	153.2	170.7	0	0	0	0	0	110.7	F353	A351-F353 PolarHBondContact O-N 3.17Å
352	P	95.6	Very high	93.9	Very high	2 Å²	2	74.7 Å²	74.7	1%	0.013	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-69.6	124	-168.5	26.8	-30.2	0	0	0	111.3	V425 N427 G430 S432	P352-V425 HydrophobicContact CB-CB 4.39Å; P352-V425 HydrophobicContact CB-CG1 3.66Å; P352-V425 HydrophobicContact CG-CB 4.2Å; P352-V425 HydrophobicContact CG-CG1 3.93Å; P352-V425 WeakPolarHBondContact CG-O 3.47Å; P352-N427 HydrophobicContact CB-CB 4.4Å; P352-N427 WeakPolarHBondContact CD-OD1 3.16Å; P352-G430 WeakPolarHBondContact CD-O 3.22Å; P352-S432 WeakPolarHBondContact O-CB 3.37Å; P352-S432 PolarHBondContact O-OG 3.02Å
353	F	94.3	Very high	94.1	Very high	148 Å²	148	75 Å²	75	65%	0.649	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-84.9	122.1	-179.5	179.8	-115.7	0	0	0	111.8	A351 M355 P376	A351-F353 PolarHBondContact O-N 3.17Å; F353-M355 HydrophobicContact CD1-CB 4.46Å; F353-M355 HydrophobicContact CD1-CG 3.68Å; F353-M355 HydrophobicContact CE1-CB 4.28Å; F353-M355 HydrophobicContact CE1-CG 3.85Å; F353-M355 PolarHBondContact O-N 3.25Å; F353-P376 VanDerWaalsContact O-CD 3.27Å; F353-P376 WeakPolarHBondContact O-CD 3.3Å
354	I	96.1	Very high	94.3	Very high	24 Å²	24	71.7 Å²	71.7	12%	0.123	39%	0.394	C	S	.	.			trans	-82.8	100.7	173.6	-55.6	177	0	0	0	108.1	A357 T375 V425 A434	I354-A357 HydrophobicContact CG2-CB 4.14Å; I354-T375 HydrophobicContact CG1-CG2 4.17Å; I354-V425 HydrophobicContact CD1-CG2 4.04Å; I354-V425 HydrophobicContact CG1-CG2 4.02Å; I354-A434 HydrophobicContact CD1-CB 3.63Å; I354-A434 HydrophobicContact CG2-CB 4.47Å
355	M	95.3	Very high	94.5	Very high	114 Å²	114	69.5 Å²	69.5	56%	0.562	38%	0.383	S	S	*	.	S	Bend	trans	-69	-39.1	-175.3	-66.2	179.3	-83.2	0	0	112.9	F353 R374 T375	F353-M355 HydrophobicContact CD1-CB 4.46Å; F353-M355 HydrophobicContact CD1-CG 3.68Å; F353-M355 HydrophobicContact CE1-CB 4.28Å; F353-M355 HydrophobicContact CE1-CG 3.85Å; F353-M355 PolarHBondContact O-N 3.25Å; M355-R374 HydrophobicContact CB-CB 4.49Å; M355-R374 WeakPolarHBondContact CB-O 3.3Å; M355-R374 PolarHBondContact N-O 2.94Å; M355-T375 VanDerWaalsContact CE-C 3.46Å; M355-T375 WeakPolarHBondContact CE-O 3.44Å
356	D	95.5	Very high	94.6	Very high	33 Å²	33	70 Å²	70	18%	0.176	37%	0.373	C	S	.	.	B	Isolated β-bridge	trans	-130.8	99.1	175.6	-166.4	16.6	0	0	0	107.6	R359 K372 C373 R374	D356-R359 IonicContact OD1-NH2 3.87Å; D356-K372 VanDerWaalsContact OD2-CD 3.26Å; D356-K372 WeakPolarHBondContact OD2-CD 3.42Å; D356-C373 WeakPolarHBondContact O-CA 3.36Å; D356-R374 HydrophobicContact CB-CB 3.97Å; D356-R374 HydrophobicContact CB-CG 3.99Å; D356-R374 PolarHBondContact O-N 3.39Å
357	A	96.5	Very high	94.9	Very high	45 Å²	45	71.2 Å²	71.2	37%	0.372	37%	0.365	S	S	.	.			trans	-72.6	146.4	178.2	0	0	0	0	0	110.3	I354 K372 A434	I354-A357 HydrophobicContact CG2-CB 4.14Å; A357-K372 CarbonylContact C-O 3.34Å; A357-A434 HydrophobicContact CB-CB 4.03Å
358	P	97.7	Very high	95.1	Very high	11 Å²	11	73.7 Å²	73.7	7%	0.071	38%	0.378	C	S	.	.			trans	-61.6	144.6	178.3	28.4	-36.2	0	0	0	110.2	L371 K372 W383 A434 A436	P358-L371 HydrophobicContact CB-CB 4.18Å; P358-K372 WeakPolarHBondContact CA-O 3.36Å; P358-K372 VanDerWaalsContact CB-O 3.3Å; P358-K372 WeakPolarHBondContact CB-O 3.23Å; P358-K372 WeakPolarHBondContact CD-O 3.24Å; P358-W383 HydrophobicContact CB-CH2 3.8Å; P358-W383 HydrophobicContact CG-CH2 3.94Å; P358-W383 HydrophobicContact CG-CZ3 4.46Å; P358-A434 HydrophobicContact CG-CB 4.28Å; P358-A436 HydrophobicContact CB-CB 3.65Å; P358-A436 HydrophobicContact CG-CB 4.04Å
359	R	97.3	Very high	95.2	Very high	188 Å²	188	65.2 Å²	65.2	71%	0.709	34%	0.338	S	S	*	.			trans	-112.6	148.5	-178.2	-58.3	-178.5	-169.3	-170.9	1.4	109.7	D356 L361	D356-R359 IonicContact OD1-NH2 3.87Å; R359-L361 PolarHBondContact O-N 2.92Å
360	D	97.5	Very high	95.3	Very high	123 Å²	123	68.8 Å²	68.8	66%	0.658	35%	0.353	S	S	*	.			trans	-58.2	135.6	174	-59.1	-25.8	0	0	0	110.2	A436 Y437	D360-A436 WeakPolarHBondContact OD1-CA 3.27Å; D360-Y437 VanDerWaalsContact CA-O 3.28Å; D360-Y437 WeakPolarHBondContact CA-O 3.29Å; D360-Y437 PolarHBondContact OD1-N 3.11Å
361	L	96.1	Very high	95.5	Very high	53 Å²	53	64.4 Å²	64.4	28%	0.277	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	122.8	-173.7	-175	65.4	0	0	0	110.4	R359 I363 A369 L371 Y437 L438 N439	R359-L361 PolarHBondContact O-N 2.92Å; L361-I363 HydrophobicContact CG-CB 4.41Å; L361-A369 HydrophobicContact CD2-CB 3.9Å; L361-L371 HydrophobicContact CB-CD2 4.39Å; L361-Y437 PolarHBondContact N-O 3.32Å; L361-L438 HydrophobicContact CB-CD1 4Å; L361-L438 HydrophobicContact CD2-CD1 4.01Å; L361-L438 HydrophobicContact CG-CD1 4.22Å; L361-N439 PolarHBondContact O-N 2.87Å
362	N	95.4	Very high	95.6	Very high	94 Å²	94	66.7 Å²	66.7	50%	0.503	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	121.6	167.9	-65.1	-37.3	0	0	0	108.4	N439 L445	N362-N439 WeakPolarHBondContact CA-O 3.42Å; N362-N439 VanDerWaalsContact OD1-CB 3.23Å; N362-N439 WeakPolarHBondContact OD1-CB 3.49Å; N362-N439 PolarHBondContact OD1-ND2 2.82Å; N362-L445 HydrophobicContact CB-CD1 4.18Å
363	I	94.5	Very high	95.7	Very high	10 Å²	10	66.6 Å²	66.6	5%	0.051	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	149.1	-175.8	-163.6	171.1	0	0	0	111.8	L361 R367 M368 A369 V413 L438 N439 V440 S441	L361-I363 HydrophobicContact CG-CB 4.41Å; I363-R367 HydrophobicContact CD1-CB 3.61Å; I363-R367 HydrophobicContact CG1-CB 3.82Å; I363-M368 WeakPolarHBondContact CD1-O 3.19Å; I363-A369 HydrophobicContact CD1-CB 3.79Å; I363-V413 HydrophobicContact CD1-CG2 4.44Å; I363-V413 HydrophobicContact CG2-CB 4.46Å; I363-V413 HydrophobicContact CG2-CG1 4.38Å; I363-V413 HydrophobicContact CG2-CG2 3.81Å; I363-L438 HydrophobicContact CG2-CD1 3.91Å; I363-N439 PolarHBondContact N-O 2.85Å; I363-V440 HydrophobicContact CG2-CG2 4.14Å; I363-V440 WeakPolarHBondContact O-CA 3.4Å; I363-S441 PolarHBondContact O-N 2.8Å
364	S	93.9	Very high	95.8	Very high	7 Å²	7	66.3 Å²	66.3	5%	0.049	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	148.2	171.2	-62	0	0	0	0	111.4	R367 V413 S441 A443 L445	S364-R367 PolarHBondContact O-N 2.72Å; S364-V413 VanDerWaalsContact O-CG2 3.26Å; S364-V413 WeakPolarHBondContact O-CG2 3.35Å; S364-S441 VanDerWaalsContact CA-O 3.3Å; S364-S441 WeakPolarHBondContact CA-O 3.35Å; S364-A443 PolarHBondContact OG-O 2.96Å; S364-L445 PolarHBondContact OG-N 2.9Å
365	E	93.1	Very high	95.7	Very high	65 Å²	65	65.6 Å²	65.6	30%	0.304	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	150.4	170.3	-172.5	164.7	-140.3	0	0	112	R367 L415 V440 S441	E365-R367 PolarHBondContact O-N 3.02Å; E365-R367 VanDerWaalsContact O-N 3.14Å; E365-L415 PolarHBondContact OE1-N 2.93Å; E365-V440 HydrophobicContact CB-CG1 4.16Å; E365-S441 PolarHBondContact N-O 2.79Å
366	D	92.1	Very high	95.7	Very high	107 Å²	107	62 Å²	62	57%	0.572	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.3	6.5	-179.2	-70.7	-40.6	0	0	0	116.7	V413	D366-V413 PolarHBondContact N-O 2.93Å
367	R	93.4	Very high	95.6	Very high	86 Å²	86	64.9 Å²	64.9	33%	0.325	32%	0.319	S	S	.	.			trans	-85.6	158.5	170.8	-64	-167.8	176	166.1	7.6	112.6	I363 S364 E365 R412 V413 L445 T447	I363-R367 HydrophobicContact CD1-CB 3.61Å; I363-R367 HydrophobicContact CG1-CB 3.82Å; S364-R367 PolarHBondContact O-N 2.72Å; E365-R367 PolarHBondContact O-N 3.02Å; E365-R367 VanDerWaalsContact O-N 3.14Å; R367-R412 WeakPolarHBondContact O-CA 3.18Å; R367-V413 WeakPolarHBondContact O-CG2 3.46Å; R367-V413 PolarHBondContact O-N 2.93Å; R367-L445 PolarHBondContact NH1-O 2.76Å; R367-T447 PolarHBondContact NH1-OG1 2.83Å
368	M	95.5	Very high	95.6	Very high	88 Å²	88	63.8 Å²	63.8	43%	0.433	31%	0.307	S	S	.	.			trans	-76.2	139.3	168.6	-64	178.8	75.3	0	0	109.9	I363 F410 S411 F452	I363-M368 WeakPolarHBondContact CD1-O 3.19Å; M368-F410 WeakPolarHBondContact CA-O 3.26Å; M368-S411 WeakPolarHBondContact CG-O 3.34Å; M368-F452 HydrophobicContact CB-CE2 4.38Å; M368-F452 HydrophobicContact CB-CZ 4.07Å; M368-F452 HydrophobicContact SD-CD1 4.32Å; M368-F452 HydrophobicContact SD-CE1 4.13Å; M368-F452 HydrophobicContact SD-CZ 4.28Å
369	A	95.8	Very high	95.6	Very high	4 Å²	4	63.3 Å²	63.3	3%	0.033	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	150.2	178.1	0	0	0	0	0	111.2	L361 I363 F410 V413	L361-A369 HydrophobicContact CD2-CB 3.9Å; I363-A369 HydrophobicContact CD1-CB 3.79Å; A369-F410 HydrophobicContact CB-CB 4.16Å; A369-F410 HydrophobicContact CB-CD2 4.15Å; A369-F410 HydrophobicContact CB-CG 4.36Å; A369-F410 PolarHBondContact N-O 3.32Å; A369-F410 PolarHBondContact O-N 3.42Å; A369-V413 HydrophobicContact CB-CG1 3.44Å; A369-V413 VanDerWaalsContact CB-CG1 3.44Å
370	E	96.7	Very high	95.6	Very high	98 Å²	98	54.6 Å²	54.6	46%	0.458	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	131	174.8	-67.7	-177.4	166.6	0	0	110.2	T407 L408	E370-T407 HydrophobicContact CB-CG2 4.04Å; E370-T407 HydrophobicContact CG-CG2 4.44Å; E370-L408 CarbonylContact C-O 3.53Å; E370-L408 WeakPolarHBondContact CA-O 3.21Å
371	L	97.8	Very high	95.6	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.01	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	104	168.3	-59.5	177.2	0	0	0	108.4	P358 L361 W383 T407 L408 F410 Y421	P358-L371 HydrophobicContact CB-CB 4.18Å; L361-L371 HydrophobicContact CB-CD2 4.39Å; L371-W383 HydrophobicContact CB-CH2 3.63Å; L371-W383 HydrophobicContact CB-CZ2 4.25Å; L371-W383 HydrophobicContact CB-CZ3 4.28Å; L371-W383 HydrophobicContact CD1-CH2 4.4Å; L371-W383 HydrophobicContact CD1-CZ3 4.23Å; L371-W383 WeakPolarHBondContact O-CZ2 3.25Å; L371-T407 WeakPolarHBondContact O-CA 3.48Å; L371-L408 HydrophobicContact CB-CB 4.27Å; L371-L408 HydrophobicContact CD1-CD2 4.36Å; L371-L408 PolarHBondContact N-O 3.49Å; L371-L408 PolarHBondContact O-N 3.05Å; L371-F410 HydrophobicContact CD1-CE2 4.39Å; L371-F410 HydrophobicContact CG-CE2 4.49Å; L371-Y421 HydrophobicContact CD1-CD1 4.42Å; L371-Y421 HydrophobicContact CD1-CD2 4.06Å; L371-Y421 HydrophobicContact CD1-CG 3.82Å
372	K	97.5	Very high	95.7	Very high	98 Å²	98	50.6 Å²	50.6	43%	0.426	25%	0.246	S	C	.	.			trans	-67.3	139.4	-177.1	-63.9	-173.3	178.6	-178.4	0	111.4	D356 A357 P358 T407	D356-K372 VanDerWaalsContact OD2-CD 3.26Å; D356-K372 WeakPolarHBondContact OD2-CD 3.42Å; A357-K372 CarbonylContact C-O 3.34Å; P358-K372 WeakPolarHBondContact CA-O 3.36Å; P358-K372 VanDerWaalsContact CB-O 3.3Å; P358-K372 WeakPolarHBondContact CB-O 3.23Å; P358-K372 WeakPolarHBondContact CD-O 3.24Å; K372-T407 HydrophobicContact CG-CG2 4.4Å
373	C	97.2	Very high	95.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.222	C	C	.	.			trans	-146.5	70.7	169.8	-169.4	0	0	0	0	110.3	D356 T375 W383 C423	D356-C373 WeakPolarHBondContact O-CA 3.36Å; C373-T375 PolarHBondContact O-N 2.95Å; C373-W383 HydrophobicContact CB-CH2 4.41Å; C373-W383 HydrophobicContact CB-CZ2 3.61Å; C373-C423 HydrophobicContact CB-CB 3.76Å; C373-C423 WeakPolarHBondContact CB-SG 3.35Å; C373-C423 WeakPolarHBondContact SG-CB 3.44Å; C373-C423 CovalentContact SG-SG 2.03Å; C373-C423 PolarHBondContact SG-SG 3.22Å
374	R	96.2	Very high	96	Very high	142 Å²	142	48.3 Å²	48.3	54%	0.536	23%	0.234	S	C	.	.	B	Isolated β-bridge	trans	-77.4	121	-174.8	-58.8	-176.8	104	-173.3	4.5	110.2	M355 D356	M355-R374 HydrophobicContact CB-CB 4.49Å; M355-R374 WeakPolarHBondContact CB-O 3.3Å; M355-R374 PolarHBondContact N-O 2.94Å; D356-R374 HydrophobicContact CB-CB 3.97Å; D356-R374 HydrophobicContact CB-CG 3.99Å; D356-R374 PolarHBondContact O-N 3.39Å
375	T	95.1	Very high	96.2	Very high	9 Å²	9	48.3 Å²	48.3	6%	0.055	23%	0.233	C	C	.	.			trans	-135.2	167.6	-174.2	56.4	0	0	0	0	110.6	R258 I354 M355 C373 V381 V425	R258-T375 PolarHBondContact NH2-OG1 2.87Å; I354-T375 HydrophobicContact CG1-CG2 4.17Å; M355-T375 VanDerWaalsContact CE-C 3.46Å; M355-T375 WeakPolarHBondContact CE-O 3.44Å; C373-T375 PolarHBondContact O-N 2.95Å; T375-V381 HydrophobicContact CG2-CG2 4.42Å; T375-V381 WeakPolarHBondContact OG1-CG2 3.45Å; T375-V425 HydrophobicContact CG2-CB 4.28Å; T375-V425 HydrophobicContact CG2-CG1 3.78Å; T375-V425 HydrophobicContact CG2-CG2 3.56Å
376	P	94.4	Very high	96.3	Very high	40 Å²	40	48.3 Å²	48.3	26%	0.26	24%	0.239	S	C	.	.			trans	-52.5	135	171.1	-26.9	34.4	0	0	0	111.1	R258 F353 M378 S379	R258-P376 PolarHBondContact NH2-O 3.05Å; F353-P376 VanDerWaalsContact O-CD 3.27Å; F353-P376 WeakPolarHBondContact O-CD 3.3Å; P376-M378 PolarHBondContact O-N 2.91Å; P376-M378 VanDerWaalsContact O-N 3.14Å; P376-S379 WeakPolarHBondContact O-CB 3.39Å; P376-S379 PolarHBondContact O-N 3.13Å
377	P	94.6	Very high	96.5	Very high	92 Å²	92	48.6 Å²	48.6	60%	0.597	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-34.6	-167.6	22	-33.3	0	0	0	113	R258	R258-P377 PolarHBondContact NE-O 2.83Å; R258-P377 PolarHBondContact NH2-O 2.78Å
378	M	95.7	Very high	96.6	Very high	22 Å²	22	47 Å²	47	11%	0.108	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-10.4	-177.6	-46.5	-45.9	-64.7	0	0	113.8	S279 L280 P281 H282 D306 P376	S279-M378 VanDerWaalsContact C-CE 3.44Å; L280-M378 VanDerWaalsContact CA-CE 3.45Å; L280-M378 VanDerWaalsContact N-CE 3.28Å; L280-M378 WeakPolarHBondContact O-CE 3.47Å; P281-M378 HydrophobicContact CG-CE 4.26Å; P281-M378 VanDerWaalsContact N-CE 3.31Å; H282-M378 WeakPolarHBondContact CB-O 3.3Å; H282-M378 PolarHBondContact N-O 3.25Å; D306-M378 HydrophobicContact CB-CB 3.94Å; D306-M378 HydrophobicContact CB-CG 4.09Å; D306-M378 VanDerWaalsContact OD2-CG 3.3Å; D306-M378 WeakPolarHBondContact OD2-CG 3.33Å; P376-M378 PolarHBondContact O-N 2.91Å; P376-M378 VanDerWaalsContact O-N 3.14Å
379	S	96.9	Very high	96.7	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.007	25%	0.248	C	C	.	.	S	Bend	trans	-70.6	145.1	174.7	-60.9	0	0	0	0	110.8	R258 P376	R258-S379 PolarHBondContact NE-O 3.42Å; R258-S379 PolarHBondContact NH2-O 2.94Å; P376-S379 WeakPolarHBondContact O-CB 3.39Å; P376-S379 PolarHBondContact O-N 3.13Å
380	S	97.5	Very high	96.8	Very high	5 Å²	5	49.1 Å²	49.1	4%	0.035	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	137.3	174	-172.3	0	0	0	0	109.4	V425 T426	S380-V425 VanDerWaalsContact O-CA 3.3Å; S380-V425 WeakPolarHBondContact O-CA 3.3Å; S380-T426 WeakPolarHBondContact CB-OG1 3.23Å; S380-T426 PolarHBondContact N-O 3.05Å; S380-T426 PolarHBondContact O-N 2.95Å
381	V	97.8	Very high	96.8	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.012	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	127.1	179.7	179.4	0	0	0	0	109.3	R258 T375 V425	R258-V381 VanDerWaalsContact CZ-CG2 3.43Å; T375-V381 HydrophobicContact CG2-CG2 4.42Å; T375-V381 WeakPolarHBondContact OG1-CG2 3.45Å; V381-V425 HydrophobicContact CG2-CG1 4.21Å; V381-V425 HydrophobicContact CG2-CG2 4.32Å
382	K	97.9	Very high	96.8	Very high	91 Å²	91	45.8 Å²	45.8	40%	0.396	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	149.6	173.6	-67.2	-179	-179	176.8	0	109.6	V390 L391 M424	K382-V390 HydrophobicContact CB-CG1 3.87Å; K382-V390 HydrophobicContact CD-CG1 4.06Å; K382-V390 HydrophobicContact CG-CG1 4.34Å; K382-L391 CarbonylContact C-O 3.58Å; K382-L391 WeakPolarHBondContact CA-O 3.3Å; K382-M424 HydrophobicContact CB-CE 4.1Å; K382-M424 PolarHBondContact N-O 3.25Å; K382-M424 PolarHBondContact O-N 2.72Å
383	W	98.4	Very high	96.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	127.1	176.2	-81.8	89.7	0	0	0	110.4	P358 L371 C373 L385 V390 L391 V402 G406 L408 T422 C423	P358-W383 HydrophobicContact CB-CH2 3.8Å; P358-W383 HydrophobicContact CG-CH2 3.94Å; P358-W383 HydrophobicContact CG-CZ3 4.46Å; L371-W383 HydrophobicContact CB-CH2 3.63Å; L371-W383 HydrophobicContact CB-CZ2 4.25Å; L371-W383 HydrophobicContact CB-CZ3 4.28Å; L371-W383 HydrophobicContact CD1-CH2 4.4Å; L371-W383 HydrophobicContact CD1-CZ3 4.23Å; L371-W383 WeakPolarHBondContact O-CZ2 3.25Å; C373-W383 HydrophobicContact CB-CH2 4.41Å; C373-W383 HydrophobicContact CB-CZ2 3.61Å; W383-L385 HydrophobicContact CB-CD1 4.35Å; W383-V390 CarbonylContact O-C 3.29Å; W383-V390 VanDerWaalsContact O-CA 3.26Å; W383-V390 WeakPolarHBondContact O-CA 3.16Å; W383-L391 PolarHBondContact N-O 3.24Å; W383-L391 PolarHBondContact O-N 3.27Å; W383-V402 HydrophobicContact CB-CG2 4.35Å; W383-V402 HydrophobicContact CG-CG2 4.28Å; W383-G406 PolarHBondContact NE1-O 2.84Å; W383-L408 HydrophobicContact CB-CD1 4.08Å; W383-L408 HydrophobicContact CD2-CB 3.84Å; W383-L408 HydrophobicContact CD2-CD1 4.29Å; W383-L408 HydrophobicContact CD2-CD2 4Å; W383-L408 HydrophobicContact CD2-CG 4.28Å; W383-L408 HydrophobicContact CE3-CB 4.32Å; W383-L408 HydrophobicContact CE3-CD2 3.9Å; W383-L408 HydrophobicContact CG-CB 4.22Å; W383-L408 HydrophobicContact CG-CD1 3.87Å; W383-L408 HydrophobicContact CG-CD2 4.32Å; W383-L408 HydrophobicContact CG-CG 4.39Å; W383-L408 HydrophobicContact CH2-CB 4.23Å; W383-L408 HydrophobicContact CZ2-CB 3.76Å; W383-L408 HydrophobicContact CZ3-CD2 4.35Å; W383-T422 WeakPolarHBondContact CA-O 2.99Å; W383-C423 HydrophobicContact CD2-CB 4.14Å; W383-C423 HydrophobicContact CE3-CB 4.18Å; W383-C423 HydrophobicContact CH2-CB 3.85Å; W383-C423 HydrophobicContact CZ2-CB 3.77Å; W383-C423 HydrophobicContact CZ3-CB 4.03Å
384	L	98.4	Very high	96.6	Very high	55 Å²	55	44 Å²	44	29%	0.288	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	121.1	168.1	179.9	66.7	0	0	0	108.7	V390 T422 M424	L384-V390 HydrophobicContact CD1-CG2 3.9Å; L384-T422 PolarHBondContact N-O 3.08Å; L384-T422 PolarHBondContact O-N 3.42Å; L384-M424 HydrophobicContact CB-CE 3.88Å; L384-M424 HydrophobicContact CB-SD 4.27Å
385	L	97.5	Very high	96.6	Very high	8 Å²	8	39 Å²	39	4%	0.042	24%	0.238	C	C	.	.			trans	-85.9	159.8	178.6	-79.2	65	0	0	0	110.2	W383 N387 G388 T389 L391 I400 Y421	W383-L385 HydrophobicContact CB-CD1 4.35Å; L385-N387 VanDerWaalsContact CB-OD1 3.24Å; L385-N387 WeakPolarHBondContact CB-OD1 3.32Å; L385-N387 PolarHBondContact O-N 3.06Å; L385-G388 PolarHBondContact O-N 2.92Å; L385-T389 WeakPolarHBondContact CD2-OG1 3.44Å; L385-T389 PolarHBondContact N-O 3.02Å; L385-L391 HydrophobicContact CD1-CB 4.17Å; L385-L391 HydrophobicContact CD1-CD1 3.76Å; L385-L391 HydrophobicContact CD1-CG 3.61Å; L385-L391 HydrophobicContact CD2-CD1 3.86Å; L385-L391 HydrophobicContact CD2-CG 4.24Å; L385-L391 HydrophobicContact CG-CD1 4.45Å; L385-I400 HydrophobicContact CD2-CD1 4.09Å; L385-Y421 HydrophobicContact CB-CE1 4.38Å; L385-Y421 HydrophobicContact CG-CD1 4.2Å; L385-Y421 HydrophobicContact CG-CE1 3.86Å
386	P	96.5	Very high	96.4	Very high	64 Å²	64	45.4 Å²	45.4	42%	0.416	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-26.4	178.6	-24.2	30.3	0	0	0	114.4	G388 V420 Y421	P386-G388 VanDerWaalsContact C-N 3.3Å; P386-V420 WeakPolarHBondContact CG-O 3.38Å; P386-Y421 VanDerWaalsContact CD-CZ 3.46Å; P386-Y421 HydrophobicContact CG-CD2 3.95Å; P386-Y421 HydrophobicContact CG-CE1 4.3Å; P386-Y421 HydrophobicContact CG-CE2 3.56Å; P386-Y421 HydrophobicContact CG-CG 4.45Å
387	N	95	Very high	96.4	Very high	114 Å²	114	46.6 Å²	46.6	61%	0.61	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	1	178.4	67.9	-0.2	0	0	0	114.1	L385 T389	L385-N387 VanDerWaalsContact CB-OD1 3.24Å; L385-N387 WeakPolarHBondContact CB-OD1 3.32Å; L385-N387 PolarHBondContact O-N 3.06Å; N387-T389 PolarHBondContact ND2-OG1 3.11Å; N387-T389 WeakPolarHBondContact OD1-CB 3.37Å; N387-T389 WeakPolarHBondContact OD1-CG2 3.36Å; N387-T389 PolarHBondContact OD1-N 3.24Å; N387-T389 PolarHBondContact OD1-OG1 3Å
388	G	95.9	Very high	96.4	Very high	52 Å²	52	48 Å²	48	54%	0.536	27%	0.272	S	S	.	.	S	Bend	trans	86.4	-4.4	-177.8	0	0	0	0	0	115.2	L385 P386	L385-G388 PolarHBondContact O-N 2.92Å; P386-G388 VanDerWaalsContact C-N 3.3Å
389	T	97.2	Very high	96.4	Very high	63 Å²	63	48.7 Å²	48.7	39%	0.387	27%	0.274	S	S	.	.			trans	-72.9	143.2	175.6	61.5	0	0	0	0	111	L385 N387	L385-T389 WeakPolarHBondContact CD2-OG1 3.44Å; L385-T389 PolarHBondContact N-O 3.02Å; N387-T389 PolarHBondContact ND2-OG1 3.11Å; N387-T389 WeakPolarHBondContact OD1-CB 3.37Å; N387-T389 WeakPolarHBondContact OD1-CG2 3.36Å; N387-T389 PolarHBondContact OD1-N 3.24Å; N387-T389 PolarHBondContact OD1-OG1 3Å
390	V	97.6	Very high	96.4	Very high	74 Å²	74	48.8 Å²	48.8	45%	0.448	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	123.6	178.3	-179.4	0	0	0	0	109.3	K382 W383 L384 M424	K382-V390 HydrophobicContact CB-CG1 3.87Å; K382-V390 HydrophobicContact CD-CG1 4.06Å; K382-V390 HydrophobicContact CG-CG1 4.34Å; W383-V390 CarbonylContact O-C 3.29Å; W383-V390 VanDerWaalsContact O-CA 3.26Å; W383-V390 WeakPolarHBondContact O-CA 3.16Å; L384-V390 HydrophobicContact CD1-CG2 3.9Å; V390-M424 HydrophobicContact CG1-CE 4.07Å; V390-M424 HydrophobicContact CG2-CE 4.28Å
391	L	97.6	Very high	96.4	Very high	15 Å²	15	50.7 Å²	50.7	8%	0.079	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	143.3	174.6	-59.7	-176.2	0	0	0	111	K382 W383 L385 H397 I400 V402	K382-L391 CarbonylContact C-O 3.58Å; K382-L391 WeakPolarHBondContact CA-O 3.3Å; W383-L391 PolarHBondContact N-O 3.24Å; W383-L391 PolarHBondContact O-N 3.27Å; L385-L391 HydrophobicContact CD1-CB 4.17Å; L385-L391 HydrophobicContact CD1-CD1 3.76Å; L385-L391 HydrophobicContact CD1-CG 3.61Å; L385-L391 HydrophobicContact CD2-CD1 3.86Å; L385-L391 HydrophobicContact CD2-CG 4.24Å; L385-L391 HydrophobicContact CG-CD1 4.45Å; L391-H397 HydrophobicContact CD1-CB 4.2Å; L391-H397 HydrophobicContact CD2-CB 4.26Å; L391-I400 HydrophobicContact CD1-CB 4.14Å; L391-I400 HydrophobicContact CD1-CG2 3.82Å; L391-V402 HydrophobicContact CB-CG2 3.95Å
392	S	97.1	Very high	96.4	Very high	15 Å²	15	50.9 Å²	50.9	11%	0.105	29%	0.289	C	S	.	.			trans	-121.3	175.5	170.6	70.1	0	0	0	0	109.9	A394 S395	S392-A394 PolarHBondContact O-N 3.48Å; S392-A394 PolarHBondContact OG-N 3.34Å; S392-S395 PolarHBondContact N-OG 3.32Å; S392-S395 VanDerWaalsContact O-CB 3.27Å; S392-S395 WeakPolarHBondContact O-CB 3.19Å; S392-S395 PolarHBondContact O-N 3.42Å; S392-S395 PolarHBondContact O-OG 2.93Å; S392-S395 PolarHBondContact OG-OG 3.47Å
393	H	96.6	Very high	96.4	Very high	35 Å²	35	49.3 Å²	49.3	16%	0.162	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-27.6	176.4	-173.3	37.5	0	0	0	113.2	P234 E257 R258 S395 V402	P234-H393 WeakPolarHBondContact CG-CD2 3.4Å; E257-H393 IonicContact OE1-NE2 3.3Å; E257-H393 IonicContact OE2-CD2 3.44Å; E257-H393 IonicContact OE2-NE2 3.37Å; E257-H393 PolarHBondContact OE2-NE2 3.35Å; R258-H393 HydrophobicContact CB-CB 4.2Å; R258-H393 PolarHBondContact O-CD2 2.94Å; R258-H393 VanDerWaalsContact O-CD2 3.25Å; H393-S395 VanDerWaalsContact C-N 3.33Å; H393-V402 PolarHBondContact ND1-O 2.91Å
394	A	95.2	Very high	96.3	Very high	24 Å²	24	51.3 Å²	51.3	20%	0.198	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-7.8	176.2	0	0	0	0	0	114.7	P234 N259 D262 S392	P234-A394 HydrophobicContact CB-CB 3.82Å; P234-A394 HydrophobicContact CG-CB 4.38Å; N259-A394 HydrophobicContact CB-CB 3.63Å; N259-A394 WeakPolarHBondContact O-CB 3.34Å; D262-A394 HydrophobicContact CB-CB 4.08Å; S392-A394 PolarHBondContact O-N 3.48Å; S392-A394 PolarHBondContact OG-N 3.34Å
395	S	95.5	Very high	96.1	Very high	38 Å²	38	51.9 Å²	51.9	27%	0.266	30%	0.299	S	S	.	.			trans	-72.4	137.1	-174.1	-63	0	0	0	0	112.3	S392 H393	S392-S395 PolarHBondContact N-OG 3.32Å; S392-S395 VanDerWaalsContact O-CB 3.27Å; S392-S395 WeakPolarHBondContact O-CB 3.19Å; S392-S395 PolarHBondContact O-N 3.42Å; S392-S395 PolarHBondContact O-OG 2.93Å; S392-S395 PolarHBondContact OG-OG 3.47Å; H393-S395 VanDerWaalsContact C-N 3.33Å
396	R	91.2	Very high	96	Very high	143 Å²	143	51.5 Å²	51.5	54%	0.54	30%	0.297	S	S	.	.			trans	-106	54.6	-175.7	-64	175.6	-173.9	-92.9	-15.6	112.3	H238	H238-R396 PolarHBondContact CD2-NE 3.11Å; H238-R396 VanDerWaalsContact CD2-NE 3.26Å; H238-R396 PolarHBondContact CD2-NH1 3.44Å; H238-R396 PolarHBondContact CD2-NH2 3.1Å; H238-R396 PolarHBondContact CE1-NH1 3.37Å; H238-R396 PolarHBondContact ND1-NH1 3.01Å; H238-R396 PolarHBondContact NE2-NE 2.69Å; H238-R396 PolarHBondContact NE2-NH1 3.41Å
397	H	94.6	Very high	96.1	Very high	66 Å²	66	48.7 Å²	48.7	31%	0.306	28%	0.278	S	S	.	.			trans	-77.6	133.5	174.9	-178.6	-81.4	0	0	0	109.2	L391 R399 I400	L391-H397 HydrophobicContact CD1-CB 4.2Å; L391-H397 HydrophobicContact CD2-CB 4.26Å; H397-R399 PolarHBondContact ND1-N 2.95Å; H397-R399 PolarHBondContact O-N 3.2Å; H397-I400 VanDerWaalsContact CB-O 3.3Å; H397-I400 WeakPolarHBondContact CB-O 3.23Å; H397-I400 WeakPolarHBondContact ND1-CB 3.43Å; H397-I400 WeakPolarHBondContact ND1-CG1 3.34Å; H397-I400 PolarHBondContact ND1-N 3.06Å
398	P	94.6	Very high	96.2	Very high	120 Å²	120	43.3 Å²	43.3	78%	0.779	25%	0.249	S	C	*	.	S	Bend	trans	-64.1	-19.3	-168.8	23.4	-35.5	0	0	0	114.6
399	R	95.9	Very high	96.3	Very high	38 Å²	38	42.2 Å²	42.2	14%	0.143	23%	0.231	C	C	.	.	S	Bend	trans	-124	-22.8	-178.9	-63.2	-172.7	-57.5	104	0.4	115.8	H397 S411 R412 D417	H397-R399 PolarHBondContact ND1-N 2.95Å; H397-R399 PolarHBondContact O-N 3.2Å; R399-S411 VanDerWaalsContact CA-OG 3.29Å; R399-S411 WeakPolarHBondContact CA-OG 3.47Å; R399-S411 PolarHBondContact O-N 3.34Å; R399-S411 PolarHBondContact O-OG 2.87Å; R399-R412 PolarHBondContact NH1-O 2.83Å; R399-D417 IonicContact CZ-OD1 3.95Å; R399-D417 IonicContact CZ-OD2 3.33Å; R399-D417 IonicContact NH1-OD1 3.98Å; R399-D417 IonicContact NH1-OD2 2.61Å; R399-D417 PolarHBondContact NH1-OD2 3.34Å; R399-D417 IonicContact NH2-OD1 2.82Å; R399-D417 PolarHBondContact NH2-OD1 2.72Å; R399-D417 IonicContact NH2-OD2 3.85Å; R399-D417 PolarHBondContact NH2-OD2 3.41Å
400	I	97.2	Very high	96.3	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	127.3	-166.9	-54	173.5	0	0	0	106.1	L385 L391 H397 L408 N409 F410	L385-I400 HydrophobicContact CD2-CD1 4.09Å; L391-I400 HydrophobicContact CD1-CB 4.14Å; L391-I400 HydrophobicContact CD1-CG2 3.82Å; H397-I400 VanDerWaalsContact CB-O 3.3Å; H397-I400 WeakPolarHBondContact CB-O 3.23Å; H397-I400 WeakPolarHBondContact ND1-CB 3.43Å; H397-I400 WeakPolarHBondContact ND1-CG1 3.34Å; H397-I400 PolarHBondContact ND1-N 3.06Å; I400-L408 HydrophobicContact CG2-CD1 3.57Å; I400-L408 HydrophobicContact CG2-CD2 4.26Å; I400-L408 HydrophobicContact CG2-CG 3.87Å; I400-N409 CarbonylContact C-O 3.52Å; I400-N409 VanDerWaalsContact CA-O 3.32Å; I400-N409 WeakPolarHBondContact CA-O 3.4Å; I400-F410 HydrophobicContact CD1-CD1 4.03Å; I400-F410 HydrophobicContact CD1-CE1 3.58Å; I400-F410 HydrophobicContact CD1-CZ 4.4Å; I400-F410 HydrophobicContact CG1-CD1 3.66Å; I400-F410 HydrophobicContact CG1-CE1 3.71Å; I400-F410 HydrophobicContact CG1-CG 4.49Å; I400-F410 HydrophobicContact CG2-CD1 4.45Å; I400-F410 HydrophobicContact CG2-CE1 4.2Å; I400-F410 HydrophobicContact CG2-CZ 4.27Å
401	S	97.3	Very high	96.2	Very high	46 Å²	46	38.8 Å²	38.8	32%	0.322	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	145.2	179.3	57.2	0	0	0	0	110.4	N409	S401-N409 PolarHBondContact N-O 2.95Å; S401-N409 PolarHBondContact O-N 2.94Å
402	V	97.6	Very high	96.1	Very high	5 Å²	5	44.4 Å²	44.4	3%	0.03	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	123.9	169.8	-177.2	0	0	0	0	106.6	W383 L391 H393 L408	W383-V402 HydrophobicContact CB-CG2 4.35Å; W383-V402 HydrophobicContact CG-CG2 4.28Å; L391-V402 HydrophobicContact CB-CG2 3.95Å; H393-V402 PolarHBondContact ND1-O 2.91Å; V402-L408 HydrophobicContact CG2-CD1 3.74Å
403	L	96.8	Very high	96	Very high	59 Å²	59	43.7 Å²	43.7	31%	0.309	23%	0.228	S	C	.	.			trans	-79.1	159.4	174.9	-59.3	-179.5	0	0	0	110.4	D405 G406 T407 N409	L403-D405 WeakPolarHBondContact CB-OD1 3.32Å; L403-D405 PolarHBondContact O-N 2.97Å; L403-G406 WeakPolarHBondContact O-CA 3.22Å; L403-G406 PolarHBondContact O-N 3.45Å; L403-T407 HydrophobicContact CD1-CG2 4.35Å; L403-T407 PolarHBondContact N-O 3.09Å; L403-N409 HydrophobicContact CD1-CB 4.19Å; L403-N409 HydrophobicContact CD2-CB 4.33Å; L403-N409 HydrophobicContact CG-CB 4.08Å
404	N	96	Very high	96	Very high	41 Å²	41	44.2 Å²	44.2	22%	0.219	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-29.4	-177.5	-174.4	30.8	0	0	0	112.8	E257 R258 G406	E257-N404 HydrophobicContact CG-CB 4.44Å; E257-N404 VanDerWaalsContact CG-ND2 3.32Å; E257-N404 WeakPolarHBondContact CG-ND2 3.45Å; E257-N404 WeakPolarHBondContact OE1-CB 3.48Å; E257-N404 PolarHBondContact OE1-ND2 3.05Å; R258-N404 PolarHBondContact N-OD1 2.99Å; R258-N404 PolarHBondContact NH1-O 2.81Å; N404-G406 PolarHBondContact O-N 3.21Å
405	D	95.3	Very high	95.9	Very high	68 Å²	68	46.8 Å²	46.8	36%	0.364	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-12.4	174.1	76.7	-22.8	0	0	0	113.7	R258 L403 T407	R258-D405 PolarHBondContact NH1-O 3.3Å; L403-D405 WeakPolarHBondContact CB-OD1 3.32Å; L403-D405 PolarHBondContact O-N 2.97Å; D405-T407 WeakPolarHBondContact OD1-CB 3.48Å; D405-T407 PolarHBondContact OD1-N 3.15Å; D405-T407 PolarHBondContact OD1-OG1 2.88Å; D405-T407 VanDerWaalsContact OD1-OG1 3.11Å; D405-T407 PolarHBondContact OD2-OG1 3.34Å
406	G	96.4	Very high	95.9	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.265	C	S	.	.	S	Bend	trans	104.3	-7.1	-179.4	0	0	0	0	0	114.1	W383 L403 N404	W383-G406 PolarHBondContact NE1-O 2.84Å; L403-G406 WeakPolarHBondContact O-CA 3.22Å; L403-G406 PolarHBondContact O-N 3.45Å; N404-G406 PolarHBondContact O-N 3.21Å
407	T	97.3	Very high	96.1	Very high	5 Å²	5	45.6 Å²	45.6	3%	0.031	24%	0.242	C	C	.	.			trans	-69.3	135.2	-178.7	-61.4	0	0	0	0	111.5	E370 L371 K372 L403 D405	E370-T407 HydrophobicContact CB-CG2 4.04Å; E370-T407 HydrophobicContact CG-CG2 4.44Å; L371-T407 WeakPolarHBondContact O-CA 3.48Å; K372-T407 HydrophobicContact CG-CG2 4.4Å; L403-T407 HydrophobicContact CD1-CG2 4.35Å; L403-T407 PolarHBondContact N-O 3.09Å; D405-T407 WeakPolarHBondContact OD1-CB 3.48Å; D405-T407 PolarHBondContact OD1-N 3.15Å; D405-T407 PolarHBondContact OD1-OG1 2.88Å; D405-T407 VanDerWaalsContact OD1-OG1 3.11Å; D405-T407 PolarHBondContact OD2-OG1 3.34Å
408	L	98	Very high	96.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	118.8	171.9	-168.4	70.4	0	0	0	109.5	E370 L371 W383 I400 V402 F410 Y421	E370-L408 CarbonylContact C-O 3.53Å; E370-L408 WeakPolarHBondContact CA-O 3.21Å; L371-L408 HydrophobicContact CB-CB 4.27Å; L371-L408 HydrophobicContact CD1-CD2 4.36Å; L371-L408 PolarHBondContact N-O 3.49Å; L371-L408 PolarHBondContact O-N 3.05Å; W383-L408 HydrophobicContact CB-CD1 4.08Å; W383-L408 HydrophobicContact CD2-CB 3.84Å; W383-L408 HydrophobicContact CD2-CD1 4.29Å; W383-L408 HydrophobicContact CD2-CD2 4Å; W383-L408 HydrophobicContact CD2-CG 4.28Å; W383-L408 HydrophobicContact CE3-CB 4.32Å; W383-L408 HydrophobicContact CE3-CD2 3.9Å; W383-L408 HydrophobicContact CG-CB 4.22Å; W383-L408 HydrophobicContact CG-CD1 3.87Å; W383-L408 HydrophobicContact CG-CD2 4.32Å; W383-L408 HydrophobicContact CG-CG 4.39Å; W383-L408 HydrophobicContact CH2-CB 4.23Å; W383-L408 HydrophobicContact CZ2-CB 3.76Å; W383-L408 HydrophobicContact CZ3-CD2 4.35Å; I400-L408 HydrophobicContact CG2-CD1 3.57Å; I400-L408 HydrophobicContact CG2-CD2 4.26Å; I400-L408 HydrophobicContact CG2-CG 3.87Å; V402-L408 HydrophobicContact CG2-CD1 3.74Å; L408-F410 HydrophobicContact CD2-CE2 3.7Å; L408-F410 HydrophobicContact CD2-CZ 3.78Å; L408-F410 HydrophobicContact CG-CE2 3.88Å; L408-F410 HydrophobicContact CG-CZ 4.32Å; L408-Y421 HydrophobicContact CD2-CD1 3.49Å; L408-Y421 VanDerWaalsContact CD2-CD1 3.49Å; L408-Y421 HydrophobicContact CD2-CE1 3.91Å; L408-Y421 HydrophobicContact CD2-CG 4.36Å
409	N	97.6	Very high	96.4	Very high	30 Å²	30	39.3 Å²	39.3	16%	0.16	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	137.3	-176.7	-175	17.5	0	0	0	111.2	I400 S401 L403	I400-N409 CarbonylContact C-O 3.52Å; I400-N409 VanDerWaalsContact CA-O 3.32Å; I400-N409 WeakPolarHBondContact CA-O 3.4Å; S401-N409 PolarHBondContact N-O 2.95Å; S401-N409 PolarHBondContact O-N 2.94Å; L403-N409 HydrophobicContact CD1-CB 4.19Å; L403-N409 HydrophobicContact CD2-CB 4.33Å; L403-N409 HydrophobicContact CG-CB 4.08Å
410	F	97.7	Very high	96.5	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	118.2	175.2	-63.9	-107.3	0	0	0	109.4	M368 A369 L371 I400 L408 R412 V413 D417 Y421 L438	M368-F410 WeakPolarHBondContact CA-O 3.26Å; A369-F410 HydrophobicContact CB-CB 4.16Å; A369-F410 HydrophobicContact CB-CD2 4.15Å; A369-F410 HydrophobicContact CB-CG 4.36Å; A369-F410 PolarHBondContact N-O 3.32Å; A369-F410 PolarHBondContact O-N 3.42Å; L371-F410 HydrophobicContact CD1-CE2 4.39Å; L371-F410 HydrophobicContact CG-CE2 4.49Å; I400-F410 HydrophobicContact CD1-CD1 4.03Å; I400-F410 HydrophobicContact CD1-CE1 3.58Å; I400-F410 HydrophobicContact CD1-CZ 4.4Å; I400-F410 HydrophobicContact CG1-CD1 3.66Å; I400-F410 HydrophobicContact CG1-CE1 3.71Å; I400-F410 HydrophobicContact CG1-CG 4.49Å; I400-F410 HydrophobicContact CG2-CD1 4.45Å; I400-F410 HydrophobicContact CG2-CE1 4.2Å; I400-F410 HydrophobicContact CG2-CZ 4.27Å; L408-F410 HydrophobicContact CD2-CE2 3.7Å; L408-F410 HydrophobicContact CD2-CZ 3.78Å; L408-F410 HydrophobicContact CG-CE2 3.88Å; L408-F410 HydrophobicContact CG-CZ 4.32Å; F410-R412 VanDerWaalsContact C-N 3.3Å; F410-R412 PolarHBondContact O-N 3.37Å; F410-V413 HydrophobicContact CB-CG1 3.81Å; F410-V413 HydrophobicContact CD1-CG1 4.09Å; F410-V413 HydrophobicContact CG-CG1 4.01Å; F410-D417 HydrophobicContact CE1-CB 4.35Å; F410-Y421 HydrophobicContact CE1-CE1 4.24Å; F410-Y421 HydrophobicContact CZ-CD1 4.31Å; F410-Y421 AromaticContact CZ-CE1 3.61Å; F410-Y421 HydrophobicContact CZ-CE1 3.61Å; F410-Y421 HydrophobicContact CZ-CE2 4.46Å; F410-Y421 AromaticContact CZ-CZ 3.71Å; F410-L438 HydrophobicContact CE1-CD2 4.17Å; F410-L438 HydrophobicContact CE2-CD2 4.39Å; F410-L438 HydrophobicContact CZ-CD2 3.97Å
411	S	95.7	Very high	96.5	Very high	64 Å²	64	41.1 Å²	41.1	45%	0.448	22%	0.222	S	C	.	.	S	Bend	trans	-63.6	-36.1	171.9	53.9	0	0	0	0	112.8	M368 R399	M368-S411 WeakPolarHBondContact CG-O 3.34Å; R399-S411 VanDerWaalsContact CA-OG 3.29Å; R399-S411 WeakPolarHBondContact CA-OG 3.47Å; R399-S411 PolarHBondContact O-N 3.34Å; R399-S411 PolarHBondContact O-OG 2.87Å
412	R	94.7	Very high	96.6	Very high	133 Å²	133	40 Å²	40	50%	0.502	21%	0.214	S	C	.	.	S	Bend	trans	-155.6	133.6	169.1	66.3	-177.3	-173.3	-167.4	0.8	109.2	R367 R399 F410	R367-R412 WeakPolarHBondContact O-CA 3.18Å; R399-R412 PolarHBondContact NH1-O 2.83Å; F410-R412 VanDerWaalsContact C-N 3.3Å; F410-R412 PolarHBondContact O-N 3.37Å
413	V	95.5	Very high	96.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.212	C	C	.	.			trans	-86.8	139.9	175.1	-61.4	0	0	0	0	111.2	I363 S364 D366 R367 A369 F410 V440	I363-V413 HydrophobicContact CD1-CG2 4.44Å; I363-V413 HydrophobicContact CG2-CB 4.46Å; I363-V413 HydrophobicContact CG2-CG1 4.38Å; I363-V413 HydrophobicContact CG2-CG2 3.81Å; S364-V413 VanDerWaalsContact O-CG2 3.26Å; S364-V413 WeakPolarHBondContact O-CG2 3.35Å; D366-V413 PolarHBondContact N-O 2.93Å; R367-V413 WeakPolarHBondContact O-CG2 3.46Å; R367-V413 PolarHBondContact O-N 2.93Å; A369-V413 HydrophobicContact CB-CG1 3.44Å; A369-V413 VanDerWaalsContact CB-CG1 3.44Å; F410-V413 HydrophobicContact CB-CG1 3.81Å; F410-V413 HydrophobicContact CD1-CG1 4.09Å; F410-V413 HydrophobicContact CG-CG1 4.01Å; V413-V440 HydrophobicContact CB-CG1 4.45Å; V413-V440 HydrophobicContact CB-CG2 4.14Å; V413-V440 HydrophobicContact CG2-CG1 4.02Å; V413-V440 HydrophobicContact CG2-CG2 4.36Å
414	L	95.7	Very high	96.7	Very high	46 Å²	46	39.3 Å²	39.3	24%	0.241	21%	0.209	C	C	.	.			trans	-115	157.6	175.8	-61.2	178.5	0	0	0	109.7	I416 D417	L414-I416 HydrophobicContact CB-CG2 3.89Å; L414-I416 HydrophobicContact CD1-CG2 4.43Å; L414-I416 PolarHBondContact O-N 2.82Å; L414-I416 VanDerWaalsContact O-N 3.1Å; L414-D417 PolarHBondContact N-OD2 3.47Å; L414-D417 VanDerWaalsContact O-CB 3.28Å; L414-D417 WeakPolarHBondContact O-CB 3.49Å; L414-D417 PolarHBondContact O-N 3.42Å
415	L	94.1	Very high	96.8	Very high	78 Å²	78	37.3 Å²	37.3	41%	0.408	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-52.5	-35.4	176.5	-75.5	168.4	0	0	0	113.7	E365 D417 T418 V440 S442	E365-L415 PolarHBondContact OE1-N 2.93Å; L415-D417 PolarHBondContact O-N 3.09Å; L415-T418 WeakPolarHBondContact O-CB 3.33Å; L415-T418 PolarHBondContact O-N 3.32Å; L415-T418 PolarHBondContact O-OG1 2.9Å; L415-V440 HydrophobicContact CD2-CG1 4.45Å; L415-V440 WeakPolarHBondContact CD2-O 3.17Å; L415-S442 WeakPolarHBondContact CD1-OG 3.32Å
416	I	94.8	Very high	96.9	Very high	147 Å²	147	36.3 Å²	36.3	75%	0.754	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	-66.6	-17.3	178	-168.2	163	0	0	0	113.7	L414 T418	L414-I416 HydrophobicContact CB-CG2 3.89Å; L414-I416 HydrophobicContact CD1-CG2 4.43Å; L414-I416 PolarHBondContact O-N 2.82Å; L414-I416 VanDerWaalsContact O-N 3.1Å; I416-T418 PolarHBondContact O-N 2.91Å
417	D	96.2	Very high	96.9	Very high	10 Å²	10	37.5 Å²	37.5	5%	0.053	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-78	0.1	177.5	-59.4	-33.6	0	0	0	111.9	R399 F410 L414 L415 G419 Y421 L438 V440	R399-D417 IonicContact CZ-OD1 3.95Å; R399-D417 IonicContact CZ-OD2 3.33Å; R399-D417 IonicContact NH1-OD1 3.98Å; R399-D417 IonicContact NH1-OD2 2.61Å; R399-D417 PolarHBondContact NH1-OD2 3.34Å; R399-D417 IonicContact NH2-OD1 2.82Å; R399-D417 PolarHBondContact NH2-OD1 2.72Å; R399-D417 IonicContact NH2-OD2 3.85Å; R399-D417 PolarHBondContact NH2-OD2 3.41Å; F410-D417 HydrophobicContact CE1-CB 4.35Å; L414-D417 PolarHBondContact N-OD2 3.47Å; L414-D417 VanDerWaalsContact O-CB 3.28Å; L414-D417 WeakPolarHBondContact O-CB 3.49Å; L414-D417 PolarHBondContact O-N 3.42Å; L415-D417 PolarHBondContact O-N 3.09Å; D417-G419 PolarHBondContact O-N 3.29Å; D417-Y421 VanDerWaalsContact O-CE2 3.25Å; D417-Y421 WeakPolarHBondContact O-CE2 3.24Å; D417-Y421 PolarHBondContact O-OH 2.91Å; D417-L438 HydrophobicContact CB-CD2 4.28Å; D417-V440 HydrophobicContact CB-CG2 4.48Å
418	T	96.8	Very high	96.7	Very high	45 Å²	45	39.5 Å²	39.5	28%	0.276	21%	0.213	S	C	.	.			trans	-67.5	126.4	177.2	-61.6	0	0	0	0	111.3	L415 I416 Y437 L438 V440	L415-T418 WeakPolarHBondContact O-CB 3.33Å; L415-T418 PolarHBondContact O-N 3.32Å; L415-T418 PolarHBondContact O-OG1 2.9Å; I416-T418 PolarHBondContact O-N 2.91Å; T418-Y437 HydrophobicContact CG2-CE1 4.31Å; T418-L438 VanDerWaalsContact CA-O 3.32Å; T418-L438 WeakPolarHBondContact CA-O 3.04Å; T418-V440 PolarHBondContact OG1-N 3.09Å
419	G	97.4	Very high	96.6	Very high	8 Å²	8	41.6 Å²	41.6	8%	0.082	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.5	-169.9	177.2	0	0	0	0	0	114.7	D417 L438	D417-G419 PolarHBondContact O-N 3.29Å; G419-L438 PolarHBondContact N-O 2.92Å; G419-L438 PolarHBondContact O-N 3.23Å
420	V	98.2	Very high	96.5	Very high	75 Å²	75	41.6 Å²	41.6	46%	0.455	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	124	178.3	-178	0	0	0	0	110.1	P386 Y437	P386-V420 WeakPolarHBondContact CG-O 3.38Å; V420-Y437 HydrophobicContact CG2-CD2 3.77Å; V420-Y437 HydrophobicContact CG2-CE2 4.29Å
421	Y	98.4	Very high	96.4	Very high	4 Å²	4	47 Å²	47	2%	0.016	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	130.6	172.7	-69.9	-101.4	0	0	0	109.3	L371 L385 P386 L408 F410 D417 S435 A436 L438	L371-Y421 HydrophobicContact CD1-CD1 4.42Å; L371-Y421 HydrophobicContact CD1-CD2 4.06Å; L371-Y421 HydrophobicContact CD1-CG 3.82Å; L385-Y421 HydrophobicContact CB-CE1 4.38Å; L385-Y421 HydrophobicContact CG-CD1 4.2Å; L385-Y421 HydrophobicContact CG-CE1 3.86Å; P386-Y421 VanDerWaalsContact CD-CZ 3.46Å; P386-Y421 HydrophobicContact CG-CD2 3.95Å; P386-Y421 HydrophobicContact CG-CE1 4.3Å; P386-Y421 HydrophobicContact CG-CE2 3.56Å; P386-Y421 HydrophobicContact CG-CG 4.45Å; L408-Y421 HydrophobicContact CD2-CD1 3.49Å; L408-Y421 VanDerWaalsContact CD2-CD1 3.49Å; L408-Y421 HydrophobicContact CD2-CE1 3.91Å; L408-Y421 HydrophobicContact CD2-CG 4.36Å; F410-Y421 HydrophobicContact CE1-CE1 4.24Å; F410-Y421 HydrophobicContact CZ-CD1 4.31Å; F410-Y421 AromaticContact CZ-CE1 3.61Å; F410-Y421 HydrophobicContact CZ-CE1 3.61Å; F410-Y421 HydrophobicContact CZ-CE2 4.46Å; F410-Y421 AromaticContact CZ-CZ 3.71Å; D417-Y421 VanDerWaalsContact O-CE2 3.25Å; D417-Y421 WeakPolarHBondContact O-CE2 3.24Å; D417-Y421 PolarHBondContact O-OH 2.91Å; Y421-S435 CarbonylContact O-C 3.26Å; Y421-S435 WeakPolarHBondContact O-CA 3.46Å; Y421-A436 PolarHBondContact N-O 2.91Å; Y421-A436 PolarHBondContact O-N 2.88Å; Y421-L438 HydrophobicContact CD2-CB 3.97Å; Y421-L438 HydrophobicContact CE2-CB 3.79Å; Y421-L438 HydrophobicContact CE2-CD2 3.94Å
422	T	98.4	Very high	96.5	Very high	23 Å²	23	45.7 Å²	45.7	14%	0.141	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	116.7	-179.1	-55.1	0	0	0	0	110.6	W383 L384 M424 N433 A434 S435	W383-T422 WeakPolarHBondContact CA-O 2.99Å; L384-T422 PolarHBondContact N-O 3.08Å; L384-T422 PolarHBondContact O-N 3.42Å; T422-M424 HydrophobicContact CG2-CG 4.08Å; T422-N433 HydrophobicContact CG2-CB 4.13Å; T422-A434 CarbonylContact C-O 3.22Å; T422-A434 WeakPolarHBondContact CA-O 3.44Å; T422-S435 WeakPolarHBondContact CB-OG 3.47Å; T422-S435 WeakPolarHBondContact CG2-OG 3.3Å; T422-S435 PolarHBondContact OG1-OG 2.82Å
423	C	98.4	Very high	96.7	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	121.1	166.8	-176.4	0	0	0	0	109	C373 W383 N433 A434	C373-C423 HydrophobicContact CB-CB 3.76Å; C373-C423 WeakPolarHBondContact CB-SG 3.35Å; C373-C423 WeakPolarHBondContact SG-CB 3.44Å; C373-C423 CovalentContact SG-SG 2.03Å; C373-C423 PolarHBondContact SG-SG 3.22Å; W383-C423 HydrophobicContact CD2-CB 4.14Å; W383-C423 HydrophobicContact CE3-CB 4.18Å; W383-C423 HydrophobicContact CH2-CB 3.85Å; W383-C423 HydrophobicContact CZ2-CB 3.77Å; W383-C423 HydrophobicContact CZ3-CB 4.03Å; C423-N433 CarbonylContact O-C 3.46Å; C423-N433 VanDerWaalsContact O-CA 3.24Å; C423-N433 WeakPolarHBondContact O-CA 3.29Å; C423-A434 PolarHBondContact N-O 2.91Å; C423-A434 PolarHBondContact O-N 3.28Å
424	M	97.9	Very high	96.8	Very high	48 Å²	48	44.8 Å²	44.8	24%	0.236	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	121.8	178.9	-58.8	-179.8	-65.5	0	0	109	K382 L384 V390 T422 N433	K382-M424 HydrophobicContact CB-CE 4.1Å; K382-M424 PolarHBondContact N-O 3.25Å; K382-M424 PolarHBondContact O-N 2.72Å; L384-M424 HydrophobicContact CB-CE 3.88Å; L384-M424 HydrophobicContact CB-SD 4.27Å; V390-M424 HydrophobicContact CG1-CE 4.07Å; V390-M424 HydrophobicContact CG2-CE 4.28Å; T422-M424 HydrophobicContact CG2-CG 4.08Å; M424-N433 WeakPolarHBondContact CA-OD1 3.26Å
425	V	97.8	Very high	96.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	131.9	-173.8	-168.7	0	0	0	0	109.4	P352 I354 T375 S380 V381 N431 S432	P352-V425 HydrophobicContact CB-CB 4.39Å; P352-V425 HydrophobicContact CB-CG1 3.66Å; P352-V425 HydrophobicContact CG-CB 4.2Å; P352-V425 HydrophobicContact CG-CG1 3.93Å; P352-V425 WeakPolarHBondContact CG-O 3.47Å; I354-V425 HydrophobicContact CD1-CG2 4.04Å; I354-V425 HydrophobicContact CG1-CG2 4.02Å; T375-V425 HydrophobicContact CG2-CB 4.28Å; T375-V425 HydrophobicContact CG2-CG1 3.78Å; T375-V425 HydrophobicContact CG2-CG2 3.56Å; S380-V425 VanDerWaalsContact O-CA 3.3Å; S380-V425 WeakPolarHBondContact O-CA 3.3Å; V381-V425 HydrophobicContact CG2-CG1 4.21Å; V381-V425 HydrophobicContact CG2-CG2 4.32Å; V425-N431 CarbonylContact O-C 3.22Å; V425-N431 VanDerWaalsContact O-CA 3.29Å; V425-N431 WeakPolarHBondContact O-CA 3.13Å; V425-S432 PolarHBondContact N-O 2.87Å; V425-S432 PolarHBondContact O-N 2.98Å
426	T	97.5	Very high	97.1	Very high	47 Å²	47	42 Å²	42	29%	0.288	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	142.2	-178.3	58.2	0	0	0	0	112.1	S380 N431	S380-T426 WeakPolarHBondContact CB-OG1 3.23Å; S380-T426 PolarHBondContact N-O 3.05Å; S380-T426 PolarHBondContact O-N 2.95Å; T426-N431 HydrophobicContact CG2-CB 4Å
427	N	96.2	Very high	97.2	Very high	25 Å²	25	40.1 Å²	40.1	13%	0.134	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	-177.4	166.2	75	4.2	0	0	0	109.4	H282 S350 P352 A429 G430	H282-N427 VanDerWaalsContact NE2-C 3.29Å; S350-N427 PolarHBondContact O-ND2 3.01Å; P352-N427 HydrophobicContact CB-CB 4.4Å; P352-N427 WeakPolarHBondContact CD-OD1 3.16Å; N427-A429 PolarHBondContact O-N 3.06Å; N427-A429 VanDerWaalsContact O-N 3.14Å; N427-A429 WeakPolarHBondContact OD1-CA 3.34Å; N427-A429 WeakPolarHBondContact OD1-CB 3.48Å; N427-A429 PolarHBondContact OD1-N 2.93Å; N427-G430 PolarHBondContact N-O 2.95Å; N427-G430 PolarHBondContact O-N 2.86Å; N427-G430 VanDerWaalsContact O-O 3.07Å; N427-G430 PolarHBondContact OD1-N 2.88Å; N427-G430 VanDerWaalsContact OD1-N 3.11Å; N427-G430 PolarHBondContact OD1-O 2.8Å
428	V	94.4	Very high	97.3	Very high	46 Å²	46	39.7 Å²	39.7	28%	0.279	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-23.2	-177.8	73.8	0	0	0	0	113.8	H282 C305 L308	H282-V428 PolarHBondContact CD2-N 3.36Å; H282-V428 PolarHBondContact NE2-N 2.89Å; C305-V428 WeakPolarHBondContact O-CG1 3.36Å; L308-V428 HydrophobicContact CB-CB 4.39Å; L308-V428 HydrophobicContact CB-CG1 4.11Å; L308-V428 HydrophobicContact CB-CG2 3.94Å; L308-V428 HydrophobicContact CD1-CG1 4.04Å
429	A	95	Very high	97.3	Very high	44 Å²	44	40.4 Å²	40.4	36%	0.364	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-16	-176.7	0	0	0	0	0	113.2	C349 S350 N427	C349-A429 HydrophobicContact CB-CB 3.86Å; S350-A429 WeakPolarHBondContact O-CB 3.4Å; N427-A429 PolarHBondContact O-N 3.06Å; N427-A429 VanDerWaalsContact O-N 3.14Å; N427-A429 WeakPolarHBondContact OD1-CA 3.34Å; N427-A429 WeakPolarHBondContact OD1-CB 3.48Å; N427-A429 PolarHBondContact OD1-N 2.93Å
430	G	95.7	Very high	97.1	Very high	30 Å²	30	40.3 Å²	40.3	31%	0.309	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	157	-159.7	177.7	0	0	0	0	0	114	P352 N427	P352-G430 WeakPolarHBondContact CD-O 3.22Å; N427-G430 PolarHBondContact N-O 2.95Å; N427-G430 PolarHBondContact O-N 2.86Å; N427-G430 VanDerWaalsContact O-O 3.07Å; N427-G430 PolarHBondContact OD1-N 2.88Å; N427-G430 VanDerWaalsContact OD1-N 3.11Å; N427-G430 PolarHBondContact OD1-O 2.8Å
431	N	96.8	Very high	96.8	Very high	114 Å²	114	38.1 Å²	38.1	61%	0.61	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-124.7	157.2	-178.4	54.8	22.3	0	0	0	111.2	V425 T426	V425-N431 CarbonylContact O-C 3.22Å; V425-N431 VanDerWaalsContact O-CA 3.29Å; V425-N431 WeakPolarHBondContact O-CA 3.13Å; T426-N431 HydrophobicContact CG2-CB 4Å
432	S	97.2	Very high	96.2	Very high	36 Å²	36	42 Å²	42	25%	0.252	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	134.8	173.1	-69.9	0	0	0	0	109.2	P352 V425	P352-S432 WeakPolarHBondContact O-CB 3.37Å; P352-S432 PolarHBondContact O-OG 3.02Å; V425-S432 PolarHBondContact N-O 2.87Å; V425-S432 PolarHBondContact O-N 2.98Å
433	N	97.5	Very high	95.3	Very high	98 Å²	98	44 Å²	44	52%	0.524	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	142	-176	-60	-18.5	0	0	0	109.7	T422 C423 M424	T422-N433 HydrophobicContact CG2-CB 4.13Å; C423-N433 CarbonylContact O-C 3.46Å; C423-N433 VanDerWaalsContact O-CA 3.24Å; C423-N433 WeakPolarHBondContact O-CA 3.29Å; M424-N433 WeakPolarHBondContact CA-OD1 3.26Å
434	A	97.8	Very high	94.2	Very high	16 Å²	16	52.2 Å²	52.2	13%	0.132	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	137.6	170.7	0	0	0	0	0	109.5	I354 A357 P358 T422 C423	I354-A434 HydrophobicContact CD1-CB 3.63Å; I354-A434 HydrophobicContact CG2-CB 4.47Å; A357-A434 HydrophobicContact CB-CB 4.03Å; P358-A434 HydrophobicContact CG-CB 4.28Å; T422-A434 CarbonylContact C-O 3.22Å; T422-A434 WeakPolarHBondContact CA-O 3.44Å; C423-A434 PolarHBondContact N-O 2.91Å; C423-A434 PolarHBondContact O-N 3.28Å
435	S	98	Very high	92.7	Very high	65 Å²	65	52.7 Å²	52.7	46%	0.455	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	150.3	-177	-54.4	0	0	0	0	111.4	Y421 T422	Y421-S435 CarbonylContact O-C 3.26Å; Y421-S435 WeakPolarHBondContact O-CA 3.46Å; T422-S435 WeakPolarHBondContact CB-OG 3.47Å; T422-S435 WeakPolarHBondContact CG2-OG 3.3Å; T422-S435 PolarHBondContact OG1-OG 2.82Å
436	A	97.9	Very high	90.9	Very high	2 Å²	2	60.8 Å²	60.8	2%	0.017	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	151.1	171.8	0	0	0	0	0	110.5	P358 D360 Y421	P358-A436 HydrophobicContact CB-CB 3.65Å; P358-A436 HydrophobicContact CG-CB 4.04Å; D360-A436 WeakPolarHBondContact OD1-CA 3.27Å; Y421-A436 PolarHBondContact N-O 2.91Å; Y421-A436 PolarHBondContact O-N 2.88Å
437	Y	98.1	Very high	88.8	Confident	107 Å²	107	60.6 Å²	60.6	42%	0.42	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	121.6	174.6	-164.1	-95.9	0	0	0	110.6	D360 L361 T418 V420 N439	D360-Y437 VanDerWaalsContact CA-O 3.28Å; D360-Y437 WeakPolarHBondContact CA-O 3.29Å; D360-Y437 PolarHBondContact OD1-N 3.11Å; L361-Y437 PolarHBondContact N-O 3.32Å; T418-Y437 HydrophobicContact CG2-CE1 4.31Å; V420-Y437 HydrophobicContact CG2-CD2 3.77Å; V420-Y437 HydrophobicContact CG2-CE2 4.29Å; Y437-N439 HydrophobicContact CD1-CB 4.1Å; Y437-N439 HydrophobicContact CE1-CB 3.94Å
438	L	97.3	Very high	86.8	Confident	0 Å²	0	65 Å²	65	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	122.3	170.2	-179.7	65.6	0	0	0	108.4	L361 I363 F410 D417 T418 G419 Y421 V440	L361-L438 HydrophobicContact CB-CD1 4Å; L361-L438 HydrophobicContact CD2-CD1 4.01Å; L361-L438 HydrophobicContact CG-CD1 4.22Å; I363-L438 HydrophobicContact CG2-CD1 3.91Å; F410-L438 HydrophobicContact CE1-CD2 4.17Å; F410-L438 HydrophobicContact CE2-CD2 4.39Å; F410-L438 HydrophobicContact CZ-CD2 3.97Å; D417-L438 HydrophobicContact CB-CD2 4.28Å; T418-L438 VanDerWaalsContact CA-O 3.32Å; T418-L438 WeakPolarHBondContact CA-O 3.04Å; G419-L438 PolarHBondContact N-O 2.92Å; G419-L438 PolarHBondContact O-N 3.23Å; Y421-L438 HydrophobicContact CD2-CB 3.97Å; Y421-L438 HydrophobicContact CE2-CB 3.79Å; Y421-L438 HydrophobicContact CE2-CD2 3.94Å; L438-V440 HydrophobicContact CD2-CG2 4.23Å; L438-V440 HydrophobicContact CG-CG2 4.05Å
439	N	96.6	Very high	84.2	Confident	61 Å²	61	70.4 Å²	70.4	33%	0.326	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	111.8	177.7	-176.3	21.6	0	0	0	109.7	L361 N362 I363 Y437	L361-N439 PolarHBondContact O-N 2.87Å; N362-N439 WeakPolarHBondContact CA-O 3.42Å; N362-N439 VanDerWaalsContact OD1-CB 3.23Å; N362-N439 WeakPolarHBondContact OD1-CB 3.49Å; N362-N439 PolarHBondContact OD1-ND2 2.82Å; I363-N439 PolarHBondContact N-O 2.85Å; Y437-N439 HydrophobicContact CD1-CB 4.1Å; Y437-N439 HydrophobicContact CE1-CB 3.94Å
440	V	94.9	Very high	81.9	Confident	6 Å²	6	76.3 Å²	76.3	4%	0.036	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	126	-179.3	-172.5	0	0	0	0	109.1	I363 E365 V413 L415 D417 T418 L438	I363-V440 HydrophobicContact CG2-CG2 4.14Å; I363-V440 WeakPolarHBondContact O-CA 3.4Å; E365-V440 HydrophobicContact CB-CG1 4.16Å; V413-V440 HydrophobicContact CB-CG1 4.45Å; V413-V440 HydrophobicContact CB-CG2 4.14Å; V413-V440 HydrophobicContact CG2-CG1 4.02Å; V413-V440 HydrophobicContact CG2-CG2 4.36Å; L415-V440 HydrophobicContact CD2-CG1 4.45Å; L415-V440 WeakPolarHBondContact CD2-O 3.17Å; D417-V440 HydrophobicContact CB-CG2 4.48Å; T418-V440 PolarHBondContact OG1-N 3.09Å; L438-V440 HydrophobicContact CD2-CG2 4.23Å; L438-V440 HydrophobicContact CG-CG2 4.05Å
441	S	91.6	Very high	79	Confident	29 Å²	29	79.4 Å²	79.4	20%	0.203	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	144.7	178.6	76.9	0	0	0	0	111.9	I363 S364 E365 A443 L445	I363-S441 PolarHBondContact O-N 2.8Å; S364-S441 VanDerWaalsContact CA-O 3.3Å; S364-S441 WeakPolarHBondContact CA-O 3.35Å; E365-S441 PolarHBondContact N-O 2.79Å; S441-A443 PolarHBondContact O-N 2.79Å; S441-A443 PolarHBondContact OG-O 2.03Å; S441-L445 WeakPolarHBondContact OG-CD1 3.41Å
442	S	86.1	Confident	76.4	Confident	85 Å²	85	79.9 Å²	79.9	59%	0.594	45%	0.445	S	S	*	.	S	Bend	trans	-71.7	-10.8	170.7	-50.4	0	0	0	0	113.3	L415	L415-S442 WeakPolarHBondContact CD1-OG 3.32Å
443	A	78.4	Confident	73.5	Confident	64 Å²	64	87 Å²	87	53%	0.529	47%	0.471	S	S	.	.	S	Bend	trans	-74.6	140.9	174.6	0	0	0	0	0	110.3	S364 S441 L445	S364-A443 PolarHBondContact OG-O 2.96Å; S441-A443 PolarHBondContact O-N 2.79Å; S441-A443 PolarHBondContact OG-O 2.03Å; A443-L445 PolarHBondContact O-N 3.24Å
444	E	75	Confident	70.5	Confident	174 Å²	174	88.3 Å²	88.3	81%	0.813	48%	0.483	S	S	*	.			trans	-65.4	97	167.3	-77.5	-179.1	171.9	0	0	108.9
445	L	67.8	Low	67.6	Low	57 Å²	57	93.3 Å²	93.3	30%	0.298	51%	0.512	S	S	.	.			trans	-75.9	127.6	169.2	-76.1	157.8	0	0	0	106.8	N362 S364 R367 S441 A443 T447	N362-L445 HydrophobicContact CB-CD1 4.18Å; S364-L445 PolarHBondContact OG-N 2.9Å; R367-L445 PolarHBondContact NH1-O 2.76Å; S441-L445 WeakPolarHBondContact OG-CD1 3.41Å; A443-L445 PolarHBondContact O-N 3.24Å; L445-T447 HydrophobicContact CB-CG2 3.98Å; L445-T447 PolarHBondContact O-N 3.32Å
446	N	58.9	Low	64.6	Low	170 Å²	170	95.3 Å²	95.3	91%	0.909	52%	0.521	S	S	*	.			trans	-67.9	69.9	164.3	-76.1	-16.6	0	0	0	108.7
447	T	54.5	Low	61.7	Low	44 Å²	44	101.3 Å²	101.3	27%	0.27	56%	0.558	S	S	.	*			trans	-71.6	136.9	170.2	60	0	0	0	0	108.1	R367 L445 N449	R367-T447 PolarHBondContact NH1-OG1 2.83Å; L445-T447 HydrophobicContact CB-CG2 3.98Å; L445-T447 PolarHBondContact O-N 3.32Å; T447-N449 PolarHBondContact O-N 3.18Å
448	P	53.5	Low	58.8	Low	117 Å²	117	101.1 Å²	101.1	76%	0.76	57%	0.568	S	S	*	*			trans	-57.2	132.6	176.3	23	-30.9	0	0	0	110.2	F450	P448-F450 PolarHBondContact O-N 2.87Å
449	N	39.4	Very low	56	Low	159 Å²	159	110 Å²	110	85%	0.85	61%	0.609	S	S	*	*			trans	-43.8	102.3	-177.9	-77.8	-22.2	0	0	0	113.2	T447 S451	T447-N449 PolarHBondContact O-N 3.18Å; N449-S451 PolarHBondContact O-N 2.86Å
450	F	46.8	Very low	53.2	Low	169 Å²	169	112.6 Å²	112.6	74%	0.741	63%	0.627	S	S	*	*			trans	-83.7	95.8	141.6	-82	-82.7	0	0	0	106.6	P448 F452	P448-F450 PolarHBondContact O-N 2.87Å; F450-F452 HydrophobicContact CB-CD2 4.46Å; F450-F452 HydrophobicContact CB-CE2 3.84Å; F450-F452 HydrophobicContact CB-CZ 4.11Å; F450-F452 WeakPolarHBondContact O-CD2 3.44Å; F450-F452 PolarHBondContact O-N 2.99Å; F450-F452 VanDerWaalsContact O-N 3.13Å
451	S	34.4	Very low	50.4	Low	94 Å²	94	118.1 Å²	118.1	66%	0.657	66%	0.661	S	S	*	*			trans	-68	103	169.5	54.9	0	0	0	0	108.6	N449 F453	N449-S451 PolarHBondContact O-N 2.86Å; S451-F453 PolarHBondContact O-N 2.85Å
452	F	43.3	Very low	47.7	Very low	125 Å²	125	126 Å²	126	55%	0.548	70%	0.695	S	S	.	*			trans	-80.4	112.1	167.1	-65	-81.6	0	0	0	108.4	M368 F450 T454	M368-F452 HydrophobicContact CB-CE2 4.38Å; M368-F452 HydrophobicContact CB-CZ 4.07Å; M368-F452 HydrophobicContact SD-CD1 4.32Å; M368-F452 HydrophobicContact SD-CE1 4.13Å; M368-F452 HydrophobicContact SD-CZ 4.28Å; F450-F452 HydrophobicContact CB-CD2 4.46Å; F450-F452 HydrophobicContact CB-CE2 3.84Å; F450-F452 HydrophobicContact CB-CZ 4.11Å; F450-F452 WeakPolarHBondContact O-CD2 3.44Å; F450-F452 PolarHBondContact O-N 2.99Å; F450-F452 VanDerWaalsContact O-N 3.13Å; F452-T454 PolarHBondContact O-N 2.93Å
453	F	35.6	Very low	45.5	Very low	186 Å²	186	129.2 Å²	129.2	82%	0.816	70%	0.704	S	S	*	*			trans	-70.9	108.8	157.3	-82.8	-92.4	0	0	0	107.2	S451 T455	S451-F453 PolarHBondContact O-N 2.85Å; F453-T455 PolarHBondContact O-N 2.89Å; F453-T455 VanDerWaalsContact O-N 3.09Å
454	T	34.9	Very low	43.5	Very low	124 Å²	124	130.3 Å²	130.3	76%	0.761	71%	0.707	S	S	*	*			trans	-67.7	101.7	158.3	-35.2	0	0	0	0	106	F452 V456	F452-T454 PolarHBondContact O-N 2.93Å; T454-V456 HydrophobicContact CG2-CG2 4.29Å; T454-V456 PolarHBondContact O-N 3.3Å
455	T	36.2	Very low	41.8	Very low	122 Å²	122	128.1 Å²	128.1	75%	0.748	71%	0.708	S	S	*	*			trans	-68.4	88.8	163.1	43	0	0	0	0	107.2	F453 T457	F453-T455 PolarHBondContact O-N 2.89Å; F453-T455 VanDerWaalsContact O-N 3.09Å; T455-T457 PolarHBondContact O-N 3.41Å
456	V	35.1	Very low	40.7	Very low	106 Å²	106	133.4 Å²	133.4	64%	0.642	73%	0.732	S	S	*	*			trans	-70.1	104.1	155.3	-178.8	0	0	0	0	104.8	T454 V458	T454-V456 HydrophobicContact CG2-CG2 4.29Å; T454-V456 PolarHBondContact O-N 3.3Å; V456-V458 HydrophobicContact CG1-CG2 3.9Å; V456-V458 PolarHBondContact O-N 3.04Å
457	T	37.8	Very low	39.7	Very low	129 Å²	129	133.1 Å²	133.1	79%	0.791	73%	0.73	S	S	*	*			trans	-63.8	91.4	164.4	44.5	0	0	0	0	107.2	T455	T455-T457 PolarHBondContact O-N 3.41Å
458	V	37.5	Very low	39	Very low	103 Å²	103	138.9 Å²	138.9	62%	0.624	76%	0.757	S	S	*	*			trans	-78.4	113.2	160.6	-178.7	0	0	0	0	105	V456 T460	V456-V458 HydrophobicContact CG1-CG2 3.9Å; V456-V458 PolarHBondContact O-N 3.04Å; V458-T460 HydrophobicContact CG1-CG2 4.37Å; V458-T460 PolarHBondContact O-N 2.87Å
459	E	37	Very low	38.3	Very low	185 Å²	185	138.9 Å²	138.9	86%	0.864	76%	0.755	S	S	*	*			trans	-60.4	90.7	164.7	-71.7	179.4	163.8	0	0	108	T461	E459-T461 PolarHBondContact O-N 3.19Å; E459-T461 VanDerWaalsContact O-N 3.16Å
460	T	38	Very low	38.4	Very low	116 Å²	116	143 Å²	143	71%	0.712	76%	0.759	S	S	*	*			trans	-75.1	101.2	165.2	42.1	0	0	0	0	107.1	V458 E462	V458-T460 HydrophobicContact CG1-CG2 4.37Å; V458-T460 PolarHBondContact O-N 2.87Å; T460-E462 PolarHBondContact O-N 3.27Å; T460-E462 VanDerWaalsContact O-N 3.09Å
461	T	36.9	Very low	37.9	Very low	122 Å²	122	144.3 Å²	144.3	75%	0.748	76%	0.764	S	S	*	*			trans	-53.8	110.9	157.1	18.4	0	0	0	0	107.4	E459 I463	E459-T461 PolarHBondContact O-N 3.19Å; E459-T461 VanDerWaalsContact O-N 3.16Å; T461-I463 VanDerWaalsContact C-N 3.35Å; T461-I463 PolarHBondContact O-N 2.81Å
462	E	34.9	Very low	38.1	Very low	195 Å²	195	150 Å²	150	91%	0.911	77%	0.773	S	S	*	*			trans	-62.8	97.9	170.5	-73.2	-171.3	163.4	0	0	108.3	T460 S464	T460-E462 PolarHBondContact O-N 3.27Å; T460-E462 VanDerWaalsContact O-N 3.09Å; E462-S464 PolarHBondContact O-N 3.41Å
463	I	39.9	Very low	37.8	Very low	153 Å²	153	153.4 Å²	153.4	79%	0.785	79%	0.787	S	S	*	*			trans	-80.7	110.6	165.3	-62.3	171.4	0	0	0	106.2	T461	T461-I463 VanDerWaalsContact C-N 3.35Å; T461-I463 PolarHBondContact O-N 2.81Å
464	S	37.1	Very low	37.8	Very low	86 Å²	86	149.9 Å²	149.9	60%	0.601	78%	0.783	S	S	*	*			trans	-47	134.3	168.3	178.5	0	0	0	0	111	E462 E466	E462-S464 PolarHBondContact O-N 3.41Å; S464-E466 VanDerWaalsContact C-N 3.29Å; S464-E466 PolarHBondContact O-N 3.43Å
465	P	38.4	Very low	38.1	Very low	128 Å²	128	150.2 Å²	150.2	83%	0.831	79%	0.785	S	S	*	*	S	Bend	trans	-79.9	75.6	179.8	33.3	-32.9	0	0	0	111
466	E	43.8	Very low	38.1	Very low	169 Å²	169	149 Å²	149	79%	0.79	78%	0.779	S	S	*	*			trans	-140.3	82.6	161.2	-76.9	-169.2	160.3	0	0	108.5	S464	S464-E466 VanDerWaalsContact C-N 3.29Å; S464-E466 PolarHBondContact O-N 3.43Å
467	D	39.4	Very low	38.2	Very low	164 Å²	164	149.8 Å²	149.8	88%	0.877	78%	0.784	S	S	*	*			trans	169.8	76.9	143.1	-91.9	-25.9	0	0	0	111.3	T469	D467-T469 PolarHBondContact O-N 3.02Å
468	I	39.1	Very low	38.1	Very low	165 Å²	165	149.5 Å²	149.5	85%	0.846	78%	0.782	S	S	*	*			trans	-88.4	94.8	159	-60.3	173.6	0	0	0	106.6
469	T	39.9	Very low	38	Very low	116 Å²	116	149.1 Å²	149.1	71%	0.712	78%	0.784	S	S	*	*			trans	167.5	104.7	142.4	39.4	0	0	0	0	111.4	D467	D467-T469 PolarHBondContact O-N 3.02Å
470	R	39.8	Very low	38	Very low	245 Å²	245	147 Å²	147	93%	0.925	78%	0.784	S	S	*	*				170.4	109.9	129	-90.4	159.4	-171.4	-158.4	3.9	113.2
471	K	37.6	Very low	37.6	Very low	197 Å²	197	144.6 Å²	144.6	86%	0.857	78%	0.782	S	S	*	*			trans	3.2	122.5	151.9	-70.8	177.5	174.7	177.8	0	120.9
472	Y	37.3	Very low	37.4	Very low	214 Å²	214	149.3 Å²	149.3	84%	0.839	79%	0.788	S	S	*	*				52.1	113.7	123.8	-87.3	-88.2	0	0	0	121.7
473	K	37.4	Very low	37.2	Very low	197 Å²	197	148.3 Å²	148.3	86%	0.857	78%	0.783	S	S	*	*				169.1	154.5	101	-97.7	-178.4	179.3	-178.5	0	112.4
474	P	36.1	Very low	37	Very low	111 Å²	111	147.2 Å²	147.2	72%	0.721	79%	0.786	S	S	*	*			trans	-118.7	177.1	-160.5	36.7	-18.9	0	0	0	116.8
475	V	41.4	Very low	36.8	Very low	132 Å²	132	147.3 Å²	147.3	80%	0.8	79%	0.792	S	S	*	*			trans	86.9	154.5	156.2	-132.3	0	0	0	0	118.4
476	P	36.9	Very low	36.4	Very low	96 Å²	96	152.2 Å²	152.2	62%	0.623	80%	0.796	S	S	*	*				-138.8	-171	-83.8	45.3	-27.5	0	0	0	115.5
477	T	35.8	Very low	36	Very low	123 Å²	123	150.5 Å²	150.5	76%	0.755	80%	0.797	S	S	*	*			trans	68.3	131.6	159.9	45.9	0	0	0	0	116.7
478	T	35.2	Very low	35.6	Very low	122 Å²	122	149.4 Å²	149.4	75%	0.748	80%	0.796	S	S	*	*			cis	-171.3	139.1	44.5	-8.5	0	0	0	0	110.8
479	S	36	Very low	35.4	Very low	95 Å²	95	147.3 Å²	147.3	66%	0.664	80%	0.796	S	S	*	*			trans	45.9	132.2	142	80	0	0	0	0	125
480	T	36.3	Very low	35.2	Very low	142 Å²	142	148 Å²	148	87%	0.871	80%	0.801	S	S	*	*			trans	96.3	119.8	142.7	68.8	0	0	0	0	119.9
481	G	31.1	Very low	34.9	Very low	65 Å²	65	143.2 Å²	143.2	67%	0.67	80%	0.799	S	S	*	*			trans	120.4	123.2	140.3	0	0	0	0	0	116.2
482	Y	31.9	Very low	34.8	Very low	221 Å²	221	139.8 Å²	139.8	87%	0.867	79%	0.794	S	S	*	*			trans	100.8	110.2	152	-71.4	-90.2	0	0	0	120.7
483	Q	31.4	Very low	34.5	Very low	173 Å²	173	137.3 Å²	137.3	81%	0.808	80%	0.795	S	S	*	*			trans	20.1	137.4	140.1	-61.3	-171.6	-45.1	0	0	120.4
484	P	35.7	Very low	34.5	Very low	130 Å²	130	135 Å²	135	84%	0.844	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-97.2	121.2	153.5	26.1	-10.8	0	0	0	111
485	A	33.2	Very low	34.3	Very low	88 Å²	88	137.8 Å²	137.8	73%	0.727	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-74.8	149	161.4	0	0	0	0	0	110.5
486	Y	29.8	Very low	34	Very low	232 Å²	232	138.1 Å²	138.1	91%	0.91	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-60.9	133.9	173.6	-59.3	-91.4	0	0	0	112
487	T	34.7	Very low	33.7	Very low	133 Å²	133	139.1 Å²	139.1	82%	0.816	80%	0.8	S	S	*	*			trans	-132.7	120.2	158.6	40.3	0	0	0	0	110.1
488	T	30.1	Very low	33.7	Very low	141 Å²	141	144.7 Å²	144.7	87%	0.865	81%	0.807	S	S	*	*			trans	-59	133.5	171.2	44.5	0	0	0	0	112.3
489	S	35.3	Very low	33.7	Very low	121 Å²	121	144.8 Å²	144.8	85%	0.846	81%	0.808	S	S	*	*			trans	-107.6	116.6	169.1	-64	0	0	0	0	110.6
490	T	36.7	Very low	33.6	Very low	130 Å²	130	146.1 Å²	146.1	80%	0.798	81%	0.814	S	S	*	*			trans	-64.9	136.8	172.4	33.8	0	0	0	0	112.9
491	T	33.2	Very low	33.9	Very low	145 Å²	145	149.6 Å²	149.6	89%	0.89	82%	0.817	S	S	*	*			trans	-61.4	131.2	167.6	11.4	0	0	0	0	112
492	V	36.3	Very low	34.2	Very low	125 Å²	125	155.1 Å²	155.1	76%	0.758	83%	0.826	S	S	*	*			trans	-113.8	114.4	166.4	179.9	0	0	0	0	108.8
493	L	31	Very low	34.5	Very low	162 Å²	162	150.5 Å²	150.5	85%	0.848	82%	0.82	S	S	*	*			trans	-73.5	127.3	167.1	-103.3	131.7	0	0	0	109.4
494	I	35.9	Very low	34.8	Very low	148 Å²	148	147.9 Å²	147.9	76%	0.759	82%	0.818	S	S	*	*			trans	-108.6	108.4	166	-62.1	177.8	0	0	0	108.2
495	Q	31.7	Very low	35	Very low	169 Å²	169	147.9 Å²	147.9	79%	0.79	82%	0.815	S	S	*	*			trans	-79.9	132.5	163.6	-81.5	176.3	-33.9	0	0	109.6
496	T	35.5	Very low	35.3	Very low	139 Å²	139	149.3 Å²	149.3	85%	0.853	82%	0.817	S	S	*	*			trans	-113.8	114.8	162.6	-2.3	0	0	0	0	108.8
497	T	30	Very low	35.7	Very low	117 Å²	117	142.6 Å²	142.6	72%	0.718	80%	0.804	S	S	*	*			trans	-117	152.4	170.5	46.1	0	0	0	0	109.3
498	R	36.5	Very low	35.6	Very low	240 Å²	240	142.5 Å²	142.5	91%	0.906	80%	0.803	S	S	*	*			trans	126.8	133.3	161.1	-78.3	-178.3	177.1	-177.5	1	111.9
499	V	35.8	Very low	36	Very low	125 Å²	125	142.6 Å²	142.6	76%	0.758	80%	0.799	S	S	*	*			cis	-156.2	148	23.4	-178.9	0	0	0	0	109.6
500	P	34.3	Very low	36	Very low	122 Å²	122	141.4 Å²	141.4	79%	0.792	79%	0.787	S	S	*	*			trans	-101.8	153	168.2	36.5	-27.3	0	0	0	113.3
501	K	42.6	Very low	36.1	Very low	215 Å²	215	141 Å²	141	94%	0.935	78%	0.784	S	S	*	*			trans	-126.6	146.7	168.7	-96.3	-176.9	175.8	179.4	0	111.4
502	Q	37.2	Very low	36.6	Very low	182 Å²	182	140.8 Å²	140.8	85%	0.85	78%	0.778	S	S	*	*			trans	-107.4	149.1	-158.4	-94.3	-179.3	-16.1	0	0	114.8
503	V	38.2	Very low	36.8	Very low	124 Å²	124	143.3 Å²	143.3	75%	0.752	78%	0.778	S	S	*	*			trans	77.7	152	133.3	171.7	0	0	0	0	118
504	P	37.9	Very low	37.3	Very low	118 Å²	118	143 Å²	143	77%	0.766	78%	0.775	S	S	*	*			cis	-133.9	171.7	16.3	17.4	10.5	0	0	0	119.9
505	V	38.9	Very low	37.7	Very low	130 Å²	130	142.8 Å²	142.8	79%	0.788	77%	0.77	S	S	*	*			trans	-76.8	158.7	175	-164.5	0	0	0	0	112.2
506	P	39.6	Very low	38.7	Very low	117 Å²	117	139 Å²	139	76%	0.76	76%	0.759	S	S	*	*				-145.4	138.6	109.9	32.2	-12.6	0	0	0	117
507	S	37.5	Very low	39.8	Very low	92 Å²	92	135.8 Å²	135.8	64%	0.643	74%	0.742	S	S	*	*			trans	44.9	122.5	138	56.4	0	0	0	0	124.1
508	T	33.6	Very low	41.4	Very low	130 Å²	130	136.1 Å²	136.1	80%	0.798	74%	0.739	S	S	*	*			trans	57	100.2	132.3	61.2	0	0	0	0	119.1
509	D	37.7	Very low	42.9	Very low	144 Å²	144	129.2 Å²	129.2	77%	0.77	72%	0.72	S	S	*	*				-163.1	118.6	119.5	-121.6	-27.5	0	0	0	113.5
510	T	36.3	Very low	44.4	Very low	96 Å²	96	128.7 Å²	128.7	59%	0.589	71%	0.709	S	S	*	*			trans	54.9	92.6	134.1	45.9	0	0	0	0	121.4	D512	T510-D512 VanDerWaalsContact C-N 3.27Å; T510-D512 PolarHBondContact O-N 3.5Å
511	T	39	Very low	46.2	Very low	122 Å²	122	126.7 Å²	126.7	75%	0.748	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn		46.4	-14.9	123.2	36	0	0	0	0	123.7
512	D	42.7	Very low	47.6	Very low	140 Å²	140	121 Å²	121	75%	0.749	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.5	-15.6	178.4	-86.5	-30.9	0	0	0	114.3	T510 T516	T510-D512 VanDerWaalsContact C-N 3.27Å; T510-D512 PolarHBondContact O-N 3.5Å; D512-T516 PolarHBondContact O-OG1 3.19Å
513	K	41.4	Very low	49.4	Very low	178 Å²	178	118.2 Å²	118.2	77%	0.774	66%	0.657	S	S	*	*	H	α-helix	trans	-84	-15	176.7	-77.5	179.8	177.9	171.2	0	114.4	T516 S517	K513-T516 PolarHBondContact O-OG1 2.8Å; K513-S517 WeakPolarHBondContact O-CB 3.48Å; K513-S517 PolarHBondContact O-N 3.06Å
514	M	40.3	Very low	51.3	Low	156 Å²	156	115.8 Å²	115.8	77%	0.768	64%	0.643	S	S	*	*	H	α-helix	trans	-81.6	-30.1	-178.3	-163.7	155.5	160.4	0	0	112.1	L518	M514-L518 PolarHBondContact O-N 3.47Å; M514-L518 VanDerWaalsContact O-N 3.17Å
515	Q	45.8	Very low	53.2	Low	142 Å²	142	113.3 Å²	113.3	66%	0.664	63%	0.625	S	S	*	*	H	α-helix	trans	-70.3	-41.5	175.6	-135.5	87.8	11.5	0	0	111.8	L518 D519	Q515-L518 PolarHBondContact O-N 3.02Å; Q515-D519 PolarHBondContact O-N 3.24Å
516	T	52.1	Low	55.3	Low	91 Å²	91	113.8 Å²	113.8	56%	0.558	62%	0.617	S	S	*	*	H	α-helix	trans	-71.8	-33.4	178.8	39.3	0	0	0	0	112.7	D512 K513 E520	D512-T516 PolarHBondContact O-OG1 3.19Å; K513-T516 PolarHBondContact O-OG1 2.8Å; T516-E520 PolarHBondContact O-N 3.14Å
517	S	58	Low	57.4	Low	70 Å²	70	113.6 Å²	113.6	49%	0.49	61%	0.608	S	S	.	*	H	α-helix	trans	-68.4	-36.7	172.2	176.4	0	0	0	0	112.9	K513 V521	K513-S517 WeakPolarHBondContact O-CB 3.48Å; K513-S517 PolarHBondContact O-N 3.06Å; S517-V521 WeakPolarHBondContact O-CG2 3.33Å; S517-V521 PolarHBondContact O-N 3.25Å; S517-V521 VanDerWaalsContact O-N 3.1Å
518	L	63.3	Low	59.6	Low	125 Å²	125	114.7 Å²	114.7	65%	0.654	61%	0.606	S	S	*	*	H	α-helix	trans	-71.3	-37.9	-179.7	-157.5	80.8	0	0	0	111.3	M514 Q515 V521 M522	M514-L518 PolarHBondContact O-N 3.47Å; M514-L518 VanDerWaalsContact O-N 3.17Å; Q515-L518 PolarHBondContact O-N 3.02Å; L518-V521 PolarHBondContact O-N 3.29Å; L518-M522 VanDerWaalsContact O-CB 3.29Å; L518-M522 WeakPolarHBondContact O-CB 3.44Å; L518-M522 PolarHBondContact O-N 2.93Å
519	D	68	Low	62	Low	95 Å²	95	113.3 Å²	113.3	51%	0.508	59%	0.593	S	S	.	*	H	α-helix	trans	-67.5	-38.1	176.3	-107.6	-7.5	0	0	0	112.7	Q515 M522 K523	Q515-D519 PolarHBondContact O-N 3.24Å; D519-M522 PolarHBondContact O-N 2.98Å; D519-K523 WeakPolarHBondContact O-CG 3.28Å; D519-K523 PolarHBondContact O-N 3.41Å
520	E	68.9	Low	64.4	Low	114 Å²	114	108.4 Å²	108.4	53%	0.533	58%	0.575	S	S	.	*	H	α-helix	trans	-65.7	-43.7	173.8	-82.8	-65.2	132.6	0	0	112.1	T516 M522 K523 T524	T516-E520 PolarHBondContact O-N 3.14Å; E520-M522 VanDerWaalsContact C-N 3.33Å; E520-M522 PolarHBondContact O-N 3.46Å; E520-K523 PolarHBondContact O-N 3.23Å; E520-K523 IonicContact OE1-NZ 3.98Å; E520-T524 PolarHBondContact O-N 2.87Å; E520-T524 PolarHBondContact O-OG1 3.47Å
521	V	71.8	Confident	66.8	Low	79 Å²	79	107.4 Å²	107.4	48%	0.479	57%	0.572	S	S	.	*	H	α-helix	trans	-64.8	-37.6	175.7	173.4	0	0	0	0	111.1	S517 L518 T524 T525	S517-V521 WeakPolarHBondContact O-CG2 3.33Å; S517-V521 PolarHBondContact O-N 3.25Å; S517-V521 VanDerWaalsContact O-N 3.1Å; L518-V521 PolarHBondContact O-N 3.29Å; V521-T524 WeakPolarHBondContact CA-OG1 3.5Å; V521-T524 PolarHBondContact O-N 3.3Å; V521-T524 PolarHBondContact O-OG1 3.48Å; V521-T525 WeakPolarHBondContact O-CB 3.3Å; V521-T525 PolarHBondContact O-N 3.24Å; V521-T525 PolarHBondContact O-OG1 3.22Å
522	M	71.2	Confident	69.1	Low	96 Å²	96	108.8 Å²	108.8	47%	0.473	57%	0.568	S	S	.	*	H	α-helix	trans	-71.1	-33.8	177.6	-159.7	174.6	61.3	0	0	112	L518 D519 E520 K526	L518-M522 VanDerWaalsContact O-CB 3.29Å; L518-M522 WeakPolarHBondContact O-CB 3.44Å; L518-M522 PolarHBondContact O-N 2.93Å; D519-M522 PolarHBondContact O-N 2.98Å; E520-M522 VanDerWaalsContact C-N 3.33Å; E520-M522 PolarHBondContact O-N 3.46Å; M522-K526 WeakPolarHBondContact O-CB 3.04Å; M522-K526 WeakPolarHBondContact O-CG 3.32Å; M522-K526 PolarHBondContact O-N 3.2Å
523	K	75.7	Confident	71.4	Confident	124 Å²	124	105.5 Å²	105.5	54%	0.539	55%	0.552	S	S	.	*	H	α-helix	trans	-65.8	-47.8	170.4	-80.5	178.1	-175.1	169.3	0	112.2	D519 E520 T525 K526 I527	D519-K523 WeakPolarHBondContact O-CG 3.28Å; D519-K523 PolarHBondContact O-N 3.41Å; E520-K523 PolarHBondContact O-N 3.23Å; E520-K523 IonicContact OE1-NZ 3.98Å; K523-T525 VanDerWaalsContact C-N 3.33Å; K523-T525 PolarHBondContact O-N 3.48Å; K523-K526 PolarHBondContact O-N 3.29Å; K523-I527 WeakPolarHBondContact O-CG1 3.37Å; K523-I527 PolarHBondContact O-N 3.01Å
524	T	76.9	Confident	73.6	Confident	73 Å²	73	99.3 Å²	99.3	45%	0.448	53%	0.534	S	S	.	.	H	α-helix	trans	-63	-40.4	177.9	15.7	0	0	0	0	111.5	E520 V521 K526 I527 I528	E520-T524 PolarHBondContact O-N 2.87Å; E520-T524 PolarHBondContact O-OG1 3.47Å; V521-T524 WeakPolarHBondContact CA-OG1 3.5Å; V521-T524 PolarHBondContact O-N 3.3Å; V521-T524 PolarHBondContact O-OG1 3.48Å; T524-K526 PolarHBondContact O-N 3.25Å; T524-I527 PolarHBondContact O-N 2.91Å; T524-I528 VanDerWaalsContact O-CG1 3.32Å; T524-I528 WeakPolarHBondContact O-CG1 3.13Å; T524-I528 PolarHBondContact O-N 3.23Å
525	T	79.2	Confident	75.9	Confident	65 Å²	65	96.4 Å²	96.4	40%	0.399	53%	0.526	S	S	.	.	H	α-helix	trans	-63.7	-42	176.5	-54.1	0	0	0	0	111.7	V521 K523 I527 I528 I529	V521-T525 WeakPolarHBondContact O-CB 3.3Å; V521-T525 PolarHBondContact O-N 3.24Å; V521-T525 PolarHBondContact O-OG1 3.22Å; K523-T525 VanDerWaalsContact C-N 3.33Å; K523-T525 PolarHBondContact O-N 3.48Å; T525-I527 VanDerWaalsContact C-N 3.33Å; T525-I527 PolarHBondContact O-N 3.4Å; T525-I528 PolarHBondContact O-N 2.9Å; T525-I529 HydrophobicContact CG2-CD1 3.83Å; T525-I529 HydrophobicContact CG2-CG1 4.42Å; T525-I529 WeakPolarHBondContact O-CB 3.44Å; T525-I529 VanDerWaalsContact O-CG1 3.27Å; T525-I529 WeakPolarHBondContact O-CG1 3.45Å; T525-I529 PolarHBondContact O-N 2.93Å
526	K	82	Confident	78.1	Confident	141 Å²	141	92.9 Å²	92.9	61%	0.613	51%	0.514	S	S	*	.	H	α-helix	trans	-62.2	-38.2	173.8	-80.4	179.7	179.6	177.4	0	112.6	M522 K523 T524 G530	M522-K526 WeakPolarHBondContact O-CB 3.04Å; M522-K526 WeakPolarHBondContact O-CG 3.32Å; M522-K526 PolarHBondContact O-N 3.2Å; K523-K526 PolarHBondContact O-N 3.29Å; T524-K526 PolarHBondContact O-N 3.25Å; K526-G530 PolarHBondContact O-N 2.74Å
527	I	83.2	Confident	79.9	Confident	112 Å²	112	94.1 Å²	94.1	57%	0.574	52%	0.516	S	S	*	.	H	α-helix	trans	-65.8	-45.6	176.1	-67.6	165.5	0	0	0	110.5	K523 T524 T525 G530 C531	K523-I527 WeakPolarHBondContact O-CG1 3.37Å; K523-I527 PolarHBondContact O-N 3.01Å; T524-I527 PolarHBondContact O-N 2.91Å; T525-I527 VanDerWaalsContact C-N 3.33Å; T525-I527 PolarHBondContact O-N 3.4Å; I527-G530 PolarHBondContact O-N 3.13Å; I527-C531 WeakPolarHBondContact O-CB 3.27Å; I527-C531 PolarHBondContact O-N 3.42Å
528	I	83.8	Confident	81.4	Confident	116 Å²	116	96 Å²	96	60%	0.595	52%	0.52	S	S	*	.	H	α-helix	trans	-63.2	-45.8	179.3	-67.1	165.9	0	0	0	110.9	T524 T525 G530 C531 F532	T524-I528 VanDerWaalsContact O-CG1 3.32Å; T524-I528 WeakPolarHBondContact O-CG1 3.13Å; T524-I528 PolarHBondContact O-N 3.23Å; T525-I528 PolarHBondContact O-N 2.9Å; I528-G530 VanDerWaalsContact C-N 3.34Å; I528-G530 PolarHBondContact O-N 2.84Å; I528-C531 PolarHBondContact O-N 3.48Å; I528-F532 WeakPolarHBondContact O-CB 3.4Å; I528-F532 PolarHBondContact O-N 3.01Å
529	I	85.4	Confident	82.6	Confident	101 Å²	101	92.4 Å²	92.4	52%	0.518	51%	0.509	S	S	.	.	H	α-helix	trans	-62.3	-43.7	175.8	-65.9	168.3	0	0	0	110.3	T525 C531 F532 V533	T525-I529 HydrophobicContact CG2-CD1 3.83Å; T525-I529 HydrophobicContact CG2-CG1 4.42Å; T525-I529 WeakPolarHBondContact O-CB 3.44Å; T525-I529 VanDerWaalsContact O-CG1 3.27Å; T525-I529 WeakPolarHBondContact O-CG1 3.45Å; T525-I529 PolarHBondContact O-N 2.93Å; I529-C531 PolarHBondContact O-N 2.76Å; I529-F532 PolarHBondContact O-N 2.89Å; I529-V533 HydrophobicContact CG2-CG2 4.33Å; I529-V533 VanDerWaalsContact O-CG2 3.3Å; I529-V533 WeakPolarHBondContact O-CG2 3.2Å; I529-V533 PolarHBondContact O-N 2.77Å
530	G	86.5	Confident	83.7	Confident	40 Å²	40	90 Å²	90	41%	0.412	50%	0.502	S	S	.	.	H	α-helix	trans	-59.7	-44.7	176.5	0	0	0	0	0	112.9	K526 I527 I528 V533 A534	K526-G530 PolarHBondContact O-N 2.74Å; I527-G530 PolarHBondContact O-N 3.13Å; I528-G530 VanDerWaalsContact C-N 3.34Å; I528-G530 PolarHBondContact O-N 2.84Å; G530-V533 PolarHBondContact O-N 2.95Å; G530-A534 VanDerWaalsContact O-CB 3.32Å; G530-A534 WeakPolarHBondContact O-CB 3.45Å; G530-A534 PolarHBondContact O-N 2.83Å
531	C	86.7	Confident	84.6	Confident	76 Å²	76	86.9 Å²	86.9	51%	0.514	50%	0.496	S	S	.	.	H	α-helix	trans	-63.5	-42.6	174.3	-81.9	0	0	0	0	112	I527 I528 I529 A534 V535	I527-C531 WeakPolarHBondContact O-CB 3.27Å; I527-C531 PolarHBondContact O-N 3.42Å; I528-C531 PolarHBondContact O-N 3.48Å; I529-C531 PolarHBondContact O-N 2.76Å; C531-A534 PolarHBondContact O-N 3.45Å; C531-V535 WeakPolarHBondContact O-CB 3.47Å; C531-V535 VanDerWaalsContact O-CG2 3.26Å; C531-V535 WeakPolarHBondContact O-CG2 3.3Å; C531-V535 PolarHBondContact O-N 3.42Å
532	F	87.8	Confident	85.5	Confident	150 Å²	150	89.2 Å²	89.2	66%	0.658	50%	0.503	S	S	*	.	H	α-helix	trans	-65	-40.7	178.9	-163.7	-94.7	0	0	0	111.9	I528 I529 T536	I528-F532 WeakPolarHBondContact O-CB 3.4Å; I528-F532 PolarHBondContact O-N 3.01Å; I529-F532 PolarHBondContact O-N 2.89Å; F532-T536 HydrophobicContact CD1-CG2 4.14Å; F532-T536 HydrophobicContact CE1-CG2 3.9Å; F532-T536 HydrophobicContact CZ-CG2 4.38Å; F532-T536 WeakPolarHBondContact O-CB 3.42Å; F532-T536 VanDerWaalsContact O-CG2 3.3Å; F532-T536 WeakPolarHBondContact O-CG2 3.47Å; F532-T536 PolarHBondContact O-N 3.14Å; F532-T536 PolarHBondContact O-OG1 3.11Å
533	V	90.9	Very high	86.4	Confident	71 Å²	71	90.5 Å²	90.5	43%	0.43	51%	0.511	S	S	.	.	H	α-helix	trans	-66.4	-41.6	174.3	175.1	0	0	0	0	111.1	I529 G530 T536 L537	I529-V533 HydrophobicContact CG2-CG2 4.33Å; I529-V533 VanDerWaalsContact O-CG2 3.3Å; I529-V533 WeakPolarHBondContact O-CG2 3.2Å; I529-V533 PolarHBondContact O-N 2.77Å; G530-V533 PolarHBondContact O-N 2.95Å; V533-T536 WeakPolarHBondContact CA-OG1 3.49Å; V533-T536 PolarHBondContact O-N 2.93Å; V533-T536 PolarHBondContact O-OG1 2.9Å; V533-L537 HydrophobicContact CG1-CD1 3.94Å; V533-L537 HydrophobicContact CG1-CG 4.4Å; V533-L537 WeakPolarHBondContact O-CB 3.32Å; V533-L537 VanDerWaalsContact O-CG 3.32Å; V533-L537 WeakPolarHBondContact O-CG 3.48Å; V533-L537 PolarHBondContact O-N 3.42Å
534	A	87.1	Confident	86.9	Confident	48 Å²	48	88.7 Å²	88.7	40%	0.397	51%	0.506	S	S	.	.	H	α-helix	trans	-64.4	-43.1	177.3	0	0	0	0	0	112.4	G530 C531 L537 L538	G530-A534 VanDerWaalsContact O-CB 3.32Å; G530-A534 WeakPolarHBondContact O-CB 3.45Å; G530-A534 PolarHBondContact O-N 2.83Å; C531-A534 PolarHBondContact O-N 3.45Å; A534-L537 PolarHBondContact O-N 3.42Å; A534-L538 WeakPolarHBondContact O-CB 3.02Å; A534-L538 WeakPolarHBondContact O-CG 3.01Å; A534-L538 PolarHBondContact O-N 3.29Å
535	V	90.1	Very high	87.4	Confident	96 Å²	96	88.9 Å²	88.9	58%	0.582	51%	0.507	S	S	*	.	H	α-helix	trans	-66.1	-42.4	177.7	171.3	0	0	0	0	111.1	C531 L538 A539	C531-V535 WeakPolarHBondContact O-CB 3.47Å; C531-V535 VanDerWaalsContact O-CG2 3.26Å; C531-V535 WeakPolarHBondContact O-CG2 3.3Å; C531-V535 PolarHBondContact O-N 3.42Å; V535-L538 PolarHBondContact O-N 3.02Å; V535-A539 WeakPolarHBondContact O-CB 3.42Å; V535-A539 PolarHBondContact O-N 3.24Å
536	T	90.6	Very high	87.6	Confident	67 Å²	67	90.7 Å²	90.7	41%	0.411	51%	0.51	S	S	.	.	H	α-helix	trans	-67.4	-38.8	177.6	49.6	0	0	0	0	112.2	F532 V533 A539 A540	F532-T536 HydrophobicContact CD1-CG2 4.14Å; F532-T536 HydrophobicContact CE1-CG2 3.9Å; F532-T536 HydrophobicContact CZ-CG2 4.38Å; F532-T536 WeakPolarHBondContact O-CB 3.42Å; F532-T536 VanDerWaalsContact O-CG2 3.3Å; F532-T536 WeakPolarHBondContact O-CG2 3.47Å; F532-T536 PolarHBondContact O-N 3.14Å; F532-T536 PolarHBondContact O-OG1 3.11Å; V533-T536 WeakPolarHBondContact CA-OG1 3.49Å; V533-T536 PolarHBondContact O-N 2.93Å; V533-T536 PolarHBondContact O-OG1 2.9Å; T536-A539 PolarHBondContact O-N 2.94Å; T536-A540 WeakPolarHBondContact O-CB 3.49Å; T536-A540 PolarHBondContact O-N 2.78Å
537	L	89.9	Confident	87.8	Confident	117 Å²	117	91.5 Å²	91.5	61%	0.613	51%	0.51	S	S	*	.	H	α-helix	trans	-65.4	-41.4	173.3	-75.6	173.5	0	0	0	112.7	V533 A534 A540 A541	V533-L537 HydrophobicContact CG1-CD1 3.94Å; V533-L537 HydrophobicContact CG1-CG 4.4Å; V533-L537 WeakPolarHBondContact O-CB 3.32Å; V533-L537 VanDerWaalsContact O-CG 3.32Å; V533-L537 WeakPolarHBondContact O-CG 3.48Å; V533-L537 PolarHBondContact O-N 3.42Å; A534-L537 PolarHBondContact O-N 3.42Å; L537-A540 PolarHBondContact O-N 2.81Å; L537-A541 WeakPolarHBondContact O-CB 3.5Å; L537-A541 PolarHBondContact O-N 3.34Å
538	L	90.4	Very high	87.8	Confident	109 Å²	109	92.4 Å²	92.4	57%	0.571	51%	0.51	S	S	*	.	H	α-helix	trans	-65	-42	175.3	-77.6	170.5	0	0	0	111.7	A534 V535 A541 M542	A534-L538 WeakPolarHBondContact O-CB 3.02Å; A534-L538 WeakPolarHBondContact O-CG 3.01Å; A534-L538 PolarHBondContact O-N 3.29Å; V535-L538 PolarHBondContact O-N 3.02Å; L538-A541 PolarHBondContact O-N 3.15Å; L538-M542 WeakPolarHBondContact O-CB 3.27Å; L538-M542 VanDerWaalsContact O-CG 3.25Å; L538-M542 WeakPolarHBondContact O-CG 3.49Å; L538-M542 PolarHBondContact O-N 2.78Å
539	A	88.8	Confident	87.7	Confident	51 Å²	51	91.7 Å²	91.7	42%	0.421	51%	0.507	S	S	.	.	H	α-helix	trans	-62.3	-44	175.2	0	0	0	0	0	111.7	V535 T536 M542 L543	V535-A539 WeakPolarHBondContact O-CB 3.42Å; V535-A539 PolarHBondContact O-N 3.24Å; T536-A539 PolarHBondContact O-N 2.94Å; A539-M542 PolarHBondContact O-N 3.2Å; A539-L543 WeakPolarHBondContact O-CG 3.42Å; A539-L543 PolarHBondContact O-N 3.49Å
540	A	89.9	Confident	87.5	Confident	45 Å²	45	90 Å²	90	37%	0.372	49%	0.494	S	S	.	.	H	α-helix	trans	-62.8	-43.8	175.6	0	0	0	0	0	112	T536 L537 M542 L543 I544	T536-A540 WeakPolarHBondContact O-CB 3.49Å; T536-A540 PolarHBondContact O-N 2.78Å; L537-A540 PolarHBondContact O-N 2.81Å; A540-M542 VanDerWaalsContact C-N 3.34Å; A540-M542 PolarHBondContact O-N 2.92Å; A540-L543 PolarHBondContact O-N 3.45Å; A540-I544 VanDerWaalsContact O-CG1 3.3Å; A540-I544 WeakPolarHBondContact O-CG1 3.37Å; A540-I544 PolarHBondContact O-N 2.02Å
541	A	89.3	Confident	87.1	Confident	47 Å²	47	93.1 Å²	93.1	39%	0.388	50%	0.496	S	S	.	.	H	α-helix	trans	-61.3	-42.8	175.7	0	0	0	0	0	111.8	L537 L538 I544 V545	L537-A541 WeakPolarHBondContact O-CB 3.5Å; L537-A541 PolarHBondContact O-N 3.34Å; L538-A541 PolarHBondContact O-N 3.15Å; A541-I544 PolarHBondContact O-N 2.84Å; A541-V545 VanDerWaalsContact O-CG2 3.28Å; A541-V545 WeakPolarHBondContact O-CG2 3.25Å; A541-V545 PolarHBondContact O-N 2.82Å
542	M	89.4	Confident	86.6	Confident	128 Å²	128	97.7 Å²	97.7	63%	0.631	50%	0.503	S	S	*	.	H	α-helix	trans	-64.6	-40.5	176.5	-72.7	-66.3	153.3	0	0	112.1	L538 A539 A540 V545 F546	L538-M542 WeakPolarHBondContact O-CB 3.27Å; L538-M542 VanDerWaalsContact O-CG 3.25Å; L538-M542 WeakPolarHBondContact O-CG 3.49Å; L538-M542 PolarHBondContact O-N 2.78Å; A539-M542 PolarHBondContact O-N 3.2Å; A540-M542 VanDerWaalsContact C-N 3.34Å; A540-M542 PolarHBondContact O-N 2.92Å; M542-V545 PolarHBondContact O-N 2.93Å; M542-F546 VanDerWaalsContact O-CB 3.32Å; M542-F546 WeakPolarHBondContact O-CB 3.18Å; M542-F546 PolarHBondContact O-N 3.36Å
543	L	90.1	Very high	85.7	Confident	123 Å²	123	92.6 Å²	92.6	64%	0.644	48%	0.481	S	S	*	.	H	α-helix	trans	-63.5	-41.5	174.3	-75	171.6	0	0	0	112.2	A539 A540 F546 Y547	A539-L543 WeakPolarHBondContact O-CG 3.42Å; A539-L543 PolarHBondContact O-N 3.49Å; A540-L543 PolarHBondContact O-N 3.45Å; L543-F546 PolarHBondContact O-N 3.33Å; L543-Y547 WeakPolarHBondContact O-CB 3.32Å; L543-Y547 PolarHBondContact O-N 3.25Å
544	I	87.7	Confident	84.7	Confident	87 Å²	87	94.6 Å²	94.6	45%	0.446	49%	0.485	S	S	.	.	H	α-helix	trans	-65.3	-41.9	176.3	-67.2	164.7	0	0	0	110.8	A540 A541 Y547 K548	A540-I544 VanDerWaalsContact O-CG1 3.3Å; A540-I544 WeakPolarHBondContact O-CG1 3.37Å; A540-I544 PolarHBondContact O-N 2.02Å; A541-I544 PolarHBondContact O-N 2.84Å; I544-Y547 PolarHBondContact O-N 2.99Å; I544-K548 HydrophobicContact CG2-CD 4.37Å; I544-K548 WeakPolarHBondContact O-CB 3.03Å; I544-K548 WeakPolarHBondContact O-CG 3.22Å; I544-K548 PolarHBondContact O-N 3.09Å
545	V	86.3	Confident	83.6	Confident	77 Å²	77	97.7 Å²	97.7	47%	0.467	49%	0.492	S	S	.	.	H	α-helix	trans	-63.1	-45.4	175.9	169.9	0	0	0	0	110.3	A541 M542 Y547 K548 L549	A541-V545 VanDerWaalsContact O-CG2 3.28Å; A541-V545 WeakPolarHBondContact O-CG2 3.25Å; A541-V545 PolarHBondContact O-N 2.82Å; M542-V545 PolarHBondContact O-N 2.93Å; V545-Y547 PolarHBondContact O-N 3.02Å; V545-K548 PolarHBondContact O-N 3.28Å; V545-L549 HydrophobicContact CG1-CD1 3.75Å; V545-L549 HydrophobicContact CG1-CG 4.38Å; V545-L549 WeakPolarHBondContact O-CB 3.49Å; V545-L549 WeakPolarHBondContact O-CG 3.4Å; V545-L549 PolarHBondContact O-N 3.32Å
546	F	83.6	Confident	82.1	Confident	102 Å²	102	102.4 Å²	102.4	45%	0.447	50%	0.499	S	S	.	.	H	α-helix	trans	-61.5	-44.6	176.8	-167.2	-97.5	0	0	0	111.8	M249 M542 L543 K548 L549 R550	M249-F546 HydrophobicContact CE-CE2 3.73Å; M249-F546 HydrophobicContact CE-CZ 4.47Å; M542-F546 VanDerWaalsContact O-CB 3.32Å; M542-F546 WeakPolarHBondContact O-CB 3.18Å; M542-F546 PolarHBondContact O-N 3.36Å; L543-F546 PolarHBondContact O-N 3.33Å; F546-K548 PolarHBondContact O-N 2.85Å; F546-L549 PolarHBondContact O-N 3.27Å; F546-R550 WeakPolarHBondContact O-CB 3.4Å; F546-R550 PolarHBondContact O-N 2.88Å
547	Y	85.7	Confident	80.4	Confident	158 Å²	158	100.3 Å²	100.3	62%	0.62	49%	0.487	S	S	*	.	H	α-helix	trans	-62.8	-42.6	175.7	-174.8	-103.7	0	0	0	112.2	L543 I544 V545 R550 K551	L543-Y547 WeakPolarHBondContact O-CB 3.32Å; L543-Y547 PolarHBondContact O-N 3.25Å; I544-Y547 PolarHBondContact O-N 2.99Å; V545-Y547 PolarHBondContact O-N 3.02Å; Y547-R550 PolarHBondContact O-N 3.22Å; Y547-K551 WeakPolarHBondContact O-CB 3.48Å; Y547-K551 PolarHBondContact O-N 2.99Å
548	K	83.2	Confident	78.7	Confident	131 Å²	131	99.2 Å²	99.2	57%	0.57	49%	0.485	S	S	*	.	H	α-helix	trans	-65.4	-39.6	175.2	-79.9	-176.1	176	177.9	0	112.3	I544 V545 F546 R552	I544-K548 HydrophobicContact CG2-CD 4.37Å; I544-K548 WeakPolarHBondContact O-CB 3.03Å; I544-K548 WeakPolarHBondContact O-CG 3.22Å; I544-K548 PolarHBondContact O-N 3.09Å; V545-K548 PolarHBondContact O-N 3.28Å; F546-K548 PolarHBondContact O-N 2.85Å; K548-R552 WeakPolarHBondContact O-CB 3.4Å; K548-R552 WeakPolarHBondContact O-CG 2.97Å; K548-R552 PolarHBondContact O-N 3.29Å
549	L	81.5	Confident	76.6	Confident	102 Å²	102	97.3 Å²	97.3	53%	0.534	48%	0.478	S	S	.	.	H	α-helix	trans	-64.8	-46.9	175.5	-77.2	166	0	0	0	110.7	V545 F546 K551 R552 H553	V545-L549 HydrophobicContact CG1-CD1 3.75Å; V545-L549 HydrophobicContact CG1-CG 4.38Å; V545-L549 WeakPolarHBondContact O-CB 3.49Å; V545-L549 WeakPolarHBondContact O-CG 3.4Å; V545-L549 PolarHBondContact O-N 3.32Å; F546-L549 PolarHBondContact O-N 3.27Å; L549-K551 PolarHBondContact O-N 3.21Å; L549-R552 PolarHBondContact O-N 2.83Å; L549-H553 WeakPolarHBondContact O-CB 3.35Å; L549-H553 PolarHBondContact O-N 3.29Å
550	R	82	Confident	74.5	Confident	64 Å²	64	99 Å²	99	24%	0.242	48%	0.483	C	S	.	.	H	α-helix	trans	-61.4	-42.9	176.5	-169.8	174.3	-175.6	148.6	5	112.1	F546 Y547 H553 Q554	F546-R550 WeakPolarHBondContact O-CB 3.4Å; F546-R550 PolarHBondContact O-N 2.88Å; Y547-R550 PolarHBondContact O-N 3.22Å; R550-H553 WeakPolarHBondContact O-CB 3.26Å; R550-H553 PolarHBondContact O-N 3.49Å; R550-Q554 PolarHBondContact O-N 2.93Å
551	K	77.6	Confident	72.3	Confident	107 Å²	107	99.6 Å²	99.6	47%	0.465	49%	0.488	S	S	.	.	H	α-helix	trans	-64.8	-39.9	175.8	-170.1	172.8	-178.1	175.1	0	112	Y547 L549 H553 Q554 Q555	Y547-K551 WeakPolarHBondContact O-CB 3.48Å; Y547-K551 PolarHBondContact O-N 2.99Å; L549-K551 PolarHBondContact O-N 3.21Å; K551-H553 VanDerWaalsContact C-N 3.32Å; K551-Q554 PolarHBondContact O-N 3.49Å; K551-Q555 WeakPolarHBondContact O-CB 3.35Å; K551-Q555 WeakPolarHBondContact O-CG 3.32Å; K551-Q555 PolarHBondContact O-N 3.28Å
552	R	76	Confident	70.1	Confident	172 Å²	172	100.1 Å²	100.1	65%	0.649	49%	0.492	S	S	*	.	H	α-helix	trans	-64.2	-37.4	172	-79.1	-179.6	177.3	179.1	-0.3	111.8	K548 L549 Q555 R556	K548-R552 WeakPolarHBondContact O-CB 3.4Å; K548-R552 WeakPolarHBondContact O-CG 2.97Å; K548-R552 PolarHBondContact O-N 3.29Å; L549-R552 PolarHBondContact O-N 2.83Å; R552-Q555 PolarHBondContact O-N 3.04Å; R552-R556 WeakPolarHBondContact O-CB 3.06Å; R552-R556 PolarHBondContact O-N 3.45Å
553	H	69.9	Low	67.8	Low	42 Å²	42	102.2 Å²	102.2	19%	0.194	49%	0.493	C	S	.	.	H	α-helix	trans	-66.6	-44.3	177.1	-151.5	-76.6	0	0	0	111.8	W247 E269 E293 L549 R550 K551 R556 S557	W247-H553 AromaticContact CH2-ND1 3.83Å; W247-H553 AromaticContact CZ2-CE1 3.48Å; W247-H553 VanDerWaalsContact CZ2-CE1 3.48Å; W247-H553 WeakPolarHBondContact CZ2-CE1 3.42Å; W247-H553 AromaticContact CZ2-ND1 3.52Å; E269-H553 IonicContact OE1-CE1 2.84Å; E269-H553 PolarHBondContact OE1-CE1 2.04Å; E269-H553 IonicContact OE1-NE2 3.94Å; E269-H553 PolarHBondContact OE1-NE2 2.82Å; E269-H553 IonicContact OE2-CE1 2.76Å; E293-H553 IonicContact OE1-NE2 3.7Å; L549-H553 WeakPolarHBondContact O-CB 3.35Å; L549-H553 PolarHBondContact O-N 3.29Å; R550-H553 WeakPolarHBondContact O-CB 3.26Å; R550-H553 PolarHBondContact O-N 3.49Å; K551-H553 VanDerWaalsContact C-N 3.32Å; H553-R556 PolarHBondContact O-N 2.92Å; H553-S557 WeakPolarHBondContact O-CB 3.49Å; H553-S557 PolarHBondContact O-N 2.95Å; H553-S557 PolarHBondContact O-OG 2.9Å
554	Q	69.1	Low	65.5	Low	114 Å²	114	101.4 Å²	101.4	53%	0.533	49%	0.493	S	S	.	.	H	α-helix	trans	-62.5	-42.3	173.6	-77.5	-178.2	-34.2	0	0	111.8	R550 K551 S557 T558	R550-Q554 PolarHBondContact O-N 2.93Å; K551-Q554 PolarHBondContact O-N 3.49Å; Q554-S557 PolarHBondContact O-N 3.48Å; Q554-T558 WeakPolarHBondContact O-CG2 3.33Å; Q554-T558 PolarHBondContact O-N 3.43Å; Q554-T558 PolarHBondContact O-OG1 3.47Å
555	Q	64.9	Low	63.2	Low	113 Å²	113	103.2 Å²	103.2	53%	0.528	51%	0.508	S	S	.	.	H	α-helix	trans	-67	-35.4	175.9	-75.6	-180	-24.2	0	0	113.2	K551 R552 T558 V559	K551-Q555 WeakPolarHBondContact O-CB 3.35Å; K551-Q555 WeakPolarHBondContact O-CG 3.32Å; K551-Q555 PolarHBondContact O-N 3.28Å; R552-Q555 PolarHBondContact O-N 3.04Å; Q555-T558 PolarHBondContact O-OG1 3.34Å; Q555-T558 VanDerWaalsContact O-OG1 3.05Å; Q555-V559 VanDerWaalsContact O-CG2 3.23Å; Q555-V559 WeakPolarHBondContact O-CG2 3.32Å; Q555-V559 PolarHBondContact O-N 3.06Å
556	R	57.9	Low	60.8	Low	195 Å²	195	107.3 Å²	107.3	74%	0.736	52%	0.523	S	S	*	.	H	α-helix	trans	-70.6	-42.2	173.9	-81.5	-176.8	173.6	-178.9	-3.3	111.3	R552 H553 T558 V559 T560	R552-R556 WeakPolarHBondContact O-CB 3.06Å; R552-R556 PolarHBondContact O-N 3.45Å; H553-R556 PolarHBondContact O-N 2.92Å; R556-T558 VanDerWaalsContact C-N 3.33Å; R556-T558 PolarHBondContact O-N 3.22Å; R556-V559 PolarHBondContact O-N 3.17Å; R556-T560 PolarHBondContact O-N 2.94Å; R556-T560 PolarHBondContact O-OG1 2.93Å
557	S	54.3	Low	58.5	Low	23 Å²	23	109 Å²	109	16%	0.161	54%	0.535	C	S	.	.	H	α-helix	trans	-61.4	-37.8	176.4	-82.2	0	0	0	0	112.9	K245 H553 Q554 A561	K245-S557 PolarHBondContact NZ-OG 3.44Å; H553-S557 WeakPolarHBondContact O-CB 3.49Å; H553-S557 PolarHBondContact O-N 2.95Å; H553-S557 PolarHBondContact O-OG 2.9Å; Q554-S557 PolarHBondContact O-N 3.48Å; S557-A561 WeakPolarHBondContact O-CB 3.29Å; S557-A561 PolarHBondContact O-N 2.7Å
558	T	54.5	Low	56.1	Low	94 Å²	94	109.1 Å²	109.1	58%	0.577	54%	0.544	S	S	*	.	H	α-helix	trans	-71.6	-33.4	175	53.4	0	0	0	0	112.9	Q554 Q555 R556 A562	Q554-T558 WeakPolarHBondContact O-CG2 3.33Å; Q554-T558 PolarHBondContact O-N 3.43Å; Q554-T558 PolarHBondContact O-OG1 3.47Å; Q555-T558 PolarHBondContact O-OG1 3.34Å; Q555-T558 VanDerWaalsContact O-OG1 3.05Å; R556-T558 VanDerWaalsContact C-N 3.33Å; R556-T558 PolarHBondContact O-N 3.22Å; T558-A562 VanDerWaalsContact O-CB 3.31Å; T558-A562 WeakPolarHBondContact O-CB 3.43Å; T558-A562 PolarHBondContact O-N 3.45Å
559	V	47.5	Very low	53.5	Low	69 Å²	69	112.1 Å²	112.1	42%	0.418	56%	0.56	S	S	.	*	H	α-helix	trans	-74.9	-36.5	176.3	174.4	0	0	0	0	112	Q555 R556 A562 R563	Q555-V559 VanDerWaalsContact O-CG2 3.23Å; Q555-V559 WeakPolarHBondContact O-CG2 3.32Å; Q555-V559 PolarHBondContact O-N 3.06Å; R556-V559 PolarHBondContact O-N 3.17Å; V559-A562 PolarHBondContact O-N 3.46Å; V559-R563 WeakPolarHBondContact O-CB 3.21Å; V559-R563 WeakPolarHBondContact O-CG 3.42Å; V559-R563 PolarHBondContact O-N 2.72Å
560	T	43.9	Very low	51.4	Low	86 Å²	86	113.5 Å²	113.5	53%	0.528	57%	0.573	S	S	.	*	H	α-helix	trans	-72.7	-38.1	175.6	-44.2	0	0	0	0	111.1	R556 A562 R563 T564	R556-T560 PolarHBondContact O-N 2.94Å; R556-T560 PolarHBondContact O-OG1 2.93Å; T560-A562 VanDerWaalsContact C-N 3.32Å; T560-A562 PolarHBondContact O-N 3.01Å; T560-R563 PolarHBondContact O-N 3.3Å; T560-T564 PolarHBondContact O-N 3.46Å; T560-T564 PolarHBondContact O-OG1 3.1Å; T560-T564 VanDerWaalsContact O-OG1 3.04Å
561	A	44.9	Very low	49.2	Very low	57 Å²	57	118 Å²	118	47%	0.471	60%	0.602	S	S	.	*	H	α-helix	trans	-68	-28.3	173	0	0	0	0	0	113.3	S557 V565	S557-A561 WeakPolarHBondContact O-CB 3.29Å; S557-A561 PolarHBondContact O-N 2.7Å; A561-V565 WeakPolarHBondContact O-CG2 3.46Å
562	A	41.5	Very low	47.1	Very low	58 Å²	58	121.3 Å²	121.3	48%	0.479	62%	0.619	S	S	.	*	H	α-helix	trans	-74.9	-33.3	171.3	0	0	0	0	0	112.4	T558 V559 T560	T558-A562 VanDerWaalsContact O-CB 3.31Å; T558-A562 WeakPolarHBondContact O-CB 3.43Å; T558-A562 PolarHBondContact O-N 3.45Å; V559-A562 PolarHBondContact O-N 3.46Å; T560-A562 VanDerWaalsContact C-N 3.32Å; T560-A562 PolarHBondContact O-N 3.01Å
563	R	40.8	Very low	45.1	Very low	172 Å²	172	120.6 Å²	120.6	65%	0.649	63%	0.628	S	S	*	*	H	α-helix	trans	-81.9	-24.5	-179.2	-79.9	-179.6	170	159.6	-3.2	114.9	V559 T560 V565	V559-R563 WeakPolarHBondContact O-CB 3.21Å; V559-R563 WeakPolarHBondContact O-CG 3.42Å; V559-R563 PolarHBondContact O-N 2.72Å; T560-R563 PolarHBondContact O-N 3.3Å; R563-V565 VanDerWaalsContact C-N 3.29Å
564	T	42	Very low	43.4	Very low	106 Å²	106	125.9 Å²	125.9	65%	0.65	66%	0.656	S	S	*	*	S	Bend	trans	-82.4	-6.6	174.8	50.1	0	0	0	0	113.5	T560	T560-T564 PolarHBondContact O-N 3.46Å; T560-T564 PolarHBondContact O-OG1 3.1Å; T560-T564 VanDerWaalsContact O-OG1 3.04Å
565	V	40.3	Very low	41.9	Very low	125 Å²	125	126.4 Å²	126.4	76%	0.758	67%	0.669	S	S	*	*	S	Bend	trans	-97.3	-7.4	174.2	178.4	0	0	0	0	112.3	A561 R563	A561-V565 WeakPolarHBondContact O-CG2 3.46Å; R563-V565 VanDerWaalsContact C-N 3.29Å
566	E	35	Very low	40.3	Very low	164 Å²	164	125.9 Å²	125.9	77%	0.766	68%	0.684	S	S	*	*	S	Bend	trans	-102.7	15.4	-176.2	-93.1	-174.5	167.7	0	0	115.4
567	I	35	Very low	39.3	Very low	138 Å²	138	121.3 Å²	121.3	71%	0.708	69%	0.688	S	S	*	*			trans	-130.4	73.6	-178.1	-48.2	175.3	0	0	0	109.9
568	I	35.3	Very low	38.4	Very low	159 Å²	159	125 Å²	125	82%	0.815	72%	0.72	S	S	*	*			trans	-169.7	86	142	-74.4	132.6	0	0	0	104.4
569	Q	30.6	Very low	37.5	Very low	194 Å²	194	126.6 Å²	126.6	91%	0.907	73%	0.732	S	S	*	*			trans	-127.9	111	152.8	-94.6	-170.2	-66	0	0	106
570	V	37.1	Very low	37.1	Very low	132 Å²	132	127.9 Å²	127.9	80%	0.8	75%	0.75	S	S	*	*			trans	-75.3	121.8	170.5	175.8	0	0	0	0	105.9	E572	V570-E572 PolarHBondContact O-N 3.17Å
571	D	34.2	Very low	36.7	Very low	157 Å²	157	128.5 Å²	128.5	84%	0.84	76%	0.764	S	S	*	*			trans	-58.2	127.3	179.3	-79	-49.4	0	0	0	111.3
572	E	33.9	Very low	36.3	Very low	178 Å²	178	129.9 Å²	129.9	83%	0.832	78%	0.775	S	S	*	*			trans	-122.1	104.8	174.5	-160.8	178.2	-173.6	0	0	107.4	V570	V570-E572 PolarHBondContact O-N 3.17Å
573	D	33.7	Very low	36.1	Very low	157 Å²	157	133.7 Å²	133.7	84%	0.84	79%	0.793	S	S	*	*			trans	-113.7	97	173.5	-95	-31.8	0	0	0	109.6
574	I	35.5	Very low	36	Very low	153 Å²	153	130 Å²	130	79%	0.785	80%	0.799	S	S	*	*			trans	-138.6	111.1	160.9	-56.6	178.6	0	0	0	108.7
575	P	36.5	Very low	35.9	Very low	124 Å²	124	129.7 Å²	129.7	81%	0.805	81%	0.807	S	S	*	*			trans	-88.1	134.1	177.3	32.1	-28.9	0	0	0	111.7
576	A	32.5	Very low	35.9	Very low	102 Å²	102	129.7 Å²	129.7	84%	0.843	81%	0.81	S	S	*	*			trans	-83.1	133	172.1	0	0	0	0	0	111.5
577	A	36.2	Very low	36.2	Very low	100 Å²	100	128 Å²	128	83%	0.826	82%	0.816	S	S	*	*				174.4	128.1	128.3	0	0	0	0	0	114
578	A	35.8	Very low	36.2	Very low	99 Å²	99	124.4 Å²	124.4	82%	0.818	81%	0.813	S	S	*	*			trans	80.8	131.8	146.8	0	0	0	0	0	121
579	P	35.6	Very low	36.4	Very low	128 Å²	128	123.7 Å²	123.7	83%	0.831	82%	0.816	S	S	*	*			trans	-99.8	142.7	-177.2	37.8	-30.1	0	0	0	112.9
580	A	38	Very low	36.8	Very low	97 Å²	97	120 Å²	120	80%	0.802	81%	0.812	S	S	*	*			trans	-177.9	119	141.9	0	0	0	0	0	112.3
581	A	36.2	Very low	36.9	Very low	99 Å²	99	117.5 Å²	117.5	82%	0.818	81%	0.813	S	S	*	*			trans	47.2	117.3	139.5	0	0	0	0	0	122.1
582	A	37.1	Very low	37	Very low	86 Å²	86	120 Å²	120	71%	0.711	82%	0.819	S	S	*	*				89.1	111.5	127.4	0	0	0	0	0	120.9
583	T	37.4	Very low	37.3	Very low	138 Å²	138	115.4 Å²	115.4	85%	0.847	82%	0.82	S	S	*	*			trans	85.6	114.9	130.4	50.1	0	0	0	0	121.9
584	A	38.3	Very low	37.3	Very low	95 Å²	95	112.3 Å²	112.3	79%	0.785	82%	0.816	S	S	*	*			trans	83.9	91.3	135.3	0	0	0	0	0	121.1
585	A	40.9	Very low	37.3	Very low	99 Å²	99	112.2 Å²	112.2	82%	0.818	82%	0.822	S	S	*	*				46.1	161.8	107.5	0	0	0	0	0	121.9
586	P	39.3	Very low	37.2	Very low	125 Å²	125	112.1 Å²	112.1	81%	0.812	82%	0.819	S	S	*	*				-135.3	171.6	-107.9	34.8	-12.6	0	0	0	115.6
587	S	40.4	Very low	37.3	Very low	127 Å²	127	115.2 Å²	115.2	89%	0.888	82%	0.821	S	S	*	*			trans	157.3	143.5	157.6	53.8	0	0	0	0	109
588	G	36.6	Very low	37.3	Very low	64 Å²	64	115.6 Å²	115.6	66%	0.66	82%	0.815	S	S	*	*			cis	170.6	155.1	5.5	0	0	0	0	0	108.7
589	V	38.6	Very low	37	Very low	143 Å²	143	116.3 Å²	116.3	87%	0.867	81%	0.809	S	S	*	*			trans	48.7	128.6	135.1	-169.7	0	0	0	0	117.2
590	S	38.8	Very low	36.9	Very low	117 Å²	117	118.5 Å²	118.5	82%	0.818	81%	0.812	S	S	*	*			cis	176.7	161.9	36.5	33.7	0	0	0	0	108.9
591	G	39.1	Very low	36.7	Very low	80 Å²	80	120.5 Å²	120.5	83%	0.825	81%	0.805	S	S	*	*			trans	161.7	109.9	154.5	0	0	0	0	0	116.2
592	E	36.8	Very low	36.3	Very low	208 Å²	208	123.1 Å²	123.1	97%	0.972	81%	0.805	S	S	*	*			trans	-73.7	159.5	-171.6	-66.1	161.3	123.3	0	0	116.8
593	G	39.2	Very low	36.1	Very low	82 Å²	82	126.3 Å²	126.3	85%	0.845	81%	0.805	S	S	*	*			trans	176.9	95.4	164.8	0	0	0	0	0	113.2
594	A	34	Very low	35.7	Very low	93 Å²	93	127.5 Å²	127.5	77%	0.769	80%	0.804	S	S	*	*			trans	-76.7	145.7	-170.6	0	0	0	0	0	115.9
595	V	36.8	Very low	35.4	Very low	150 Å²	150	128.7 Å²	128.7	91%	0.909	80%	0.797	S	S	*	*				-157.2	137.1	128.8	176.4	0	0	0	0	108.8
596	V	34.1	Very low	34.8	Very low	122 Å²	122	133.7 Å²	133.7	74%	0.739	80%	0.796	S	S	*	*			trans	-94.1	136.5	-163.2	172.2	0	0	0	0	113.3
597	L	34.8	Very low	34.5	Very low	168 Å²	168	135.1 Å²	135.1	88%	0.88	80%	0.797	S	S	*	*			trans	-151.4	137.7	143.4	-126.9	105.7	0	0	0	108.7
598	P	35.4	Very low	34.1	Very low	108 Å²	108	134.5 Å²	134.5	70%	0.701	79%	0.788	S	S	*	*			trans	-83.7	143.6	-155.5	31.6	-33.4	0	0	0	114.5
599	T	29.7	Very low	33.8	Very low	114 Å²	114	140.8 Å²	140.8	70%	0.699	79%	0.794	S	S	*	*			trans	-53.7	126.8	168.4	46.2	0	0	0	0	113.1	H601	T599-H601 PolarHBondContact O-N 3.42Å
600	I	34.3	Very low	33.2	Very low	174 Å²	174	143.9 Å²	143.9	89%	0.892	80%	0.795	S	S	*	*			trans	-80.9	106.1	159.1	-64.7	178.6	0	0	0	106.6
601	H	32.4	Very low	33	Very low	139 Å²	139	142.7 Å²	142.7	64%	0.644	79%	0.785	S	S	*	*			trans	-63.1	141.7	170.1	-90.3	45.5	0	0	0	111.1	T599 H603	T599-H601 PolarHBondContact O-N 3.42Å; H601-H603 PolarHBondContact O-N 3.21Å
602	D	28.6	Very low	32.6	Very low	154 Å²	154	143.3 Å²	143.3	82%	0.824	78%	0.782	S	S	*	*			trans	-45.5	117.4	156	-74.2	-51.6	0	0	0	110.9
603	H	32.6	Very low	32.6	Very low	153 Å²	153	142.2 Å²	142.2	71%	0.708	78%	0.776	S	S	*	*			trans	-128.4	84.9	158.1	-84.7	-55.3	0	0	0	108.9	H601 N605	H601-H603 PolarHBondContact O-N 3.21Å; H603-N605 VanDerWaalsContact C-N 3.28Å; H603-N605 PolarHBondContact O-N 3.21Å; H603-N605 VanDerWaalsContact O-N 3.1Å
604	I	29.9	Very low	32	Very low	163 Å²	163	142.4 Å²	142.4	84%	0.836	78%	0.778	S	S	*	*			trans	-54.9	102.5	138.3	-63.3	170.8	0	0	0	105.5
605	N	31.1	Very low	31.8	Very low	119 Å²	119	142 Å²	142	64%	0.636	78%	0.775	S	S	*	*			trans	-147.5	108.9	164.6	-119	-7.4	0	0	0	110.3	H603 N607	H603-N605 VanDerWaalsContact C-N 3.28Å; H603-N605 PolarHBondContact O-N 3.21Å; H603-N605 VanDerWaalsContact O-N 3.1Å; N605-N607 PolarHBondContact O-N 3.28Å
606	Y	28.1	Very low	31.3	Very low	204 Å²	204	143.1 Å²	143.1	80%	0.8	77%	0.77	S	S	*	*			trans	-35.7	123.7	148.3	-94.5	-108.2	0	0	0	110.2
607	N	32.7	Very low	31.2	Very low	156 Å²	156	148.5 Å²	148.5	83%	0.834	78%	0.777	S	S	*	*			trans	-129.9	100.3	159.8	-92	-30.1	0	0	0	110.4	N605	N605-N607 PolarHBondContact O-N 3.28Å
608	T	32.8	Very low	31.1	Very low	113 Å²	113	146.3 Å²	146.3	69%	0.693	77%	0.771	S	S	*	*			trans	-54.5	133.7	164.1	-37	0	0	0	0	112
609	Y	29.1	Very low	30.8	Very low	197 Å²	197	149.5 Å²	149.5	77%	0.773	78%	0.776	S	S	*	*			trans	51.7	125.9	146.3	-91.4	-106.9	0	0	0	122.4	P611	Y609-P611 HydrophobicContact CD1-CG 4.22Å; Y609-P611 HydrophobicContact CE1-CG 4.05Å
610	K	27.7	Very low	30.8	Very low	207 Å²	207	151.9 Å²	151.9	90%	0.9	79%	0.785	S	S	*	*				-164.2	107.4	111.8	-109.1	177.9	-178.6	177.5	0	111.1
611	P	34	Very low	30.5	Very low	93 Å²	93	148.8 Å²	148.8	60%	0.604	78%	0.779	S	S	*	*			trans	-90.5	119	157.8	30.2	-20.6	0	0	0	108.6	Y609 H613	Y609-P611 HydrophobicContact CD1-CG 4.22Å; Y609-P611 HydrophobicContact CE1-CG 4.05Å; P611-H613 PolarHBondContact O-N 3.26Å
612	A	31.5	Very low	30.5	Very low	92 Å²	92	150.6 Å²	150.6	76%	0.76	79%	0.792	S	S	*	*	S	Bend	trans	-76.8	96.8	164.7	0	0	0	0	0	108
613	H	35.6	Very low	30.5	Very low	185 Å²	185	146.2 Å²	146.2	86%	0.856	78%	0.784	S	S	*	*	S	Bend	trans	161.9	117.5	141.3	-84.7	-58.8	0	0	0	107.9	P611	P611-H613 PolarHBondContact O-N 3.26Å
614	G	26.1	Very low	30.4	Very low	86 Å²	86	147.1 Å²	147.1	89%	0.887	79%	0.793	S	S	*	*			trans	-70.9	133.2	-161.9	0	0	0	0	0	114.9
615	A	31.2	Very low	30.3	Very low	84 Å²	84	144.6 Å²	144.6	69%	0.694	79%	0.79	S	S	*	*			trans	-154.3	115.7	143.6	0	0	0	0	0	108.3
616	H	25.1	Very low	30.4	Very low	175 Å²	175	147.3 Å²	147.3	81%	0.81	80%	0.804	S	S	*	*			trans	-60.6	124.5	175	-114.1	-95.1	0	0	0	110.8
617	W	32	Very low	30.3	Very low	235 Å²	235	146.1 Å²	146.1	89%	0.89	81%	0.805	S	S	*	*			trans	-139	114.2	154.5	-73.8	93.3	0	0	0	109.2
618	T	32.6	Very low	30.4	Very low	121 Å²	121	144.6 Å²	144.6	74%	0.742	80%	0.804	S	S	*	*			trans	-80.9	134.3	173.6	43.4	0	0	0	0	110.1
619	E	29	Very low	30.2	Very low	175 Å²	175	145.2 Å²	145.2	82%	0.818	81%	0.808	S	S	*	*			trans	-60.4	146.8	171.7	-67.5	174.3	142.7	0	0	112.4
620	N	30	Very low	30.3	Very low	164 Å²	164	142 Å²	142	88%	0.877	81%	0.808	S	S	*	*			trans	-141.8	105.6	149.2	-99.6	-19.6	0	0	0	108.4
621	S	28.2	Very low	30.5	Very low	110 Å²	110	137.7 Å²	137.7	77%	0.769	80%	0.799	S	S	*	*			trans	-97	124.6	166	-69.7	0	0	0	0	109.5
622	L	32.3	Very low	30.5	Very low	177 Å²	177	139.1 Å²	139.1	93%	0.927	81%	0.806	S	S	*	*			trans	-157.2	119.1	160.6	-90.4	134	0	0	0	102.5
623	G	29.3	Very low	30.4	Very low	62 Å²	62	142.5 Å²	142.5	64%	0.639	81%	0.81	S	S	*	*			cis	136.6	126.5	32	0	0	0	0	0	104.6
624	N	30.6	Very low	30.4	Very low	171 Å²	171	139.3 Å²	139.3	91%	0.914	81%	0.809	S	S	*	*			trans	166.5	107.9	139.1	-83.8	-13.3	0	0	0	111.3
625	S	27.3	Very low	30.7	Very low	110 Å²	110	143.9 Å²	143.9	77%	0.769	81%	0.807	S	S	*	*			trans	-63	145.4	160.3	32.3	0	0	0	0	111.8
626	L	33.7	Very low	31.1	Very low	176 Å²	176	145.7 Å²	145.7	92%	0.921	81%	0.812	S	S	*	*			trans	-168.4	102.7	149	-98.9	153.6	0	0	0	108.6
627	H	26.1	Very low	31.6	Very low	180 Å²	180	148.1 Å²	148.1	83%	0.833	82%	0.815	S	S	*	*			trans	-79.3	157.1	159.8	-86.9	-73.1	0	0	0	109.4
628	P	34.8	Very low	31.4	Very low	123 Å²	123	143.9 Å²	143.9	80%	0.799	81%	0.809	S	S	*	*				-137.4	151	110.8	25.2	-6.5	0	0	0	114.6
629	T	27.4	Very low	31.4	Very low	127 Å²	127	145 Å²	145	78%	0.779	81%	0.809	S	S	*	*			trans	-56.6	153.4	170	38.9	0	0	0	0	114.2
630	V	32.6	Very low	31.4	Very low	130 Å²	130	144.5 Å²	144.5	79%	0.788	81%	0.806	S	S	*	*			trans	-176.6	101.3	135.4	164.5	0	0	0	0	110.4
631	T	31.1	Very low	31.5	Very low	115 Å²	115	143.1 Å²	143.1	71%	0.706	80%	0.804	S	S	*	*			trans	40.4	145.9	132.8	65.6	0	0	0	0	126
632	T	33.2	Very low	31.8	Very low	123 Å²	123	146 Å²	146	76%	0.755	81%	0.805	S	S	*	*			trans	94.6	88.8	147.5	66.5	0	0	0	0	121.1
633	I	30.9	Very low	31.8	Very low	164 Å²	164	143.3 Å²	143.3	84%	0.841	80%	0.796	S	S	*	*				30.7	117.7	119.2	-52.1	170.1	0	0	0	118.5
634	S	34	Very low	31.8	Very low	118 Å²	118	149.7 Å²	149.7	83%	0.825	81%	0.806	S	S	*	*			trans	-158.6	127.5	139.9	47.5	0	0	0	0	110.6
635	E	34.1	Very low	32	Very low	182 Å²	182	149.4 Å²	149.4	85%	0.85	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-59.2	152.2	-171.5	-64.2	160.7	135.3	0	0	115.8
636	P	38.9	Very low	32.1	Very low	122 Å²	122	153.6 Å²	153.6	79%	0.792	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-89.9	125	163	32.5	-24.8	0	0	0	111.4	I638	P636-I638 PolarHBondContact O-N 3.42Å
637	Y	34.8	Very low	32.1	Very low	225 Å²	225	152.3 Å²	152.3	88%	0.882	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-59.6	125.1	173.8	-117.2	-98.6	0	0	0	112
638	I	28.1	Very low	32.5	Very low	147 Å²	147	151.9 Å²	151.9	75%	0.754	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-74.8	122.5	171	-63.1	171	0	0	0	108.9	P636 Q640	P636-I638 PolarHBondContact O-N 3.42Å; I638-Q640 HydrophobicContact CG2-CG 4.28Å
639	I	33.8	Very low	32.3	Very low	145 Å²	145	153 Å²	153	74%	0.744	80%	0.801	S	S	*	*			trans	-110.9	106.9	163.3	-62.2	177.8	0	0	0	107.7	T641	I639-T641 PolarHBondContact O-N 2.75Å
640	Q	29	Very low	32.7	Very low	164 Å²	164	154 Å²	154	77%	0.766	81%	0.807	S	S	*	*			trans	-67.8	116.2	168.5	-72.6	175.3	-20.2	0	0	109.6	I638	I638-Q640 HydrophobicContact CG2-CG 4.28Å
641	T	32.4	Very low	32.5	Very low	134 Å²	134	156 Å²	156	82%	0.822	81%	0.807	S	S	*	*			trans	-90.8	104.9	166.6	52.4	0	0	0	0	109.7	I639	I639-T641 PolarHBondContact O-N 2.75Å
642	H	32.6	Very low	32.7	Very low	172 Å²	172	161.1 Å²	161.1	80%	0.796	83%	0.829	S	S	*	*			trans	-66.2	146	168.9	-108.5	-85.1	0	0	0	111.7
643	T	33.7	Very low	32.6	Very low	119 Å²	119	163.1 Å²	163.1	73%	0.73	83%	0.832	S	S	*	*			trans	-52.8	141.4	-175.3	44.1	0	0	0	0	117.4
644	K	29.7	Very low	32.7	Very low	196 Å²	196	163 Å²	163	85%	0.852	83%	0.832	S	S	*	*			trans	24.8	116.9	143.9	-79.4	175.4	173.9	168.8	0	117.1
645	D	34	Very low	32.7	Very low	166 Å²	166	165.5 Å²	165.5	89%	0.888	83%	0.832	S	S	*	*			trans	-148.5	142.4	131.8	-102.6	-35.1	0	0	0	114.2
646	K	29	Very low	32.6	Very low	198 Å²	198	164.5 Å²	164.5	86%	0.861	83%	0.831	S	S	*	*			trans	-63.5	135	-175.3	-67.8	163.7	170.2	174.1	0	111.5
647	V	34.3	Very low	32.2	Very low	148 Å²	148	167.2 Å²	167.2	90%	0.897	83%	0.833	S	S	*	*			trans	-136.4	124.7	149.6	-176.4	0	0	0	0	110.3
648	Q	34.5	Very low	32	Very low	171 Å²	171	163.3 Å²	163.3	80%	0.799	83%	0.83	S	S	*	*			trans	-60.9	150.2	179	-112	161.7	-45.3	0	0	114
649	E	30.3	Very low	32.3	Very low	147 Å²	147	164.5 Å²	164.5	69%	0.687	84%	0.836	S	S	*	*			trans	0.4	137.6	150.1	-72.9	168.4	137.9	0	0	119.5
650	T	36.1	Very low	32.2	Very low	149 Å²	149	166 Å²	166	91%	0.914	84%	0.843	S	S	*	*				-155.5	129.6	113	12.5	0	0	0	0	110.1
651	Q	28.5	Very low	32.5	Very low	170 Å²	170	166.2 Å²	166.2	79%	0.794	85%	0.849	S	S	*	*			trans	-76.4	134.5	178.7	-68.4	170.7	-12.7	0	0	110.9
652	I	34.6	Very low	32.5	Very low	224 Å²	224	169.1 Å²	169.1	100%	1.149	85%	0.852	S	S	*	*			trans	-139.4	0	136.4	-61.2	-175.2	0	0	0	106.2

Retrieved 652 of 652 residues in 163.1 ms (Link to these results)

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