A0A087YM44_POEFO Loading...

Cathepsin O

Proteolytic enzyme possibly involved in normal cellular protein degradation and turnover.

AlphaFold DB , UniProt , Accession A0A087YM44, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 340 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	C	38.4	Very low	41.7	Very low	183 Å²	183	142 Å²	142	100%	1.236	74%	0.737	S	S	*	*				0	133.3	0	-67.2	0	0	0	0	109
2	L	34	Very low	41.7	Very low	169 Å²	169	146.7 Å²	146.7	89%	0.885	74%	0.738	S	S	*	*			trans	-36.9	136.8	-164.3	-109.4	67.2	0	0	0	115.9
3	P	38.5	Very low	41.6	Very low	90 Å²	90	145 Å²	145	58%	0.584	73%	0.732	S	S	*	*			trans	-81.4	125.9	-172.3	31.3	-30.8	0	0	0	112.4	R5 V6	P3-R5 PolarHBondContact O-N 3.35Å; P3-V6 HydrophobicContact CG-CG2 4.28Å; P3-V6 PolarHBondContact O-N 3.12Å
4	L	42.7	Very low	41.6	Very low	140 Å²	140	146.9 Å²	146.9	73%	0.733	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.4	-8.4	170.5	-111.5	87.9	0	0	0	114.5	V6	L4-V6 VanDerWaalsContact C-N 3.33Å
5	R	45.7	Very low	41.5	Very low	211 Å²	211	142.7 Å²	142.7	80%	0.796	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	-11	179	-89.6	-176.9	171.4	-179.4	-2.4	114.6	P3 L9	P3-R5 PolarHBondContact O-N 3.35Å; R5-L9 WeakPolarHBondContact O-CD1 3.4Å
6	V	47.6	Very low	41.4	Very low	91 Å²	91	140.5 Å²	140.5	55%	0.552	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	-21.5	-179.2	-176.7	0	0	0	0	112.9	P3 L4	P3-V6 HydrophobicContact CG-CG2 4.28Å; P3-V6 PolarHBondContact O-N 3.12Å; L4-V6 VanDerWaalsContact C-N 3.33Å
7	Q	42.5	Very low	41.3	Very low	156 Å²	156	143.5 Å²	143.5	73%	0.729	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	-14.9	178	-79.6	174.9	-30.7	0	0	114.3
8	L	43	Very low	41.2	Very low	109 Å²	109	145.8 Å²	145.8	57%	0.571	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	-8.6	174	-88.9	142.6	0	0	0	114
9	L	42.3	Very low	41.2	Very low	110 Å²	110	147.2 Å²	147.2	58%	0.576	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-27.4	170	-101.9	100.6	0	0	0	112.7	R5 L13	R5-L9 WeakPolarHBondContact O-CD1 3.4Å; L9-L13 WeakPolarHBondContact O-CD1 3.4Å
10	F	42.7	Very low	41.1	Very low	162 Å²	162	149.4 Å²	149.4	71%	0.711	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	-21.2	178.8	-94.9	-86.7	0	0	0	114.4
11	L	41.7	Very low	40.9	Very low	141 Å²	141	147.4 Å²	147.4	74%	0.738	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	-3.7	176.6	-86.7	142.4	0	0	0	114
12	R	41.3	Very low	40.8	Very low	198 Å²	198	144.8 Å²	144.8	75%	0.747	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.6	-6.9	169	-73.7	-172.4	174.2	-166.8	-1.3	113.8
13	L	40.3	Very low	41	Very low	125 Å²	125	143.5 Å²	143.5	65%	0.654	73%	0.725	S	S	*	*	S	Bend	trans	-91.6	-7.4	173.3	-103.6	134.1	0	0	0	113.8	L9	L9-L13 WeakPolarHBondContact O-CD1 3.4Å
14	M	41.5	Very low	40.8	Very low	172 Å²	172	145.3 Å²	145.3	85%	0.847	73%	0.729	S	S	*	*	S	Bend	trans	-107.8	6.8	175.8	-67.4	-157.5	129.2	0	0	114.3
15	A	41	Very low	40.6	Very low	84 Å²	84	144.5 Å²	144.5	69%	0.694	73%	0.73	S	S	*	*	S	Bend	trans	-125.4	21	179.6	0	0	0	0	0	113.5
16	V	39.6	Very low	40.1	Very low	107 Å²	107	138.7 Å²	138.7	65%	0.648	72%	0.718	S	S	*	*	S	Bend	trans	-111	10.5	170.8	-175	0	0	0	0	110.9
17	F	39	Very low	39.8	Very low	191 Å²	191	138.1 Å²	138.1	84%	0.838	72%	0.723	S	S	*	*	S	Bend	trans	-93.9	16.3	-179.1	-113.5	-81.7	0	0	0	114.9
18	Q	39.7	Very low	39.5	Very low	186 Å²	186	135.1 Å²	135.1	87%	0.869	72%	0.715	S	S	*	*	S	Bend	trans	-147	73.6	179.1	-97.2	167.1	-31.6	0	0	109.7
19	M	41.3	Very low	39.2	Very low	171 Å²	171	135.3 Å²	135.3	84%	0.842	72%	0.724	S	S	*	*			trans	170.3	69.4	150.6	-94.1	-152.8	-64	0	0	108.6
20	F	38.7	Very low	38.8	Very low	192 Å²	192	138.5 Å²	138.5	84%	0.842	73%	0.734	S	S	*	*	S	Bend	trans	-134.9	103.6	148.7	-83.3	-76.1	0	0	0	106.8	V22	F20-V22 PolarHBondContact O-N 3.35Å
21	S	37.8	Very low	38.3	Very low	107 Å²	107	133.7 Å²	133.7	75%	0.748	73%	0.73	S	S	*	*			trans	-3.9	105.8	159.6	-50.2	0	0	0	0	113.6	I23	S21-I23 PolarHBondContact O-N 3.32Å
22	V	36.2	Very low	38	Very low	129 Å²	129	132.3 Å²	132.3	78%	0.782	73%	0.727	S	S	*	*			trans	-59.3	90.2	155.5	177.6	0	0	0	0	105.7	F20 L24	F20-V22 PolarHBondContact O-N 3.35Å; V22-L24 HydrophobicContact CG1-CB 4.24Å; V22-L24 HydrophobicContact CG1-CD1 4.34Å; V22-L24 PolarHBondContact O-N 3.5Å
23	I	37.9	Very low	37.7	Very low	142 Å²	142	127.6 Å²	127.6	73%	0.728	72%	0.724	S	S	*	*			trans	-68.1	89.3	155.2	-61.7	178.6	0	0	0	103.2	S21 V25	S21-I23 PolarHBondContact O-N 3.32Å; I23-V25 HydrophobicContact CG2-CG2 3.93Å; I23-V25 PolarHBondContact O-N 3.27Å
24	L	35.3	Very low	37.7	Very low	128 Å²	128	126.6 Å²	126.6	67%	0.67	72%	0.723	S	S	*	*			trans	-60.8	88.7	161.4	-163.2	78	0	0	0	104.3	V22 T26	V22-L24 HydrophobicContact CG1-CB 4.24Å; V22-L24 HydrophobicContact CG1-CD1 4.34Å; V22-L24 PolarHBondContact O-N 3.5Å; L24-T26 HydrophobicContact CD2-CG2 3.54Å; L24-T26 HydrophobicContact CG-CG2 3.85Å; L24-T26 PolarHBondContact O-N 3.01Å
25	V	37.9	Very low	37.5	Very low	122 Å²	122	121.7 Å²	121.7	74%	0.739	71%	0.71	S	S	*	*			trans	-64.9	83.6	155.6	-179	0	0	0	0	103.2	I23 A27	I23-V25 HydrophobicContact CG2-CG2 3.93Å; I23-V25 PolarHBondContact O-N 3.27Å; V25-A27 PolarHBondContact O-N 3.25Å
26	T	35.4	Very low	37.3	Very low	89 Å²	89	124.7 Å²	124.7	55%	0.546	71%	0.714	S	S	.	*			trans	-55.6	104.6	155	42.6	0	0	0	0	103	L24 V28	L24-T26 HydrophobicContact CD2-CG2 3.54Å; L24-T26 HydrophobicContact CG-CG2 3.85Å; L24-T26 PolarHBondContact O-N 3.01Å; T26-V28 PolarHBondContact O-N 3.11Å
27	A	41	Very low	37.4	Very low	80 Å²	80	124.4 Å²	124.4	66%	0.661	71%	0.709	S	S	*	*			trans	-56.5	89.8	154.7	0	0	0	0	0	104	V25 C29	V25-A27 PolarHBondContact O-N 3.25Å; A27-C29 PolarHBondContact O-N 3.22Å
28	V	35.8	Very low	37.5	Very low	93 Å²	93	122.6 Å²	122.6	56%	0.564	71%	0.708	S	S	*	*			trans	-65.1	85.7	155.7	-177.1	0	0	0	0	102.1	T26 F30	T26-V28 PolarHBondContact O-N 3.11Å; V28-F30 HydrophobicContact CB-CD2 4.29Å; V28-F30 HydrophobicContact CB-CE2 4.3Å; V28-F30 HydrophobicContact CG1-CD2 3.52Å; V28-F30 HydrophobicContact CG1-CE2 3.51Å; V28-F30 HydrophobicContact CG1-CG 4.1Å; V28-F30 HydrophobicContact CG1-CZ 4.08Å; V28-F30 PolarHBondContact O-N 2.71Å
29	C	36	Very low	37.6	Very low	113 Å²	113	116.7 Å²	116.7	76%	0.764	70%	0.697	S	S	*	*			trans	-53.4	90.7	148.3	-70.2	0	0	0	0	103.6	A27 G31	A27-C29 PolarHBondContact O-N 3.22Å; C29-G31 PolarHBondContact O-N 3.29Å
30	F	34.8	Very low	38	Very low	176 Å²	176	110.2 Å²	110.2	77%	0.772	67%	0.668	S	S	*	*			trans	-60.1	83.6	145.1	-79.6	-82.9	0	0	0	103.6	V28 V32	V28-F30 HydrophobicContact CB-CD2 4.29Å; V28-F30 HydrophobicContact CB-CE2 4.3Å; V28-F30 HydrophobicContact CG1-CD2 3.52Å; V28-F30 HydrophobicContact CG1-CE2 3.51Å; V28-F30 HydrophobicContact CG1-CG 4.1Å; V28-F30 HydrophobicContact CG1-CZ 4.08Å; V28-F30 PolarHBondContact O-N 2.71Å; F30-V32 PolarHBondContact O-N 2.95Å
31	G	32.5	Very low	38.9	Very low	61 Å²	61	105.3 Å²	105.3	63%	0.629	67%	0.672	S	S	*	*			trans	-55.8	89	146.3	0	0	0	0	0	103.6	C29 S33	C29-G31 PolarHBondContact O-N 3.29Å; G31-S33 PolarHBondContact O-N 3.11Å
32	V	35.3	Very low	40.6	Very low	113 Å²	113	102.8 Å²	102.8	69%	0.685	65%	0.65	S	S	*	*			trans	-58.4	98.6	154.5	179.4	0	0	0	0	102	F30 V34	F30-V32 PolarHBondContact O-N 2.95Å; V32-V34 VanDerWaalsContact C-N 3.33Å; V32-V34 PolarHBondContact O-N 3.17Å
33	S	34.2	Very low	43.2	Very low	98 Å²	98	100.8 Å²	100.8	69%	0.685	63%	0.634	S	S	*	*			trans	-50.4	109	166.7	-86.9	0	0	0	0	105.6	G31 A35	G31-S33 PolarHBondContact O-N 3.11Å; S33-A35 PolarHBondContact O-N 3.23Å
34	V	41.5	Very low	45.9	Very low	104 Å²	104	94.6 Å²	94.6	63%	0.63	60%	0.602	S	S	*	*			trans	-63.7	-2.5	170.9	-172.4	0	0	0	0	110.3	V32 N36	V32-V34 VanDerWaalsContact C-N 3.33Å; V32-V34 PolarHBondContact O-N 3.17Å; V34-N36 VanDerWaalsContact C-N 3.33Å; V34-N36 PolarHBondContact O-N 3.49Å
35	A	36.3	Very low	48.7	Very low	70 Å²	70	92 Å²	92	58%	0.579	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	86.5	165.6	0	0	0	0	0	110.7	S33	S33-A35 PolarHBondContact O-N 3.23Å
36	N	37.9	Very low	51.3	Low	146 Å²	146	88.7 Å²	88.7	78%	0.781	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	137.1	42	154.2	-68.4	-33.8	0	0	0	114.4	V34 N38	V34-N36 VanDerWaalsContact C-N 3.33Å; V34-N36 PolarHBondContact O-N 3.49Å; N36-N38 VanDerWaalsContact C-N 3.34Å
37	L	39.9	Very low	54.2	Low	102 Å²	102	84.5 Å²	84.5	53%	0.534	55%	0.545	S	S	.	.			trans	-99.9	59.2	155.2	-70.3	168.5	0	0	0	109.6	G39 V74 L77	L37-G39 PolarHBondContact O-N 3.11Å; L37-V74 HydrophobicContact CD1-CG2 4.09Å; L37-L77 HydrophobicContact CD2-CD1 4.29Å
38	N	41.5	Very low	56.8	Low	153 Å²	153	82.5 Å²	82.5	82%	0.818	52%	0.521	S	S	*	.			trans	-78.5	53.4	169.5	-109	9.9	0	0	0	110.2	N36	N36-N38 VanDerWaalsContact C-N 3.34Å
39	G	41.7	Very low	59.6	Low	61 Å²	61	85.7 Å²	85.7	63%	0.629	53%	0.527	S	S	*	.			trans	-84.4	-11.5	-178	0	0	0	0	0	114.4	L37	L37-G39 PolarHBondContact O-N 3.11Å
40	S	49.6	Very low	62.4	Low	35 Å²	35	86 Å²	86	25%	0.245	52%	0.515	C	S	.	.	S	Bend	trans	-135.6	120.7	169.4	63.3	0	0	0	0	107.4	I42	S40-I42 PolarHBondContact O-N 2.94Å
41	G	58.7	Low	65.2	Low	89 Å²	89	79.3 Å²	79.3	92%	0.918	49%	0.486	S	S	*	.	S	Bend	trans	-67.7	28	-173.8	0	0	0	0	0	115.8
42	I	73.9	Confident	68.2	Low	55 Å²	55	84 Å²	84	28%	0.282	49%	0.491	S	S	.	.			trans	-121.3	113.2	-179.5	-58.2	179.2	0	0	0	107.6	S40 F47 F69	S40-I42 PolarHBondContact O-N 2.94Å; I42-F47 HydrophobicContact CG2-CB 4.15Å; I42-F69 HydrophobicContact CG2-CZ 4.44Å; I42-F69 WeakPolarHBondContact O-CZ 3.08Å
43	D	90.4	Very high	71	Confident	87 Å²	87	81.6 Å²	81.6	47%	0.465	47%	0.47	S	S	.	.			trans	-73.4	164.8	169.1	68.8	76	0	0	0	111.4	D45 S46 F47	D43-D45 VanDerWaalsContact C-N 3.29Å; D43-D45 PolarHBondContact O-N 3.25Å; D43-D45 WeakPolarHBondContact OD1-CA 3.28Å; D43-D45 WeakPolarHBondContact OD1-CB 3.47Å; D43-D45 PolarHBondContact OD1-N 2.93Å; D43-S46 WeakPolarHBondContact O-CB 3.2Å; D43-S46 PolarHBondContact O-N 2.94Å; D43-S46 PolarHBondContact OD1-N 3.43Å; D43-S46 PolarHBondContact OD1-OG 3.01Å; D43-S46 WeakPolarHBondContact OD2-CB 3.43Å; D43-S46 PolarHBondContact OD2-OG 3.35Å; D43-F47 PolarHBondContact O-N 3.35Å
44	F	94.3	Very high	73.9	Confident	11 Å²	11	84.9 Å²	84.9	5%	0.048	48%	0.479	C	S	.	.	H	α-helix	trans	-63.3	-30.9	-176.1	-175.4	-122.6	0	0	0	113.5	F47 R48 Y55 F62 R65 Q66 F69 D98	F44-F47 HydrophobicContact CD2-CD1 4.05Å; F44-F47 AromaticContact CE2-CD1 3.99Å; F44-F47 HydrophobicContact CE2-CD1 3.99Å; F44-F47 HydrophobicContact CE2-CE1 4.38Å; F44-F47 WeakPolarHBondContact O-CB 3.34Å; F44-F47 PolarHBondContact O-N 2.93Å; F44-R48 HydrophobicContact CD1-CG 4.41Å; F44-R48 HydrophobicContact CE1-CG 4.13Å; F44-R48 HydrophobicContact CE2-CG 4.25Å; F44-R48 HydrophobicContact CZ-CG 4.02Å; F44-R48 VanDerWaalsContact O-CG 3.25Å; F44-R48 WeakPolarHBondContact O-CG 3.4Å; F44-R48 PolarHBondContact O-N 2.99Å; F44-Y55 HydrophobicContact CZ-CD2 4.19Å; F44-Y55 HydrophobicContact CZ-CE2 4.43Å; F44-F62 AromaticContact CD1-CE2 3.87Å; F44-F62 HydrophobicContact CD1-CE2 3.87Å; F44-F62 AromaticContact CD1-CZ 3.91Å; F44-F62 HydrophobicContact CD1-CZ 3.91Å; F44-F62 AromaticContact CE1-CD2 3.87Å; F44-F62 HydrophobicContact CE1-CD2 3.87Å; F44-F62 AromaticContact CE1-CE2 3.57Å; F44-F62 HydrophobicContact CE1-CE2 3.57Å; F44-F62 HydrophobicContact CE1-CG 4.45Å; F44-F62 AromaticContact CE1-CZ 3.94Å; F44-F62 HydrophobicContact CE1-CZ 3.94Å; F44-R65 HydrophobicContact CE2-CB 4.21Å; F44-R65 HydrophobicContact CZ-CB 3.61Å; F44-Q66 HydrophobicContact CB-CG 4.25Å; F44-Q66 HydrophobicContact CD1-CB 3.68Å; F44-Q66 HydrophobicContact CD1-CG 3.74Å; F44-Q66 HydrophobicContact CE1-CB 3.67Å; F44-Q66 HydrophobicContact CE1-CG 4.27Å; F44-Q66 HydrophobicContact CG-CB 4.19Å; F44-Q66 HydrophobicContact CG-CG 4.02Å; F44-Q66 HydrophobicContact CZ-CB 4.2Å; F44-F69 HydrophobicContact CB-CD1 3.95Å; F44-F69 HydrophobicContact CB-CE1 4.25Å; F44-F69 HydrophobicContact CD2-CB 3.63Å; F44-F69 AromaticContact CD2-CD1 3.8Å; F44-F69 HydrophobicContact CD2-CD1 3.8Å; F44-F69 HydrophobicContact CD2-CD2 4.23Å; F44-F69 AromaticContact CD2-CG 3.61Å; F44-F69 HydrophobicContact CD2-CG 3.61Å; F44-F69 HydrophobicContact CE2-CB 3.93Å; F44-F69 HydrophobicContact CE2-CG 4.3Å; F44-F69 HydrophobicContact CG-CD1 4.32Å; F44-D98 HydrophobicContact CE2-CB 4.39Å
45	D	93.6	Very high	76.4	Confident	75 Å²	75	81.9 Å²	81.9	40%	0.401	46%	0.457	S	S	.	.	H	α-helix	trans	-73	-38.8	177.2	-73.9	-33.8	0	0	0	111.7	D43 F47 R48 K49	D43-D45 VanDerWaalsContact C-N 3.29Å; D43-D45 PolarHBondContact O-N 3.25Å; D43-D45 WeakPolarHBondContact OD1-CA 3.28Å; D43-D45 WeakPolarHBondContact OD1-CB 3.47Å; D43-D45 PolarHBondContact OD1-N 2.93Å; D45-F47 VanDerWaalsContact C-N 3.33Å; D45-R48 PolarHBondContact O-N 3.31Å; D45-R48 IonicContact OD1-CZ 3.36Å; D45-R48 IonicContact OD1-NH1 3.82Å; D45-R48 PolarHBondContact OD1-NH1 2.89Å; D45-K49 WeakPolarHBondContact O-CG 3.3Å; D45-K49 PolarHBondContact O-N 2.84Å
46	S	93.8	Very high	79.1	Confident	52 Å²	52	85.8 Å²	85.8	36%	0.364	46%	0.463	S	S	.	.	H	α-helix	trans	-61.2	-42.1	171.1	-67.5	0	0	0	0	111.2	D43 K49 K50	D43-S46 WeakPolarHBondContact O-CB 3.2Å; D43-S46 PolarHBondContact O-N 2.94Å; D43-S46 PolarHBondContact OD1-N 3.43Å; D43-S46 PolarHBondContact OD1-OG 3.01Å; D43-S46 WeakPolarHBondContact OD2-CB 3.43Å; D43-S46 PolarHBondContact OD2-OG 3.35Å; S46-K49 PolarHBondContact O-N 2.87Å; S46-K50 WeakPolarHBondContact O-CB 3.5Å; S46-K50 PolarHBondContact O-N 3.26Å
47	F	95.6	Very high	81.6	Confident	0 Å²	0	82.5 Å²	82.5	0%	0	45%	0.448	C	S	.	.	H	α-helix	trans	-59.1	-50	171.9	170.6	-91.2	0	0	0	112.1	I42 D43 F44 D45 K49 K50 F51 R53 F69 I93 N94 D98	I42-F47 HydrophobicContact CG2-CB 4.15Å; D43-F47 PolarHBondContact O-N 3.35Å; F44-F47 HydrophobicContact CD2-CD1 4.05Å; F44-F47 AromaticContact CE2-CD1 3.99Å; F44-F47 HydrophobicContact CE2-CD1 3.99Å; F44-F47 HydrophobicContact CE2-CE1 4.38Å; F44-F47 WeakPolarHBondContact O-CB 3.34Å; F44-F47 PolarHBondContact O-N 2.93Å; D45-F47 VanDerWaalsContact C-N 3.33Å; F47-K49 VanDerWaalsContact C-N 3.3Å; F47-K49 PolarHBondContact O-N 3.42Å; F47-K50 PolarHBondContact O-N 3.09Å; F47-K50 VanDerWaalsContact O-N 3.16Å; F47-F51 AromaticContact CD2-CD2 3.41Å; F47-F51 HydrophobicContact CD2-CD2 3.41Å; F47-F51 VanDerWaalsContact CD2-CD2 3.41Å; F47-F51 AromaticContact CD2-CE2 3.58Å; F47-F51 HydrophobicContact CD2-CE2 3.58Å; F47-F51 HydrophobicContact CE1-CD2 4.45Å; F47-F51 AromaticContact CE2-CD2 3.25Å; F47-F51 HydrophobicContact CE2-CD2 3.25Å; F47-F51 AromaticContact CE2-CE2 3.47Å; F47-F51 HydrophobicContact CE2-CE2 3.47Å; F47-F51 VanDerWaalsContact CE2-CE2 3.47Å; F47-F51 HydrophobicContact CE2-CG 4.2Å; F47-F51 HydrophobicContact CG-CD2 4.12Å; F47-F51 AromaticContact CZ-CD2 3.82Å; F47-F51 HydrophobicContact CZ-CD2 3.82Å; F47-F51 HydrophobicContact CZ-CE2 4.41Å; F47-F51 HydrophobicContact CZ-CG 4.41Å; F47-F51 WeakPolarHBondContact O-CD2 3.39Å; F47-F51 PolarHBondContact O-N 2.69Å; F47-R53 HydrophobicContact CE1-CG 4.08Å; F47-F69 HydrophobicContact CB-CD2 4.27Å; F47-F69 HydrophobicContact CB-CE2 3.63Å; F47-F69 HydrophobicContact CB-CZ 3.81Å; F47-F69 HydrophobicContact CD1-CD2 4.14Å; F47-F69 HydrophobicContact CD1-CE2 4.26Å; F47-F69 AromaticContact CD2-CD2 3.87Å; F47-F69 HydrophobicContact CD2-CD2 3.87Å; F47-F69 AromaticContact CD2-CE2 3.38Å; F47-F69 HydrophobicContact CD2-CE2 3.38Å; F47-F69 HydrophobicContact CD2-CZ 4.33Å; F47-F69 HydrophobicContact CE2-CD2 4.22Å; F47-F69 HydrophobicContact CE2-CE2 4.08Å; F47-F69 AromaticContact CG-CD2 3.82Å; F47-F69 HydrophobicContact CG-CD2 3.82Å; F47-F69 AromaticContact CG-CE2 3.48Å; F47-F69 HydrophobicContact CG-CE2 3.48Å; F47-F69 VanDerWaalsContact CG-CE2 3.48Å; F47-F69 HydrophobicContact CG-CZ 4.2Å; F47-I93 HydrophobicContact CD2-CG2 3.65Å; F47-I93 HydrophobicContact CE2-CG2 4.05Å; F47-N94 VanDerWaalsContact CE2-O 3.28Å; F47-N94 WeakPolarHBondContact CE2-O 3.21Å; F47-D98 HydrophobicContact CE1-CB 3.62Å; F47-D98 WeakPolarHBondContact CE1-OD2 3.34Å; F47-D98 HydrophobicContact CZ-CB 3.89Å
48	R	95.5	Very high	84	Confident	38 Å²	38	84.4 Å²	84.4	14%	0.143	46%	0.459	C	S	.	.	H	α-helix	trans	-57.6	-43.5	179.3	-73.9	168.7	63.8	-151	8.8	111.7	F44 D45 H52 R53 Y55	F44-R48 HydrophobicContact CD1-CG 4.41Å; F44-R48 HydrophobicContact CE1-CG 4.13Å; F44-R48 HydrophobicContact CE2-CG 4.25Å; F44-R48 HydrophobicContact CZ-CG 4.02Å; F44-R48 VanDerWaalsContact O-CG 3.25Å; F44-R48 WeakPolarHBondContact O-CG 3.4Å; F44-R48 PolarHBondContact O-N 2.99Å; D45-R48 PolarHBondContact O-N 3.31Å; D45-R48 IonicContact OD1-CZ 3.36Å; D45-R48 IonicContact OD1-NH1 3.82Å; D45-R48 PolarHBondContact OD1-NH1 2.89Å; R48-H52 CarbonylContact O-C 3.5Å; R48-H52 WeakPolarHBondContact O-CA 3.48Å; R48-H52 PolarHBondContact O-N 2.91Å; R48-R53 HydrophobicContact CB-CB 3.96Å; R48-R53 HydrophobicContact CG-CB 3.9Å; R48-R53 PolarHBondContact O-N 2.85Å; R48-Y55 HydrophobicContact CG-CD2 4.5Å; R48-Y55 PolarHBondContact NH2-O 3.25Å
49	K	94.2	Very high	86.6	Confident	160 Å²	160	78.5 Å²	78.5	70%	0.696	43%	0.429	S	S	*	.	H	α-helix	trans	-62.8	-46.6	176.4	-72	170.9	-175.3	172.1	0	111.6	D45 S46 F47 F51 H52	D45-K49 WeakPolarHBondContact O-CG 3.3Å; D45-K49 PolarHBondContact O-N 2.84Å; S46-K49 PolarHBondContact O-N 2.87Å; F47-K49 VanDerWaalsContact C-N 3.3Å; F47-K49 PolarHBondContact O-N 3.42Å; K49-F51 PolarHBondContact O-N 2.85Å; K49-H52 PolarHBondContact O-N 2.83Å
50	K	94.3	Very high	89.3	Confident	120 Å²	120	83.6 Å²	83.6	52%	0.522	44%	0.437	S	S	.	.	H	α-helix	trans	-61.6	-41.2	-179.3	-178	177.9	177.2	-177.5	0	112.8	S46 F47	S46-K50 WeakPolarHBondContact O-CB 3.5Å; S46-K50 PolarHBondContact O-N 3.26Å; F47-K50 PolarHBondContact O-N 3.09Å; F47-K50 VanDerWaalsContact O-N 3.16Å
51	F	94.6	Very high	91.5	Very high	35 Å²	35	84.4 Å²	84.4	15%	0.154	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	17.6	-177.2	-64.4	-74.9	0	0	0	113.7	F47 K49 R53 I93 Q95	F47-F51 AromaticContact CD2-CD2 3.41Å; F47-F51 HydrophobicContact CD2-CD2 3.41Å; F47-F51 VanDerWaalsContact CD2-CD2 3.41Å; F47-F51 AromaticContact CD2-CE2 3.58Å; F47-F51 HydrophobicContact CD2-CE2 3.58Å; F47-F51 HydrophobicContact CE1-CD2 4.45Å; F47-F51 AromaticContact CE2-CD2 3.25Å; F47-F51 HydrophobicContact CE2-CD2 3.25Å; F47-F51 AromaticContact CE2-CE2 3.47Å; F47-F51 HydrophobicContact CE2-CE2 3.47Å; F47-F51 VanDerWaalsContact CE2-CE2 3.47Å; F47-F51 HydrophobicContact CE2-CG 4.2Å; F47-F51 HydrophobicContact CG-CD2 4.12Å; F47-F51 AromaticContact CZ-CD2 3.82Å; F47-F51 HydrophobicContact CZ-CD2 3.82Å; F47-F51 HydrophobicContact CZ-CE2 4.41Å; F47-F51 HydrophobicContact CZ-CG 4.41Å; F47-F51 WeakPolarHBondContact O-CD2 3.39Å; F47-F51 PolarHBondContact O-N 2.69Å; K49-F51 PolarHBondContact O-N 2.85Å; F51-R53 VanDerWaalsContact C-N 3.29Å; F51-R53 HydrophobicContact CB-CG 4.29Å; F51-R53 PolarHBondContact O-N 3.32Å; F51-I93 HydrophobicContact CE2-CG2 4.3Å; F51-Q95 HydrophobicContact CD1-CB 3.58Å; F51-Q95 HydrophobicContact CE1-CB 3.66Å; F51-Q95 HydrophobicContact CG-CB 4.42Å
52	H	95.2	Very high	93.3	Very high	159 Å²	159	81 Å²	81	74%	0.736	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	45	176.6	-54.8	-65.1	0	0	0	113.8	R48 K49	R48-H52 CarbonylContact O-C 3.5Å; R48-H52 WeakPolarHBondContact O-CA 3.48Å; R48-H52 PolarHBondContact O-N 2.91Å; K49-H52 PolarHBondContact O-N 2.83Å
53	R	94.9	Very high	94.4	Very high	63 Å²	63	80.9 Å²	80.9	24%	0.238	40%	0.401	C	S	.	.			trans	-83.4	123.8	178.9	-59.8	-52.9	-155.6	-135.3	4.2	111.6	F47 R48 F51 Y55 Q95 D98	F47-R53 HydrophobicContact CE1-CG 4.08Å; R48-R53 HydrophobicContact CB-CB 3.96Å; R48-R53 HydrophobicContact CG-CB 3.9Å; R48-R53 PolarHBondContact O-N 2.85Å; F51-R53 VanDerWaalsContact C-N 3.29Å; F51-R53 HydrophobicContact CB-CG 4.29Å; F51-R53 PolarHBondContact O-N 3.32Å; R53-Y55 HydrophobicContact CB-CD2 3.95Å; R53-Y55 HydrophobicContact CB-CE2 3.6Å; R53-Y55 WeakPolarHBondContact CD-OH 3.34Å; R53-Y55 HydrophobicContact CG-CE2 3.85Å; R53-Y55 PolarHBondContact NE-OH 3Å; R53-Q95 PolarHBondContact NH2-O 2.98Å; R53-D98 IonicContact CZ-OD1 3.9Å; R53-D98 IonicContact CZ-OD2 3.53Å; R53-D98 IonicContact NE-OD1 3.86Å; R53-D98 IonicContact NE-OD2 2.77Å; R53-D98 PolarHBondContact NE-OD2 3.47Å; R53-D98 IonicContact NH2-OD1 3Å; R53-D98 PolarHBondContact NH2-OD1 2.95Å; R53-D98 IonicContact NH2-OD2 3.98Å; R53-D98 PolarHBondContact NH2-OD2 3.18Å
54	L	94.2	Very high	94.7	Very high	168 Å²	168	82.1 Å²	82.1	88%	0.88	40%	0.399	S	S	*	.			trans	-106.7	33.1	-174.1	-59	178.3	0	0	0	113.5	E56	L54-E56 PolarHBondContact O-N 3.14Å
55	Y	93.4	Very high	94.9	Very high	41 Å²	41	82.5 Å²	82.5	16%	0.161	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-63.4	133.1	175.3	-47.2	-48.4	0	0	0	110.7	F44 R48 R53 V57 E61 R65 D98	F44-Y55 HydrophobicContact CZ-CD2 4.19Å; F44-Y55 HydrophobicContact CZ-CE2 4.43Å; R48-Y55 HydrophobicContact CG-CD2 4.5Å; R48-Y55 PolarHBondContact NH2-O 3.25Å; R53-Y55 HydrophobicContact CB-CD2 3.95Å; R53-Y55 HydrophobicContact CB-CE2 3.6Å; R53-Y55 WeakPolarHBondContact CD-OH 3.34Å; R53-Y55 HydrophobicContact CG-CE2 3.85Å; R53-Y55 PolarHBondContact NE-OH 3Å; Y55-V57 PolarHBondContact O-N 3.45Å; Y55-E61 HydrophobicContact CD1-CG 3.65Å; Y55-E61 HydrophobicContact CE1-CG 4.08Å; Y55-E61 HydrophobicContact CG-CG 4.25Å; Y55-R65 HydrophobicContact CD1-CG 4.47Å; Y55-R65 HydrophobicContact CD2-CB 4.03Å; Y55-R65 HydrophobicContact CD2-CG 3.98Å; Y55-R65 HydrophobicContact CE1-CG 4.15Å; Y55-R65 HydrophobicContact CE2-CB 3.83Å; Y55-R65 HydrophobicContact CE2-CG 3.62Å; Y55-R65 HydrophobicContact CG-CG 4.4Å; Y55-D98 PolarHBondContact OH-OD2 3.34Å
56	E	93.1	Very high	95	Very high	151 Å²	151	82.1 Å²	82.1	71%	0.706	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-66.7	126.8	173.9	-177.2	179.8	178.9	0	0	109.6	L54 N58 S59 F62	L54-E56 PolarHBondContact O-N 3.14Å; E56-N58 PolarHBondContact O-N 3.37Å; E56-S59 VanDerWaalsContact O-CB 3.24Å; E56-S59 WeakPolarHBondContact O-CB 3.21Å; E56-S59 PolarHBondContact O-N 3.13Å; E56-S59 VanDerWaalsContact O-N 3.11Å; E56-S59 PolarHBondContact O-OG 2.98Å; E56-F62 WeakPolarHBondContact O-CB 3.46Å
57	V	91.4	Very high	95.1	Very high	77 Å²	77	84 Å²	84	47%	0.467	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	137.6	-177.3	-179.7	0	0	0	0	109.7	Y55 S59 F62	Y55-V57 PolarHBondContact O-N 3.45Å; V57-S59 PolarHBondContact O-N 3.07Å; V57-F62 HydrophobicContact CG2-CE2 4.46Å
58	N	90.6	Very high	95.2	Very high	142 Å²	142	84.7 Å²	84.7	76%	0.759	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.8	5.4	-174.3	-50.9	-41.9	0	0	0	115.8	E56	E56-N58 PolarHBondContact O-N 3.37Å
59	S	96.6	Very high	95.3	Very high	29 Å²	29	83.5 Å²	83.5	20%	0.203	40%	0.401	C	S	.	.	S	Bend	trans	-67.5	162.5	166.7	67	0	0	0	0	111.8	E56 V57 E61 F62 S63	E56-S59 VanDerWaalsContact O-CB 3.24Å; E56-S59 WeakPolarHBondContact O-CB 3.21Å; E56-S59 PolarHBondContact O-N 3.13Å; E56-S59 VanDerWaalsContact O-N 3.11Å; E56-S59 PolarHBondContact O-OG 2.98Å; V57-S59 PolarHBondContact O-N 3.07Å; S59-E61 VanDerWaalsContact C-N 3.25Å; S59-E61 PolarHBondContact O-N 3.23Å; S59-F62 PolarHBondContact O-N 3.35Å; S59-F62 WeakPolarHBondContact OG-CB 3.39Å; S59-F62 PolarHBondContact OG-N 2.93Å; S59-S63 PolarHBondContact O-N 3.27Å; S59-S63 PolarHBondContact O-OG 2.87Å
60	E	96.7	Very high	95.4	Very high	168 Å²	168	80.1 Å²	80.1	79%	0.785	39%	0.387	S	S	*	.	H	α-helix	trans	-56.9	-42.6	170.1	-173.7	-176.3	168.8	0	0	110.9	S63 R64	E60-S63 PolarHBondContact O-N 3.02Å; E60-R64 WeakPolarHBondContact O-CB 3.45Å; E60-R64 PolarHBondContact O-N 2.85Å
61	E	96.1	Very high	95.5	Very high	53 Å²	53	78.4 Å²	78.4	25%	0.248	38%	0.384	C	S	.	.	H	α-helix	trans	-63	-45.6	178.7	175.5	65	160.1	0	0	111.6	Y55 S59 S63 R64 R65	Y55-E61 HydrophobicContact CD1-CG 3.65Å; Y55-E61 HydrophobicContact CE1-CG 4.08Å; Y55-E61 HydrophobicContact CG-CG 4.25Å; S59-E61 VanDerWaalsContact C-N 3.25Å; S59-E61 PolarHBondContact O-N 3.23Å; E61-S63 VanDerWaalsContact C-N 3.33Å; E61-S63 PolarHBondContact O-N 2.86Å; E61-R64 PolarHBondContact O-N 2.65Å; E61-R64 IonicContact OE1-NH2 3.66Å; E61-R64 IonicContact OE2-CZ 3.15Å; E61-R64 IonicContact OE2-NE 2.92Å; E61-R64 PolarHBondContact OE2-NE 2.78Å; E61-R64 IonicContact OE2-NH2 2.63Å; E61-R64 PolarHBondContact OE2-NH2 2.58Å; E61-R65 HydrophobicContact CG-CG 4.09Å; E61-R65 WeakPolarHBondContact O-CB 3.43Å; E61-R65 WeakPolarHBondContact O-CG 3.44Å; E61-R65 PolarHBondContact O-N 2.81Å; E61-R65 IonicContact OE1-CZ 3.65Å; E61-R65 IonicContact OE1-NE 3.82Å; E61-R65 PolarHBondContact OE1-NE 2.91Å; E61-R65 IonicContact OE1-NH2 2.89Å; E61-R65 PolarHBondContact OE1-NH2 3.09Å; E61-R65 IonicContact OE2-CZ 2.79Å; E61-R65 IonicContact OE2-NE 2.88Å; E61-R65 IonicContact OE2-NH2 3.56Å
62	F	96.6	Very high	95.6	Very high	16 Å²	16	76.8 Å²	76.8	7%	0.07	38%	0.377	C	S	.	.	H	α-helix	trans	-57.5	-47.8	176.2	175.3	-85.8	0	0	0	111.5	F44 E56 V57 S59 R64 R65 Q66	F44-F62 AromaticContact CD1-CE2 3.87Å; F44-F62 HydrophobicContact CD1-CE2 3.87Å; F44-F62 AromaticContact CD1-CZ 3.91Å; F44-F62 HydrophobicContact CD1-CZ 3.91Å; F44-F62 AromaticContact CE1-CD2 3.87Å; F44-F62 HydrophobicContact CE1-CD2 3.87Å; F44-F62 AromaticContact CE1-CE2 3.57Å; F44-F62 HydrophobicContact CE1-CE2 3.57Å; F44-F62 HydrophobicContact CE1-CG 4.45Å; F44-F62 AromaticContact CE1-CZ 3.94Å; F44-F62 HydrophobicContact CE1-CZ 3.94Å; E56-F62 WeakPolarHBondContact O-CB 3.46Å; V57-F62 HydrophobicContact CG2-CE2 4.46Å; S59-F62 PolarHBondContact O-N 3.35Å; S59-F62 WeakPolarHBondContact OG-CB 3.39Å; S59-F62 PolarHBondContact OG-N 2.93Å; F62-R64 PolarHBondContact O-N 3.1Å; F62-R65 PolarHBondContact O-N 2.93Å; F62-Q66 WeakPolarHBondContact O-CB 3.47Å; F62-Q66 PolarHBondContact O-N 3.33Å
63	S	96.5	Very high	95.5	Very high	53 Å²	53	70 Å²	70	37%	0.371	35%	0.348	S	S	.	.	H	α-helix	trans	-62.1	-44.7	-179.6	-55	0	0	0	0	111.3	S59 E60 E61 Q66 I67	S59-S63 PolarHBondContact O-N 3.27Å; S59-S63 PolarHBondContact O-OG 2.87Å; E60-S63 PolarHBondContact O-N 3.02Å; E61-S63 VanDerWaalsContact C-N 3.33Å; E61-S63 PolarHBondContact O-N 2.86Å; S63-Q66 PolarHBondContact O-N 3.18Å; S63-I67 VanDerWaalsContact O-CG1 3.3Å; S63-I67 WeakPolarHBondContact O-CG1 3.12Å; S63-I67 PolarHBondContact O-N 2.89Å
64	R	97.6	Very high	95.5	Very high	114 Å²	114	70.6 Å²	70.6	43%	0.43	36%	0.359	S	S	.	.	H	α-helix	trans	-61.1	-48.1	176	-179.5	174.6	68.8	169.9	4	112.2	E60 E61 F62 Q66 I67 N68 E103	E60-R64 WeakPolarHBondContact O-CB 3.45Å; E60-R64 PolarHBondContact O-N 2.85Å; E61-R64 PolarHBondContact O-N 2.65Å; E61-R64 IonicContact OE1-NH2 3.66Å; E61-R64 IonicContact OE2-CZ 3.15Å; E61-R64 IonicContact OE2-NE 2.92Å; E61-R64 PolarHBondContact OE2-NE 2.78Å; E61-R64 IonicContact OE2-NH2 2.63Å; E61-R64 PolarHBondContact OE2-NH2 2.58Å; F62-R64 PolarHBondContact O-N 3.1Å; R64-Q66 VanDerWaalsContact C-N 3.32Å; R64-Q66 PolarHBondContact O-N 2.91Å; R64-I67 PolarHBondContact O-N 3.4Å; R64-N68 PolarHBondContact O-N 2.81Å; R64-E103 IonicContact CZ-OE1 3.97Å; R64-E103 IonicContact NE-OE1 2.79Å; R64-E103 IonicContact NH1-OE1 3.89Å; R64-E103 IonicContact NH2-OE1 3.91Å
65	R	97.9	Very high	95.6	Very high	18 Å²	18	64.2 Å²	64.2	7%	0.068	32%	0.323	C	S	.	.	H	α-helix	trans	-64.4	-37.3	179.9	-66.3	-70.7	171.9	-129.3	-12	111.9	F44 Y55 E61 F62 N68 F69 D98 E103	F44-R65 HydrophobicContact CE2-CB 4.21Å; F44-R65 HydrophobicContact CZ-CB 3.61Å; Y55-R65 HydrophobicContact CD1-CG 4.47Å; Y55-R65 HydrophobicContact CD2-CB 4.03Å; Y55-R65 HydrophobicContact CD2-CG 3.98Å; Y55-R65 HydrophobicContact CE1-CG 4.15Å; Y55-R65 HydrophobicContact CE2-CB 3.83Å; Y55-R65 HydrophobicContact CE2-CG 3.62Å; Y55-R65 HydrophobicContact CG-CG 4.4Å; E61-R65 HydrophobicContact CG-CG 4.09Å; E61-R65 WeakPolarHBondContact O-CB 3.43Å; E61-R65 WeakPolarHBondContact O-CG 3.44Å; E61-R65 PolarHBondContact O-N 2.81Å; E61-R65 IonicContact OE1-CZ 3.65Å; E61-R65 IonicContact OE1-NE 3.82Å; E61-R65 PolarHBondContact OE1-NE 2.91Å; E61-R65 IonicContact OE1-NH2 2.89Å; E61-R65 PolarHBondContact OE1-NH2 3.09Å; E61-R65 IonicContact OE2-CZ 2.79Å; E61-R65 IonicContact OE2-NE 2.88Å; E61-R65 IonicContact OE2-NH2 3.56Å; F62-R65 PolarHBondContact O-N 2.93Å; R65-N68 PolarHBondContact O-N 2.83Å; R65-F69 WeakPolarHBondContact O-CB 3.37Å; R65-F69 PolarHBondContact O-N 2.94Å; R65-D98 HydrophobicContact CB-CB 4.29Å; R65-D98 WeakPolarHBondContact CD-O 3.32Å; R65-D98 PolarHBondContact NH1-O 3.39Å; R65-D98 VanDerWaalsContact NH1-O 3.15Å; R65-E103 IonicContact CZ-OE1 3.99Å; R65-E103 VanDerWaalsContact NH1-CD 3.29Å; R65-E103 IonicContact NH1-OE1 3.2Å; R65-E103 PolarHBondContact NH1-OE1 3.33Å; R65-E103 IonicContact NH1-OE2 3.96Å; R65-E103 PolarHBondContact NH1-OE2 2.87Å; R65-E103 IonicContact NH2-OE1 2.66Å; R65-E103 PolarHBondContact NH2-OE1 3.4Å; R65-E103 VanDerWaalsContact NH2-OE1 3.11Å
66	Q	96.4	Very high	95.7	Very high	68 Å²	68	62.8 Å²	62.8	32%	0.318	32%	0.318	S	S	.	.	H	α-helix	trans	-64.9	-43.8	174.9	-171.5	174.1	21.5	0	0	111.9	F44 F62 S63 R64 F69 Q70	F44-Q66 HydrophobicContact CB-CG 4.25Å; F44-Q66 HydrophobicContact CD1-CB 3.68Å; F44-Q66 HydrophobicContact CD1-CG 3.74Å; F44-Q66 HydrophobicContact CE1-CB 3.67Å; F44-Q66 HydrophobicContact CE1-CG 4.27Å; F44-Q66 HydrophobicContact CG-CB 4.19Å; F44-Q66 HydrophobicContact CG-CG 4.02Å; F44-Q66 HydrophobicContact CZ-CB 4.2Å; F62-Q66 WeakPolarHBondContact O-CB 3.47Å; F62-Q66 PolarHBondContact O-N 3.33Å; S63-Q66 PolarHBondContact O-N 3.18Å; R64-Q66 VanDerWaalsContact C-N 3.32Å; R64-Q66 PolarHBondContact O-N 2.91Å; Q66-F69 PolarHBondContact O-N 2.93Å; Q66-Q70 WeakPolarHBondContact O-CG 3.19Å; Q66-Q70 PolarHBondContact O-N 3.3Å
67	I	96.4	Very high	95.8	Very high	90 Å²	90	60.1 Å²	60.1	46%	0.462	31%	0.308	S	S	.	.	H	α-helix	trans	-63	-46	175.8	-69.3	164.2	0	0	0	110.5	S63 R64 F69 Q70 N71	S63-I67 VanDerWaalsContact O-CG1 3.3Å; S63-I67 WeakPolarHBondContact O-CG1 3.12Å; S63-I67 PolarHBondContact O-N 2.89Å; R64-I67 PolarHBondContact O-N 3.4Å; I67-F69 VanDerWaalsContact C-N 3.29Å; I67-F69 PolarHBondContact O-N 3.2Å; I67-Q70 PolarHBondContact O-N 3.08Å; I67-N71 WeakPolarHBondContact O-CB 3.46Å; I67-N71 VanDerWaalsContact O-CG 3.26Å; I67-N71 PolarHBondContact O-N 2.83Å; I67-N71 PolarHBondContact O-ND2 2.87Å
68	N	98.1	Very high	96	Very high	16 Å²	16	63 Å²	63	9%	0.086	31%	0.311	C	S	.	.	H	α-helix	trans	-58.8	-41.8	176.4	-75.6	-14.9	0	0	0	112.1	R64 R65 N71 A72 D98 S100 E103	R64-N68 PolarHBondContact O-N 2.81Å; R65-N68 PolarHBondContact O-N 2.83Å; N68-N71 CarbonylContact O-C 3.57Å; N68-N71 PolarHBondContact O-N 3.14Å; N68-A72 PolarHBondContact O-N 3.49Å; N68-D98 WeakPolarHBondContact CB-O 3.25Å; N68-D98 PolarHBondContact ND2-O 2.76Å; N68-S100 PolarHBondContact ND2-N 3.07Å; N68-E103 PolarHBondContact ND2-OE2 3.26Å
69	F	97.3	Very high	96.2	Very high	13 Å²	13	56.6 Å²	56.6	6%	0.057	28%	0.277	C	S	.	.	H	α-helix	trans	-62.5	-42.7	176.1	-178.6	-100.3	0	0	0	112.8	I42 F44 F47 R65 Q66 I67 N71 A72 A73 I93 S97	I42-F69 HydrophobicContact CG2-CZ 4.44Å; I42-F69 WeakPolarHBondContact O-CZ 3.08Å; F44-F69 HydrophobicContact CB-CD1 3.95Å; F44-F69 HydrophobicContact CB-CE1 4.25Å; F44-F69 HydrophobicContact CD2-CB 3.63Å; F44-F69 AromaticContact CD2-CD1 3.8Å; F44-F69 HydrophobicContact CD2-CD1 3.8Å; F44-F69 HydrophobicContact CD2-CD2 4.23Å; F44-F69 AromaticContact CD2-CG 3.61Å; F44-F69 HydrophobicContact CD2-CG 3.61Å; F44-F69 HydrophobicContact CE2-CB 3.93Å; F44-F69 HydrophobicContact CE2-CG 4.3Å; F44-F69 HydrophobicContact CG-CD1 4.32Å; F47-F69 HydrophobicContact CB-CD2 4.27Å; F47-F69 HydrophobicContact CB-CE2 3.63Å; F47-F69 HydrophobicContact CB-CZ 3.81Å; F47-F69 HydrophobicContact CD1-CD2 4.14Å; F47-F69 HydrophobicContact CD1-CE2 4.26Å; F47-F69 AromaticContact CD2-CD2 3.87Å; F47-F69 HydrophobicContact CD2-CD2 3.87Å; F47-F69 AromaticContact CD2-CE2 3.38Å; F47-F69 HydrophobicContact CD2-CE2 3.38Å; F47-F69 HydrophobicContact CD2-CZ 4.33Å; F47-F69 HydrophobicContact CE2-CD2 4.22Å; F47-F69 HydrophobicContact CE2-CE2 4.08Å; F47-F69 AromaticContact CG-CD2 3.82Å; F47-F69 HydrophobicContact CG-CD2 3.82Å; F47-F69 AromaticContact CG-CE2 3.48Å; F47-F69 HydrophobicContact CG-CE2 3.48Å; F47-F69 VanDerWaalsContact CG-CE2 3.48Å; F47-F69 HydrophobicContact CG-CZ 4.2Å; R65-F69 WeakPolarHBondContact O-CB 3.37Å; R65-F69 PolarHBondContact O-N 2.94Å; Q66-F69 PolarHBondContact O-N 2.93Å; I67-F69 VanDerWaalsContact C-N 3.29Å; I67-F69 PolarHBondContact O-N 3.2Å; F69-N71 VanDerWaalsContact C-N 3.35Å; F69-A72 WeakPolarHBondContact O-CB 3.08Å; F69-A72 PolarHBondContact O-N 3.19Å; F69-A73 PolarHBondContact O-N 3.48Å; F69-I93 HydrophobicContact CD2-CD1 4.27Å; F69-I93 HydrophobicContact CE2-CD1 3.5Å; F69-I93 HydrophobicContact CE2-CG1 4.36Å; F69-I93 HydrophobicContact CE2-CG2 3.97Å; F69-I93 HydrophobicContact CZ-CD1 3.84Å; F69-S97 VanDerWaalsContact CA-O 3.24Å; F69-S97 WeakPolarHBondContact CA-O 3.38Å
70	Q	95.2	Very high	96.1	Very high	88 Å²	88	57.7 Å²	57.7	41%	0.411	28%	0.281	S	S	.	.	H	α-helix	trans	-63	-42.3	173.5	-70.1	169.6	-8.7	0	0	111.6	Q66 I67 A72 A73 V74	Q66-Q70 WeakPolarHBondContact O-CG 3.19Å; Q66-Q70 PolarHBondContact O-N 3.3Å; I67-Q70 PolarHBondContact O-N 3.08Å; Q70-A72 VanDerWaalsContact C-N 3.26Å; Q70-A72 PolarHBondContact O-N 3.5Å; Q70-A73 PolarHBondContact O-N 3.11Å; Q70-V74 PolarHBondContact O-N 3.46Å
71	N	96.4	Very high	96	Very high	85 Å²	85	53.8 Å²	53.8	46%	0.455	27%	0.272	S	S	.	.	H	α-helix	trans	-65	-30.7	176.2	-69.6	-24.3	0	0	0	112.3	I67 N68 F69 V74 R75	I67-N71 WeakPolarHBondContact O-CB 3.46Å; I67-N71 VanDerWaalsContact O-CG 3.26Å; I67-N71 PolarHBondContact O-N 2.83Å; I67-N71 PolarHBondContact O-ND2 2.87Å; N68-N71 CarbonylContact O-C 3.57Å; N68-N71 PolarHBondContact O-N 3.14Å; F69-N71 VanDerWaalsContact C-N 3.35Å; N71-V74 PolarHBondContact O-N 3.08Å; N71-R75 WeakPolarHBondContact O-CB 3.46Å; N71-R75 PolarHBondContact O-N 2.92Å
72	A	97.1	Very high	95.6	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.5	-43.6	174	0	0	0	0	0	111.4	N68 F69 Q70 V74 R75 H76 S97	N68-A72 PolarHBondContact O-N 3.49Å; F69-A72 WeakPolarHBondContact O-CB 3.08Å; F69-A72 PolarHBondContact O-N 3.19Å; Q70-A72 VanDerWaalsContact C-N 3.26Å; Q70-A72 PolarHBondContact O-N 3.5Å; A72-V74 VanDerWaalsContact C-N 3.32Å; A72-V74 PolarHBondContact O-N 3.24Å; A72-R75 CarbonylContact O-C 3.6Å; A72-R75 WeakPolarHBondContact O-CA 3.47Å; A72-R75 WeakPolarHBondContact O-CB 3.17Å; A72-R75 PolarHBondContact O-N 2.95Å; A72-R75 VanDerWaalsContact O-N 3.09Å; A72-H76 PolarHBondContact O-CD2 3.25Å; A72-H76 PolarHBondContact O-N 3.3Å; A72-H76 PolarHBondContact O-ND1 3.5Å; A72-H76 PolarHBondContact O-NE2 3.26Å; A72-S97 WeakPolarHBondContact CB-O 3.42Å
73	A	93.6	Very high	94.8	Very high	17 Å²	17	57.3 Å²	57.3	14%	0.14	29%	0.292	C	S	.	.	H	α-helix	trans	-59.3	-42	177.3	0	0	0	0	0	112.5	F69 Q70 H76 L77	F69-A73 PolarHBondContact O-N 3.48Å; Q70-A73 PolarHBondContact O-N 3.11Å; A73-H76 PolarHBondContact O-N 2.97Å; A73-L77 WeakPolarHBondContact O-CG 3.35Å; A73-L77 PolarHBondContact O-N 2.78Å
74	V	94.8	Very high	93.6	Very high	76 Å²	76	58.4 Å²	58.4	46%	0.461	31%	0.312	S	S	.	.	H	α-helix	trans	-63.4	-43.9	174.8	179.6	0	0	0	0	111	L37 Q70 N71 A72 H76 L77 Y78	L37-V74 HydrophobicContact CD1-CG2 4.09Å; Q70-V74 PolarHBondContact O-N 3.46Å; N71-V74 PolarHBondContact O-N 3.08Å; A72-V74 VanDerWaalsContact C-N 3.32Å; A72-V74 PolarHBondContact O-N 3.24Å; V74-H76 VanDerWaalsContact C-N 3.34Å; V74-H76 PolarHBondContact O-N 3.33Å; V74-L77 PolarHBondContact O-N 3.34Å; V74-Y78 PolarHBondContact O-N 2.79Å
75	R	95.6	Very high	92.7	Very high	34 Å²	34	57.6 Å²	57.6	13%	0.128	31%	0.313	C	S	.	.	H	α-helix	trans	-62.4	-40.4	177.6	-177	172.1	63.4	-108	2.1	111.9	N71 A72 L77 Y78 L79 Q101 D271	N71-R75 WeakPolarHBondContact O-CB 3.46Å; N71-R75 PolarHBondContact O-N 2.92Å; A72-R75 CarbonylContact O-C 3.6Å; A72-R75 WeakPolarHBondContact O-CA 3.47Å; A72-R75 WeakPolarHBondContact O-CB 3.17Å; A72-R75 PolarHBondContact O-N 2.95Å; A72-R75 VanDerWaalsContact O-N 3.09Å; R75-L77 PolarHBondContact O-N 3.39Å; R75-Y78 PolarHBondContact O-N 2.81Å; R75-L79 HydrophobicContact CG-CD1 3.92Å; R75-L79 HydrophobicContact CG-CG 4.28Å; R75-L79 VanDerWaalsContact O-CG 3.31Å; R75-L79 WeakPolarHBondContact O-CG 3.18Å; R75-L79 PolarHBondContact O-N 3Å; R75-Q101 VanDerWaalsContact CD-NE2 3.31Å; R75-D271 IonicContact CZ-OD1 2.71Å; R75-D271 IonicContact CZ-OD2 3.11Å; R75-D271 IonicContact NE-OD2 3.72Å; R75-D271 PolarHBondContact NE-OD2 2.73Å; R75-D271 VanDerWaalsContact NH2-CG 3.35Å; R75-D271 IonicContact NH2-OD1 3.2Å; R75-D271 PolarHBondContact NH2-OD1 3.27Å; R75-D271 IonicContact NH2-OD2 3.02Å; R75-D271 PolarHBondContact NH2-OD2 3.34Å
76	H	95.7	Very high	91.8	Very high	11 Å²	11	63.7 Å²	63.7	5%	0.051	35%	0.352	C	S	.	.	H	α-helix	trans	-62	-42.2	177	-56.7	157.9	0	0	0	111.6	A72 A73 V74 Y78 L79 N80 G92 D271	A72-H76 PolarHBondContact O-CD2 3.25Å; A72-H76 PolarHBondContact O-N 3.3Å; A72-H76 PolarHBondContact O-ND1 3.5Å; A72-H76 PolarHBondContact O-NE2 3.26Å; A73-H76 PolarHBondContact O-N 2.97Å; V74-H76 VanDerWaalsContact C-N 3.34Å; V74-H76 PolarHBondContact O-N 3.33Å; H76-Y78 VanDerWaalsContact C-N 3.32Å; H76-Y78 PolarHBondContact O-N 2.79Å; H76-L79 PolarHBondContact O-N 2.9Å; H76-N80 VanDerWaalsContact O-CB 3.26Å; H76-N80 WeakPolarHBondContact O-CB 3.33Å; H76-N80 VanDerWaalsContact O-CG 3.28Å; H76-N80 PolarHBondContact O-N 3.37Å; H76-N80 PolarHBondContact O-ND2 3.23Å; H76-G92 PolarHBondContact CE1-O 2.81Å; H76-G92 PolarHBondContact NE2-O 2.85Å; H76-D271 VanDerWaalsContact CD2-CB 3.46Å; H76-D271 WeakPolarHBondContact CD2-CB 3.5Å; H76-D271 VanDerWaalsContact CD2-CG 3.5Å; H76-D271 IonicContact CD2-OD1 3.6Å; H76-D271 IonicContact CD2-OD2 2.76Å; H76-D271 IonicContact CE1-OD1 3.82Å; H76-D271 VanDerWaalsContact NE2-CB 3.33Å; H76-D271 WeakPolarHBondContact NE2-CB 3.26Å; H76-D271 IonicContact NE2-OD1 3.35Å; H76-D271 PolarHBondContact NE2-OD1 2.88Å; H76-D271 IonicContact NE2-OD2 3.25Å
77	L	94.6	Very high	91.5	Very high	95 Å²	95	64.4 Å²	64.4	50%	0.497	36%	0.355	S	S	.	.	H	α-helix	trans	-59.4	-44	175.4	-68.7	172	0	0	0	111.6	L37 A73 V74 R75 S81	L37-L77 HydrophobicContact CD2-CD1 4.29Å; A73-L77 WeakPolarHBondContact O-CG 3.35Å; A73-L77 PolarHBondContact O-N 2.78Å; V74-L77 PolarHBondContact O-N 3.34Å; R75-L77 PolarHBondContact O-N 3.39Å; L77-S81 PolarHBondContact O-N 3.11Å; L77-S81 VanDerWaalsContact O-N 3.08Å
78	Y	95.4	Very high	91.4	Very high	138 Å²	138	60.6 Å²	60.6	54%	0.541	34%	0.337	S	S	.	.	H	α-helix	trans	-65.2	-46.8	176.8	172.8	-101.7	0	0	0	112.7	V74 R75 H76 N80 S81 F82 H280	V74-Y78 PolarHBondContact O-N 2.79Å; R75-Y78 PolarHBondContact O-N 2.81Å; H76-Y78 VanDerWaalsContact C-N 3.32Å; H76-Y78 PolarHBondContact O-N 2.79Å; Y78-N80 VanDerWaalsContact C-N 3.32Å; Y78-N80 PolarHBondContact O-N 2.82Å; Y78-S81 PolarHBondContact O-N 3.41Å; Y78-S81 PolarHBondContact O-OG 3.11Å; Y78-F82 HydrophobicContact CD2-CE2 4.43Å; Y78-F82 AromaticContact CE2-CE2 3.94Å; Y78-F82 HydrophobicContact CE2-CE2 3.94Å; Y78-F82 HydrophobicContact CE2-CZ 4.47Å; Y78-F82 WeakPolarHBondContact O-CD2 3.45Å; Y78-H280 AromaticContact CE1-CE1 3.96Å; Y78-H280 AromaticContact CE1-ND1 3.8Å
79	L	95.5	Very high	91.4	Very high	6 Å²	6	60 Å²	60	3%	0.031	34%	0.335	C	S	.	.	H	α-helix	trans	-64.5	-38.5	179.5	-66.6	171.8	0	0	0	111.5	R75 H76 S81 Y91 H280	R75-L79 HydrophobicContact CG-CD1 3.92Å; R75-L79 HydrophobicContact CG-CG 4.28Å; R75-L79 VanDerWaalsContact O-CG 3.31Å; R75-L79 WeakPolarHBondContact O-CG 3.18Å; R75-L79 PolarHBondContact O-N 3Å; H76-L79 PolarHBondContact O-N 2.9Å; L79-S81 VanDerWaalsContact C-N 3.34Å; L79-S81 PolarHBondContact O-N 3.2Å; L79-Y91 HydrophobicContact CB-CD1 4.24Å; L79-Y91 HydrophobicContact CB-CD2 3.49Å; L79-Y91 VanDerWaalsContact CB-CD2 3.49Å; L79-Y91 HydrophobicContact CB-CE2 3.94Å; L79-Y91 HydrophobicContact CB-CG 3.65Å; L79-Y91 HydrophobicContact CD1-CD1 3.64Å; L79-Y91 HydrophobicContact CD1-CD2 4.43Å; L79-Y91 HydrophobicContact CD1-CE1 4.16Å; L79-Y91 HydrophobicContact CD1-CG 3.78Å; L79-Y91 HydrophobicContact CG-CD1 4.47Å; L79-Y91 HydrophobicContact CG-CG 4.32Å; L79-H280 HydrophobicContact CD2-CB 3.61Å; L79-H280 VanDerWaalsContact CD2-CG 3.42Å; L79-H280 PolarHBondContact O-NE2 2.75Å
80	N	95.4	Very high	91.3	Very high	53 Å²	53	62.7 Å²	62.7	28%	0.283	35%	0.352	S	S	.	.	H	α-helix	trans	-77.1	-15.7	179.5	-69.8	-39.8	0	0	0	113.4	H76 Y78 F82 S83 Y91	H76-N80 VanDerWaalsContact O-CB 3.26Å; H76-N80 WeakPolarHBondContact O-CB 3.33Å; H76-N80 VanDerWaalsContact O-CG 3.28Å; H76-N80 PolarHBondContact O-N 3.37Å; H76-N80 PolarHBondContact O-ND2 3.23Å; Y78-N80 VanDerWaalsContact C-N 3.32Å; Y78-N80 PolarHBondContact O-N 2.82Å; N80-F82 PolarHBondContact O-N 3.36Å; N80-S83 VanDerWaalsContact O-CB 3.31Å; N80-S83 WeakPolarHBondContact O-CB 3.11Å; N80-S83 PolarHBondContact O-N 3.47Å; N80-S83 PolarHBondContact O-OG 2.83Å; N80-Y91 PolarHBondContact ND2-O 3.3Å; N80-Y91 WeakPolarHBondContact OD1-CD2 3.42Å; N80-Y91 PolarHBondContact OD1-N 2.81Å
81	S	93.9	Very high	91.4	Very high	86 Å²	86	59 Å²	59	60%	0.601	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-9.7	178.9	75.3	0	0	0	0	113.9	L77 Y78 L79	L77-S81 PolarHBondContact O-N 3.11Å; L77-S81 VanDerWaalsContact O-N 3.08Å; Y78-S81 PolarHBondContact O-N 3.41Å; Y78-S81 PolarHBondContact O-OG 3.11Å; L79-S81 VanDerWaalsContact C-N 3.34Å; L79-S81 PolarHBondContact O-N 3.2Å
82	F	87.3	Confident	91.4	Very high	96 Å²	96	55.5 Å²	55.5	42%	0.421	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	4.7	176.6	-65.5	-102	0	0	0	112.7	Y78 N80 G84 H280	Y78-F82 HydrophobicContact CD2-CE2 4.43Å; Y78-F82 AromaticContact CE2-CE2 3.94Å; Y78-F82 HydrophobicContact CE2-CE2 3.94Å; Y78-F82 HydrophobicContact CE2-CZ 4.47Å; Y78-F82 WeakPolarHBondContact O-CD2 3.45Å; N80-F82 PolarHBondContact O-N 3.36Å; F82-G84 PolarHBondContact O-N 3.19Å; F82-H280 AromaticContact CD2-CE1 3.21Å; F82-H280 WeakPolarHBondContact CD2-CE1 3.11Å; F82-H280 AromaticContact CD2-NE2 3.39Å; F82-H280 WeakPolarHBondContact CD2-NE2 3.39Å; F82-H280 AromaticContact CE2-CE1 3.56Å; F82-H280 AromaticContact CG-CE1 3.68Å; F82-H280 AromaticContact CG-NE2 3.58Å
83	S	80.7	Confident	91.4	Very high	47 Å²	47	56.5 Å²	56.5	33%	0.329	32%	0.323	S	S	.	.			trans	-77.4	70.9	175.4	-61.9	0	0	0	0	110.7	N80 Q85 A89	N80-S83 VanDerWaalsContact O-CB 3.31Å; N80-S83 WeakPolarHBondContact O-CB 3.11Å; N80-S83 PolarHBondContact O-N 3.47Å; N80-S83 PolarHBondContact O-OG 2.83Å; S83-Q85 VanDerWaalsContact C-N 3.35Å; S83-A89 PolarHBondContact OG-O 3.5Å; S83-A89 VanDerWaalsContact OG-O 3.09Å
84	G	71.4	Confident	91.6	Very high	75 Å²	75	55.9 Å²	55.9	77%	0.773	32%	0.317	S	S	*	.			trans	-81.9	-10.1	-179.7	0	0	0	0	0	114.6	F82	F82-G84 PolarHBondContact O-N 3.19Å
85	Q	77.3	Confident	91.7	Very high	98 Å²	98	53.2 Å²	53.2	46%	0.458	30%	0.3	S	S	.	.	S	Bend	trans	-128.4	153.4	-175.3	-61.3	178.2	12.6	0	0	110.7	S83 Q87 S88 I301	S83-Q85 VanDerWaalsContact C-N 3.35Å; Q85-Q87 PolarHBondContact O-N 2.91Å; Q85-Q87 VanDerWaalsContact O-N 3.13Å; Q85-S88 PolarHBondContact N-OG 2.89Å; Q85-S88 WeakPolarHBondContact O-CB 3.44Å; Q85-S88 PolarHBondContact O-N 3.49Å; Q85-S88 VanDerWaalsContact O-N 3.09Å; Q85-S88 PolarHBondContact O-OG 2.82Å; Q85-I301 HydrophobicContact CB-CD1 4.3Å; Q85-I301 VanDerWaalsContact OE1-CG1 3.29Å
86	T	79.8	Confident	91.8	Very high	145 Å²	145	51.9 Å²	51.9	89%	0.89	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-23.7	-176.8	47.8	0	0	0	0	113.9
87	Q	90.4	Very high	91.9	Very high	83 Å²	83	51.4 Å²	51.4	39%	0.388	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	3.1	180	-62.3	-177.9	-25.5	0	0	113.7	Q85 I276 I301	Q85-Q87 PolarHBondContact O-N 2.91Å; Q85-Q87 VanDerWaalsContact O-N 3.13Å; Q87-I276 HydrophobicContact CB-CD1 4.06Å; Q87-I276 PolarHBondContact O-N 2.75Å; Q87-I301 HydrophobicContact CB-CD1 3.92Å
88	S	94.9	Very high	92.1	Very high	10 Å²	10	46.9 Å²	46.9	7%	0.07	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-60.8	150	178.6	-70.6	0	0	0	0	112.1	Q85 T90 Q278	Q85-S88 PolarHBondContact N-OG 2.89Å; Q85-S88 WeakPolarHBondContact O-CB 3.44Å; Q85-S88 PolarHBondContact O-N 3.49Å; Q85-S88 VanDerWaalsContact O-N 3.09Å; Q85-S88 PolarHBondContact O-OG 2.82Å; S88-T90 PolarHBondContact O-N 2.89Å; S88-Q278 PolarHBondContact OG-NE2 3.08Å; S88-Q278 VanDerWaalsContact OG-NE2 3.12Å
89	A	96.9	Very high	92.2	Very high	5 Å²	5	40.8 Å²	40.8	4%	0.041	25%	0.246	C	C	.	.			trans	-56.9	137.7	175	0	0	0	0	0	112	S83 Y91 Y272 G274 I276 I277	S83-A89 PolarHBondContact OG-O 3.5Å; S83-A89 VanDerWaalsContact OG-O 3.09Å; A89-Y91 HydrophobicContact CB-CE2 3.73Å; A89-Y272 HydrophobicContact CB-CD2 4.1Å; A89-Y272 HydrophobicContact CB-CE2 4.06Å; A89-G274 CarbonylContact C-O 3.48Å; A89-G274 VanDerWaalsContact CA-O 3.28Å; A89-G274 WeakPolarHBondContact CA-O 3.31Å; A89-I276 WeakPolarHBondContact CB-O 3.35Å; A89-I276 PolarHBondContact N-O 2.93Å; A89-I277 HydrophobicContact CB-CB 4.45Å; A89-I277 HydrophobicContact CB-CG1 3.8Å
90	T	96.5	Very high	92.3	Very high	68 Å²	68	42.1 Å²	42.1	42%	0.417	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	138.4	175.1	56.4	0	0	0	0	109.7	S88 L273 G274	S88-T90 PolarHBondContact O-N 2.89Å; T90-L273 PolarHBondContact O-N 2.82Å; T90-G274 PolarHBondContact N-O 2.98Å; T90-G274 PolarHBondContact OG1-O 3.33Å
91	Y	97.1	Very high	92.4	Very high	12 Å²	12	43.1 Å²	43.1	5%	0.047	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	142.8	-177.5	-56.6	-93.9	0	0	0	110.5	L79 N80 A89 S268 D271	L79-Y91 HydrophobicContact CB-CD1 4.24Å; L79-Y91 HydrophobicContact CB-CD2 3.49Å; L79-Y91 VanDerWaalsContact CB-CD2 3.49Å; L79-Y91 HydrophobicContact CB-CE2 3.94Å; L79-Y91 HydrophobicContact CB-CG 3.65Å; L79-Y91 HydrophobicContact CD1-CD1 3.64Å; L79-Y91 HydrophobicContact CD1-CD2 4.43Å; L79-Y91 HydrophobicContact CD1-CE1 4.16Å; L79-Y91 HydrophobicContact CD1-CG 3.78Å; L79-Y91 HydrophobicContact CG-CD1 4.47Å; L79-Y91 HydrophobicContact CG-CG 4.32Å; N80-Y91 PolarHBondContact ND2-O 3.3Å; N80-Y91 WeakPolarHBondContact OD1-CD2 3.42Å; N80-Y91 PolarHBondContact OD1-N 2.81Å; A89-Y91 HydrophobicContact CB-CE2 3.73Å; Y91-S268 WeakPolarHBondContact CE1-O 3.37Å; Y91-D271 CarbonylContact C-O 3.56Å; Y91-D271 WeakPolarHBondContact CA-O 3.47Å; Y91-D271 HydrophobicContact CD1-CB 4.43Å
92	G	96.6	Very high	92.5	Very high	10 Å²	10	45.6 Å²	45.6	10%	0.103	26%	0.262	C	S	.	.			trans	-177.6	-167.4	-177.6	0	0	0	0	0	114.1	H76 N94 D271	H76-G92 PolarHBondContact CE1-O 2.81Å; H76-G92 PolarHBondContact NE2-O 2.85Å; G92-N94 PolarHBondContact O-N 3.49Å; G92-D271 PolarHBondContact N-O 2.98Å
93	I	96.8	Very high	93.1	Very high	21 Å²	21	42.7 Å²	42.7	11%	0.108	25%	0.25	C	C	.	.			trans	-67.6	119.9	-173.5	-57.1	-65.3	0	0	0	111.5	F47 F51 F69 S97	F47-I93 HydrophobicContact CD2-CG2 3.65Å; F47-I93 HydrophobicContact CE2-CG2 4.05Å; F51-I93 HydrophobicContact CE2-CG2 4.3Å; F69-I93 HydrophobicContact CD2-CD1 4.27Å; F69-I93 HydrophobicContact CE2-CD1 3.5Å; F69-I93 HydrophobicContact CE2-CG1 4.36Å; F69-I93 HydrophobicContact CE2-CG2 3.97Å; F69-I93 HydrophobicContact CZ-CD1 3.84Å; I93-S97 WeakPolarHBondContact CA-OG 3.24Å
94	N	97.1	Very high	93.9	Very high	5 Å²	5	40.4 Å²	40.4	3%	0.027	23%	0.234	C	C	.	.			trans	-140.2	-173.6	174.3	72.4	23	0	0	0	110.9	F47 G92 F96 S97 Q270 D271 L273	F47-N94 VanDerWaalsContact CE2-O 3.28Å; F47-N94 WeakPolarHBondContact CE2-O 3.21Å; G92-N94 PolarHBondContact O-N 3.49Å; N94-F96 PolarHBondContact O-N 2.95Å; N94-F96 PolarHBondContact OD1-N 2.95Å; N94-S97 PolarHBondContact N-OG 3.39Å; N94-S97 PolarHBondContact O-N 3.31Å; N94-S97 VanDerWaalsContact O-N 3.1Å; N94-S97 PolarHBondContact O-OG 2.9Å; N94-Q270 PolarHBondContact ND2-O 2.7Å; N94-Q270 PolarHBondContact OD1-O 3.48Å; N94-D271 WeakPolarHBondContact ND2-CA 3.35Å; N94-L273 HydrophobicContact CB-CD2 4.04Å
95	Q	97.3	Very high	95.1	Very high	19 Å²	19	41.3 Å²	41.3	9%	0.089	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-3	-175.7	71.5	-90.5	40.5	0	0	115.6	F51 R53 W310 T313	F51-Q95 HydrophobicContact CD1-CB 3.58Å; F51-Q95 HydrophobicContact CE1-CB 3.66Å; F51-Q95 HydrophobicContact CG-CB 4.42Å; R53-Q95 PolarHBondContact NH2-O 2.98Å; Q95-W310 PolarHBondContact NE2-O 3.45Å; Q95-T313 PolarHBondContact NE2-OG1 3.48Å
96	F	98.2	Very high	96	Very high	7 Å²	7	40.1 Å²	40.1	3%	0.031	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	1.6	178.4	-55.3	-55.5	0	0	0	113	N94 D98 L99 F104 Y108 Q270 W310 W314	N94-F96 PolarHBondContact O-N 2.95Å; N94-F96 PolarHBondContact OD1-N 2.95Å; F96-D98 PolarHBondContact O-N 2.98Å; F96-D98 VanDerWaalsContact O-N 3.15Å; F96-L99 HydrophobicContact CB-CD1 4.43Å; F96-L99 HydrophobicContact CD1-CD1 4.08Å; F96-L99 WeakPolarHBondContact O-CB 2.98Å; F96-L99 PolarHBondContact O-N 2.71Å; F96-F104 HydrophobicContact CB-CD2 4.08Å; F96-F104 HydrophobicContact CB-CE2 4.15Å; F96-F104 HydrophobicContact CD1-CD2 4.19Å; F96-F104 HydrophobicContact CD1-CE2 4.01Å; F96-F104 HydrophobicContact CD2-CD2 4.41Å; F96-F104 AromaticContact CD2-CE2 3.66Å; F96-F104 HydrophobicContact CD2-CE2 3.66Å; F96-F104 HydrophobicContact CD2-CZ 4.4Å; F96-F104 HydrophobicContact CE1-CE2 4.32Å; F96-F104 AromaticContact CE2-CE2 3.98Å; F96-F104 HydrophobicContact CE2-CE2 3.98Å; F96-F104 AromaticContact CG-CD2 3.98Å; F96-F104 HydrophobicContact CG-CD2 3.98Å; F96-F104 AromaticContact CG-CE2 3.67Å; F96-F104 HydrophobicContact CG-CE2 3.67Å; F96-F104 HydrophobicContact CZ-CE2 4.29Å; F96-Y108 HydrophobicContact CD1-CE2 4.08Å; F96-Y108 HydrophobicContact CE1-CD1 4.25Å; F96-Y108 HydrophobicContact CE1-CD2 4.48Å; F96-Y108 AromaticContact CE1-CE1 3.63Å; F96-Y108 HydrophobicContact CE1-CE1 3.63Å; F96-Y108 AromaticContact CE1-CE2 3.92Å; F96-Y108 HydrophobicContact CE1-CE2 3.92Å; F96-Y108 AromaticContact CE1-CZ 3.46Å; F96-Y108 VanDerWaalsContact CE1-CZ 3.46Å; F96-Y108 HydrophobicContact CZ-CD1 4.41Å; F96-Y108 HydrophobicContact CZ-CE1 4.1Å; F96-Q270 HydrophobicContact CB-CG 3.79Å; F96-Q270 PolarHBondContact O-NE2 3.41Å; F96-W310 HydrophobicContact CE2-CB 3.97Å; F96-W310 HydrophobicContact CE2-CD2 4.06Å; F96-W310 AromaticContact CE2-CE3 3.87Å; F96-W310 HydrophobicContact CE2-CE3 3.87Å; F96-W310 HydrophobicContact CE2-CG 4.1Å; F96-W310 HydrophobicContact CZ-CB 3.9Å; F96-W310 HydrophobicContact CZ-CD2 4.37Å; F96-W310 HydrophobicContact CZ-CG 4.03Å; F96-W314 AromaticContact CD2-CD1 3.86Å; F96-W314 AromaticContact CE2-CD1 3.62Å; F96-W314 HydrophobicContact CE2-CG 4.26Å
97	S	97.6	Very high	96.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-13.1	-173.9	-58.7	0	0	0	0	114.1	F69 A72 I93 N94	F69-S97 VanDerWaalsContact CA-O 3.24Å; F69-S97 WeakPolarHBondContact CA-O 3.38Å; A72-S97 WeakPolarHBondContact CB-O 3.42Å; I93-S97 WeakPolarHBondContact CA-OG 3.24Å; N94-S97 PolarHBondContact N-OG 3.39Å; N94-S97 PolarHBondContact O-N 3.31Å; N94-S97 VanDerWaalsContact O-N 3.1Å; N94-S97 PolarHBondContact O-OG 2.9Å
98	D	97.4	Very high	97.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	3.4	171.7	57.9	-10.6	0	0	0	114.2	F44 F47 R53 Y55 R65 N68 F96	F44-D98 HydrophobicContact CE2-CB 4.39Å; F47-D98 HydrophobicContact CE1-CB 3.62Å; F47-D98 WeakPolarHBondContact CE1-OD2 3.34Å; F47-D98 HydrophobicContact CZ-CB 3.89Å; R53-D98 IonicContact CZ-OD1 3.9Å; R53-D98 IonicContact CZ-OD2 3.53Å; R53-D98 IonicContact NE-OD1 3.86Å; R53-D98 IonicContact NE-OD2 2.77Å; R53-D98 PolarHBondContact NE-OD2 3.47Å; R53-D98 IonicContact NH2-OD1 3Å; R53-D98 PolarHBondContact NH2-OD1 2.95Å; R53-D98 IonicContact NH2-OD2 3.98Å; R53-D98 PolarHBondContact NH2-OD2 3.18Å; Y55-D98 PolarHBondContact OH-OD2 3.34Å; R65-D98 HydrophobicContact CB-CB 4.29Å; R65-D98 WeakPolarHBondContact CD-O 3.32Å; R65-D98 PolarHBondContact NH1-O 3.39Å; R65-D98 VanDerWaalsContact NH1-O 3.15Å; N68-D98 WeakPolarHBondContact CB-O 3.25Å; N68-D98 PolarHBondContact ND2-O 2.76Å; F96-D98 PolarHBondContact O-N 2.98Å; F96-D98 VanDerWaalsContact O-N 3.15Å
99	L	98.3	Very high	97.3	Very high	11 Å²	11	33 Å²	33	6%	0.058	17%	0.169	C	C	.	.	S	Bend	trans	-99.1	142.3	173.3	-52.9	-177.7	0	0	0	110.5	F96 E103 F104 Y108 Q270	F96-L99 HydrophobicContact CB-CD1 4.43Å; F96-L99 HydrophobicContact CD1-CD1 4.08Å; F96-L99 WeakPolarHBondContact O-CB 2.98Å; F96-L99 PolarHBondContact O-N 2.71Å; L99-E103 HydrophobicContact CB-CB 4.37Å; L99-F104 HydrophobicContact CB-CB 4.43Å; L99-F104 HydrophobicContact CD1-CD2 4.27Å; L99-Y108 HydrophobicContact CD1-CD2 4.38Å; L99-Y108 HydrophobicContact CD1-CE2 3.62Å; L99-Q270 PolarHBondContact O-NE2 3.41Å
100	S	98.1	Very high	97.3	Very high	33 Å²	33	37.4 Å²	37.4	23%	0.231	19%	0.185	C	C	.	.			trans	-68.1	159.3	160.7	64.3	0	0	0	0	110.1	N68 M102 E103 F104	N68-S100 PolarHBondContact ND2-N 3.07Å; S100-M102 PolarHBondContact O-N 2.75Å; S100-E103 WeakPolarHBondContact CB-OE2 3.17Å; S100-E103 PolarHBondContact N-OE2 2.91Å; S100-E103 PolarHBondContact O-N 2.92Å; S100-E103 WeakPolarHBondContact OG-CB 3.47Å; S100-E103 VanDerWaalsContact OG-CG 3.27Å; S100-E103 WeakPolarHBondContact OG-CG 3.21Å; S100-E103 PolarHBondContact OG-N 3.31Å; S100-E103 PolarHBondContact OG-OE2 3.46Å; S100-F104 WeakPolarHBondContact O-CB 3.48Å; S100-F104 PolarHBondContact O-N 2.93Å
101	Q	97	Very high	97.4	Very high	74 Å²	74	34.6 Å²	34.6	35%	0.346	17%	0.169	S	C	.	.	H	α-helix	trans	-60.3	-31.4	175.2	-80.9	-169.5	-20.9	0	0	112.7	R75 K105 V267	R75-Q101 VanDerWaalsContact CD-NE2 3.31Å; Q101-K105 VanDerWaalsContact O-CB 3.23Å; Q101-K105 WeakPolarHBondContact O-CB 3.2Å; Q101-K105 PolarHBondContact O-N 2.91Å; Q101-V267 HydrophobicContact CB-CG1 4.16Å; Q101-V267 HydrophobicContact CG-CG1 4.06Å
102	M	97.1	Very high	97.2	Very high	139 Å²	139	38.3 Å²	38.3	69%	0.685	19%	0.187	S	C	*	.	H	α-helix	trans	-69	-49.1	177.2	-173.2	175.3	-69.8	0	0	111	S100 F104 K105 D106	S100-M102 PolarHBondContact O-N 2.75Å; M102-F104 VanDerWaalsContact C-N 3.29Å; M102-F104 PolarHBondContact O-N 3.44Å; M102-K105 PolarHBondContact O-N 2.89Å; M102-D106 WeakPolarHBondContact O-CB 3.15Å; M102-D106 VanDerWaalsContact O-CG 3.26Å; M102-D106 PolarHBondContact O-N 3.42Å
103	E	97.9	Very high	96.8	Very high	34 Å²	34	40.8 Å²	40.8	16%	0.159	20%	0.202	C	C	.	.	H	α-helix	trans	-59.3	-42.4	174.1	-71.5	168.2	113.2	0	0	111.5	R64 R65 N68 L99 S100 D106 I107	R64-E103 IonicContact CZ-OE1 3.97Å; R64-E103 IonicContact NE-OE1 2.79Å; R64-E103 IonicContact NH1-OE1 3.89Å; R64-E103 IonicContact NH2-OE1 3.91Å; R65-E103 IonicContact CZ-OE1 3.99Å; R65-E103 VanDerWaalsContact NH1-CD 3.29Å; R65-E103 IonicContact NH1-OE1 3.2Å; R65-E103 PolarHBondContact NH1-OE1 3.33Å; R65-E103 IonicContact NH1-OE2 3.96Å; R65-E103 PolarHBondContact NH1-OE2 2.87Å; R65-E103 IonicContact NH2-OE1 2.66Å; R65-E103 PolarHBondContact NH2-OE1 3.4Å; R65-E103 VanDerWaalsContact NH2-OE1 3.11Å; N68-E103 PolarHBondContact ND2-OE2 3.26Å; L99-E103 HydrophobicContact CB-CB 4.37Å; S100-E103 WeakPolarHBondContact CB-OE2 3.17Å; S100-E103 PolarHBondContact N-OE2 2.91Å; S100-E103 PolarHBondContact O-N 2.92Å; S100-E103 WeakPolarHBondContact OG-CB 3.47Å; S100-E103 VanDerWaalsContact OG-CG 3.27Å; S100-E103 WeakPolarHBondContact OG-CG 3.21Å; S100-E103 PolarHBondContact OG-N 3.31Å; S100-E103 PolarHBondContact OG-OE2 3.46Å; E103-D106 PolarHBondContact O-N 2.87Å; E103-I107 WeakPolarHBondContact O-CB 3.49Å; E103-I107 WeakPolarHBondContact O-CD1 3.34Å; E103-I107 WeakPolarHBondContact O-CG1 3.2Å; E103-I107 PolarHBondContact O-N 3.24Å
104	F	98.4	Very high	96.1	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.1	-48.4	177.3	-178.8	-105.8	0	0	0	111.6	F96 L99 S100 M102 D106 I107 Y108 L109 Q270 W310	F96-F104 HydrophobicContact CB-CD2 4.08Å; F96-F104 HydrophobicContact CB-CE2 4.15Å; F96-F104 HydrophobicContact CD1-CD2 4.19Å; F96-F104 HydrophobicContact CD1-CE2 4.01Å; F96-F104 HydrophobicContact CD2-CD2 4.41Å; F96-F104 AromaticContact CD2-CE2 3.66Å; F96-F104 HydrophobicContact CD2-CE2 3.66Å; F96-F104 HydrophobicContact CD2-CZ 4.4Å; F96-F104 HydrophobicContact CE1-CE2 4.32Å; F96-F104 AromaticContact CE2-CE2 3.98Å; F96-F104 HydrophobicContact CE2-CE2 3.98Å; F96-F104 AromaticContact CG-CD2 3.98Å; F96-F104 HydrophobicContact CG-CD2 3.98Å; F96-F104 AromaticContact CG-CE2 3.67Å; F96-F104 HydrophobicContact CG-CE2 3.67Å; F96-F104 HydrophobicContact CZ-CE2 4.29Å; L99-F104 HydrophobicContact CB-CB 4.43Å; L99-F104 HydrophobicContact CD1-CD2 4.27Å; S100-F104 WeakPolarHBondContact O-CB 3.48Å; S100-F104 PolarHBondContact O-N 2.93Å; M102-F104 VanDerWaalsContact C-N 3.29Å; M102-F104 PolarHBondContact O-N 3.44Å; F104-D106 PolarHBondContact O-N 2.88Å; F104-I107 PolarHBondContact O-N 3.47Å; F104-Y108 AromaticContact CD2-CD2 3.47Å; F104-Y108 HydrophobicContact CD2-CD2 3.47Å; F104-Y108 VanDerWaalsContact CD2-CD2 3.47Å; F104-Y108 HydrophobicContact CD2-CE2 4.11Å; F104-Y108 HydrophobicContact CD2-CG 4.1Å; F104-Y108 AromaticContact CE2-CD2 3.73Å; F104-Y108 HydrophobicContact CE2-CD2 3.73Å; F104-Y108 HydrophobicContact CE2-CE2 4.45Å; F104-Y108 AromaticContact CE2-CG 3.89Å; F104-Y108 HydrophobicContact CE2-CG 3.89Å; F104-Y108 HydrophobicContact CG-CD2 4.3Å; F104-Y108 WeakPolarHBondContact O-CB 3.47Å; F104-Y108 WeakPolarHBondContact O-CD2 3.49Å; F104-Y108 PolarHBondContact O-N 3.02Å; F104-L109 HydrophobicContact CD1-CD1 3.84Å; F104-L109 HydrophobicContact CD1-CD2 4.4Å; F104-L109 HydrophobicContact CD1-CG 4.1Å; F104-L109 HydrophobicContact CE1-CD1 3.77Å; F104-L109 HydrophobicContact CE1-CD2 3.7Å; F104-L109 HydrophobicContact CE1-CG 3.9Å; F104-L109 HydrophobicContact CZ-CD2 4.14Å; F104-Q270 HydrophobicContact CB-CG 4.18Å; F104-Q270 HydrophobicContact CD1-CB 3.62Å; F104-Q270 HydrophobicContact CD1-CG 3.89Å; F104-Q270 HydrophobicContact CD2-CB 4.32Å; F104-Q270 HydrophobicContact CD2-CG 3.79Å; F104-Q270 HydrophobicContact CE1-CB 3.63Å; F104-Q270 HydrophobicContact CE1-CG 4.19Å; F104-Q270 HydrophobicContact CE2-CB 4.35Å; F104-Q270 HydrophobicContact CE2-CG 4.12Å; F104-Q270 HydrophobicContact CG-CB 3.97Å; F104-Q270 HydrophobicContact CG-CG 3.67Å; F104-Q270 HydrophobicContact CZ-CB 4.02Å; F104-Q270 HydrophobicContact CZ-CG 4.3Å; F104-W310 AromaticContact CE1-CH2 3.94Å; F104-W310 HydrophobicContact CE1-CH2 3.94Å; F104-W310 HydrophobicContact CE1-CZ2 4.34Å; F104-W310 HydrophobicContact CE1-CZ3 4.36Å; F104-W310 HydrophobicContact CZ-CD2 4.34Å; F104-W310 HydrophobicContact CZ-CE3 4.02Å; F104-W310 AromaticContact CZ-CH2 3.45Å; F104-W310 HydrophobicContact CZ-CH2 3.45Å; F104-W310 VanDerWaalsContact CZ-CH2 3.45Å; F104-W310 AromaticContact CZ-CZ2 3.74Å; F104-W310 HydrophobicContact CZ-CZ2 3.74Å; F104-W310 AromaticContact CZ-CZ3 3.58Å; F104-W310 HydrophobicContact CZ-CZ3 3.58Å
105	K	97.1	Very high	95.7	Very high	93 Å²	93	46.7 Å²	46.7	40%	0.404	25%	0.246	S	C	.	.	H	α-helix	trans	-58.3	-48.8	176.3	-177.5	-179.5	176.1	-179.6	0	111.7	Q101 M102 I107 L109 V267	Q101-K105 VanDerWaalsContact O-CB 3.23Å; Q101-K105 WeakPolarHBondContact O-CB 3.2Å; Q101-K105 PolarHBondContact O-N 2.91Å; M102-K105 PolarHBondContact O-N 2.89Å; K105-I107 PolarHBondContact O-N 3.13Å; K105-L109 HydrophobicContact CB-CD1 4.24Å; K105-L109 HydrophobicContact CG-CB 4.24Å; K105-L109 HydrophobicContact CG-CD1 4.38Å; K105-L109 CarbonylContact O-C 3.26Å; K105-L109 WeakPolarHBondContact O-CA 3.29Å; K105-L109 PolarHBondContact O-N 2.99Å; K105-V267 HydrophobicContact CD-CG2 4.41Å
106	D	96.7	Very high	95.5	Very high	74 Å²	74	46.5 Å²	46.5	40%	0.396	25%	0.247	S	C	.	.	H	α-helix	trans	-72.2	-13	-175	-70.3	-15.1	0	0	0	113.7	M102 E103 F104 R110	M102-D106 WeakPolarHBondContact O-CB 3.15Å; M102-D106 VanDerWaalsContact O-CG 3.26Å; M102-D106 PolarHBondContact O-N 3.42Å; E103-D106 PolarHBondContact O-N 2.87Å; F104-D106 PolarHBondContact O-N 2.88Å; D106-R110 VanDerWaalsContact O-CZ 3.26Å; D106-R110 PolarHBondContact O-NE 3.47Å; D106-R110 PolarHBondContact O-NH2 2.81Å
107	I	96.6	Very high	95.4	Very high	54 Å²	54	50 Å²	50	28%	0.277	27%	0.271	S	S	.	.	H	α-helix	trans	-105.5	-43.7	177.2	-63.4	167.7	0	0	0	111.3	E103 F104 K105 A147 C148 G149	E103-I107 WeakPolarHBondContact O-CB 3.49Å; E103-I107 WeakPolarHBondContact O-CD1 3.34Å; E103-I107 WeakPolarHBondContact O-CG1 3.2Å; E103-I107 PolarHBondContact O-N 3.24Å; F104-I107 PolarHBondContact O-N 3.47Å; K105-I107 PolarHBondContact O-N 3.13Å; I107-A147 HydrophobicContact CG2-CB 3.87Å; I107-C148 CarbonylContact O-C 3.57Å; I107-G149 WeakPolarHBondContact O-CA 3.31Å; I107-G149 PolarHBondContact O-N 2.99Å
108	Y	98.1	Very high	95.4	Very high	27 Å²	27	52 Å²	52	11%	0.106	29%	0.292	C	S	.	.	H	α-helix	trans	-108	-25.1	-166.6	-61.8	-85.2	0	0	0	114.3	F96 L99 F104 Q145 L146	F96-Y108 HydrophobicContact CD1-CE2 4.08Å; F96-Y108 HydrophobicContact CE1-CD1 4.25Å; F96-Y108 HydrophobicContact CE1-CD2 4.48Å; F96-Y108 AromaticContact CE1-CE1 3.63Å; F96-Y108 HydrophobicContact CE1-CE1 3.63Å; F96-Y108 AromaticContact CE1-CE2 3.92Å; F96-Y108 HydrophobicContact CE1-CE2 3.92Å; F96-Y108 AromaticContact CE1-CZ 3.46Å; F96-Y108 VanDerWaalsContact CE1-CZ 3.46Å; F96-Y108 HydrophobicContact CZ-CD1 4.41Å; F96-Y108 HydrophobicContact CZ-CE1 4.1Å; L99-Y108 HydrophobicContact CD1-CD2 4.38Å; L99-Y108 HydrophobicContact CD1-CE2 3.62Å; F104-Y108 AromaticContact CD2-CD2 3.47Å; F104-Y108 HydrophobicContact CD2-CD2 3.47Å; F104-Y108 VanDerWaalsContact CD2-CD2 3.47Å; F104-Y108 HydrophobicContact CD2-CE2 4.11Å; F104-Y108 HydrophobicContact CD2-CG 4.1Å; F104-Y108 AromaticContact CE2-CD2 3.73Å; F104-Y108 HydrophobicContact CE2-CD2 3.73Å; F104-Y108 HydrophobicContact CE2-CE2 4.45Å; F104-Y108 AromaticContact CE2-CG 3.89Å; F104-Y108 HydrophobicContact CE2-CG 3.89Å; F104-Y108 HydrophobicContact CG-CD2 4.3Å; F104-Y108 WeakPolarHBondContact O-CB 3.47Å; F104-Y108 WeakPolarHBondContact O-CD2 3.49Å; F104-Y108 PolarHBondContact O-N 3.02Å; Y108-Q145 HydrophobicContact CD1-CG 4.28Å; Y108-Q145 PolarHBondContact O-NE2 3.3Å; Y108-L146 WeakPolarHBondContact CD1-O 3.45Å; Y108-L146 WeakPolarHBondContact CE1-O 3.34Å
109	L	97.4	Very high	95.4	Very high	6 Å²	6	53.1 Å²	53.1	3%	0.031	30%	0.297	C	S	.	.			trans	-112.2	53.4	-170.5	-43	-177.8	0	0	0	111.3	F104 K105 A266 V267 N287 H288 W310	F104-L109 HydrophobicContact CD1-CD1 3.84Å; F104-L109 HydrophobicContact CD1-CD2 4.4Å; F104-L109 HydrophobicContact CD1-CG 4.1Å; F104-L109 HydrophobicContact CE1-CD1 3.77Å; F104-L109 HydrophobicContact CE1-CD2 3.7Å; F104-L109 HydrophobicContact CE1-CG 3.9Å; F104-L109 HydrophobicContact CZ-CD2 4.14Å; K105-L109 HydrophobicContact CB-CD1 4.24Å; K105-L109 HydrophobicContact CG-CB 4.24Å; K105-L109 HydrophobicContact CG-CD1 4.38Å; K105-L109 CarbonylContact O-C 3.26Å; K105-L109 WeakPolarHBondContact O-CA 3.29Å; K105-L109 PolarHBondContact O-N 2.99Å; L109-A266 HydrophobicContact CD2-CB 4.11Å; L109-V267 HydrophobicContact CD1-CB 4.47Å; L109-V267 HydrophobicContact CD1-CG2 3.95Å; L109-N287 CarbonylContact C-O 3.5Å; L109-N287 VanDerWaalsContact CA-O 3.27Å; L109-N287 WeakPolarHBondContact CA-O 3.45Å; L109-N287 HydrophobicContact CB-CB 4.1Å; L109-N287 WeakPolarHBondContact CD1-OD1 3.28Å; L109-H288 HydrophobicContact CB-CB 4.46Å; L109-H288 HydrophobicContact CD2-CB 3.85Å; L109-W310 HydrophobicContact CD2-CH2 3.8Å; L109-W310 HydrophobicContact CD2-CZ2 3.37Å
110	R	96.8	Very high	95	Very high	98 Å²	98	59.5 Å²	59.5	37%	0.37	34%	0.336	S	S	.	.			trans	-98.6	31.7	-177.1	-65.1	-71.8	-162.2	150.5	-4.2	113.1	D106 S190 G191 G192 N287	D106-R110 VanDerWaalsContact O-CZ 3.26Å; D106-R110 PolarHBondContact O-NE 3.47Å; D106-R110 PolarHBondContact O-NH2 2.81Å; R110-S190 WeakPolarHBondContact CD-O 3.38Å; R110-G191 CarbonylContact O-C 3.55Å; R110-G191 WeakPolarHBondContact O-CA 3.42Å; R110-G192 PolarHBondContact O-N 2.81Å; R110-N287 PolarHBondContact N-O 3.23Å
111	A	97.1	Very high	94.6	Very high	9 Å²	9	60 Å²	60	7%	0.074	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-85.7	139.8	173.9	0	0	0	0	0	111.3	G192 I263 N287 A289	A111-G192 CarbonylContact C-O 3.54Å; A111-G192 VanDerWaalsContact CA-O 3.29Å; A111-G192 WeakPolarHBondContact CA-O 3.17Å; A111-I263 HydrophobicContact CB-CG2 4.16Å; A111-N287 WeakPolarHBondContact CB-O 3.4Å; A111-N287 PolarHBondContact N-O 3.36Å; A111-A289 HydrophobicContact CB-CB 3.77Å
112	E	94	Very high	93.9	Very high	91 Å²	91	61.6 Å²	61.6	43%	0.425	37%	0.365	S	S	.	.			trans	-104.7	124.8	175.1	-66.9	-179.8	-173.9	0	0	110.5	G192 S193 I263	E112-G192 PolarHBondContact N-O 2.81Å; E112-S193 VanDerWaalsContact O-CB 3.25Å; E112-S193 WeakPolarHBondContact O-CB 3.49Å; E112-S193 PolarHBondContact O-OG 2.81Å; E112-I263 VanDerWaalsContact O-CD1 3.31Å; E112-I263 WeakPolarHBondContact O-CD1 3.14Å
113	S	87.1	Confident	93.3	Very high	61 Å²	61	58 Å²	58	43%	0.427	35%	0.352	S	S	.	.			trans	-79.9	129.7	175.3	-167.9	0	0	0	0	111.6
114	S	83.4	Confident	92.7	Very high	25 Å²	25	62.1 Å²	62.1	18%	0.175	37%	0.365	C	S	.	.			trans	-93	143.2	168	-59.9	0	0	0	0	110	A116 S193 S195 S334	S114-A116 PolarHBondContact O-N 3.12Å; S114-S193 PolarHBondContact OG-OG 2.84Å; S114-S195 PolarHBondContact OG-OG 3.41Å; S114-S334 PolarHBondContact O-OG 2.88Å; S114-S334 VanDerWaalsContact O-OG 3.14Å
115	S	87.9	Confident	92.2	Very high	125 Å²	125	66.6 Å²	66.6	87%	0.874	40%	0.402	S	S	*	.			trans	-60.7	113.3	168.6	-175.2	0	0	0	0	109.2
116	A	93.9	Very high	91.9	Very high	15 Å²	15	66 Å²	66	12%	0.124	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-99.1	134.8	178.3	0	0	0	0	0	109.6	S114 L240 H241	S114-A116 PolarHBondContact O-N 3.12Å; A116-L240 HydrophobicContact CB-CD1 4.24Å; A116-L240 HydrophobicContact CB-CD2 4.35Å; A116-L240 HydrophobicContact CB-CG 3.85Å; A116-H241 VanDerWaalsContact CB-C 3.5Å
117	P	96.6	Very high	91.9	Very high	81 Å²	81	64.1 Å²	64.1	53%	0.526	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-63.3	144.9	173.6	27.9	-34.2	0	0	0	110	F119 L240 H241 S242	P117-F119 PolarHBondContact O-N 2.95Å; P117-L240 WeakPolarHBondContact CD-O 3.2Å; P117-H241 CarbonylContact O-C 3.09Å; P117-H241 VanDerWaalsContact O-CA 3.25Å; P117-H241 WeakPolarHBondContact O-CA 3.23Å; P117-S242 PolarHBondContact O-N 2.82Å
118	G	96.6	Very high	91.9	Very high	43 Å²	43	64.3 Å²	64.3	44%	0.443	42%	0.418	S	S	.	.	B	Isolated β-bridge	trans	-54.8	140.7	172.6	0	0	0	0	0	111.1	V120	G118-V120 PolarHBondContact O-N 2.97Å
119	F	96.8	Very high	91.9	Very high	23 Å²	23	65.5 Å²	65.5	10%	0.101	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-62.8	127.6	175.5	-178.5	-107.1	0	0	0	110.3	P117 G121 H241 S242 F243 Q246 A249 Q253	P117-F119 PolarHBondContact O-N 2.95Å; F119-G121 VanDerWaalsContact CE1-CA 3.42Å; F119-H241 HydrophobicContact CB-CB 4.11Å; F119-H241 HydrophobicContact CD2-CB 4.32Å; F119-S242 PolarHBondContact N-O 3.24Å; F119-F243 HydrophobicContact CB-CD1 3.72Å; F119-F243 HydrophobicContact CB-CE1 3.51Å; F119-F243 HydrophobicContact CB-CG 4.44Å; F119-F243 HydrophobicContact CB-CZ 4.04Å; F119-F243 HydrophobicContact CD1-CD1 4.2Å; F119-F243 AromaticContact CD1-CE1 3.72Å; F119-F243 HydrophobicContact CD1-CE1 3.72Å; F119-F243 HydrophobicContact CD2-CD1 4.39Å; F119-F243 AromaticContact CD2-CE1 3.36Å; F119-F243 HydrophobicContact CD2-CE1 3.36Å; F119-F243 AromaticContact CD2-CZ 3.54Å; F119-F243 HydrophobicContact CD2-CZ 3.54Å; F119-F243 HydrophobicContact CE1-CE1 4.23Å; F119-F243 AromaticContact CE2-CE1 3.92Å; F119-F243 HydrophobicContact CE2-CE1 3.92Å; F119-F243 HydrophobicContact CE2-CZ 4.13Å; F119-F243 AromaticContact CG-CD1 3.87Å; F119-F243 HydrophobicContact CG-CD1 3.87Å; F119-F243 AromaticContact CG-CE1 3.23Å; F119-F243 HydrophobicContact CG-CE1 3.23Å; F119-F243 AromaticContact CG-CZ 3.86Å; F119-F243 HydrophobicContact CG-CZ 3.86Å; F119-F243 HydrophobicContact CZ-CE1 4.32Å; F119-Q246 PolarHBondContact O-NE2 3.16Å; F119-A249 HydrophobicContact CD1-CB 3.9Å; F119-A249 HydrophobicContact CE1-CB 3.86Å; F119-Q253 HydrophobicContact CE2-CG 4.33Å
120	V	91.1	Very high	91.9	Very high	144 Å²	144	70.4 Å²	70.4	87%	0.873	45%	0.454	S	S	*	.			trans	-117.8	86.6	175.5	-174.7	0	0	0	0	107.3	G118	G118-V120 PolarHBondContact O-N 2.97Å
121	G	88.6	Confident	92	Very high	43 Å²	43	67.2 Å²	67.2	44%	0.443	44%	0.443	S	S	.	.	S	Bend	trans	-165.5	172.3	179.3	0	0	0	0	0	110.5	F119	F119-G121 VanDerWaalsContact CE1-CA 3.42Å
122	S	81.8	Confident	92.1	Very high	109 Å²	109	67.2 Å²	67.2	76%	0.762	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-86.1	145.4	177.1	52.9	0	0	0	0	111.7
123	T	85.3	Confident	92.3	Very high	64 Å²	64	64 Å²	64	39%	0.393	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-63.7	135.6	164.1	-52	0	0	0	0	109.3	E248	T123-E248 HydrophobicContact CG2-CB 4.01Å; T123-E248 VanDerWaalsContact CG2-CD 3.47Å; T123-E248 HydrophobicContact CG2-CG 3.54Å
124	R	85.8	Confident	92.8	Very high	119 Å²	119	65.1 Å²	65.1	45%	0.449	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-77.1	125.4	178.2	-177.4	168.7	179.3	175.2	1.4	109.7	L127	R124-L127 HydrophobicContact CB-CD1 4.44Å; R124-L127 HydrophobicContact CB-CD2 4.11Å; R124-L127 HydrophobicContact CB-CG 4.23Å; R124-L127 HydrophobicContact CG-CD2 4.03Å; R124-L127 HydrophobicContact CG-CG 4.4Å
125	A	87	Confident	93.5	Very high	94 Å²	94	69.9 Å²	69.9	78%	0.777	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	150.4	172.5	0	0	0	0	0	111.5
126	G	91.8	Very high	94	Very high	81 Å²	81	70.4 Å²	70.4	84%	0.835	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.3	29	172.6	0	0	0	0	0	114.7
127	L	96	Very high	94.1	Very high	34 Å²	34	72.1 Å²	72.1	18%	0.178	45%	0.45	C	S	.	.			trans	-63.9	141	170.2	-67.4	174.6	0	0	0	110.2	R124 M251 V255	R124-L127 HydrophobicContact CB-CD1 4.44Å; R124-L127 HydrophobicContact CB-CD2 4.11Å; R124-L127 HydrophobicContact CB-CG 4.23Å; R124-L127 HydrophobicContact CG-CD2 4.03Å; R124-L127 HydrophobicContact CG-CG 4.4Å; L127-M251 HydrophobicContact CD1-CB 3.81Å; L127-V255 HydrophobicContact CD2-CB 4.1Å; L127-V255 HydrophobicContact CD2-CG1 4.26Å; L127-V255 HydrophobicContact CD2-CG2 4.08Å
128	P	97.1	Very high	94.1	Very high	59 Å²	59	68.9 Å²	68.9	38%	0.383	43%	0.428	S	S	.	.			trans	-64.5	146.9	173.6	29.4	-35	0	0	0	109.7	K130 F131 Y295	P128-K130 PolarHBondContact O-N 2.79Å; P128-F131 HydrophobicContact CG-CB 4.08Å; P128-F131 HydrophobicContact CG-CD2 3.94Å; P128-F131 HydrophobicContact CG-CG 4.44Å; P128-Y295 WeakPolarHBondContact O-CE2 3.41Å; P128-Y295 PolarHBondContact O-OH 2.99Å
129	A	97.5	Very high	94.2	Very high	52 Å²	52	67.7 Å²	67.7	43%	0.43	41%	0.412	S	S	.	.	S	Bend	trans	-66.6	-23.1	177.7	0	0	0	0	0	113	T297 T298	A129-T297 PolarHBondContact O-N 2.86Å; A129-T297 PolarHBondContact O-OG1 3.44Å; A129-T298 HydrophobicContact CB-CG2 3.85Å
130	K	98.4	Very high	94.2	Very high	109 Å²	109	66.8 Å²	66.8	47%	0.474	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	134.5	174.4	-179	178.8	-172.6	137.2	0	109.6	P128 Y295 D296 T298	P128-K130 PolarHBondContact O-N 2.79Å; K130-Y295 WeakPolarHBondContact CA-O 3.43Å; K130-D296 WeakPolarHBondContact CD-OD2 3.16Å; K130-D296 WeakPolarHBondContact CE-OD2 3.36Å; K130-D296 HydrophobicContact CG-CB 4.2Å; K130-D296 IonicContact NZ-OD2 2.78Å; K130-D296 PolarHBondContact NZ-OD2 2.8Å; K130-T298 HydrophobicContact CB-CG2 4.26Å
131	F	98.6	Very high	94.5	Very high	30 Å²	30	63.9 Å²	63.9	13%	0.132	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	134.1	177.4	-171.3	-90.6	0	0	0	110.7	P128 W133 V255 G294 Y295	P128-F131 HydrophobicContact CG-CB 4.08Å; P128-F131 HydrophobicContact CG-CD2 3.94Å; P128-F131 HydrophobicContact CG-CG 4.44Å; F131-W133 AromaticContact CE1-CD1 3.7Å; F131-W133 AromaticContact CE1-CD2 3.7Å; F131-W133 HydrophobicContact CE1-CD2 3.7Å; F131-W133 AromaticContact CE1-CE2 3.45Å; F131-W133 VanDerWaalsContact CE1-CE2 3.45Å; F131-W133 HydrophobicContact CE1-CE3 4.38Å; F131-W133 AromaticContact CE1-CG 3.86Å; F131-W133 HydrophobicContact CE1-CG 3.86Å; F131-W133 AromaticContact CE1-CZ2 3.93Å; F131-W133 HydrophobicContact CE1-CZ2 3.93Å; F131-W133 AromaticContact CE1-NE1 3.47Å; F131-W133 AromaticContact CZ-CD2 3.96Å; F131-W133 HydrophobicContact CZ-CD2 3.96Å; F131-W133 AromaticContact CZ-CE2 3.72Å; F131-W133 HydrophobicContact CZ-CE3 4.22Å; F131-W133 HydrophobicContact CZ-CH2 4.04Å; F131-W133 AromaticContact CZ-CZ2 3.76Å; F131-W133 HydrophobicContact CZ-CZ2 3.76Å; F131-W133 HydrophobicContact CZ-CZ3 4.27Å; F131-V255 HydrophobicContact CB-CG2 4.31Å; F131-V255 HydrophobicContact CD1-CG2 3.95Å; F131-V255 HydrophobicContact CD2-CG2 4.04Å; F131-V255 HydrophobicContact CE1-CG2 4.28Å; F131-V255 HydrophobicContact CE2-CG1 4.32Å; F131-V255 HydrophobicContact CE2-CG2 4.35Å; F131-V255 HydrophobicContact CG-CG2 3.82Å; F131-V255 HydrophobicContact CZ-CG2 4.47Å; F131-G294 CarbonylContact O-C 3.52Å; F131-G294 WeakPolarHBondContact O-CA 3.46Å; F131-Y295 HydrophobicContact CB-CD1 4.28Å; F131-Y295 HydrophobicContact CB-CE1 3.73Å; F131-Y295 HydrophobicContact CB-CE2 4.34Å; F131-Y295 PolarHBondContact N-O 3.21Å; F131-Y295 PolarHBondContact O-N 3.35Å
132	D	98.7	Very high	95	Very high	9 Å²	9	63 Å²	63	5%	0.048	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	119.1	179.7	-166.3	-23	0	0	0	110.7	R134 D135 I305	D132-R134 VanDerWaalsContact CG-NE 3.34Å; D132-R134 PolarHBondContact O-N 2.81Å; D132-R134 WeakPolarHBondContact OD1-CB 3.39Å; D132-R134 WeakPolarHBondContact OD1-CG 3.27Å; D132-R134 PolarHBondContact OD1-N 3.45Å; D132-R134 IonicContact OD1-NE 3.09Å; D132-R134 PolarHBondContact OD1-NE 2.63Å; D132-R134 VanDerWaalsContact OD1-NE 3.09Å; D132-R134 IonicContact OD2-CZ 3.13Å; D132-R134 IonicContact OD2-NE 2.81Å; D132-R134 PolarHBondContact OD2-NE 3.34Å; D132-R134 IonicContact OD2-NH2 2.65Å; D132-R134 PolarHBondContact OD2-NH2 3.46Å; D132-D135 WeakPolarHBondContact O-CB 3.44Å; D132-D135 PolarHBondContact O-N 2.97Å; D132-I305 HydrophobicContact CB-CD1 4.2Å; D132-I305 WeakPolarHBondContact OD2-CD1 3.34Å
133	W	98.6	Very high	95.7	Very high	25 Å²	25	59.4 Å²	59.4	10%	0.095	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-66	-18.2	177.1	-80	116.3	0	0	0	113	F131 D135 K136 V138 V139 M166 L254 P259 V293	F131-W133 AromaticContact CE1-CD1 3.7Å; F131-W133 AromaticContact CE1-CD2 3.7Å; F131-W133 HydrophobicContact CE1-CD2 3.7Å; F131-W133 AromaticContact CE1-CE2 3.45Å; F131-W133 VanDerWaalsContact CE1-CE2 3.45Å; F131-W133 HydrophobicContact CE1-CE3 4.38Å; F131-W133 AromaticContact CE1-CG 3.86Å; F131-W133 HydrophobicContact CE1-CG 3.86Å; F131-W133 AromaticContact CE1-CZ2 3.93Å; F131-W133 HydrophobicContact CE1-CZ2 3.93Å; F131-W133 AromaticContact CE1-NE1 3.47Å; F131-W133 AromaticContact CZ-CD2 3.96Å; F131-W133 HydrophobicContact CZ-CD2 3.96Å; F131-W133 AromaticContact CZ-CE2 3.72Å; F131-W133 HydrophobicContact CZ-CE3 4.22Å; F131-W133 HydrophobicContact CZ-CH2 4.04Å; F131-W133 AromaticContact CZ-CZ2 3.76Å; F131-W133 HydrophobicContact CZ-CZ2 3.76Å; F131-W133 HydrophobicContact CZ-CZ3 4.27Å; W133-D135 VanDerWaalsContact C-N 3.31Å; W133-D135 PolarHBondContact O-N 3.01Å; W133-K136 HydrophobicContact CE3-CB 3.99Å; W133-K136 HydrophobicContact CE3-CG 3.88Å; W133-K136 HydrophobicContact CZ3-CB 4.35Å; W133-K136 HydrophobicContact CZ3-CG 4.1Å; W133-K136 PolarHBondContact O-N 3.15Å; W133-K136 VanDerWaalsContact O-N 3.17Å; W133-V138 HydrophobicContact CB-CG2 4Å; W133-V138 HydrophobicContact CD2-CG2 4.07Å; W133-V138 HydrophobicContact CE3-CG2 3.47Å; W133-V138 VanDerWaalsContact CE3-CG2 3.47Å; W133-V138 HydrophobicContact CG-CG2 4.34Å; W133-V138 HydrophobicContact CZ3-CG2 4.27Å; W133-V139 HydrophobicContact CB-CG2 3.53Å; W133-M166 HydrophobicContact CD2-SD 4.28Å; W133-M166 HydrophobicContact CE3-CG 4.29Å; W133-M166 HydrophobicContact CE3-SD 4.13Å; W133-M166 HydrophobicContact CH2-CE 3.32Å; W133-M166 HydrophobicContact CH2-CG 4.17Å; W133-M166 HydrophobicContact CH2-SD 3.69Å; W133-M166 HydrophobicContact CZ2-CE 3.55Å; W133-M166 HydrophobicContact CZ2-SD 3.84Å; W133-M166 HydrophobicContact CZ3-CE 4Å; W133-M166 HydrophobicContact CZ3-CG 3.84Å; W133-M166 HydrophobicContact CZ3-SD 3.83Å; W133-L254 PolarHBondContact NE1-O 2.9Å; W133-P259 HydrophobicContact CB-CG 4.03Å; W133-P259 HydrophobicContact CG-CG 3.85Å; W133-V293 WeakPolarHBondContact CB-O 3.28Å; W133-V293 VanDerWaalsContact CD1-O 3.27Å; W133-V293 PolarHBondContact N-O 2.89Å
134	R	98.2	Very high	96.4	Very high	83 Å²	83	59.2 Å²	59.2	31%	0.313	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-64	-37.7	174.1	-60.6	177.4	-63	170.9	7.2	111.4	D132 K136 G137 V139 Y319	D132-R134 VanDerWaalsContact CG-NE 3.34Å; D132-R134 PolarHBondContact O-N 2.81Å; D132-R134 WeakPolarHBondContact OD1-CB 3.39Å; D132-R134 WeakPolarHBondContact OD1-CG 3.27Å; D132-R134 PolarHBondContact OD1-N 3.45Å; D132-R134 IonicContact OD1-NE 3.09Å; D132-R134 PolarHBondContact OD1-NE 2.63Å; D132-R134 VanDerWaalsContact OD1-NE 3.09Å; D132-R134 IonicContact OD2-CZ 3.13Å; D132-R134 IonicContact OD2-NE 2.81Å; D132-R134 PolarHBondContact OD2-NE 3.34Å; D132-R134 IonicContact OD2-NH2 2.65Å; D132-R134 PolarHBondContact OD2-NH2 3.46Å; R134-K136 PolarHBondContact O-N 3.4Å; R134-K136 VanDerWaalsContact O-N 3.11Å; R134-G137 PolarHBondContact O-N 3.5Å; R134-V139 HydrophobicContact CG-CB 4.02Å; R134-V139 HydrophobicContact CG-CG1 4.26Å; R134-V139 HydrophobicContact CG-CG2 4.05Å; R134-Y319 VanDerWaalsContact CD-CZ 3.47Å; R134-Y319 WeakPolarHBondContact CD-OH 3.28Å
135	D	97.9	Very high	97	Very high	126 Å²	126	53.6 Å²	53.6	67%	0.674	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-64.9	-16.9	177.2	-63.3	-18.8	0	0	0	112.6	D132 W133	D132-D135 WeakPolarHBondContact O-CB 3.44Å; D132-D135 PolarHBondContact O-N 2.97Å; W133-D135 VanDerWaalsContact C-N 3.31Å; W133-D135 PolarHBondContact O-N 3.01Å
136	K	96.8	Very high	97.5	Very high	135 Å²	135	53.4 Å²	53.4	59%	0.587	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-94.5	-3.5	175.8	-55.4	-57.5	-177	-174.4	0	113.3	W133 R134 V138	W133-K136 HydrophobicContact CE3-CB 3.99Å; W133-K136 HydrophobicContact CE3-CG 3.88Å; W133-K136 HydrophobicContact CZ3-CB 4.35Å; W133-K136 HydrophobicContact CZ3-CG 4.1Å; W133-K136 PolarHBondContact O-N 3.15Å; W133-K136 VanDerWaalsContact O-N 3.17Å; R134-K136 PolarHBondContact O-N 3.4Å; R134-K136 VanDerWaalsContact O-N 3.11Å; K136-V138 VanDerWaalsContact C-N 3.26Å; K136-V138 HydrophobicContact CB-CG1 4.41Å; K136-V138 HydrophobicContact CB-CG2 4.33Å; K136-V138 PolarHBondContact O-N 2.94Å
137	G	96.6	Very high	97.7	Very high	51 Å²	51	53 Å²	53	53%	0.526	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.9	23.6	179.2	0	0	0	0	0	114.3	R134 L171	R134-G137 PolarHBondContact O-N 3.5Å; G137-L171 WeakPolarHBondContact O-CD2 3.36Å
138	V	97.4	Very high	97.8	Very high	13 Å²	13	51.4 Å²	51.4	8%	0.079	29%	0.292	C	S	.	.			trans	-105.1	-6.1	-179.3	-58	0	0	0	0	113.4	W133 K136 A162 A165 M166 L171	W133-V138 HydrophobicContact CB-CG2 4Å; W133-V138 HydrophobicContact CD2-CG2 4.07Å; W133-V138 HydrophobicContact CE3-CG2 3.47Å; W133-V138 VanDerWaalsContact CE3-CG2 3.47Å; W133-V138 HydrophobicContact CG-CG2 4.34Å; W133-V138 HydrophobicContact CZ3-CG2 4.27Å; K136-V138 VanDerWaalsContact C-N 3.26Å; K136-V138 HydrophobicContact CB-CG1 4.41Å; K136-V138 HydrophobicContact CB-CG2 4.33Å; K136-V138 PolarHBondContact O-N 2.94Å; V138-A162 WeakPolarHBondContact O-CA 3.41Å; V138-A162 WeakPolarHBondContact O-CB 3.46Å; V138-A165 HydrophobicContact CB-CB 3.95Å; V138-A165 HydrophobicContact CG1-CB 3.94Å; V138-M166 HydrophobicContact CB-CG 4.15Å; V138-M166 HydrophobicContact CG1-CG 3.99Å; V138-M166 HydrophobicContact CG2-CG 3.99Å; V138-L171 WeakPolarHBondContact O-CD1 3.42Å
139	V	98.1	Very high	97.9	Very high	18 Å²	18	48.7 Å²	48.7	11%	0.109	27%	0.274	C	S	.	.	S	Bend	trans	-92.5	120.1	178.1	-179.8	0	0	0	0	108.9	W133 R134 P259 V293	W133-V139 HydrophobicContact CB-CG2 3.53Å; R134-V139 HydrophobicContact CG-CB 4.02Å; R134-V139 HydrophobicContact CG-CG1 4.26Å; R134-V139 HydrophobicContact CG-CG2 4.05Å; V139-P259 HydrophobicContact CG2-CG 4.34Å; V139-V293 HydrophobicContact CG1-CG1 3.99Å; V139-V293 HydrophobicContact CG2-CB 4.12Å; V139-V293 HydrophobicContact CG2-CG1 4.01Å
140	A	96.8	Very high	97.9	Very high	4 Å²	4	46.2 Å²	46.2	3%	0.033	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-62	153.8	176.6	0	0	0	0	0	111.8	L171 Q307	A140-L171 HydrophobicContact CB-CD1 4.4Å; A140-Q307 PolarHBondContact O-NE2 3.34Å
141	P	97.4	Very high	97.9	Very high	84 Å²	84	41 Å²	41	55%	0.545	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-53.2	147.5	174.8	-26.6	34.5	0	0	0	112.7	Q143	P141-Q143 PolarHBondContact O-N 3.12Å
142	V	98.5	Very high	98	Very high	23 Å²	23	39.6 Å²	39.6	14%	0.139	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-56.5	130	173.7	171	0	0	0	0	109.6	Q307 T312 Y319	V142-Q307 HydrophobicContact CG2-CG 3.95Å; V142-T312 HydrophobicContact CB-CG2 3.87Å; V142-T312 HydrophobicContact CG1-CG2 4.19Å; V142-Y319 HydrophobicContact CG2-CD2 4.22Å; V142-Y319 HydrophobicContact CG2-CE2 3.63Å
143	Q	98.3	Very high	98	Very high	34 Å²	34	39.1 Å²	39.1	16%	0.159	22%	0.223	C	C	.	.			trans	-107	176.4	176.7	-59	-171.4	43.9	0	0	111.2	P141 F154 S309 G311	P141-Q143 PolarHBondContact O-N 3.12Å; Q143-F154 HydrophobicContact CB-CD1 3.91Å; Q143-F154 HydrophobicContact CB-CE1 3.49Å; Q143-F154 VanDerWaalsContact CB-CE1 3.49Å; Q143-F154 HydrophobicContact CG-CE1 4.32Å; Q143-S309 CarbonylContact O-C 3.58Å; Q143-S309 VanDerWaalsContact O-C 3.26Å; Q143-S309 WeakPolarHBondContact O-CA 3.18Å; Q143-G311 PolarHBondContact O-N 3.39Å
144	N	98.4	Very high	98	Very high	61 Å²	61	38.8 Å²	38.8	33%	0.326	22%	0.222	S	C	.	.	B	Isolated β-bridge	trans	-129.4	118.1	179.8	-165.7	-23.9	0	0	0	110.7	L146 S309	N144-L146 HydrophobicContact CB-CD2 4.41Å; N144-L146 PolarHBondContact O-N 2.92Å; N144-L146 PolarHBondContact OD1-N 2.93Å; N144-S309 CarbonylContact C-O 3.56Å; N144-S309 WeakPolarHBondContact CA-O 3.42Å
145	Q	98.3	Very high	98	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.208	C	C	.	.			trans	-73.8	-13	178	76.4	-174.8	74.4	0	0	113.3	Y108 C148 F154 Y216 S309 W310	Y108-Q145 HydrophobicContact CD1-CG 4.28Å; Y108-Q145 PolarHBondContact O-NE2 3.3Å; Q145-C148 PolarHBondContact NE2-O 3.37Å; Q145-F154 VanDerWaalsContact CA-CE2 3.45Å; Q145-F154 HydrophobicContact CB-CD2 3.74Å; Q145-F154 HydrophobicContact CB-CE2 3.35Å; Q145-F154 HydrophobicContact CB-CZ 4.1Å; Q145-Y216 PolarHBondContact O-OH 2.86Å; Q145-S309 WeakPolarHBondContact CG-O 3.43Å; Q145-S309 PolarHBondContact N-O 3.42Å; Q145-S309 PolarHBondContact OE1-OG 3.46Å; Q145-W310 VanDerWaalsContact OE1-CD1 3.32Å; Q145-W310 VanDerWaalsContact OE1-NE1 3.1Å
146	L	97.9	Very high	98	Very high	90 Å²	90	29 Å²	29	47%	0.471	18%	0.176	S	C	.	.			trans	53.6	-153.1	-176	-53.2	174	0	0	0	111.1	Y108 N144 C148 A218	Y108-L146 WeakPolarHBondContact CD1-O 3.45Å; Y108-L146 WeakPolarHBondContact CE1-O 3.34Å; N144-L146 HydrophobicContact CB-CD2 4.41Å; N144-L146 PolarHBondContact O-N 2.92Å; N144-L146 PolarHBondContact OD1-N 2.93Å; L146-C148 PolarHBondContact O-N 3.2Å; L146-A218 HydrophobicContact CB-CB 3.88Å; L146-A218 HydrophobicContact CD1-CB 3.89Å; L146-A218 HydrophobicContact CG-CB 4.38Å
147	A	96.6	Very high	98.1	Very high	72 Å²	72	22.6 Å²	22.6	60%	0.595	15%	0.148	S	C	*	.	S	Bend	trans	-79.9	53.9	179.8	0	0	0	0	0	112.7	I107	I107-A147 HydrophobicContact CG2-CB 3.87Å
148	C	98.3	Very high	98.2	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.014	13%	0.127	C	C	.	.	S	Bend	trans	-139	129.6	177.6	168.9	0	0	0	0	109.9	I107 Q145 L146 S150 C189 Y216 A218	I107-C148 CarbonylContact O-C 3.57Å; Q145-C148 PolarHBondContact NE2-O 3.37Å; L146-C148 PolarHBondContact O-N 3.2Å; C148-S150 PolarHBondContact O-N 2.89Å; C148-S150 PolarHBondContact O-OG 2.71Å; C148-S150 WeakPolarHBondContact SG-CB 3.35Å; C148-S150 PolarHBondContact SG-OG 3.08Å; C148-C189 HydrophobicContact CB-CB 3.92Å; C148-C189 WeakPolarHBondContact CB-SG 3.32Å; C148-C189 WeakPolarHBondContact SG-CA 3.47Å; C148-C189 WeakPolarHBondContact SG-CB 3.24Å; C148-C189 CovalentContact SG-SG 2.03Å; C148-C189 PolarHBondContact SG-SG 3.47Å; C148-Y216 WeakPolarHBondContact CB-OH 3.31Å; C148-A218 HydrophobicContact CB-CB 4.12Å
149	G	98.2	Very high	98.3	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.01	12%	0.123	C	C	.	.			trans	-72.9	54.3	-179.9	0	0	0	0	0	114.2	I107 W152 C189	I107-G149 WeakPolarHBondContact O-CA 3.31Å; I107-G149 PolarHBondContact O-N 2.99Å; G149-W152 VanDerWaalsContact O-CD1 3.3Å; G149-W152 PolarHBondContact O-NE1 3.43Å; G149-C189 VanDerWaalsContact CA-O 3.25Å; G149-C189 WeakPolarHBondContact CA-O 3.34Å; G149-C189 PolarHBondContact N-O 3.37Å
150	S	98.6	Very high	98.3	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.118	C	C	.	.			trans	-112.9	15.2	-169.5	55.6	0	0	0	0	114.3	C148 W152 A153 F154 Y216	C148-S150 PolarHBondContact O-N 2.89Å; C148-S150 PolarHBondContact O-OG 2.71Å; C148-S150 WeakPolarHBondContact SG-CB 3.35Å; C148-S150 PolarHBondContact SG-OG 3.08Å; S150-W152 PolarHBondContact O-N 3.43Å; S150-W152 VanDerWaalsContact O-N 3.12Å; S150-A153 WeakPolarHBondContact O-CA 3.37Å; S150-A153 WeakPolarHBondContact O-CB 3.42Å; S150-A153 PolarHBondContact O-N 3.17Å; S150-F154 WeakPolarHBondContact O-CD2 3.43Å; S150-F154 PolarHBondContact O-N 2.92Å; S150-F154 VanDerWaalsContact O-N 3.12Å; S150-F154 WeakPolarHBondContact OG-CE2 3.39Å; S150-Y216 PolarHBondContact OG-OH 2.94Å
151	C	98.7	Very high	98.4	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-52.8	-33.1	176.4	55.5	0	0	0	0	113.4	A153 F154 S155 H288	C151-A153 VanDerWaalsContact C-N 3.29Å; C151-A153 PolarHBondContact O-N 3.32Å; C151-F154 PolarHBondContact O-N 3.08Å; C151-S155 PolarHBondContact O-N 3.37Å; C151-S155 PolarHBondContact O-OG 3Å; C151-H288 WeakPolarHBondContact CB-CE1 3.4Å; C151-H288 VanDerWaalsContact CB-ND1 3.3Å; C151-H288 WeakPolarHBondContact CB-ND1 3.48Å; C151-H288 PolarHBondContact SG-ND1 3.15Å
152	W	98.7	Very high	98.5	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-60.7	-36	173.4	65.4	-93.3	0	0	0	112.9	G149 S150 S155 T156 V179 N186 G188 G191 G192 P194 A197 A289	G149-W152 VanDerWaalsContact O-CD1 3.3Å; G149-W152 PolarHBondContact O-NE1 3.43Å; S150-W152 PolarHBondContact O-N 3.43Å; S150-W152 VanDerWaalsContact O-N 3.12Å; W152-S155 PolarHBondContact O-OG 2.87Å; W152-S155 VanDerWaalsContact O-OG 3.08Å; W152-T156 WeakPolarHBondContact O-CB 3.33Å; W152-T156 PolarHBondContact O-N 2.99Å; W152-T156 PolarHBondContact O-OG1 2.04Å; W152-V179 HydrophobicContact CE3-CG1 4.26Å; W152-V179 HydrophobicContact CH2-CG1 3.97Å; W152-V179 WeakPolarHBondContact CH2-O 3.32Å; W152-V179 HydrophobicContact CZ3-CG1 3.43Å; W152-V179 VanDerWaalsContact CZ3-CG1 3.43Å; W152-N186 HydrophobicContact CD2-CB 4.49Å; W152-N186 HydrophobicContact CE3-CB 4.36Å; W152-N186 VanDerWaalsContact CE3-ND2 3.27Å; W152-N186 HydrophobicContact CH2-CB 3.48Å; W152-N186 VanDerWaalsContact CH2-CB 3.48Å; W152-N186 HydrophobicContact CZ2-CB 3.62Å; W152-N186 HydrophobicContact CZ3-CB 3.88Å; W152-N186 WeakPolarHBondContact CZ3-ND2 3.32Å; W152-G188 PolarHBondContact NE1-O 3.24Å; W152-G188 VanDerWaalsContact NE1-O 3.16Å; W152-G191 PolarHBondContact NE1-O 3.22Å; W152-G192 VanDerWaalsContact CB-O 3.32Å; W152-G192 WeakPolarHBondContact CB-O 3.39Å; W152-G192 VanDerWaalsContact CD1-N 3.32Å; W152-P194 HydrophobicContact CB-CG 4.25Å; W152-A197 HydrophobicContact CE3-CB 3.95Å; W152-A197 HydrophobicContact CZ3-CB 3.76Å; W152-A289 HydrophobicContact CB-CB 4.31Å
153	A	98.8	Very high	98.4	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-76.7	-43.2	176.8	0	0	0	0	0	110.7	S150 C151 S155 T156 V157 V176 V179 V180	S150-A153 WeakPolarHBondContact O-CA 3.37Å; S150-A153 WeakPolarHBondContact O-CB 3.42Å; S150-A153 PolarHBondContact O-N 3.17Å; C151-A153 VanDerWaalsContact C-N 3.29Å; C151-A153 PolarHBondContact O-N 3.32Å; A153-S155 PolarHBondContact O-N 3.36Å; A153-T156 PolarHBondContact O-N 3.15Å; A153-V157 WeakPolarHBondContact O-CB 3.3Å; A153-V157 WeakPolarHBondContact O-CG2 3.48Å; A153-V157 PolarHBondContact O-N 2.92Å; A153-V176 HydrophobicContact CB-CG1 3.74Å; A153-V179 HydrophobicContact CB-CB 4.1Å; A153-V179 HydrophobicContact CB-CG1 3.82Å; A153-V180 HydrophobicContact CB-CG2 3.75Å
154	F	98.9	Very high	98.4	Very high	17 Å²	17	16 Å²	16	8%	0.075	10%	0.096	C	C	.	.	H	α-helix	trans	-59.9	-46.9	177.1	-81.3	-84	0	0	0	112.8	Q143 Q145 S150 C151 G158 V176 Y216	Q143-F154 HydrophobicContact CB-CD1 3.91Å; Q143-F154 HydrophobicContact CB-CE1 3.49Å; Q143-F154 VanDerWaalsContact CB-CE1 3.49Å; Q143-F154 HydrophobicContact CG-CE1 4.32Å; Q145-F154 VanDerWaalsContact CA-CE2 3.45Å; Q145-F154 HydrophobicContact CB-CD2 3.74Å; Q145-F154 HydrophobicContact CB-CE2 3.35Å; Q145-F154 HydrophobicContact CB-CZ 4.1Å; S150-F154 WeakPolarHBondContact O-CD2 3.43Å; S150-F154 PolarHBondContact O-N 2.92Å; S150-F154 VanDerWaalsContact O-N 3.12Å; S150-F154 WeakPolarHBondContact OG-CE2 3.39Å; C151-F154 PolarHBondContact O-N 3.08Å; F154-G158 PolarHBondContact O-N 3.01Å; F154-V176 HydrophobicContact CD1-CG1 4.25Å; F154-V176 HydrophobicContact CD1-CG2 3.82Å; F154-V176 HydrophobicContact CD2-CG1 3.8Å; F154-V176 HydrophobicContact CE1-CB 4.35Å; F154-V176 HydrophobicContact CE1-CG1 4.18Å; F154-V176 HydrophobicContact CE1-CG2 3.86Å; F154-V176 HydrophobicContact CE2-CG1 3.72Å; F154-V176 HydrophobicContact CG-CG1 4.06Å; F154-V176 HydrophobicContact CG-CG2 4.31Å; F154-V176 HydrophobicContact CZ-CB 4.39Å; F154-V176 HydrophobicContact CZ-CG1 3.93Å; F154-V176 HydrophobicContact CZ-CG2 4.38Å; F154-Y216 HydrophobicContact CE2-CE1 4.13Å; F154-Y216 AromaticContact CE2-CE2 3.84Å; F154-Y216 HydrophobicContact CE2-CE2 3.84Å; F154-Y216 AromaticContact CE2-CZ 3.6Å; F154-Y216 HydrophobicContact CZ-CD1 4.11Å; F154-Y216 HydrophobicContact CZ-CD2 4.24Å; F154-Y216 AromaticContact CZ-CE1 3.82Å; F154-Y216 HydrophobicContact CZ-CE1 3.82Å; F154-Y216 AromaticContact CZ-CE2 3.95Å; F154-Y216 HydrophobicContact CZ-CE2 3.95Å; F154-Y216 HydrophobicContact CZ-CG 4.31Å; F154-Y216 AromaticContact CZ-CZ 3.73Å
155	S	98.8	Very high	98.4	Very high	3 Å²	3	13.6 Å²	13.6	2%	0.021	8%	0.084	C	C	.	.	H	α-helix	trans	-62	-43.6	176.6	52.6	0	0	0	0	112.1	C151 W152 A153 G158 A159 A289 V290	C151-S155 PolarHBondContact O-N 3.37Å; C151-S155 PolarHBondContact O-OG 3Å; W152-S155 PolarHBondContact O-OG 2.87Å; W152-S155 VanDerWaalsContact O-OG 3.08Å; A153-S155 PolarHBondContact O-N 3.36Å; S155-G158 PolarHBondContact O-N 3.31Å; S155-A159 PolarHBondContact O-N 3.1Å; S155-A159 VanDerWaalsContact O-N 3.11Å; S155-A289 WeakPolarHBondContact OG-CB 3.25Å; S155-V290 WeakPolarHBondContact CB-O 3.49Å
156	T	98.8	Very high	98.3	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-60.8	-51.8	176.9	-59.8	0	0	0	0	111.9	W152 A153 G158 A159 I160 P194 A197 L198 L201	W152-T156 WeakPolarHBondContact O-CB 3.33Å; W152-T156 PolarHBondContact O-N 2.99Å; W152-T156 PolarHBondContact O-OG1 2.04Å; A153-T156 PolarHBondContact O-N 3.15Å; T156-G158 VanDerWaalsContact C-N 3.34Å; T156-A159 PolarHBondContact O-N 3.5Å; T156-I160 HydrophobicContact CG2-CD1 3.91Å; T156-I160 WeakPolarHBondContact O-CG1 3.16Å; T156-I160 PolarHBondContact O-N 3.48Å; T156-I160 VanDerWaalsContact O-N 3.14Å; T156-P194 WeakPolarHBondContact OG1-CA 3.39Å; T156-P194 WeakPolarHBondContact OG1-CB 3.43Å; T156-A197 HydrophobicContact CG2-CB 3.98Å; T156-L198 HydrophobicContact CG2-CD2 3.78Å; T156-L198 HydrophobicContact CG2-CG 3.95Å; T156-L201 HydrophobicContact CG2-CD1 4.27Å
157	V	98.8	Very high	98.1	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.006	11%	0.111	C	C	.	.	H	α-helix	trans	-66.5	-38.5	-179.4	174.1	0	0	0	0	111.2	A153 A159 I160 Q161 L174 V176 V179 L208	A153-V157 WeakPolarHBondContact O-CB 3.3Å; A153-V157 WeakPolarHBondContact O-CG2 3.48Å; A153-V157 PolarHBondContact O-N 2.92Å; V157-A159 VanDerWaalsContact C-N 3.34Å; V157-A159 PolarHBondContact O-N 3.32Å; V157-I160 PolarHBondContact O-N 3.33Å; V157-Q161 HydrophobicContact CG1-CG 4.11Å; V157-Q161 VanDerWaalsContact O-CG 3.25Å; V157-Q161 WeakPolarHBondContact O-CG 3.39Å; V157-Q161 PolarHBondContact O-N 3.27Å; V157-L174 HydrophobicContact CG1-CB 3.83Å; V157-V176 HydrophobicContact CB-CG2 4Å; V157-V176 HydrophobicContact CG1-CG2 3.99Å; V157-V176 HydrophobicContact CG2-CG2 4.18Å; V157-V179 HydrophobicContact CG2-CB 4.33Å; V157-V179 HydrophobicContact CG2-CG2 3.53Å; V157-L208 HydrophobicContact CB-CD2 4.45Å; V157-L208 HydrophobicContact CG1-CD2 4.12Å; V157-L208 HydrophobicContact CG2-CD2 3.84Å
158	G	98.7	Very high	98	Very high	8 Å²	8	15.7 Å²	15.7	8%	0.082	12%	0.118	C	C	.	.	H	α-helix	trans	-55.1	-46.8	174.3	0	0	0	0	0	112.7	F154 S155 T156 A162	F154-G158 PolarHBondContact O-N 3.01Å; S155-G158 PolarHBondContact O-N 3.31Å; T156-G158 VanDerWaalsContact C-N 3.34Å; G158-A162 PolarHBondContact O-N 3.16Å
159	A	98.8	Very high	97.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63.9	-44.1	175.7	0	0	0	0	0	112.2	S155 T156 V157 A162 V163 L291 V338	S155-A159 PolarHBondContact O-N 3.1Å; S155-A159 VanDerWaalsContact O-N 3.11Å; T156-A159 PolarHBondContact O-N 3.5Å; V157-A159 VanDerWaalsContact C-N 3.34Å; V157-A159 PolarHBondContact O-N 3.32Å; A159-A162 PolarHBondContact O-N 2.79Å; A159-V163 WeakPolarHBondContact O-CG2 3.33Å; A159-V163 PolarHBondContact O-N 3.43Å; A159-L291 HydrophobicContact CB-CD1 3.77Å; A159-V338 HydrophobicContact CB-CB 4.48Å; A159-V338 HydrophobicContact CB-CG2 3.67Å
160	I	98.8	Very high	97.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.6	-48.2	178.8	-66.7	162	0	0	0	111.4	T156 V157 A162 V163 H164 L174 L201 L208 V233 V235 V338 L340	T156-I160 HydrophobicContact CG2-CD1 3.91Å; T156-I160 WeakPolarHBondContact O-CG1 3.16Å; T156-I160 PolarHBondContact O-N 3.48Å; T156-I160 VanDerWaalsContact O-N 3.14Å; V157-I160 PolarHBondContact O-N 3.33Å; I160-A162 VanDerWaalsContact C-N 3.3Å; I160-A162 PolarHBondContact O-N 3.07Å; I160-V163 PolarHBondContact O-N 3.14Å; I160-H164 WeakPolarHBondContact O-CB 3.28Å; I160-H164 PolarHBondContact O-N 2.85Å; I160-L174 HydrophobicContact CG2-CD1 3.68Å; I160-L201 HydrophobicContact CD1-CD1 3.48Å; I160-L201 VanDerWaalsContact CD1-CD1 3.48Å; I160-L208 HydrophobicContact CD1-CD2 4.04Å; I160-L208 HydrophobicContact CG2-CD2 4.25Å; I160-V233 HydrophobicContact CG2-CB 4.24Å; I160-V233 HydrophobicContact CG2-CG1 3.68Å; I160-V235 HydrophobicContact CD1-CG2 3.73Å; I160-V235 HydrophobicContact CG1-CG2 3.83Å; I160-V338 HydrophobicContact CG1-CG1 3.86Å; I160-V338 HydrophobicContact CG1-CG2 4.43Å; I160-L340 HydrophobicContact CG2-CD2 4.15Å
161	Q	98.6	Very high	97.5	Very high	6 Å²	6	28.8 Å²	28.8	3%	0.028	19%	0.185	C	C	.	.	H	α-helix	trans	-57.8	-44.7	178.4	-68.9	167.2	158.6	0	0	111.2	V157 H164 A165 L171 E172 L174	V157-Q161 HydrophobicContact CG1-CG 4.11Å; V157-Q161 VanDerWaalsContact O-CG 3.25Å; V157-Q161 WeakPolarHBondContact O-CG 3.39Å; V157-Q161 PolarHBondContact O-N 3.27Å; Q161-H164 PolarHBondContact O-N 3.13Å; Q161-A165 PolarHBondContact O-N 3.15Å; Q161-L171 HydrophobicContact CB-CD1 4.38Å; Q161-E172 WeakPolarHBondContact CG-O 3.21Å; Q161-L174 HydrophobicContact CG-CB 3.93Å; Q161-L174 HydrophobicContact CG-CD1 3.73Å; Q161-L174 HydrophobicContact CG-CG 3.73Å
162	A	98.4	Very high	97.3	Very high	0 Å²	0	33 Å²	33	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-66.8	-46.6	-178.5	0	0	0	0	0	112.3	V138 G158 A159 I160 H164 A165 M166 P259	V138-A162 WeakPolarHBondContact O-CA 3.41Å; V138-A162 WeakPolarHBondContact O-CB 3.46Å; G158-A162 PolarHBondContact O-N 3.16Å; A159-A162 PolarHBondContact O-N 2.79Å; I160-A162 VanDerWaalsContact C-N 3.3Å; I160-A162 PolarHBondContact O-N 3.07Å; A162-H164 VanDerWaalsContact C-N 3.25Å; A162-H164 PolarHBondContact O-N 3.47Å; A162-A165 PolarHBondContact O-N 2.84Å; A162-M166 WeakPolarHBondContact O-CB 3.41Å; A162-M166 WeakPolarHBondContact O-CG 3.4Å; A162-M166 PolarHBondContact O-N 2.73Å; A162-P259 HydrophobicContact CB-CB 4.33Å; A162-P259 HydrophobicContact CB-CG 3.57Å
163	V	98.2	Very high	97.2	Very high	21 Å²	21	36.3 Å²	36.3	13%	0.127	22%	0.221	C	C	.	.	H	α-helix	trans	-63.5	-34.4	176.8	178.2	0	0	0	0	111.2	A159 I160 M166 G167 F257 V338 L340	A159-V163 WeakPolarHBondContact O-CG2 3.33Å; A159-V163 PolarHBondContact O-N 3.43Å; I160-V163 PolarHBondContact O-N 3.14Å; V163-M166 PolarHBondContact O-N 3.07Å; V163-G167 PolarHBondContact O-N 3.29Å; V163-G167 VanDerWaalsContact O-N 3.11Å; V163-F257 WeakPolarHBondContact CG2-O 3.48Å; V163-V338 HydrophobicContact CG2-CB 4.32Å; V163-L340 HydrophobicContact CB-CD1 4.1Å; V163-L340 HydrophobicContact CB-CG 4.23Å; V163-L340 HydrophobicContact CG1-CB 4.41Å; V163-L340 HydrophobicContact CG1-CD1 3.93Å; V163-L340 HydrophobicContact CG1-CG 3.74Å
164	H	97.9	Very high	97.2	Very high	54 Å²	54	36.4 Å²	36.4	25%	0.25	22%	0.221	C	C	.	.	H	α-helix	trans	-64.9	-45.1	176	-170.5	55.6	0	0	0	112.2	I160 Q161 A162 G167 S169 V233 L340	I160-H164 WeakPolarHBondContact O-CB 3.28Å; I160-H164 PolarHBondContact O-N 2.85Å; Q161-H164 PolarHBondContact O-N 3.13Å; A162-H164 VanDerWaalsContact C-N 3.25Å; A162-H164 PolarHBondContact O-N 3.47Å; H164-G167 PolarHBondContact O-N 3.2Å; H164-S169 PolarHBondContact CE1-OG 3.38Å; H164-S169 VanDerWaalsContact NE2-CB 3.28Å; H164-S169 WeakPolarHBondContact NE2-CB 3.45Å; H164-S169 PolarHBondContact NE2-OG 3.17Å; H164-S169 WeakPolarHBondContact O-CB 3.4Å; H164-S169 PolarHBondContact O-N 3.09Å; H164-S169 PolarHBondContact O-OG 2.9Å; H164-V233 HydrophobicContact CB-CG1 4.34Å; H164-V233 HydrophobicContact CB-CG2 4.4Å; H164-L340 VanDerWaalsContact CA-CD1 3.4Å; H164-L340 HydrophobicContact CB-CD1 3.55Å; H164-L340 VanDerWaalsContact N-CD1 3.3Å
165	A	97.9	Very high	97.2	Very high	11 Å²	11	35.6 Å²	35.6	9%	0.091	22%	0.217	C	C	.	.	H	α-helix	trans	-66.6	-38.6	175.7	0	0	0	0	0	112.3	V138 Q161 A162 G167 G168 S169 L171	V138-A165 HydrophobicContact CB-CB 3.95Å; V138-A165 HydrophobicContact CG1-CB 3.94Å; Q161-A165 PolarHBondContact O-N 3.15Å; A162-A165 PolarHBondContact O-N 2.84Å; A165-G167 PolarHBondContact O-N 3.26Å; A165-G168 PolarHBondContact O-N 3.23Å; A165-S169 WeakPolarHBondContact CA-O 3.4Å; A165-L171 HydrophobicContact CB-CB 4.07Å; A165-L171 HydrophobicContact CB-CD1 3.92Å
166	M	96.9	Very high	97.2	Very high	64 Å²	64	35.5 Å²	35.5	32%	0.315	22%	0.217	S	C	.	.	H	α-helix	trans	-60	-29.2	173.2	-72.7	169.2	55	0	0	112.9	W133 V138 A162 V163 G168 G258	W133-M166 HydrophobicContact CD2-SD 4.28Å; W133-M166 HydrophobicContact CE3-CG 4.29Å; W133-M166 HydrophobicContact CE3-SD 4.13Å; W133-M166 HydrophobicContact CH2-CE 3.32Å; W133-M166 HydrophobicContact CH2-CG 4.17Å; W133-M166 HydrophobicContact CH2-SD 3.69Å; W133-M166 HydrophobicContact CZ2-CE 3.55Å; W133-M166 HydrophobicContact CZ2-SD 3.84Å; W133-M166 HydrophobicContact CZ3-CE 4Å; W133-M166 HydrophobicContact CZ3-CG 3.84Å; W133-M166 HydrophobicContact CZ3-SD 3.83Å; V138-M166 HydrophobicContact CB-CG 4.15Å; V138-M166 HydrophobicContact CG1-CG 3.99Å; V138-M166 HydrophobicContact CG2-CG 3.99Å; A162-M166 WeakPolarHBondContact O-CB 3.41Å; A162-M166 WeakPolarHBondContact O-CG 3.4Å; A162-M166 PolarHBondContact O-N 2.73Å; V163-M166 PolarHBondContact O-N 3.07Å; M166-G168 PolarHBondContact O-N 3.32Å; M166-G258 WeakPolarHBondContact SD-CA 3.28Å
167	G	93.9	Very high	97.2	Very high	69 Å²	69	35.5 Å²	35.5	71%	0.711	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.3	1.6	174.4	0	0	0	0	0	114.9	V163 H164 A165	V163-G167 PolarHBondContact O-N 3.29Å; V163-G167 VanDerWaalsContact O-N 3.11Å; H164-G167 PolarHBondContact O-N 3.2Å; A165-G167 PolarHBondContact O-N 3.26Å
168	G	93.5	Very high	97.2	Very high	72 Å²	72	35.4 Å²	35.4	74%	0.742	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	97.2	3.9	179.3	0	0	0	0	0	114.8	A165 M166	A165-G168 PolarHBondContact O-N 3.23Å; M166-G168 PolarHBondContact O-N 3.32Å
169	S	94.9	Very high	97.2	Very high	49 Å²	49	35 Å²	35	34%	0.343	21%	0.213	S	C	.	.			trans	-80.8	157.3	175.1	-47.4	0	0	0	0	110.7	H164 A165	H164-S169 PolarHBondContact CE1-OG 3.38Å; H164-S169 VanDerWaalsContact NE2-CB 3.28Å; H164-S169 WeakPolarHBondContact NE2-CB 3.45Å; H164-S169 PolarHBondContact NE2-OG 3.17Å; H164-S169 WeakPolarHBondContact O-CB 3.4Å; H164-S169 PolarHBondContact O-N 3.09Å; H164-S169 PolarHBondContact O-OG 2.9Å; A165-S169 WeakPolarHBondContact CA-O 3.4Å
170	Q	93.7	Very high	97.2	Very high	175 Å²	175	35.3 Å²	35.3	82%	0.818	21%	0.214	S	C	*	.			trans	-64.1	138.1	170.3	-177	178	-11	0	0	109.6	E172	Q170-E172 PolarHBondContact O-N 2.79Å; Q170-E172 VanDerWaalsContact O-N 3.11Å
171	L	96.2	Very high	97.2	Very high	54 Å²	54	36.2 Å²	36.2	28%	0.283	22%	0.219	S	C	.	.			trans	-64.2	113.6	173.9	-179.9	63.4	0	0	0	109.9	G137 V138 A140 Q161 A165	G137-L171 WeakPolarHBondContact O-CD2 3.36Å; V138-L171 WeakPolarHBondContact O-CD1 3.42Å; A140-L171 HydrophobicContact CB-CD1 4.4Å; Q161-L171 HydrophobicContact CB-CD1 4.38Å; A165-L171 HydrophobicContact CB-CB 4.07Å; A165-L171 HydrophobicContact CB-CD1 3.92Å
172	E	94.1	Very high	97.2	Very high	88 Å²	88	36.2 Å²	36.2	41%	0.411	22%	0.22	S	C	.	.			trans	-118.2	146	178.8	-177	179.6	-151.6	0	0	110.3	Q161 Q170 S210	Q161-E172 WeakPolarHBondContact CG-O 3.21Å; Q170-E172 PolarHBondContact O-N 2.79Å; Q170-E172 VanDerWaalsContact O-N 3.11Å; E172-S210 WeakPolarHBondContact OE1-CB 3.39Å
173	Q	97.3	Very high	97.1	Very high	71 Å²	71	36.4 Å²	36.4	33%	0.332	22%	0.221	S	C	.	.			trans	-79.7	122.1	168.3	-71.3	-172.8	-11.7	0	0	110.1	H211	Q173-H211 HydrophobicContact CB-CB 3.95Å; Q173-H211 WeakPolarHBondContact O-CB 3.28Å; Q173-H211 PolarHBondContact O-N 3.02Å
174	L	98.3	Very high	96.9	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-97.9	160.6	179	-62.5	175.2	0	0	0	111.2	V157 I160 Q161 V176 L208 V209 V233	V157-L174 HydrophobicContact CG1-CB 3.83Å; I160-L174 HydrophobicContact CG2-CD1 3.68Å; Q161-L174 HydrophobicContact CG-CB 3.93Å; Q161-L174 HydrophobicContact CG-CD1 3.73Å; Q161-L174 HydrophobicContact CG-CG 3.73Å; L174-V176 PolarHBondContact O-N 2.89Å; L174-V176 VanDerWaalsContact O-N 3.11Å; L174-L208 HydrophobicContact CB-CD2 3.75Å; L174-L208 HydrophobicContact CB-CG 4.04Å; L174-L208 HydrophobicContact CD1-CD2 3.86Å; L174-L208 HydrophobicContact CD1-CG 4.43Å; L174-L208 HydrophobicContact CG-CD2 4.41Å; L174-V209 CarbonylContact C-O 3.52Å; L174-V209 WeakPolarHBondContact CA-O 3.4Å; L174-V233 HydrophobicContact CD1-CB 4.01Å; L174-V233 HydrophobicContact CD1-CG2 3.76Å; L174-V233 HydrophobicContact CD2-CG2 3.93Å; L174-V233 HydrophobicContact CG-CG2 4.5Å
175	S	98.5	Very high	96.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.254	C	S	.	.			trans	-74.5	103.6	-173.8	-177.9	0	0	0	0	113.1	Q177 Q178 L208 V209 Y214	S175-Q177 PolarHBondContact O-N 3.12Å; S175-Q177 PolarHBondContact OG-N 3.42Å; S175-Q178 PolarHBondContact OG-N 3.48Å; S175-L208 WeakPolarHBondContact O-CD1 3.25Å; S175-V209 PolarHBondContact N-O 3.36Å; S175-Y214 WeakPolarHBondContact CB-O 3.25Å; S175-Y214 WeakPolarHBondContact OG-CB 3.36Å; S175-Y214 PolarHBondContact OG-O 3.34Å
176	V	98.8	Very high	96.8	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.006	25%	0.253	C	S	.	.	H	α-helix	trans	-62.4	-35.2	164.9	-179.7	0	0	0	0	111.2	A153 F154 V157 L174 Q178 V179 V180 Y216	A153-V176 HydrophobicContact CB-CG1 3.74Å; F154-V176 HydrophobicContact CD1-CG1 4.25Å; F154-V176 HydrophobicContact CD1-CG2 3.82Å; F154-V176 HydrophobicContact CD2-CG1 3.8Å; F154-V176 HydrophobicContact CE1-CB 4.35Å; F154-V176 HydrophobicContact CE1-CG1 4.18Å; F154-V176 HydrophobicContact CE1-CG2 3.86Å; F154-V176 HydrophobicContact CE2-CG1 3.72Å; F154-V176 HydrophobicContact CG-CG1 4.06Å; F154-V176 HydrophobicContact CG-CG2 4.31Å; F154-V176 HydrophobicContact CZ-CB 4.39Å; F154-V176 HydrophobicContact CZ-CG1 3.93Å; F154-V176 HydrophobicContact CZ-CG2 4.38Å; V157-V176 HydrophobicContact CB-CG2 4Å; V157-V176 HydrophobicContact CG1-CG2 3.99Å; V157-V176 HydrophobicContact CG2-CG2 4.18Å; L174-V176 PolarHBondContact O-N 2.89Å; L174-V176 VanDerWaalsContact O-N 3.11Å; V176-Q178 VanDerWaalsContact C-N 3.34Å; V176-Q178 PolarHBondContact O-N 3.49Å; V176-V179 PolarHBondContact O-N 3.09Å; V176-V179 VanDerWaalsContact O-N 3.15Å; V176-V180 HydrophobicContact CG1-CG2 4.26Å; V176-V180 WeakPolarHBondContact O-CG2 3.44Å; V176-V180 PolarHBondContact O-N 2.88Å; V176-Y216 HydrophobicContact CB-CD2 4.18Å; V176-Y216 HydrophobicContact CG1-CD2 4.1Å; V176-Y216 HydrophobicContact CG1-CE2 4.06Å
177	Q	98.8	Very high	96.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-62.5	-39.9	-178.8	-166.6	61.3	47.1	0	0	112.5	S175 V179 V180 D181 Y214 P215 Y216 K219	S175-Q177 PolarHBondContact O-N 3.12Å; S175-Q177 PolarHBondContact OG-N 3.42Å; Q177-V179 VanDerWaalsContact C-N 3.27Å; Q177-V179 PolarHBondContact O-N 2.93Å; Q177-V180 PolarHBondContact O-N 3.39Å; Q177-D181 WeakPolarHBondContact CG-OD2 3.43Å; Q177-D181 PolarHBondContact NE2-OD1 3.41Å; Q177-D181 PolarHBondContact NE2-OD2 2.76Å; Q177-D181 WeakPolarHBondContact O-CB 3.3Å; Q177-D181 PolarHBondContact O-N 2.89Å; Q177-Y214 HydrophobicContact CB-CD1 3.86Å; Q177-Y214 HydrophobicContact CB-CE1 4.09Å; Q177-Y214 HydrophobicContact CB-CG 4.4Å; Q177-Y214 HydrophobicContact CG-CD1 3.73Å; Q177-Y214 HydrophobicContact CG-CE1 3.46Å; Q177-Y214 VanDerWaalsContact CG-CE1 3.46Å; Q177-P215 WeakPolarHBondContact CB-O 2.97Å; Q177-P215 WeakPolarHBondContact CG-O 3.08Å; Q177-Y216 HydrophobicContact CB-CD2 4.48Å; Q177-K219 PolarHBondContact NE2-O 2.8Å
178	Q	98.6	Very high	97	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-59.4	-41.4	176.5	-171.4	-177.3	-0.9	0	0	111	S175 V176 C182 K207 L208 Y214	S175-Q178 PolarHBondContact OG-N 3.48Å; V176-Q178 VanDerWaalsContact C-N 3.34Å; V176-Q178 PolarHBondContact O-N 3.49Å; Q178-C182 WeakPolarHBondContact O-CB 3.48Å; Q178-C182 PolarHBondContact O-N 2.79Å; Q178-C182 PolarHBondContact O-SG 2.89Å; Q178-C182 VanDerWaalsContact O-SG 3.37Å; Q178-K207 PolarHBondContact NE2-O 2.83Å; Q178-L208 HydrophobicContact CB-CD1 4.16Å; Q178-L208 HydrophobicContact CG-CD1 4.45Å; Q178-Y214 HydrophobicContact CB-CD2 3.7Å; Q178-Y214 HydrophobicContact CB-CE2 4.21Å; Q178-Y214 HydrophobicContact CB-CG 4.46Å; Q178-Y214 HydrophobicContact CG-CD2 4.11Å; Q178-Y214 HydrophobicContact CG-CE2 4.44Å
179	V	98.6	Very high	97.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-66.4	-44.3	176.7	-179.6	0	0	0	0	111.1	W152 A153 V157 V176 Q177 D181 S183 A197 W200 L208	W152-V179 HydrophobicContact CE3-CG1 4.26Å; W152-V179 HydrophobicContact CH2-CG1 3.97Å; W152-V179 WeakPolarHBondContact CH2-O 3.32Å; W152-V179 HydrophobicContact CZ3-CG1 3.43Å; W152-V179 VanDerWaalsContact CZ3-CG1 3.43Å; A153-V179 HydrophobicContact CB-CB 4.1Å; A153-V179 HydrophobicContact CB-CG1 3.82Å; V157-V179 HydrophobicContact CG2-CB 4.33Å; V157-V179 HydrophobicContact CG2-CG2 3.53Å; V176-V179 PolarHBondContact O-N 3.09Å; V176-V179 VanDerWaalsContact O-N 3.15Å; Q177-V179 VanDerWaalsContact C-N 3.27Å; Q177-V179 PolarHBondContact O-N 2.93Å; V179-D181 VanDerWaalsContact C-N 3.33Å; V179-D181 PolarHBondContact O-N 2.7Å; V179-S183 WeakPolarHBondContact O-CB 3.21Å; V179-S183 PolarHBondContact O-N 3.31Å; V179-A197 HydrophobicContact CG1-CB 4.03Å; V179-W200 HydrophobicContact CG2-CZ3 4.37Å; V179-L208 HydrophobicContact CG2-CD1 3.58Å
180	V	98.8	Very high	97.4	Very high	5 Å²	5	43.7 Å²	43.7	3%	0.03	21%	0.212	C	C	.	.	H	α-helix	trans	-58.1	-43.6	177	170.2	0	0	0	0	111.7	A153 V176 Q177 G188 Y216	A153-V180 HydrophobicContact CB-CG2 3.75Å; V176-V180 HydrophobicContact CG1-CG2 4.26Å; V176-V180 WeakPolarHBondContact O-CG2 3.44Å; V176-V180 PolarHBondContact O-N 2.88Å; Q177-V180 PolarHBondContact O-N 3.39Å; V180-G188 WeakPolarHBondContact O-CA 3.28Å; V180-Y216 HydrophobicContact CG2-CE2 4.46Å
181	D	98.6	Very high	97.6	Very high	19 Å²	19	35.4 Å²	35.4	10%	0.102	17%	0.173	C	C	.	.	H	α-helix	trans	-86.2	-27.2	-172.5	-66.1	-14.3	0	0	0	113.3	Q177 V179 Y214 G221 C223	Q177-D181 WeakPolarHBondContact CG-OD2 3.43Å; Q177-D181 PolarHBondContact NE2-OD1 3.41Å; Q177-D181 PolarHBondContact NE2-OD2 2.76Å; Q177-D181 WeakPolarHBondContact O-CB 3.3Å; Q177-D181 PolarHBondContact O-N 2.89Å; V179-D181 VanDerWaalsContact C-N 3.33Å; V179-D181 PolarHBondContact O-N 2.7Å; D181-Y214 PolarHBondContact OD2-OH 3.04Å; D181-G221 WeakPolarHBondContact OD1-CA 3.49Å; D181-G221 PolarHBondContact OD1-N 3.12Å; D181-C223 WeakPolarHBondContact O-CB 3.21Å
182	C	98.3	Very high	97.7	Very high	7 Å²	7	32.9 Å²	32.9	5%	0.047	16%	0.16	C	C	.	.	H	α-helix	trans	-111.1	-18.3	-167.6	-60.4	0	0	0	0	115.8	Q178 Y184 W200 C223	Q178-C182 WeakPolarHBondContact O-CB 3.48Å; Q178-C182 PolarHBondContact O-N 2.79Å; Q178-C182 PolarHBondContact O-SG 2.89Å; Q178-C182 VanDerWaalsContact O-SG 3.37Å; C182-Y184 PolarHBondContact O-N 2.86Å; C182-W200 HydrophobicContact CB-CH2 3.69Å; C182-W200 HydrophobicContact CB-CZ2 3.35Å; C182-W200 PolarHBondContact O-NE1 2.79Å; C182-C223 VanDerWaalsContact CA-SG 3.56Å; C182-C223 HydrophobicContact CB-CB 3.9Å; C182-C223 WeakPolarHBondContact CB-SG 3.36Å; C182-C223 VanDerWaalsContact SG-CA 3.5Å; C182-C223 WeakPolarHBondContact SG-CB 3.34Å; C182-C223 CovalentContact SG-SG 2.04Å; C182-C223 PolarHBondContact SG-SG 3.04Å
183	S	97.6	Very high	97.8	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.021	14%	0.141	C	C	.	.			trans	-73.7	87.1	-179.7	177.3	0	0	0	0	111.3	V179 K185 N186	V179-S183 WeakPolarHBondContact O-CB 3.21Å; V179-S183 PolarHBondContact O-N 3.31Å; S183-K185 PolarHBondContact O-N 3.34Å; S183-N186 WeakPolarHBondContact O-CB 3.46Å; S183-N186 PolarHBondContact O-N 2.02Å; S183-N186 PolarHBondContact OG-ND2 3.26Å
184	Y	93.3	Very high	97.9	Very high	129 Å²	129	25.5 Å²	25.5	51%	0.506	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-10.7	-166.5	58.8	-107.9	0	0	0	117.6	C182 W200 Q203 T204	C182-Y184 PolarHBondContact O-N 2.86Å; Y184-W200 AromaticContact CD1-CD1 3.55Å; Y184-W200 AromaticContact CD1-NE1 3.97Å; Y184-W200 AromaticContact CE1-CD1 3.34Å; Y184-W200 HydrophobicContact CE1-CG 4.4Å; Y184-Q203 PolarHBondContact OH-OE1 3.06Å; Y184-T204 HydrophobicContact CE1-CG2 4.27Å
185	K	95.8	Very high	97.9	Very high	130 Å²	130	26 Å²	26	57%	0.565	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-4.7	171.5	-73.7	-167.4	176.9	-173.4	0	113.5	S183 H196	S183-K185 PolarHBondContact O-N 3.34Å; K185-H196 HydrophobicContact CB-CB 4.05Å
186	N	97.8	Very high	97.8	Very high	16 Å²	16	28.6 Å²	28.6	9%	0.086	14%	0.142	C	C	.	.	S	Bend	trans	-109.9	163.3	175.4	-67	-37.1	0	0	0	109.2	W152 S183 G192 S193 H196 A197	W152-N186 HydrophobicContact CD2-CB 4.49Å; W152-N186 HydrophobicContact CE3-CB 4.36Å; W152-N186 VanDerWaalsContact CE3-ND2 3.27Å; W152-N186 HydrophobicContact CH2-CB 3.48Å; W152-N186 VanDerWaalsContact CH2-CB 3.48Å; W152-N186 HydrophobicContact CZ2-CB 3.62Å; W152-N186 HydrophobicContact CZ3-CB 3.88Å; W152-N186 WeakPolarHBondContact CZ3-ND2 3.32Å; S183-N186 WeakPolarHBondContact O-CB 3.46Å; S183-N186 PolarHBondContact O-N 2.02Å; S183-N186 PolarHBondContact OG-ND2 3.26Å; N186-G192 WeakPolarHBondContact OD1-CA 3.45Å; N186-S193 PolarHBondContact ND2-O 2.87Å; N186-S193 VanDerWaalsContact ND2-O 3.16Å; N186-S193 PolarHBondContact OD1-N 2.87Å; N186-H196 WeakPolarHBondContact OD1-CB 3.4Å; N186-H196 PolarHBondContact OD1-ND1 3.15Å; N186-A197 PolarHBondContact ND2-N 3.39Å
187	E	97.6	Very high	97.8	Very high	124 Å²	124	28.6 Å²	28.6	58%	0.579	14%	0.142	S	C	*	.			trans	-110.8	31.1	-170.5	-56	-170.5	173.1	0	0	112.2	C189 S190 G191	E187-C189 PolarHBondContact O-N 3.25Å; E187-S190 WeakPolarHBondContact O-CB 3.34Å; E187-S190 PolarHBondContact O-N 2.81Å; E187-G191 WeakPolarHBondContact CA-O 3.39Å; E187-G191 PolarHBondContact N-O 2.9Å
188	G	98	Very high	97.8	Very high	2 Å²	2	28.6 Å²	28.6	2%	0.021	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	57.6	-120.4	-178.7	0	0	0	0	0	112.2	W152 V180 S190 G191	W152-G188 PolarHBondContact NE1-O 3.24Å; W152-G188 VanDerWaalsContact NE1-O 3.16Å; V180-G188 WeakPolarHBondContact O-CA 3.28Å; G188-S190 VanDerWaalsContact C-N 3.29Å; G188-S190 PolarHBondContact O-N 2.89Å; G188-G191 PolarHBondContact O-N 2.74Å
189	C	98.3	Very high	97.8	Very high	26 Å²	26	30.2 Å²	30.2	18%	0.176	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-74	-12.3	176.8	-67.9	0	0	0	0	114.9	C148 G149 E187 G191 K219 T220	C148-C189 HydrophobicContact CB-CB 3.92Å; C148-C189 WeakPolarHBondContact CB-SG 3.32Å; C148-C189 WeakPolarHBondContact SG-CA 3.47Å; C148-C189 WeakPolarHBondContact SG-CB 3.24Å; C148-C189 CovalentContact SG-SG 2.03Å; C148-C189 PolarHBondContact SG-SG 3.47Å; G149-C189 VanDerWaalsContact CA-O 3.25Å; G149-C189 WeakPolarHBondContact CA-O 3.34Å; G149-C189 PolarHBondContact N-O 3.37Å; E187-C189 PolarHBondContact O-N 3.25Å; C189-G191 VanDerWaalsContact C-N 3.28Å; C189-K219 WeakPolarHBondContact SG-CA 3.37Å; C189-T220 PolarHBondContact N-OG1 3.21Å; C189-T220 PolarHBondContact SG-N 3.16Å
190	S	97.9	Very high	97.8	Very high	66 Å²	66	30.5 Å²	30.5	46%	0.462	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-78.8	-16.3	175.5	-61.5	0	0	0	0	112.5	R110 E187 G188	R110-S190 WeakPolarHBondContact CD-O 3.38Å; E187-S190 WeakPolarHBondContact O-CB 3.34Å; E187-S190 PolarHBondContact O-N 2.81Å; G188-S190 VanDerWaalsContact C-N 3.29Å; G188-S190 PolarHBondContact O-N 2.89Å
191	G	97.9	Very high	97.7	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.01	16%	0.155	C	C	.	.			trans	139.6	177.6	173.3	0	0	0	0	0	113.9	R110 W152 E187 G188 C189	R110-G191 CarbonylContact O-C 3.55Å; R110-G191 WeakPolarHBondContact O-CA 3.42Å; W152-G191 PolarHBondContact NE1-O 3.22Å; E187-G191 WeakPolarHBondContact CA-O 3.39Å; E187-G191 PolarHBondContact N-O 2.9Å; G188-G191 PolarHBondContact O-N 2.74Å; C189-G191 VanDerWaalsContact C-N 3.28Å
192	G	98	Very high	97.7	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.01	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	169.8	-178.9	178	0	0	0	0	0	114.1	R110 A111 E112 W152 N186	R110-G192 PolarHBondContact O-N 2.81Å; A111-G192 CarbonylContact C-O 3.54Å; A111-G192 VanDerWaalsContact CA-O 3.29Å; A111-G192 WeakPolarHBondContact CA-O 3.17Å; E112-G192 PolarHBondContact N-O 2.81Å; W152-G192 VanDerWaalsContact CB-O 3.32Å; W152-G192 WeakPolarHBondContact CB-O 3.39Å; W152-G192 VanDerWaalsContact CD1-N 3.32Å; N186-G192 WeakPolarHBondContact OD1-CA 3.45Å
193	S	97.9	Very high	97.7	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.007	20%	0.195	C	C	.	.			trans	-123.2	137.1	-178.3	-165.1	0	0	0	0	111.8	E112 S114 N186 S195 H196 A197	E112-S193 VanDerWaalsContact O-CB 3.25Å; E112-S193 WeakPolarHBondContact O-CB 3.49Å; E112-S193 PolarHBondContact O-OG 2.81Å; S114-S193 PolarHBondContact OG-OG 2.84Å; N186-S193 PolarHBondContact ND2-O 2.87Å; N186-S193 VanDerWaalsContact ND2-O 3.16Å; N186-S193 PolarHBondContact OD1-N 2.87Å; S193-S195 PolarHBondContact O-N 3.29Å; S193-S195 PolarHBondContact OG-OG 3.46Å; S193-S195 VanDerWaalsContact OG-OG 3.07Å; S193-H196 PolarHBondContact O-N 2.99Å; S193-A197 PolarHBondContact O-N 2.89Å; S193-A197 VanDerWaalsContact O-N 3.1Å
194	P	98.3	Very high	97.6	Very high	4 Å²	4	42.1 Å²	42.1	3%	0.026	21%	0.212	C	C	.	.	H	α-helix	trans	-55.7	-35.9	168.9	-25.9	35.4	0	0	0	113	W152 T156 H196 A197 L198 A261 I263 A289	W152-P194 HydrophobicContact CB-CG 4.25Å; T156-P194 WeakPolarHBondContact OG1-CA 3.39Å; T156-P194 WeakPolarHBondContact OG1-CB 3.43Å; P194-H196 PolarHBondContact O-N 2.96Å; P194-A197 PolarHBondContact O-N 2.84Å; P194-L198 WeakPolarHBondContact O-CB 3.46Å; P194-L198 VanDerWaalsContact O-CG 3.28Å; P194-L198 WeakPolarHBondContact O-CG 3.11Å; P194-L198 PolarHBondContact O-N 3.01Å; P194-A261 HydrophobicContact CB-CB 4.35Å; P194-I263 HydrophobicContact CG-CG1 4.44Å; P194-A289 HydrophobicContact CG-CB 3.81Å
195	S	97.6	Very high	97.7	Very high	11 Å²	11	42.3 Å²	42.3	8%	0.077	21%	0.211	C	C	.	.	H	α-helix	trans	-63.8	-42.5	179.4	71.8	0	0	0	0	111.8	S114 S193 A199	S114-S195 PolarHBondContact OG-OG 3.41Å; S193-S195 PolarHBondContact O-N 3.29Å; S193-S195 PolarHBondContact OG-OG 3.46Å; S193-S195 VanDerWaalsContact OG-OG 3.07Å; S195-A199 VanDerWaalsContact O-CB 3.25Å; S195-A199 WeakPolarHBondContact O-CB 3.47Å; S195-A199 PolarHBondContact O-N 3.28Å
196	H	98.1	Very high	97.7	Very high	55 Å²	55	37.1 Å²	37.1	26%	0.255	19%	0.191	S	C	.	.	H	α-helix	trans	-66	-41.6	176.5	-71.7	170.6	0	0	0	111.3	K185 N186 S193 P194 A199 W200	K185-H196 HydrophobicContact CB-CB 4.05Å; N186-H196 WeakPolarHBondContact OD1-CB 3.4Å; N186-H196 PolarHBondContact OD1-ND1 3.15Å; S193-H196 PolarHBondContact O-N 2.99Å; P194-H196 PolarHBondContact O-N 2.96Å; H196-A199 PolarHBondContact O-N 2.76Å; H196-W200 WeakPolarHBondContact O-CB 3.21Å; H196-W200 PolarHBondContact O-N 2.88Å
197	A	98.4	Very high	97.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.9	-46.8	177	0	0	0	0	0	111.5	W152 T156 V179 N186 S193 P194 W200 L201	W152-A197 HydrophobicContact CE3-CB 3.95Å; W152-A197 HydrophobicContact CZ3-CB 3.76Å; T156-A197 HydrophobicContact CG2-CB 3.98Å; V179-A197 HydrophobicContact CG1-CB 4.03Å; N186-A197 PolarHBondContact ND2-N 3.39Å; S193-A197 PolarHBondContact O-N 2.89Å; S193-A197 VanDerWaalsContact O-N 3.1Å; P194-A197 PolarHBondContact O-N 2.84Å; A197-W200 WeakPolarHBondContact O-CB 3.34Å; A197-W200 PolarHBondContact O-N 2.91Å; A197-L201 WeakPolarHBondContact O-CG 2.98Å; A197-L201 PolarHBondContact O-N 3.03Å
198	L	98.5	Very high	97.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-66.1	-38.9	177.4	-70.3	170	0	0	0	112.3	T156 P194 L201 K202 F238 A336 V338	T156-L198 HydrophobicContact CG2-CD2 3.78Å; T156-L198 HydrophobicContact CG2-CG 3.95Å; P194-L198 WeakPolarHBondContact O-CB 3.46Å; P194-L198 VanDerWaalsContact O-CG 3.28Å; P194-L198 WeakPolarHBondContact O-CG 3.11Å; P194-L198 PolarHBondContact O-N 3.01Å; L198-L201 PolarHBondContact O-N 3.06Å; L198-K202 VanDerWaalsContact O-CB 3.27Å; L198-K202 WeakPolarHBondContact O-CB 3.34Å; L198-K202 PolarHBondContact O-N 2.89Å; L198-F238 HydrophobicContact CB-CB 4.19Å; L198-F238 HydrophobicContact CB-CD1 3.71Å; L198-F238 HydrophobicContact CB-CD2 3.99Å; L198-F238 HydrophobicContact CB-CE1 4.03Å; L198-F238 HydrophobicContact CB-CE2 4.28Å; L198-F238 HydrophobicContact CB-CG 3.7Å; L198-F238 HydrophobicContact CB-CZ 4.3Å; L198-F238 HydrophobicContact CD1-CB 4.01Å; L198-F238 HydrophobicContact CD1-CD2 3.98Å; L198-F238 HydrophobicContact CD1-CG 4.07Å; L198-F238 HydrophobicContact CD2-CB 4.5Å; L198-F238 HydrophobicContact CG-CB 4.47Å; L198-F238 HydrophobicContact CG-CG 4.42Å; L198-A336 HydrophobicContact CD1-CB 3.74Å; L198-V338 HydrophobicContact CD1-CG2 4.19Å; L198-V338 HydrophobicContact CD2-CG1 4.4Å; L198-V338 HydrophobicContact CD2-CG2 3.63Å
199	A	98.1	Very high	97.7	Very high	35 Å²	35	33.6 Å²	33.6	29%	0.289	17%	0.172	S	C	.	.	H	α-helix	trans	-62.3	-43	173.8	0	0	0	0	0	111.8	S195 H196 Q203 F238	S195-A199 VanDerWaalsContact O-CB 3.25Å; S195-A199 WeakPolarHBondContact O-CB 3.47Å; S195-A199 PolarHBondContact O-N 3.28Å; H196-A199 PolarHBondContact O-N 2.76Å; A199-Q203 WeakPolarHBondContact O-CB 3.37Å; A199-Q203 PolarHBondContact O-N 3.34Å; A199-F238 HydrophobicContact CB-CE1 4.21Å; A199-F238 HydrophobicContact CB-CZ 4.21Å
200	W	98.1	Very high	97.7	Very high	6 Å²	6	32.8 Å²	32.8	2%	0.023	17%	0.167	C	C	.	.	H	α-helix	trans	-60.7	-49.7	174.6	164.1	69.7	0	0	0	112	V179 C182 Y184 H196 A197 K202 Q203 T204 V206	V179-W200 HydrophobicContact CG2-CZ3 4.37Å; C182-W200 HydrophobicContact CB-CH2 3.69Å; C182-W200 HydrophobicContact CB-CZ2 3.35Å; C182-W200 PolarHBondContact O-NE1 2.79Å; Y184-W200 AromaticContact CD1-CD1 3.55Å; Y184-W200 AromaticContact CD1-NE1 3.97Å; Y184-W200 AromaticContact CE1-CD1 3.34Å; Y184-W200 HydrophobicContact CE1-CG 4.4Å; H196-W200 WeakPolarHBondContact O-CB 3.21Å; H196-W200 PolarHBondContact O-N 2.88Å; A197-W200 WeakPolarHBondContact O-CB 3.34Å; A197-W200 PolarHBondContact O-N 2.91Å; W200-K202 PolarHBondContact O-N 3.44Å; W200-Q203 PolarHBondContact O-N 3.01Å; W200-T204 WeakPolarHBondContact O-CB 3.46Å; W200-T204 WeakPolarHBondContact O-CG2 3.33Å; W200-T204 PolarHBondContact O-N 3.48Å; W200-T204 PolarHBondContact O-OG1 3.26Å; W200-V206 HydrophobicContact CH2-CG1 3.61Å; W200-V206 HydrophobicContact CZ2-CG1 3.54Å; W200-V206 HydrophobicContact CZ3-CG1 4.26Å
201	L	98.3	Very high	97.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-59.6	-46.2	178.2	-72.7	167.4	0	0	0	111.6	T156 I160 A197 L198 R205 V206 V235	T156-L201 HydrophobicContact CG2-CD1 4.27Å; I160-L201 HydrophobicContact CD1-CD1 3.48Å; I160-L201 VanDerWaalsContact CD1-CD1 3.48Å; A197-L201 WeakPolarHBondContact O-CG 2.98Å; A197-L201 PolarHBondContact O-N 3.03Å; L198-L201 PolarHBondContact O-N 3.06Å; L201-R205 WeakPolarHBondContact O-CA 3.28Å; L201-R205 PolarHBondContact O-N 3.16Å; L201-V206 HydrophobicContact CD2-CG1 3.74Å; L201-V235 HydrophobicContact CB-CB 3.95Å; L201-V235 HydrophobicContact CB-CG2 4.03Å; L201-V235 HydrophobicContact CD1-CG2 3.87Å; L201-V235 HydrophobicContact CG-CG2 4.47Å
202	K	97.9	Very high	97.6	Very high	82 Å²	82	36.5 Å²	36.5	36%	0.357	19%	0.186	S	C	.	.	H	α-helix	trans	-61.5	-44.6	177.2	174.6	-177.2	174.6	176.2	0	112.3	L198 W200 R205 N237 F238	L198-K202 VanDerWaalsContact O-CB 3.27Å; L198-K202 WeakPolarHBondContact O-CB 3.34Å; L198-K202 PolarHBondContact O-N 2.89Å; W200-K202 PolarHBondContact O-N 3.44Å; K202-R205 VanDerWaalsContact O-CD 3.28Å; K202-R205 WeakPolarHBondContact O-CD 3.3Å; K202-R205 PolarHBondContact O-NE 2.83Å; K202-R205 VanDerWaalsContact O-NE 3.11Å; K202-N237 VanDerWaalsContact CE-OD1 3.28Å; K202-N237 WeakPolarHBondContact CE-OD1 3.49Å; K202-N237 PolarHBondContact NZ-OD1 2.99Å; K202-F238 HydrophobicContact CD-CD1 4.17Å; K202-F238 HydrophobicContact CD-CE1 4.12Å
203	Q	97.7	Very high	97.6	Very high	136 Å²	136	40.1 Å²	40.1	64%	0.636	21%	0.205	S	C	*	.	H	α-helix	trans	-71.9	-46.9	-175.2	-179.6	175.2	13.1	0	0	111.7	Y184 A199 W200	Y184-Q203 PolarHBondContact OH-OE1 3.06Å; A199-Q203 WeakPolarHBondContact O-CB 3.37Å; A199-Q203 PolarHBondContact O-N 3.34Å; W200-Q203 PolarHBondContact O-N 3.01Å
204	T	96.4	Very high	97.7	Very high	59 Å²	59	40.8 Å²	40.8	36%	0.362	21%	0.208	S	C	.	.	H	α-helix	trans	-82.8	-20.7	-174.4	61.2	0	0	0	0	112.9	Y184 W200 V206	Y184-T204 HydrophobicContact CE1-CG2 4.27Å; W200-T204 WeakPolarHBondContact O-CB 3.46Å; W200-T204 WeakPolarHBondContact O-CG2 3.33Å; W200-T204 PolarHBondContact O-N 3.48Å; W200-T204 PolarHBondContact O-OG1 3.26Å; T204-V206 PolarHBondContact O-N 2.92Å; T204-V206 VanDerWaalsContact O-N 3.08Å; T204-V206 WeakPolarHBondContact OG1-CG1 3.42Å; T204-V206 PolarHBondContact OG1-N 3.26Å
205	R	95.5	Very high	97.7	Very high	133 Å²	133	43.3 Å²	43.3	50%	0.502	23%	0.225	S	C	.	.			trans	55.4	21.1	-173.5	-58.2	-61.7	-172.4	132.8	3.5	113.5	L201 K202 K207 T234	L201-R205 WeakPolarHBondContact O-CA 3.28Å; L201-R205 PolarHBondContact O-N 3.16Å; K202-R205 VanDerWaalsContact O-CD 3.28Å; K202-R205 WeakPolarHBondContact O-CD 3.3Å; K202-R205 PolarHBondContact O-NE 2.83Å; K202-R205 VanDerWaalsContact O-NE 3.11Å; R205-K207 PolarHBondContact O-N 3.42Å; R205-T234 HydrophobicContact CB-CG2 4.47Å
206	V	95.6	Very high	97.7	Very high	22 Å²	22	44.7 Å²	44.7	13%	0.133	23%	0.228	C	C	.	.			trans	-59.7	139.8	173.2	70.4	0	0	0	0	109.1	W200 L201 T204 F225	W200-V206 HydrophobicContact CH2-CG1 3.61Å; W200-V206 HydrophobicContact CZ2-CG1 3.54Å; W200-V206 HydrophobicContact CZ3-CG1 4.26Å; L201-V206 HydrophobicContact CD2-CG1 3.74Å; T204-V206 PolarHBondContact O-N 2.92Å; T204-V206 VanDerWaalsContact O-N 3.08Å; T204-V206 WeakPolarHBondContact OG1-CG1 3.42Å; T204-V206 PolarHBondContact OG1-N 3.26Å; V206-F225 HydrophobicContact CG2-CD1 4.47Å
207	K	97	Very high	97.7	Very high	68 Å²	68	47.6 Å²	47.6	30%	0.296	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	130.8	171.9	-71.6	172.1	175.6	173.8	0	108.9	Q178 R205 V209 P228 H230 V233 T234	Q178-K207 PolarHBondContact NE2-O 2.83Å; R205-K207 PolarHBondContact O-N 3.42Å; K207-V209 PolarHBondContact O-N 3.28Å; K207-P228 PolarHBondContact NZ-O 3Å; K207-H230 WeakPolarHBondContact CD-O 3.03Å; K207-H230 PolarHBondContact NZ-O 2.71Å; K207-V233 WeakPolarHBondContact CA-O 3.28Å; K207-T234 WeakPolarHBondContact CG-OG1 3.46Å
208	L	97.6	Very high	97.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	115.8	169.3	-168.3	66.2	0	0	0	108.3	V157 I160 L174 S175 Q178 V179 G232 V233	V157-L208 HydrophobicContact CB-CD2 4.45Å; V157-L208 HydrophobicContact CG1-CD2 4.12Å; V157-L208 HydrophobicContact CG2-CD2 3.84Å; I160-L208 HydrophobicContact CD1-CD2 4.04Å; I160-L208 HydrophobicContact CG2-CD2 4.25Å; L174-L208 HydrophobicContact CB-CD2 3.75Å; L174-L208 HydrophobicContact CB-CG 4.04Å; L174-L208 HydrophobicContact CD1-CD2 3.86Å; L174-L208 HydrophobicContact CD1-CG 4.43Å; L174-L208 HydrophobicContact CG-CD2 4.41Å; S175-L208 WeakPolarHBondContact O-CD1 3.25Å; Q178-L208 HydrophobicContact CB-CD1 4.16Å; Q178-L208 HydrophobicContact CG-CD1 4.45Å; V179-L208 HydrophobicContact CG2-CD1 3.58Å; L208-G232 CarbonylContact O-C 3.52Å; L208-G232 WeakPolarHBondContact O-CA 3.24Å; L208-V233 PolarHBondContact N-O 3.41Å; L208-V233 PolarHBondContact O-N 3.18Å
209	V	98.1	Very high	97.7	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.276	C	S	.	.			trans	-82.7	171.6	-176.4	-54.9	0	0	0	0	111.7	L174 S175 K207 D213 F226	L174-V209 CarbonylContact C-O 3.52Å; L174-V209 WeakPolarHBondContact CA-O 3.4Å; S175-V209 PolarHBondContact N-O 3.36Å; K207-V209 PolarHBondContact O-N 3.28Å; V209-D213 HydrophobicContact CB-CB 4.17Å; V209-D213 HydrophobicContact CG2-CB 3.89Å; V209-F226 HydrophobicContact CB-CE2 4.48Å; V209-F226 HydrophobicContact CG1-CB 4.18Å; V209-F226 HydrophobicContact CG1-CD1 4.09Å; V209-F226 HydrophobicContact CG1-CD2 3.65Å; V209-F226 HydrophobicContact CG1-CE1 4.42Å; V209-F226 HydrophobicContact CG1-CE2 4.03Å; V209-F226 HydrophobicContact CG1-CG 3.7Å; V209-F226 HydrophobicContact CG1-CZ 4.4Å; V209-F226 HydrophobicContact CG2-CD2 4.16Å; V209-F226 HydrophobicContact CG2-CE1 4.42Å; V209-F226 HydrophobicContact CG2-CE2 3.66Å; V209-F226 HydrophobicContact CG2-CZ 3.81Å
210	S	98	Very high	97.6	Very high	8 Å²	8	56.9 Å²	56.9	6%	0.056	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-60.5	154.1	174.2	71.7	0	0	0	0	112.2	E172 S212 D213 Y214	E172-S210 WeakPolarHBondContact OE1-CB 3.39Å; S210-S212 PolarHBondContact O-N 3.07Å; S210-S212 PolarHBondContact OG-OG 2.03Å; S210-D213 PolarHBondContact O-N 3.04Å; S210-D213 WeakPolarHBondContact OG-CB 3.46Å; S210-D213 PolarHBondContact OG-N 3.49Å; S210-D213 VanDerWaalsContact OG-N 3.1Å; S210-D213 PolarHBondContact OG-OD2 3.27Å; S210-Y214 PolarHBondContact O-N 3.41Å
211	H	97.7	Very high	97.6	Very high	54 Å²	54	58.1 Å²	58.1	25%	0.25	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-35.5	171.6	174.6	88.8	0	0	0	111.7	Q173 D213 Y214 P215	Q173-H211 HydrophobicContact CB-CB 3.95Å; Q173-H211 WeakPolarHBondContact O-CB 3.28Å; Q173-H211 PolarHBondContact O-N 3.02Å; H211-D213 PolarHBondContact O-N 2.86Å; H211-Y214 CarbonylContact O-C 3.59Å; H211-Y214 PolarHBondContact O-N 2.88Å; H211-P215 WeakPolarHBondContact O-CA 3.33Å
212	S	97.6	Very high	97.5	Very high	91 Å²	91	65.6 Å²	65.6	64%	0.636	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-37.6	177.7	37.4	0	0	0	0	113	S210	S210-S212 PolarHBondContact O-N 3.07Å; S210-S212 PolarHBondContact OG-OG 2.03Å
213	D	98.1	Very high	97.5	Very high	77 Å²	77	63.4 Å²	63.4	41%	0.412	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-31.6	178.7	-69.6	-25.7	0	0	0	112.3	V209 S210 H211 F226 H230	V209-D213 HydrophobicContact CB-CB 4.17Å; V209-D213 HydrophobicContact CG2-CB 3.89Å; S210-D213 PolarHBondContact O-N 3.04Å; S210-D213 WeakPolarHBondContact OG-CB 3.46Å; S210-D213 PolarHBondContact OG-N 3.49Å; S210-D213 VanDerWaalsContact OG-N 3.1Å; S210-D213 PolarHBondContact OG-OD2 3.27Å; H211-D213 PolarHBondContact O-N 2.86Å; D213-F226 HydrophobicContact CB-CE1 4.2Å; D213-F226 HydrophobicContact CB-CZ 4.33Å; D213-H230 IonicContact OD2-CD2 3.88Å; D213-H230 IonicContact OD2-CE1 3.78Å; D213-H230 IonicContact OD2-NE2 2.87Å; D213-H230 PolarHBondContact OD2-NE2 2.76Å
214	Y	98.4	Very high	97.4	Very high	16 Å²	16	61.7 Å²	61.7	6%	0.063	32%	0.324	C	S	.	.	S	Bend	trans	-139.1	83.1	176.1	-160.7	-9.7	0	0	0	111.6	S175 Q177 Q178 D181 S210 H211 I222 H224 F226	S175-Y214 WeakPolarHBondContact CB-O 3.25Å; S175-Y214 WeakPolarHBondContact OG-CB 3.36Å; S175-Y214 PolarHBondContact OG-O 3.34Å; Q177-Y214 HydrophobicContact CB-CD1 3.86Å; Q177-Y214 HydrophobicContact CB-CE1 4.09Å; Q177-Y214 HydrophobicContact CB-CG 4.4Å; Q177-Y214 HydrophobicContact CG-CD1 3.73Å; Q177-Y214 HydrophobicContact CG-CE1 3.46Å; Q177-Y214 VanDerWaalsContact CG-CE1 3.46Å; Q178-Y214 HydrophobicContact CB-CD2 3.7Å; Q178-Y214 HydrophobicContact CB-CE2 4.21Å; Q178-Y214 HydrophobicContact CB-CG 4.46Å; Q178-Y214 HydrophobicContact CG-CD2 4.11Å; Q178-Y214 HydrophobicContact CG-CE2 4.44Å; D181-Y214 PolarHBondContact OD2-OH 3.04Å; S210-Y214 PolarHBondContact O-N 3.41Å; H211-Y214 CarbonylContact O-C 3.59Å; H211-Y214 PolarHBondContact O-N 2.88Å; Y214-I222 PolarHBondContact OH-O 3.48Å; Y214-H224 HydrophobicContact CE2-CB 3.72Å; Y214-F226 AromaticContact CD2-CE2 3.81Å; Y214-F226 HydrophobicContact CD2-CE2 3.81Å; Y214-F226 HydrophobicContact CD2-CZ 4.3Å; Y214-F226 HydrophobicContact CG-CE2 4.45Å
215	P	98.1	Very high	97.1	Very high	57 Å²	57	65.4 Å²	65.4	37%	0.37	34%	0.335	S	S	.	.			trans	-66.5	150.4	-174.9	-24.2	34.9	0	0	0	114.1	Q177 H211	Q177-P215 WeakPolarHBondContact CB-O 2.97Å; Q177-P215 WeakPolarHBondContact CG-O 3.08Å; H211-P215 WeakPolarHBondContact O-CA 3.33Å
216	Y	98.6	Very high	97.1	Very high	39 Å²	39	61.2 Å²	61.2	15%	0.153	32%	0.321	C	S	.	.			trans	-70.9	131.2	176.7	-171.6	-111.8	0	0	0	112.6	Q145 C148 S150 F154 V176 Q177 V180 A218	Q145-Y216 PolarHBondContact O-OH 2.86Å; C148-Y216 WeakPolarHBondContact CB-OH 3.31Å; S150-Y216 PolarHBondContact OG-OH 2.94Å; F154-Y216 HydrophobicContact CE2-CE1 4.13Å; F154-Y216 AromaticContact CE2-CE2 3.84Å; F154-Y216 HydrophobicContact CE2-CE2 3.84Å; F154-Y216 AromaticContact CE2-CZ 3.6Å; F154-Y216 HydrophobicContact CZ-CD1 4.11Å; F154-Y216 HydrophobicContact CZ-CD2 4.24Å; F154-Y216 AromaticContact CZ-CE1 3.82Å; F154-Y216 HydrophobicContact CZ-CE1 3.82Å; F154-Y216 AromaticContact CZ-CE2 3.95Å; F154-Y216 HydrophobicContact CZ-CE2 3.95Å; F154-Y216 HydrophobicContact CZ-CG 4.31Å; F154-Y216 AromaticContact CZ-CZ 3.73Å; V176-Y216 HydrophobicContact CB-CD2 4.18Å; V176-Y216 HydrophobicContact CG1-CD2 4.1Å; V176-Y216 HydrophobicContact CG1-CE2 4.06Å; Q177-Y216 HydrophobicContact CB-CD2 4.48Å; V180-Y216 HydrophobicContact CG2-CE2 4.46Å; Y216-A218 HydrophobicContact CD1-CB 4.39Å; Y216-A218 HydrophobicContact CE1-CB 3.63Å
217	K	98.3	Very high	96.9	Very high	116 Å²	116	63.3 Å²	63.3	50%	0.504	34%	0.337	S	S	.	.			trans	-119.8	-3.3	-173.5	-61.8	172.6	-172.1	170.1	0	113.3	K219	K217-K219 HydrophobicContact CB-CG 4.06Å; K217-K219 PolarHBondContact O-N 3.47Å; K217-K219 VanDerWaalsContact O-N 3.16Å
218	A	97.9	Very high	96.6	Very high	22 Å²	22	65.7 Å²	65.7	18%	0.182	36%	0.359	C	S	.	.	S	Bend	trans	50.1	36.5	-176.6	0	0	0	0	0	114.3	L146 C148 Y216	L146-A218 HydrophobicContact CB-CB 3.88Å; L146-A218 HydrophobicContact CD1-CB 3.89Å; L146-A218 HydrophobicContact CG-CB 4.38Å; C148-A218 HydrophobicContact CB-CB 4.12Å; Y216-A218 HydrophobicContact CD1-CB 4.39Å; Y216-A218 HydrophobicContact CE1-CB 3.63Å
219	K	98	Very high	96.3	Very high	132 Å²	132	70.6 Å²	70.6	57%	0.574	39%	0.393	S	S	*	.	S	Bend	trans	-153	151	174.7	64.7	-174.8	-178.7	180	0	109.4	Q177 C189 K217 G221	Q177-K219 PolarHBondContact NE2-O 2.8Å; C189-K219 WeakPolarHBondContact SG-CA 3.37Å; K217-K219 HydrophobicContact CB-CG 4.06Å; K217-K219 PolarHBondContact O-N 3.47Å; K217-K219 VanDerWaalsContact O-N 3.16Å; K219-G221 PolarHBondContact O-N 2.98Å
220	T	98	Very high	96.2	Very high	76 Å²	76	73.4 Å²	73.4	47%	0.466	41%	0.406	S	S	.	.			trans	-67.9	123.5	170.1	-50.5	0	0	0	0	109.1	C189	C189-T220 PolarHBondContact N-OG1 3.21Å; C189-T220 PolarHBondContact SG-N 3.16Å
221	G	96.6	Very high	96.1	Very high	33 Å²	33	80.9 Å²	80.9	34%	0.34	44%	0.44	S	S	.	.			trans	-110.9	-174	175.5	0	0	0	0	0	112.3	D181 K219	D181-G221 WeakPolarHBondContact OD1-CA 3.49Å; D181-G221 PolarHBondContact OD1-N 3.12Å; K219-G221 PolarHBondContact O-N 2.98Å
222	I	96.9	Very high	96	Very high	157 Å²	157	80 Å²	80	81%	0.805	45%	0.445	S	S	*	.			trans	-84.2	130.4	170.2	-61	173.9	0	0	0	107.3	Y214 H224	Y214-I222 PolarHBondContact OH-O 3.48Å; I222-H224 PolarHBondContact O-N 2.88Å
223	C	97.4	Very high	96	Very high	35 Å²	35	75.9 Å²	75.9	24%	0.236	42%	0.417	C	S	.	.			trans	-55	130.2	175.6	178.5	0	0	0	0	111.3	D181 C182 F225	D181-C223 WeakPolarHBondContact O-CB 3.21Å; C182-C223 VanDerWaalsContact CA-SG 3.56Å; C182-C223 HydrophobicContact CB-CB 3.9Å; C182-C223 WeakPolarHBondContact CB-SG 3.36Å; C182-C223 VanDerWaalsContact SG-CA 3.5Å; C182-C223 WeakPolarHBondContact SG-CB 3.34Å; C182-C223 CovalentContact SG-SG 2.04Å; C182-C223 PolarHBondContact SG-SG 3.04Å; C223-F225 HydrophobicContact CB-CE2 4.28Å; C223-F225 WeakPolarHBondContact SG-CE2 3.47Å; C223-F225 WeakPolarHBondContact SG-CZ 3.38Å
224	H	95.7	Very high	95.9	Very high	101 Å²	101	74.1 Å²	74.1	47%	0.468	41%	0.409	S	S	.	.			trans	-111.6	117.4	172.1	178.4	-106.7	0	0	0	109	Y214 I222 F226	Y214-H224 HydrophobicContact CE2-CB 3.72Å; I222-H224 PolarHBondContact O-N 2.88Å; H224-F226 AromaticContact CE1-CE1 3.83Å; H224-F226 AromaticContact CE1-CZ 3.77Å; H224-F226 AromaticContact ND1-CD2 3.85Å; H224-F226 AromaticContact ND1-CE1 3.9Å; H224-F226 AromaticContact ND1-CE2 3.33Å; H224-F226 VanDerWaalsContact ND1-CE2 3.33Å; H224-F226 WeakPolarHBondContact ND1-CE2 3.35Å; H224-F226 AromaticContact ND1-CZ 3.37Å; H224-F226 WeakPolarHBondContact ND1-CZ 3.36Å
225	F	90.3	Very high	95.9	Very high	136 Å²	136	73.4 Å²	73.4	60%	0.596	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-92.7	133.4	176.5	-67.8	-77.7	0	0	0	110.3	V206 C223	V206-F225 HydrophobicContact CG2-CD1 4.47Å; C223-F225 HydrophobicContact CB-CE2 4.28Å; C223-F225 WeakPolarHBondContact SG-CE2 3.47Å; C223-F225 WeakPolarHBondContact SG-CZ 3.38Å
226	F	94.7	Very high	95.9	Very high	46 Å²	46	78.2 Å²	78.2	20%	0.202	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-90.7	155.9	175.1	-67.6	-99.2	0	0	0	110.7	V209 D213 Y214 H224 H230	V209-F226 HydrophobicContact CB-CE2 4.48Å; V209-F226 HydrophobicContact CG1-CB 4.18Å; V209-F226 HydrophobicContact CG1-CD1 4.09Å; V209-F226 HydrophobicContact CG1-CD2 3.65Å; V209-F226 HydrophobicContact CG1-CE1 4.42Å; V209-F226 HydrophobicContact CG1-CE2 4.03Å; V209-F226 HydrophobicContact CG1-CG 3.7Å; V209-F226 HydrophobicContact CG1-CZ 4.4Å; V209-F226 HydrophobicContact CG2-CD2 4.16Å; V209-F226 HydrophobicContact CG2-CE1 4.42Å; V209-F226 HydrophobicContact CG2-CE2 3.66Å; V209-F226 HydrophobicContact CG2-CZ 3.81Å; D213-F226 HydrophobicContact CB-CE1 4.2Å; D213-F226 HydrophobicContact CB-CZ 4.33Å; Y214-F226 AromaticContact CD2-CE2 3.81Å; Y214-F226 HydrophobicContact CD2-CE2 3.81Å; Y214-F226 HydrophobicContact CD2-CZ 4.3Å; Y214-F226 HydrophobicContact CG-CE2 4.45Å; H224-F226 AromaticContact CE1-CE1 3.83Å; H224-F226 AromaticContact CE1-CZ 3.77Å; H224-F226 AromaticContact ND1-CD2 3.85Å; H224-F226 AromaticContact ND1-CE1 3.9Å; H224-F226 AromaticContact ND1-CE2 3.33Å; H224-F226 VanDerWaalsContact ND1-CE2 3.33Å; H224-F226 WeakPolarHBondContact ND1-CE2 3.35Å; H224-F226 AromaticContact ND1-CZ 3.37Å; H224-F226 WeakPolarHBondContact ND1-CZ 3.36Å; F226-H230 HydrophobicContact CB-CB 3.96Å; F226-H230 AromaticContact CD1-CD2 3.82Å; F226-H230 AromaticContact CD1-CG 3.91Å; F226-H230 AromaticContact CD1-NE2 3.89Å
227	S	92.9	Very high	95.9	Very high	66 Å²	66	79.5 Å²	79.5	46%	0.462	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-55.4	144.4	172.9	175.3	0	0	0	0	110.7	S229 H230	S227-S229 PolarHBondContact O-N 3.45Å; S227-S229 VanDerWaalsContact O-N 3.08Å; S227-S229 PolarHBondContact OG-N 2.79Å; S227-S229 PolarHBondContact OG-OG 2.91Å; S227-H230 WeakPolarHBondContact O-CB 3.38Å; S227-H230 PolarHBondContact O-N 3.38Å
228	P	89.3	Confident	95.9	Very high	117 Å²	117	75.7 Å²	75.7	76%	0.76	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-25.6	172.7	-26	35	0	0	0	114.2	K207 H230	K207-P228 PolarHBondContact NZ-O 3Å; P228-H230 VanDerWaalsContact C-N 3.33Å
229	S	92.3	Very high	95.9	Very high	103 Å²	103	75.6 Å²	75.6	72%	0.72	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-14	175.9	64.7	0	0	0	0	113.9	S227	S227-S229 PolarHBondContact O-N 3.45Å; S227-S229 VanDerWaalsContact O-N 3.08Å; S227-S229 PolarHBondContact OG-N 2.79Å; S227-S229 PolarHBondContact OG-OG 2.91Å
230	H	95.6	Very high	95.9	Very high	59 Å²	59	70.9 Å²	70.9	27%	0.273	39%	0.389	S	S	.	.	S	Bend	trans	-64.7	147.8	177.4	-156.7	83.4	0	0	0	110.1	K207 D213 F226 S227 P228	K207-H230 WeakPolarHBondContact CD-O 3.03Å; K207-H230 PolarHBondContact NZ-O 2.71Å; D213-H230 IonicContact OD2-CD2 3.88Å; D213-H230 IonicContact OD2-CE1 3.78Å; D213-H230 IonicContact OD2-NE2 2.87Å; D213-H230 PolarHBondContact OD2-NE2 2.76Å; F226-H230 HydrophobicContact CB-CB 3.96Å; F226-H230 AromaticContact CD1-CD2 3.82Å; F226-H230 AromaticContact CD1-CG 3.91Å; F226-H230 AromaticContact CD1-NE2 3.89Å; S227-H230 WeakPolarHBondContact O-CB 3.38Å; S227-H230 PolarHBondContact O-N 3.38Å; P228-H230 VanDerWaalsContact C-N 3.33Å
231	E	95.3	Very high	95.9	Very high	166 Å²	166	69.5 Å²	69.5	78%	0.776	38%	0.377	S	S	*	.			trans	-71	155.8	177.4	-66.2	-170	165.9	0	0	111.2
232	G	96.3	Very high	95.9	Very high	34 Å²	34	69 Å²	69	35%	0.351	37%	0.368	S	S	.	.			trans	150.3	177	178.6	0	0	0	0	0	112.9	L208	L208-G232 CarbonylContact O-C 3.52Å; L208-G232 WeakPolarHBondContact O-CA 3.24Å
233	V	97.6	Very high	95.9	Very high	6 Å²	6	61.7 Å²	61.7	4%	0.036	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	126.7	-169.7	-177.2	0	0	0	0	110.6	I160 H164 L174 K207 L208 L340	I160-V233 HydrophobicContact CG2-CB 4.24Å; I160-V233 HydrophobicContact CG2-CG1 3.68Å; H164-V233 HydrophobicContact CB-CG1 4.34Å; H164-V233 HydrophobicContact CB-CG2 4.4Å; L174-V233 HydrophobicContact CD1-CB 4.01Å; L174-V233 HydrophobicContact CD1-CG2 3.76Å; L174-V233 HydrophobicContact CD2-CG2 3.93Å; L174-V233 HydrophobicContact CG-CG2 4.5Å; K207-V233 WeakPolarHBondContact CA-O 3.28Å; L208-V233 PolarHBondContact N-O 3.41Å; L208-V233 PolarHBondContact O-N 3.18Å; V233-L340 HydrophobicContact CG1-CD1 3.71Å; V233-L340 HydrophobicContact CG1-CD2 3.86Å; V233-L340 HydrophobicContact CG1-CG 4.36Å
234	T	97.1	Very high	95.8	Very high	40 Å²	40	62.6 Å²	62.6	25%	0.245	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	129.4	175.5	-59.3	0	0	0	0	110.3	R205 K207	R205-T234 HydrophobicContact CB-CG2 4.47Å; K207-T234 WeakPolarHBondContact CG-OG1 3.46Å
235	V	97.9	Very high	95.8	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-81.9	124.6	169.2	179.4	0	0	0	0	109.4	I160 L201 N237 V338 L340	I160-V235 HydrophobicContact CD1-CG2 3.73Å; I160-V235 HydrophobicContact CG1-CG2 3.83Å; L201-V235 HydrophobicContact CB-CB 3.95Å; L201-V235 HydrophobicContact CB-CG2 4.03Å; L201-V235 HydrophobicContact CD1-CG2 3.87Å; L201-V235 HydrophobicContact CG-CG2 4.47Å; V235-N237 WeakPolarHBondContact CG1-O 3.45Å; V235-V338 HydrophobicContact CG1-CG1 4.14Å; V235-V338 HydrophobicContact CG2-CG1 4.28Å; V235-L340 HydrophobicContact CB-CD2 4.44Å; V235-L340 HydrophobicContact CG2-CD2 3.96Å
236	R	97.6	Very high	96.1	Very high	159 Å²	159	58.7 Å²	58.7	60%	0.6	34%	0.342	S	S	*	.			trans	-85.9	-43.2	176	-78.2	179	-153.4	-178.7	-8	112.4	F339 L340	R236-F339 PolarHBondContact N-O 2.86Å; R236-L340 WeakPolarHBondContact CD-O 3.3Å; R236-L340 WeakPolarHBondContact CD-OXT 3.16Å; R236-L340 WeakPolarHBondContact CG-OXT 3.41Å; R236-L340 VanDerWaalsContact NE-C 3.34Å; R236-L340 PolarHBondContact NE-O 2.86Å; R236-L340 PolarHBondContact NE-OXT 3.45Å
237	N	98.3	Very high	96.2	Very high	65 Å²	65	57.1 Å²	57.1	35%	0.348	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	173.7	-177.4	-157	11.3	0	0	0	110.8	K202 V235 F339	K202-N237 VanDerWaalsContact CE-OD1 3.28Å; K202-N237 WeakPolarHBondContact CE-OD1 3.49Å; K202-N237 PolarHBondContact NZ-OD1 2.99Å; V235-N237 WeakPolarHBondContact CG1-O 3.45Å; N237-F339 HydrophobicContact CB-CB 4.2Å; N237-F339 HydrophobicContact CB-CD2 3.99Å; N237-F339 PolarHBondContact N-O 2.91Å; N237-F339 WeakPolarHBondContact O-CA 3.42Å; N237-F339 WeakPolarHBondContact O-CB 3.14Å; N237-F339 PolarHBondContact O-N 3.31Å
238	F	98.3	Very high	96.4	Very high	37 Å²	37	59.7 Å²	59.7	16%	0.162	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	159.9	169.9	70.2	-79.2	0	0	0	109.3	L198 A199 K202 L240 A337	L198-F238 HydrophobicContact CB-CB 4.19Å; L198-F238 HydrophobicContact CB-CD1 3.71Å; L198-F238 HydrophobicContact CB-CD2 3.99Å; L198-F238 HydrophobicContact CB-CE1 4.03Å; L198-F238 HydrophobicContact CB-CE2 4.28Å; L198-F238 HydrophobicContact CB-CG 3.7Å; L198-F238 HydrophobicContact CB-CZ 4.3Å; L198-F238 HydrophobicContact CD1-CB 4.01Å; L198-F238 HydrophobicContact CD1-CD2 3.98Å; L198-F238 HydrophobicContact CD1-CG 4.07Å; L198-F238 HydrophobicContact CD2-CB 4.5Å; L198-F238 HydrophobicContact CG-CB 4.47Å; L198-F238 HydrophobicContact CG-CG 4.42Å; A199-F238 HydrophobicContact CB-CE1 4.21Å; A199-F238 HydrophobicContact CB-CZ 4.21Å; K202-F238 HydrophobicContact CD-CD1 4.17Å; K202-F238 HydrophobicContact CD-CE1 4.12Å; F238-L240 HydrophobicContact CD2-CB 4.39Å; F238-L240 HydrophobicContact CE2-CB 4.1Å; F238-A337 CarbonylContact C-O 3.39Å; F238-A337 WeakPolarHBondContact CA-O 3.24Å; F238-A337 VanDerWaalsContact CB-O 3.28Å; F238-A337 WeakPolarHBondContact CB-O 3.26Å
239	S	97.6	Very high	96.8	Very high	20 Å²	20	54.2 Å²	54.2	14%	0.14	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	155.1	165.3	65	0	0	0	0	109.5	A336 A337	S239-A336 WeakPolarHBondContact O-CA 3.45Å; S239-A336 WeakPolarHBondContact O-CB 3.2Å; S239-A337 PolarHBondContact N-O 3.25Å; S239-A337 PolarHBondContact O-N 2.8Å; S239-A337 WeakPolarHBondContact OG-CB 3.48Å
240	L	97.9	Very high	97.1	Very high	33 Å²	33	49.3 Å²	49.3	17%	0.173	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	116.6	174.6	177.4	69.7	0	0	0	107.7	A116 P117 F238 V335 A336	A116-L240 HydrophobicContact CB-CD1 4.24Å; A116-L240 HydrophobicContact CB-CD2 4.35Å; A116-L240 HydrophobicContact CB-CG 3.85Å; P117-L240 WeakPolarHBondContact CD-O 3.2Å; F238-L240 HydrophobicContact CD2-CB 4.39Å; F238-L240 HydrophobicContact CE2-CB 4.1Å; L240-V335 WeakPolarHBondContact CA-O 3.37Å; L240-A336 HydrophobicContact CD1-CB 4.21Å
241	H	97.9	Very high	97.3	Very high	47 Å²	47	47.2 Å²	47.2	22%	0.218	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	153.4	-177.5	-63.9	-68.8	0	0	0	112.2	A116 P117 F119 F243 V335	A116-H241 VanDerWaalsContact CB-C 3.5Å; P117-H241 CarbonylContact O-C 3.09Å; P117-H241 VanDerWaalsContact O-CA 3.25Å; P117-H241 WeakPolarHBondContact O-CA 3.23Å; F119-H241 HydrophobicContact CB-CB 4.11Å; F119-H241 HydrophobicContact CD2-CB 4.32Å; H241-F243 HydrophobicContact CB-CD2 4.33Å; H241-F243 HydrophobicContact CB-CE2 3.66Å; H241-F243 HydrophobicContact CB-CZ 3.85Å; H241-V335 PolarHBondContact N-O 2.81Å; H241-V335 PolarHBondContact O-N 2.75Å
242	S	97.6	Very high	97.4	Very high	22 Å²	22	39.5 Å²	39.5	15%	0.154	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-90.4	127.2	160.6	-179.7	0	0	0	0	109.1	P117 F119 S244 A332 D333	P117-S242 PolarHBondContact O-N 2.82Å; F119-S242 PolarHBondContact N-O 3.24Å; S242-S244 WeakPolarHBondContact OG-CB 3.25Å; S242-S244 PolarHBondContact OG-N 3.43Å; S242-A332 CarbonylContact C-O 3.11Å; S242-A332 WeakPolarHBondContact CA-O 3.33Å; S242-D333 WeakPolarHBondContact CA-O 3.36Å; S242-D333 WeakPolarHBondContact CB-O 3.1Å; S242-D333 PolarHBondContact OG-O 2.76Å
243	F	97.4	Very high	97.5	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.018	21%	0.214	C	C	.	.			trans	-106.4	20.2	170.8	-62.1	-88.7	0	0	0	111.3	F119 H241 G245 Q246 E247 A249 M250 Q253 A332 V335	F119-F243 HydrophobicContact CB-CD1 3.72Å; F119-F243 HydrophobicContact CB-CE1 3.51Å; F119-F243 HydrophobicContact CB-CG 4.44Å; F119-F243 HydrophobicContact CB-CZ 4.04Å; F119-F243 HydrophobicContact CD1-CD1 4.2Å; F119-F243 AromaticContact CD1-CE1 3.72Å; F119-F243 HydrophobicContact CD1-CE1 3.72Å; F119-F243 HydrophobicContact CD2-CD1 4.39Å; F119-F243 AromaticContact CD2-CE1 3.36Å; F119-F243 HydrophobicContact CD2-CE1 3.36Å; F119-F243 AromaticContact CD2-CZ 3.54Å; F119-F243 HydrophobicContact CD2-CZ 3.54Å; F119-F243 HydrophobicContact CE1-CE1 4.23Å; F119-F243 AromaticContact CE2-CE1 3.92Å; F119-F243 HydrophobicContact CE2-CE1 3.92Å; F119-F243 HydrophobicContact CE2-CZ 4.13Å; F119-F243 AromaticContact CG-CD1 3.87Å; F119-F243 HydrophobicContact CG-CD1 3.87Å; F119-F243 AromaticContact CG-CE1 3.23Å; F119-F243 HydrophobicContact CG-CE1 3.23Å; F119-F243 AromaticContact CG-CZ 3.86Å; F119-F243 HydrophobicContact CG-CZ 3.86Å; F119-F243 HydrophobicContact CZ-CE1 4.32Å; H241-F243 HydrophobicContact CB-CD2 4.33Å; H241-F243 HydrophobicContact CB-CE2 3.66Å; H241-F243 HydrophobicContact CB-CZ 3.85Å; F243-G245 PolarHBondContact O-N 2.97Å; F243-Q246 CarbonylContact O-C 3.58Å; F243-Q246 VanDerWaalsContact O-C 3.27Å; F243-Q246 WeakPolarHBondContact O-CA 3.48Å; F243-Q246 PolarHBondContact O-N 3.46Å; F243-E247 PolarHBondContact O-N 3.34Å; F243-A249 HydrophobicContact CD1-CB 4.11Å; F243-A249 HydrophobicContact CE1-CB 4.33Å; F243-M250 HydrophobicContact CB-CB 3.82Å; F243-M250 HydrophobicContact CB-CG 4.44Å; F243-M250 HydrophobicContact CB-SD 4.42Å; F243-M250 HydrophobicContact CD1-CB 3.85Å; F243-M250 HydrophobicContact CD2-CB 4.09Å; F243-M250 HydrophobicContact CD2-CG 4.1Å; F243-M250 HydrophobicContact CE1-CB 4.47Å; F243-M250 HydrophobicContact CG-CB 3.65Å; F243-M250 HydrophobicContact CG-CG 4.17Å; F243-Q253 HydrophobicContact CE1-CG 3.77Å; F243-Q253 HydrophobicContact CZ-CB 4.47Å; F243-Q253 HydrophobicContact CZ-CG 3.53Å; F243-A332 HydrophobicContact CB-CB 4.04Å; F243-A332 PolarHBondContact N-O 2.78Å; F243-V335 HydrophobicContact CD2-CB 3.81Å; F243-V335 HydrophobicContact CD2-CG1 4.24Å; F243-V335 HydrophobicContact CD2-CG2 3.98Å; F243-V335 HydrophobicContact CE2-CB 3.9Å; F243-V335 HydrophobicContact CE2-CG1 4.1Å
244	S	95.4	Very high	97.5	Very high	54 Å²	54	38.6 Å²	38.6	38%	0.378	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	121.6	175.1	-150.9	0	0	0	0	109.8	S242 Q246 N327 A332 D333	S242-S244 WeakPolarHBondContact OG-CB 3.25Å; S242-S244 PolarHBondContact OG-N 3.43Å; S244-Q246 VanDerWaalsContact C-N 3.25Å; S244-Q246 PolarHBondContact O-N 2.97Å; S244-N327 PolarHBondContact OG-ND2 3Å; S244-N327 VanDerWaalsContact OG-ND2 3.15Å; S244-A332 PolarHBondContact N-O 2.75Å; S244-D333 WeakPolarHBondContact CB-OD1 3.32Å; S244-D333 PolarHBondContact OG-OD1 2.79Å; S244-D333 VanDerWaalsContact OG-OD1 3.13Å
245	G	95.1	Very high	97.6	Very high	79 Å²	79	37.9 Å²	37.9	81%	0.814	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.9	5.1	-172	0	0	0	0	0	115.6	F243	F243-G245 PolarHBondContact O-N 2.97Å
246	Q	96.6	Very high	97.5	Very high	76 Å²	76	42.6 Å²	42.6	36%	0.355	23%	0.23	S	C	.	.			trans	-137.2	36.2	-176.3	-59.4	-173.6	85.4	0	0	112.1	F119 F243 S244 E248 A249 M250	F119-Q246 PolarHBondContact O-NE2 3.16Å; F243-Q246 CarbonylContact O-C 3.58Å; F243-Q246 VanDerWaalsContact O-C 3.27Å; F243-Q246 WeakPolarHBondContact O-CA 3.48Å; F243-Q246 PolarHBondContact O-N 3.46Å; S244-Q246 VanDerWaalsContact C-N 3.25Å; S244-Q246 PolarHBondContact O-N 2.97Å; Q246-E248 PolarHBondContact O-N 3.1Å; Q246-A249 HydrophobicContact CB-CB 4.34Å; Q246-A249 WeakPolarHBondContact O-CB 3.37Å; Q246-A249 PolarHBondContact O-N 3.32Å; Q246-M250 PolarHBondContact O-N 3Å
247	E	97.6	Very high	97.4	Very high	13 Å²	13	37.9 Å²	37.9	6%	0.061	21%	0.214	C	C	.	.	H	α-helix	trans	-59.9	-28	-176.5	-76.1	-177.3	-118.6	0	0	113.8	F243 A249 M250 M251 W304 I324 G325 S326 N327 A332	F243-E247 PolarHBondContact O-N 3.34Å; E247-A249 VanDerWaalsContact C-N 3.33Å; E247-A249 PolarHBondContact O-N 3.31Å; E247-M250 VanDerWaalsContact O-CB 3.29Å; E247-M250 WeakPolarHBondContact O-CB 3.47Å; E247-M250 PolarHBondContact O-N 2.67Å; E247-M251 PolarHBondContact O-N 2.99Å; E247-W304 HydrophobicContact CB-CZ2 4.04Å; E247-W304 HydrophobicContact CG-CZ2 4.37Å; E247-W304 PolarHBondContact OE2-NE1 2.84Å; E247-I324 HydrophobicContact CB-CG2 4.44Å; E247-I324 WeakPolarHBondContact OE2-CA 3.33Å; E247-G325 WeakPolarHBondContact OE1-CA 3.49Å; E247-G325 PolarHBondContact OE1-N 3.34Å; E247-G325 VanDerWaalsContact OE1-N 3.08Å; E247-G325 PolarHBondContact OE2-N 2.9Å; E247-S326 PolarHBondContact OE1-N 2.77Å; E247-N327 WeakPolarHBondContact OE1-CA 3.49Å; E247-N327 PolarHBondContact OE1-N 2.93Å; E247-A332 HydrophobicContact CG-CB 3.93Å
248	E	96.9	Very high	97.4	Very high	119 Å²	119	34.8 Å²	34.8	56%	0.556	20%	0.197	S	C	*	.	H	α-helix	trans	-65.4	-36.1	172.6	-164	-173.7	169.2	0	0	112	T123 Q246 M250 M251 G252	T123-E248 HydrophobicContact CG2-CB 4.01Å; T123-E248 VanDerWaalsContact CG2-CD 3.47Å; T123-E248 HydrophobicContact CG2-CG 3.54Å; Q246-E248 PolarHBondContact O-N 3.1Å; E248-M250 VanDerWaalsContact C-N 3.31Å; E248-M251 WeakPolarHBondContact O-CB 3.5Å; E248-M251 PolarHBondContact O-N 3.18Å; E248-G252 PolarHBondContact O-N 2.87Å
249	A	97.9	Very high	97.5	Very high	3 Å²	3	33 Å²	33	3%	0.025	19%	0.189	C	C	.	.	H	α-helix	trans	-68	-34.3	173.6	0	0	0	0	0	111.4	F119 F243 Q246 E247 M251 G252 Q253	F119-A249 HydrophobicContact CD1-CB 3.9Å; F119-A249 HydrophobicContact CE1-CB 3.86Å; F243-A249 HydrophobicContact CD1-CB 4.11Å; F243-A249 HydrophobicContact CE1-CB 4.33Å; Q246-A249 HydrophobicContact CB-CB 4.34Å; Q246-A249 WeakPolarHBondContact O-CB 3.37Å; Q246-A249 PolarHBondContact O-N 3.32Å; E247-A249 VanDerWaalsContact C-N 3.33Å; E247-A249 PolarHBondContact O-N 3.31Å; A249-M251 VanDerWaalsContact C-N 3.33Å; A249-M251 PolarHBondContact O-N 3.15Å; A249-G252 WeakPolarHBondContact O-CA 3.27Å; A249-G252 PolarHBondContact O-N 3.02Å; A249-G252 VanDerWaalsContact O-N 3.13Å; A249-Q253 PolarHBondContact O-N 2.88Å; A249-Q253 VanDerWaalsContact O-N 3.07Å
250	M	98.4	Very high	97.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.5	-39.7	172.1	-173.5	179.1	165.8	0	0	111.7	F243 Q246 E247 E248 G252 Q253 L254 L260 V292 W304 A332 V335	F243-M250 HydrophobicContact CB-CB 3.82Å; F243-M250 HydrophobicContact CB-CG 4.44Å; F243-M250 HydrophobicContact CB-SD 4.42Å; F243-M250 HydrophobicContact CD1-CB 3.85Å; F243-M250 HydrophobicContact CD2-CB 4.09Å; F243-M250 HydrophobicContact CD2-CG 4.1Å; F243-M250 HydrophobicContact CE1-CB 4.47Å; F243-M250 HydrophobicContact CG-CB 3.65Å; F243-M250 HydrophobicContact CG-CG 4.17Å; Q246-M250 PolarHBondContact O-N 3Å; E247-M250 VanDerWaalsContact O-CB 3.29Å; E247-M250 WeakPolarHBondContact O-CB 3.47Å; E247-M250 PolarHBondContact O-N 2.67Å; E248-M250 VanDerWaalsContact C-N 3.31Å; M250-G252 VanDerWaalsContact C-N 3.26Å; M250-G252 PolarHBondContact O-N 2.79Å; M250-Q253 WeakPolarHBondContact O-CB 3.39Å; M250-Q253 PolarHBondContact O-N 2.66Å; M250-Q253 VanDerWaalsContact O-N 3.14Å; M250-L254 PolarHBondContact O-N 3.13Å; M250-L260 HydrophobicContact CE-CD1 4.15Å; M250-L260 HydrophobicContact CG-CD1 3.79Å; M250-V292 HydrophobicContact CE-CB 4.37Å; M250-V292 HydrophobicContact CE-CG1 4.35Å; M250-V292 HydrophobicContact CE-CG2 3.88Å; M250-W304 HydrophobicContact CB-CH2 3.97Å; M250-W304 HydrophobicContact CB-CZ2 4.23Å; M250-W304 HydrophobicContact CE-CH2 4.49Å; M250-W304 HydrophobicContact CE-CZ2 4.47Å; M250-W304 HydrophobicContact CG-CH2 3.88Å; M250-W304 HydrophobicContact CG-CZ2 4.21Å; M250-W304 HydrophobicContact SD-CH2 4.07Å; M250-W304 HydrophobicContact SD-CZ2 3.84Å; M250-A332 HydrophobicContact SD-CB 4.2Å; M250-V335 HydrophobicContact CE-CG1 3.93Å; M250-V335 HydrophobicContact CE-CG2 3.86Å; M250-V335 HydrophobicContact CG-CG1 4.41Å; M250-V335 HydrophobicContact SD-CG1 4.46Å; M250-V335 HydrophobicContact SD-CG2 3.96Å
251	M	98.6	Very high	97.6	Very high	15 Å²	15	30.6 Å²	30.6	7%	0.074	18%	0.175	C	C	.	.	H	α-helix	trans	-58.9	-41.2	173	-62.9	177.3	-170.9	0	0	111	L127 E247 E248 A249 Q253 L254 V255 Y295 T297 W304 I324	L127-M251 HydrophobicContact CD1-CB 3.81Å; E247-M251 PolarHBondContact O-N 2.99Å; E248-M251 WeakPolarHBondContact O-CB 3.5Å; E248-M251 PolarHBondContact O-N 3.18Å; A249-M251 VanDerWaalsContact C-N 3.33Å; A249-M251 PolarHBondContact O-N 3.15Å; M251-Q253 VanDerWaalsContact C-N 3.34Å; M251-Q253 PolarHBondContact O-N 3.4Å; M251-L254 WeakPolarHBondContact O-CB 3.43Å; M251-L254 PolarHBondContact O-N 3.38Å; M251-V255 WeakPolarHBondContact O-CG2 3.02Å; M251-V255 PolarHBondContact O-N 3.24Å; M251-Y295 HydrophobicContact CB-CD1 4.07Å; M251-Y295 HydrophobicContact CB-CE1 3.68Å; M251-Y295 HydrophobicContact CG-CD1 3.83Å; M251-Y295 HydrophobicContact CG-CE1 3.9Å; M251-Y295 HydrophobicContact CG-CG 4.18Å; M251-Y295 HydrophobicContact SD-CD1 4.4Å; M251-Y295 HydrophobicContact SD-CD2 4.07Å; M251-Y295 HydrophobicContact SD-CE1 4.35Å; M251-Y295 HydrophobicContact SD-CE2 4Å; M251-Y295 HydrophobicContact SD-CG 4.28Å; M251-T297 HydrophobicContact CE-CG2 3.87Å; M251-T297 HydrophobicContact SD-CG2 4.37Å; M251-W304 HydrophobicContact CB-CH2 4.27Å; M251-W304 HydrophobicContact CE-CH2 4.33Å; M251-W304 HydrophobicContact CE-CZ2 4.45Å; M251-W304 HydrophobicContact CG-CH2 3.38Å; M251-W304 HydrophobicContact CG-CZ2 4.27Å; M251-W304 HydrophobicContact CG-CZ3 3.81Å; M251-I324 HydrophobicContact CE-CD1 3.5Å; M251-I324 HydrophobicContact CE-CG1 4.13Å; M251-I324 HydrophobicContact CE-CG2 3.7Å
252	G	97.9	Very high	97.6	Very high	3 Å²	3	28.4 Å²	28.4	3%	0.031	17%	0.165	C	C	.	.	H	α-helix	trans	-58.3	-44.1	174.8	0	0	0	0	0	112.8	E248 A249 M250 Q256	E248-G252 PolarHBondContact O-N 2.87Å; A249-G252 WeakPolarHBondContact O-CA 3.27Å; A249-G252 PolarHBondContact O-N 3.02Å; A249-G252 VanDerWaalsContact O-N 3.13Å; M250-G252 VanDerWaalsContact C-N 3.26Å; M250-G252 PolarHBondContact O-N 2.79Å; G252-Q256 WeakPolarHBondContact O-CB 3.06Å; G252-Q256 PolarHBondContact O-N 3.48Å
253	Q	97.9	Very high	97.6	Very high	22 Å²	22	27.5 Å²	27.5	10%	0.103	16%	0.158	C	C	.	.	H	α-helix	trans	-64.3	-43.3	175.7	-63	-57.7	-71.9	0	0	112	F119 F243 A249 M250 M251 V255 Q256 F257 L260	F119-Q253 HydrophobicContact CE2-CG 4.33Å; F243-Q253 HydrophobicContact CE1-CG 3.77Å; F243-Q253 HydrophobicContact CZ-CB 4.47Å; F243-Q253 HydrophobicContact CZ-CG 3.53Å; A249-Q253 PolarHBondContact O-N 2.88Å; A249-Q253 VanDerWaalsContact O-N 3.07Å; M250-Q253 WeakPolarHBondContact O-CB 3.39Å; M250-Q253 PolarHBondContact O-N 2.66Å; M250-Q253 VanDerWaalsContact O-N 3.14Å; M251-Q253 VanDerWaalsContact C-N 3.34Å; M251-Q253 PolarHBondContact O-N 3.4Å; Q253-V255 PolarHBondContact O-N 3.19Å; Q253-Q256 PolarHBondContact O-N 3.32Å; Q253-F257 HydrophobicContact CB-CD2 4.43Å; Q253-F257 WeakPolarHBondContact O-CB 3.25Å; Q253-F257 PolarHBondContact O-N 3.47Å; Q253-F257 VanDerWaalsContact OE1-CD2 3.28Å; Q253-L260 HydrophobicContact CB-CD1 4.18Å; Q253-L260 HydrophobicContact CB-CD2 4.32Å
254	L	98.5	Very high	97.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-59.1	-47.8	178.5	-179.8	75.3	0	0	0	111.5	W133 M250 M251 G258 L260 V292 Y295 W304	W133-L254 PolarHBondContact NE1-O 2.9Å; M250-L254 PolarHBondContact O-N 3.13Å; M251-L254 WeakPolarHBondContact O-CB 3.43Å; M251-L254 PolarHBondContact O-N 3.38Å; L254-G258 WeakPolarHBondContact CA-O 3.3Å; L254-G258 CarbonylContact O-C 3.48Å; L254-G258 WeakPolarHBondContact O-CA 3.43Å; L254-G258 PolarHBondContact O-N 3.44Å; L254-G258 VanDerWaalsContact O-N 3.09Å; L254-L260 HydrophobicContact CB-CD1 3.91Å; L254-L260 HydrophobicContact CB-CG 4.24Å; L254-L260 HydrophobicContact CD1-CD1 4.38Å; L254-L260 HydrophobicContact CD1-CG 3.98Å; L254-V292 HydrophobicContact CD1-CG1 4.33Å; L254-V292 WeakPolarHBondContact CD1-O 2.98Å; L254-V292 HydrophobicContact CD2-CG1 4.45Å; L254-Y295 HydrophobicContact CD2-CD1 3.74Å; L254-Y295 HydrophobicContact CD2-CE1 4.25Å; L254-W304 HydrophobicContact CD2-CZ3 4.31Å
255	V	97.9	Very high	97.8	Very high	24 Å²	24	25.4 Å²	25.4	15%	0.145	14%	0.143	C	C	.	.	H	α-helix	trans	-69	-35.7	-179.2	172.6	0	0	0	0	111.5	L127 F131 M251 Q253 Y295	L127-V255 HydrophobicContact CD2-CB 4.1Å; L127-V255 HydrophobicContact CD2-CG1 4.26Å; L127-V255 HydrophobicContact CD2-CG2 4.08Å; F131-V255 HydrophobicContact CB-CG2 4.31Å; F131-V255 HydrophobicContact CD1-CG2 3.95Å; F131-V255 HydrophobicContact CD2-CG2 4.04Å; F131-V255 HydrophobicContact CE1-CG2 4.28Å; F131-V255 HydrophobicContact CE2-CG1 4.32Å; F131-V255 HydrophobicContact CE2-CG2 4.35Å; F131-V255 HydrophobicContact CG-CG2 3.82Å; F131-V255 HydrophobicContact CZ-CG2 4.47Å; M251-V255 WeakPolarHBondContact O-CG2 3.02Å; M251-V255 PolarHBondContact O-N 3.24Å; Q253-V255 PolarHBondContact O-N 3.19Å; V255-Y295 HydrophobicContact CG2-CE1 3.94Å
256	Q	96.1	Very high	97.9	Very high	100 Å²	100	21.7 Å²	21.7	47%	0.467	10%	0.104	S	C	.	.	H	α-helix	trans	-80.7	-41	-176	-174.7	173.1	5.1	0	0	113.2	G252 Q253	G252-Q256 WeakPolarHBondContact O-CB 3.06Å; G252-Q256 PolarHBondContact O-N 3.48Å; Q253-Q256 PolarHBondContact O-N 3.32Å
257	F	96.9	Very high	97.9	Very high	60 Å²	60	19.4 Å²	19.4	26%	0.263	10%	0.095	S	C	.	.	H	α-helix	trans	-116.5	-7.1	-165.5	-60.6	-59.6	0	0	0	114.2	V163 Q253 A337 F339	V163-F257 WeakPolarHBondContact CG2-O 3.48Å; Q253-F257 HydrophobicContact CB-CD2 4.43Å; Q253-F257 WeakPolarHBondContact O-CB 3.25Å; Q253-F257 PolarHBondContact O-N 3.47Å; Q253-F257 VanDerWaalsContact OE1-CD2 3.28Å; F257-A337 HydrophobicContact CB-CB 4.17Å; F257-F339 HydrophobicContact CB-CE1 4.11Å; F257-F339 HydrophobicContact CD1-CD1 4.25Å; F257-F339 AromaticContact CD1-CE1 3.52Å; F257-F339 HydrophobicContact CD1-CE1 3.52Å; F257-F339 HydrophobicContact CD1-CZ 4.48Å; F257-F339 HydrophobicContact CD2-CE1 4.33Å; F257-F339 AromaticContact CE1-CE1 3.92Å; F257-F339 HydrophobicContact CE1-CE1 3.92Å; F257-F339 AromaticContact CG-CE1 3.74Å; F257-F339 HydrophobicContact CG-CE1 3.74Å; F257-F339 HydrophobicContact CG-CZ 4.48Å; F257-F339 HydrophobicContact CZ-CE1 4.48Å
258	G	98.1	Very high	97.9	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.094	C	C	.	.			trans	105.4	-175.9	179.6	0	0	0	0	0	113.1	M166 L254	M166-G258 WeakPolarHBondContact SD-CA 3.28Å; L254-G258 WeakPolarHBondContact CA-O 3.3Å; L254-G258 CarbonylContact O-C 3.48Å; L254-G258 WeakPolarHBondContact O-CA 3.43Å; L254-G258 PolarHBondContact O-N 3.44Å; L254-G258 VanDerWaalsContact O-N 3.09Å
259	P	98.8	Very high	97.9	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.067	C	C	.	.			trans	-51.9	139.9	175.6	-30.2	39.1	0	0	0	113.5	W133 V139 A162 L291 V292 V293	W133-P259 HydrophobicContact CB-CG 4.03Å; W133-P259 HydrophobicContact CG-CG 3.85Å; V139-P259 HydrophobicContact CG2-CG 4.34Å; A162-P259 HydrophobicContact CB-CB 4.33Å; A162-P259 HydrophobicContact CB-CG 3.57Å; P259-L291 HydrophobicContact CB-CD1 3.73Å; P259-L291 HydrophobicContact CB-CD2 3.92Å; P259-L291 HydrophobicContact CB-CG 3.79Å; P259-V292 CarbonylContact C-O 3.55Å; P259-V292 WeakPolarHBondContact CA-O 3.37Å; P259-V292 WeakPolarHBondContact CB-O 3.32Å; P259-V293 HydrophobicContact CB-CG1 4.17Å; P259-V293 HydrophobicContact CG-CG1 4.35Å
260	L	98.9	Very high	98	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.005	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	129.1	-174.1	-55.4	175.1	0	0	0	110.4	M250 Q253 L254 V292 V335 A336 A337	M250-L260 HydrophobicContact CE-CD1 4.15Å; M250-L260 HydrophobicContact CG-CD1 3.79Å; Q253-L260 HydrophobicContact CB-CD1 4.18Å; Q253-L260 HydrophobicContact CB-CD2 4.32Å; L254-L260 HydrophobicContact CB-CD1 3.91Å; L254-L260 HydrophobicContact CB-CG 4.24Å; L254-L260 HydrophobicContact CD1-CD1 4.38Å; L254-L260 HydrophobicContact CD1-CG 3.98Å; L260-V292 HydrophobicContact CB-CB 4.39Å; L260-V292 PolarHBondContact N-O 3.37Å; L260-V292 PolarHBondContact O-N 2.76Å; L260-V335 HydrophobicContact CB-CG1 3.71Å; L260-V335 HydrophobicContact CD1-CG1 3.74Å; L260-V335 HydrophobicContact CG-CG1 4.2Å; L260-A336 WeakPolarHBondContact CA-O 3.41Å; L260-A337 HydrophobicContact CD2-CB 3.62Å
261	A	98.7	Very high	97.9	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.008	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	124.2	170	0	0	0	0	0	108.7	P194 V290 V335 A336	P194-A261 HydrophobicContact CB-CB 4.35Å; A261-V290 WeakPolarHBondContact CA-O 3.27Å; A261-V335 CarbonylContact O-C 3.27Å; A261-V335 WeakPolarHBondContact O-CA 3.29Å; A261-A336 HydrophobicContact CB-CB 4.48Å; A261-A336 PolarHBondContact N-O 2.88Å; A261-A336 PolarHBondContact O-N 2.81Å
262	A	98.5	Very high	97.9	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	159.2	-178.5	0	0	0	0	0	110.9	A289 V290 V292 I331 S334 V335	A262-A289 CarbonylContact O-C 3.51Å; A262-A289 VanDerWaalsContact O-CA 3.3Å; A262-A289 WeakPolarHBondContact O-CA 3.46Å; A262-V290 HydrophobicContact CB-CG2 4.33Å; A262-V290 PolarHBondContact N-O 3.25Å; A262-V290 PolarHBondContact O-N 3.06Å; A262-V292 HydrophobicContact CB-CG2 3.95Å; A262-I331 HydrophobicContact CB-CG1 4.45Å; A262-S334 WeakPolarHBondContact CA-O 3.45Å; A262-V335 HydrophobicContact CB-CG2 4.38Å
263	I	97.9	Very high	97.9	Very high	4 Å²	4	15.8 Å²	15.8	2%	0.021	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	131.4	174.9	-48.4	174.7	0	0	0	108.9	A111 E112 P194 H288 A289 S334	A111-I263 HydrophobicContact CB-CG2 4.16Å; E112-I263 VanDerWaalsContact O-CD1 3.31Å; E112-I263 WeakPolarHBondContact O-CD1 3.14Å; P194-I263 HydrophobicContact CG-CG1 4.44Å; I263-H288 CarbonylContact C-O 3.58Å; I263-H288 VanDerWaalsContact CA-O 3.28Å; I263-H288 WeakPolarHBondContact CA-O 3.22Å; I263-H288 WeakPolarHBondContact CG2-O 3.06Å; I263-A289 HydrophobicContact CG1-CB 4.45Å; I263-S334 PolarHBondContact N-O 2.92Å
264	V	98.4	Very high	97.9	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	161.3	-174.3	-67.9	0	0	0	0	111.4	A266 W269 S286 N287 H288 V290 C329 I331	V264-A266 HydrophobicContact CG2-CB 4.17Å; V264-W269 HydrophobicContact CB-CH2 4.31Å; V264-W269 HydrophobicContact CB-CZ2 4.33Å; V264-W269 HydrophobicContact CG1-CH2 4.35Å; V264-W269 HydrophobicContact CG2-CH2 3.69Å; V264-W269 HydrophobicContact CG2-CZ2 4.04Å; V264-W269 HydrophobicContact CG2-CZ3 4.03Å; V264-S286 CarbonylContact O-C 3.59Å; V264-S286 WeakPolarHBondContact O-CA 3.1Å; V264-N287 PolarHBondContact O-N 3.29Å; V264-H288 HydrophobicContact CG2-CB 4.17Å; V264-H288 WeakPolarHBondContact CG2-O 3.18Å; V264-H288 PolarHBondContact N-O 2.71Å; V264-H288 PolarHBondContact O-N 3.38Å; V264-V290 HydrophobicContact CG1-CG2 4.15Å; V264-V290 HydrophobicContact CG2-CG1 4.05Å; V264-V290 HydrophobicContact CG2-CG2 4.07Å; V264-C329 CarbonylContact C-O 3.52Å; V264-C329 WeakPolarHBondContact CA-O 3.31Å; V264-C329 HydrophobicContact CB-CB 4.17Å; V264-C329 HydrophobicContact CG1-CB 4.43Å; V264-I331 HydrophobicContact CG1-CB 3.8Å; V264-I331 HydrophobicContact CG1-CD1 4.46Å; V264-I331 HydrophobicContact CG1-CG1 3.86Å
265	D	97.9	Very high	97.8	Very high	14 Å²	14	16.5 Å²	16.5	8%	0.075	9%	0.093	C	C	.	.			trans	-84.6	110.2	161.4	-178.2	5.1	0	0	0	110.1	V267 C281 S282 N287 C329	D265-V267 PolarHBondContact OD1-N 2.87Å; D265-C281 HydrophobicContact CB-CB 4.26Å; D265-C281 VanDerWaalsContact O-CB 3.25Å; D265-C281 WeakPolarHBondContact O-CB 3.4Å; D265-S282 WeakPolarHBondContact CB-O 3.35Å; D265-S282 WeakPolarHBondContact OD2-CB 3.49Å; D265-S282 PolarHBondContact OD2-N 3.08Å; D265-S282 PolarHBondContact OD2-OG 3.29Å; D265-N287 PolarHBondContact OD1-ND2 3.23Å; D265-C329 PolarHBondContact N-O 3.06Å
266	A	98.1	Very high	97.8	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.088	C	C	.	.			trans	-116.9	19.7	-173.2	0	0	0	0	0	113.7	L109 V264 S268 W269 N287 H288 W310	L109-A266 HydrophobicContact CD2-CB 4.11Å; V264-A266 HydrophobicContact CG2-CB 4.17Å; A266-S268 VanDerWaalsContact C-N 3.31Å; A266-S268 PolarHBondContact O-N 2.9Å; A266-W269 HydrophobicContact CB-CB 4.01Å; A266-W269 HydrophobicContact CB-CD2 3.57Å; A266-W269 HydrophobicContact CB-CE3 3.73Å; A266-W269 HydrophobicContact CB-CG 3.71Å; A266-W269 HydrophobicContact CB-CZ3 4.44Å; A266-W269 VanDerWaalsContact O-CB 3.25Å; A266-W269 WeakPolarHBondContact O-CB 3.19Å; A266-W269 PolarHBondContact O-N 3.35Å; A266-N287 PolarHBondContact N-OD1 3.39Å; A266-H288 HydrophobicContact CB-CB 3.57Å; A266-W310 HydrophobicContact CB-CH2 4.3Å
267	V	97.2	Very high	97.9	Very high	28 Å²	28	11 Å²	11	17%	0.17	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	-59.6	-41.6	-179.4	175.1	0	0	0	0	111.8	Q101 K105 L109 D265 W269	Q101-V267 HydrophobicContact CB-CG1 4.16Å; Q101-V267 HydrophobicContact CG-CG1 4.06Å; K105-V267 HydrophobicContact CD-CG2 4.41Å; L109-V267 HydrophobicContact CD1-CB 4.47Å; L109-V267 HydrophobicContact CD1-CG2 3.95Å; D265-V267 PolarHBondContact OD1-N 2.87Å; V267-W269 VanDerWaalsContact C-N 3.25Å; V267-W269 PolarHBondContact O-N 3.07Å
268	S	95.8	Very high	97.9	Very high	3 Å²	3	9 Å²	9	2%	0.021	6%	0.057	C	C	.	.	G	3₁₀ helix	trans	-73.2	-16.4	176.2	52	0	0	0	0	113.8	Y91 A266 Q270 H280	Y91-S268 WeakPolarHBondContact CE1-O 3.37Å; A266-S268 VanDerWaalsContact C-N 3.31Å; A266-S268 PolarHBondContact O-N 2.9Å; S268-Q270 PolarHBondContact O-N 2.94Å; S268-H280 WeakPolarHBondContact CB-O 3.25Å; S268-H280 PolarHBondContact OG-O 3.25Å
269	W	98.3	Very high	97.7	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-72.3	-14.7	-178.7	-62	17.5	0	0	0	111.8	V264 A266 V267 D271 Y272 I277 V290 W310 W314 V320 V322 C329	V264-W269 HydrophobicContact CB-CH2 4.31Å; V264-W269 HydrophobicContact CB-CZ2 4.33Å; V264-W269 HydrophobicContact CG1-CH2 4.35Å; V264-W269 HydrophobicContact CG2-CH2 3.69Å; V264-W269 HydrophobicContact CG2-CZ2 4.04Å; V264-W269 HydrophobicContact CG2-CZ3 4.03Å; A266-W269 HydrophobicContact CB-CB 4.01Å; A266-W269 HydrophobicContact CB-CD2 3.57Å; A266-W269 HydrophobicContact CB-CE3 3.73Å; A266-W269 HydrophobicContact CB-CG 3.71Å; A266-W269 HydrophobicContact CB-CZ3 4.44Å; A266-W269 VanDerWaalsContact O-CB 3.25Å; A266-W269 WeakPolarHBondContact O-CB 3.19Å; A266-W269 PolarHBondContact O-N 3.35Å; V267-W269 VanDerWaalsContact C-N 3.25Å; V267-W269 PolarHBondContact O-N 3.07Å; W269-D271 PolarHBondContact O-N 2.86Å; W269-Y272 WeakPolarHBondContact O-CB 3.2Å; W269-Y272 PolarHBondContact O-N 3.43Å; W269-I277 VanDerWaalsContact CD1-CD1 3.48Å; W269-I277 HydrophobicContact CD2-CD1 4.11Å; W269-I277 HydrophobicContact CG-CD1 3.97Å; W269-I277 HydrophobicContact CZ2-CD1 4.41Å; W269-I277 VanDerWaalsContact NE1-CD1 3.35Å; W269-V290 HydrophobicContact CZ3-CG1 3.96Å; W269-W310 HydrophobicContact CB-CH2 4.1Å; W269-W310 HydrophobicContact CB-CZ3 4.05Å; W269-W314 HydrophobicContact CB-CZ2 3.98Å; W269-W314 HydrophobicContact CE3-CH2 4.18Å; W269-W314 VanDerWaalsContact O-CZ2 3.23Å; W269-W314 WeakPolarHBondContact O-CZ2 3.33Å; W269-W314 PolarHBondContact O-NE1 2.99Å; W269-V320 HydrophobicContact CD2-CG2 4.43Å; W269-V320 HydrophobicContact CE3-CG1 3.88Å; W269-V320 HydrophobicContact CE3-CG2 4.38Å; W269-V320 HydrophobicContact CH2-CG1 3.74Å; W269-V320 HydrophobicContact CH2-CG2 4.5Å; W269-V320 HydrophobicContact CZ3-CB 4.45Å; W269-V320 HydrophobicContact CZ3-CG1 3.35Å; W269-V320 HydrophobicContact CZ3-CG2 4.41Å; W269-V322 HydrophobicContact CH2-CG2 3.78Å; W269-V322 HydrophobicContact CZ2-CG2 3.53Å; W269-C329 HydrophobicContact CZ2-CB 4.41Å
270	Q	98.3	Very high	97.4	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-41.9	-43.9	175.3	-177.5	178.7	-6.9	0	0	112.1	N94 F96 L99 F104 S268	N94-Q270 PolarHBondContact ND2-O 2.7Å; N94-Q270 PolarHBondContact OD1-O 3.48Å; F96-Q270 HydrophobicContact CB-CG 3.79Å; F96-Q270 PolarHBondContact O-NE2 3.41Å; L99-Q270 PolarHBondContact O-NE2 3.41Å; F104-Q270 HydrophobicContact CB-CG 4.18Å; F104-Q270 HydrophobicContact CD1-CB 3.62Å; F104-Q270 HydrophobicContact CD1-CG 3.89Å; F104-Q270 HydrophobicContact CD2-CB 4.32Å; F104-Q270 HydrophobicContact CD2-CG 3.79Å; F104-Q270 HydrophobicContact CE1-CB 3.63Å; F104-Q270 HydrophobicContact CE1-CG 4.19Å; F104-Q270 HydrophobicContact CE2-CB 4.35Å; F104-Q270 HydrophobicContact CE2-CG 4.12Å; F104-Q270 HydrophobicContact CG-CB 3.97Å; F104-Q270 HydrophobicContact CG-CG 3.67Å; F104-Q270 HydrophobicContact CZ-CB 4.02Å; F104-Q270 HydrophobicContact CZ-CG 4.3Å; S268-Q270 PolarHBondContact O-N 2.94Å
271	D	97.6	Very high	97.1	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-108.8	8.9	-172.8	-55.8	-76.8	0	0	0	114.1	R75 H76 Y91 G92 N94 W269 L273	R75-D271 IonicContact CZ-OD1 2.71Å; R75-D271 IonicContact CZ-OD2 3.11Å; R75-D271 IonicContact NE-OD2 3.72Å; R75-D271 PolarHBondContact NE-OD2 2.73Å; R75-D271 VanDerWaalsContact NH2-CG 3.35Å; R75-D271 IonicContact NH2-OD1 3.2Å; R75-D271 PolarHBondContact NH2-OD1 3.27Å; R75-D271 IonicContact NH2-OD2 3.02Å; R75-D271 PolarHBondContact NH2-OD2 3.34Å; H76-D271 VanDerWaalsContact CD2-CB 3.46Å; H76-D271 WeakPolarHBondContact CD2-CB 3.5Å; H76-D271 VanDerWaalsContact CD2-CG 3.5Å; H76-D271 IonicContact CD2-OD1 3.6Å; H76-D271 IonicContact CD2-OD2 2.76Å; H76-D271 IonicContact CE1-OD1 3.82Å; H76-D271 VanDerWaalsContact NE2-CB 3.33Å; H76-D271 WeakPolarHBondContact NE2-CB 3.26Å; H76-D271 IonicContact NE2-OD1 3.35Å; H76-D271 PolarHBondContact NE2-OD1 2.88Å; H76-D271 IonicContact NE2-OD2 3.25Å; Y91-D271 CarbonylContact C-O 3.56Å; Y91-D271 WeakPolarHBondContact CA-O 3.47Å; Y91-D271 HydrophobicContact CD1-CB 4.43Å; G92-D271 PolarHBondContact N-O 2.98Å; N94-D271 WeakPolarHBondContact ND2-CA 3.35Å; W269-D271 PolarHBondContact O-N 2.86Å; D271-L273 PolarHBondContact O-N 3.31Å
272	Y	98.4	Very high	96.5	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	134	-178.5	170.5	-93.3	0	0	0	111.5	A89 W269 G274 G275 I277 W314 V320 Y321	A89-Y272 HydrophobicContact CB-CD2 4.1Å; A89-Y272 HydrophobicContact CB-CE2 4.06Å; W269-Y272 WeakPolarHBondContact O-CB 3.2Å; W269-Y272 PolarHBondContact O-N 3.43Å; Y272-G274 VanDerWaalsContact CE2-C 3.41Å; Y272-G274 VanDerWaalsContact CE2-O 3.24Å; Y272-G274 WeakPolarHBondContact CE2-O 3.04Å; Y272-G274 VanDerWaalsContact CZ-C 3.49Å; Y272-G274 WeakPolarHBondContact OH-CA 3.4Å; Y272-G275 WeakPolarHBondContact CE2-O 3.48Å; Y272-G275 PolarHBondContact OH-N 2.85Å; Y272-G275 PolarHBondContact OH-O 3.24Å; Y272-I277 HydrophobicContact CD2-CD1 3.84Å; Y272-I277 HydrophobicContact CD2-CG1 3.84Å; Y272-I277 HydrophobicContact CE2-CD1 4.22Å; Y272-I277 HydrophobicContact CE2-CG1 3.91Å; Y272-I277 HydrophobicContact CG-CD1 4.36Å; Y272-W314 AromaticContact CD1-CH2 3.73Å; Y272-W314 HydrophobicContact CD1-CH2 3.73Å; Y272-W314 AromaticContact CD1-CZ2 3.75Å; Y272-W314 HydrophobicContact CD1-CZ2 3.75Å; Y272-W314 HydrophobicContact CD1-CZ3 4.26Å; Y272-W314 HydrophobicContact CE1-CH2 4.39Å; Y272-W314 HydrophobicContact CG-CH2 4.46Å; Y272-W314 HydrophobicContact CG-CZ2 4.22Å; Y272-V320 HydrophobicContact CD1-CB 4.25Å; Y272-V320 HydrophobicContact CD1-CG2 4.02Å; Y272-V320 HydrophobicContact CD2-CG2 4.29Å; Y272-V320 HydrophobicContact CE1-CB 3.84Å; Y272-V320 HydrophobicContact CE1-CG2 3.77Å; Y272-V320 HydrophobicContact CE2-CG2 4.04Å; Y272-V320 HydrophobicContact CG-CG2 4.27Å; Y272-Y321 WeakPolarHBondContact OH-CD2 3.45Å
273	L	97.6	Very high	95.9	Very high	74 Å²	74	21 Å²	21	39%	0.387	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	-28.6	177.4	-61.6	-175.9	0	0	0	113.4	T90 N94 D271 G315	T90-L273 PolarHBondContact O-N 2.82Å; N94-L273 HydrophobicContact CB-CD2 4.04Å; D271-L273 PolarHBondContact O-N 3.31Å; L273-G315 CarbonylContact O-C 3.48Å
274	G	97.3	Very high	95.1	Very high	11 Å²	11	28 Å²	28	11%	0.113	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.5	175.3	-174.9	0	0	0	0	0	112.4	A89 T90 Y272	A89-G274 CarbonylContact C-O 3.48Å; A89-G274 VanDerWaalsContact CA-O 3.28Å; A89-G274 WeakPolarHBondContact CA-O 3.31Å; T90-G274 PolarHBondContact N-O 2.98Å; T90-G274 PolarHBondContact OG1-O 3.33Å; Y272-G274 VanDerWaalsContact CE2-C 3.41Å; Y272-G274 VanDerWaalsContact CE2-O 3.24Å; Y272-G274 WeakPolarHBondContact CE2-O 3.04Å; Y272-G274 VanDerWaalsContact CZ-C 3.49Å; Y272-G274 WeakPolarHBondContact OH-CA 3.4Å
275	G	97.3	Very high	94.6	Very high	26 Å²	26	36.8 Å²	36.8	27%	0.268	19%	0.191	S	C	.	.	S	Bend	trans	82.5	-171.1	-177.4	0	0	0	0	0	113.4	Y272	Y272-G275 WeakPolarHBondContact CE2-O 3.48Å; Y272-G275 PolarHBondContact OH-N 2.85Å; Y272-G275 PolarHBondContact OH-O 3.24Å
276	I	98.3	Very high	94.4	Very high	9 Å²	9	37.1 Å²	37.1	5%	0.046	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	120.8	-171.9	-56.2	165.9	0	0	0	110.5	Q87 A89 Q278 I301 Y303 K323	Q87-I276 HydrophobicContact CB-CD1 4.06Å; Q87-I276 PolarHBondContact O-N 2.75Å; A89-I276 WeakPolarHBondContact CB-O 3.35Å; A89-I276 PolarHBondContact N-O 2.93Å; I276-Q278 HydrophobicContact CG2-CG 4.41Å; I276-Q278 PolarHBondContact O-N 2.9Å; I276-I301 HydrophobicContact CB-CG2 4.33Å; I276-I301 HydrophobicContact CD1-CB 3.82Å; I276-I301 HydrophobicContact CD1-CG2 4.09Å; I276-I301 WeakPolarHBondContact CD1-O 3.44Å; I276-I301 HydrophobicContact CG2-CG2 3.77Å; I276-Y303 HydrophobicContact CD1-CD1 3.43Å; I276-Y303 VanDerWaalsContact CD1-CD1 3.43Å; I276-Y303 HydrophobicContact CD1-CE1 4.05Å; I276-Y303 HydrophobicContact CD1-CG 4.08Å; I276-Y303 HydrophobicContact CG1-CD1 3.99Å; I276-Y303 HydrophobicContact CG1-CG 4.18Å; I276-K323 HydrophobicContact CG2-CB 3.99Å
277	I	98	Very high	94.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	124.3	175.8	-61.9	-176.4	0	0	0	109.3	A89 W269 Y272 V320 Y321 K323 I328	A89-I277 HydrophobicContact CB-CB 4.45Å; A89-I277 HydrophobicContact CB-CG1 3.8Å; W269-I277 VanDerWaalsContact CD1-CD1 3.48Å; W269-I277 HydrophobicContact CD2-CD1 4.11Å; W269-I277 HydrophobicContact CG-CD1 3.97Å; W269-I277 HydrophobicContact CZ2-CD1 4.41Å; W269-I277 VanDerWaalsContact NE1-CD1 3.35Å; Y272-I277 HydrophobicContact CD2-CD1 3.84Å; Y272-I277 HydrophobicContact CD2-CG1 3.84Å; Y272-I277 HydrophobicContact CE2-CD1 4.22Å; Y272-I277 HydrophobicContact CE2-CG1 3.91Å; Y272-I277 HydrophobicContact CG-CD1 4.36Å; I277-V320 HydrophobicContact CD1-CG2 3.41Å; I277-V320 VanDerWaalsContact CD1-CG2 3.41Å; I277-V320 HydrophobicContact CG1-CG2 4.11Å; I277-Y321 PolarHBondContact N-O 2.86Å; I277-K323 VanDerWaalsContact O-CB 3.32Å; I277-K323 WeakPolarHBondContact O-CB 3.36Å; I277-K323 PolarHBondContact O-N 3.28Å; I277-I328 HydrophobicContact CG2-CG2 4.48Å
278	Q	96.1	Very high	94.4	Very high	18 Å²	18	36.2 Å²	36.2	8%	0.084	19%	0.189	C	C	.	.			trans	-125.9	-16.4	-179.7	-60.1	178.8	77.8	0	0	112.9	S88 I276 I301 K323	S88-Q278 PolarHBondContact OG-NE2 3.08Å; S88-Q278 VanDerWaalsContact OG-NE2 3.12Å; I276-Q278 HydrophobicContact CG2-CG 4.41Å; I276-Q278 PolarHBondContact O-N 2.9Å; Q278-I301 HydrophobicContact CG-CG2 4.25Å; Q278-K323 HydrophobicContact CB-CD 4.3Å; Q278-K323 HydrophobicContact CG-CB 4.01Å; Q278-K323 HydrophobicContact CG-CD 3.85Å
279	H	94.2	Very high	94.6	Very high	93 Å²	93	36.1 Å²	36.1	43%	0.431	19%	0.188	S	C	.	.	S	Bend	trans	-144.9	179.2	-168.9	-57.5	-54.8	0	0	0	110.6	C281	H279-C281 VanDerWaalsContact C-N 3.26Å; H279-C281 PolarHBondContact O-N 3.42Å
280	H	92.5	Very high	94.6	Very high	47 Å²	47	36.2 Å²	36.2	22%	0.218	19%	0.189	C	C	.	.	S	Bend	trans	66.6	17.1	172.5	-48.9	-64.1	0	0	0	116.1	Y78 L79 F82 S268	Y78-H280 AromaticContact CE1-CE1 3.96Å; Y78-H280 AromaticContact CE1-ND1 3.8Å; L79-H280 HydrophobicContact CD2-CB 3.61Å; L79-H280 VanDerWaalsContact CD2-CG 3.42Å; L79-H280 PolarHBondContact O-NE2 2.75Å; F82-H280 AromaticContact CD2-CE1 3.21Å; F82-H280 WeakPolarHBondContact CD2-CE1 3.11Å; F82-H280 AromaticContact CD2-NE2 3.39Å; F82-H280 WeakPolarHBondContact CD2-NE2 3.39Å; F82-H280 AromaticContact CE2-CE1 3.56Å; F82-H280 AromaticContact CG-CE1 3.68Å; F82-H280 AromaticContact CG-NE2 3.58Å; S268-H280 WeakPolarHBondContact CB-O 3.25Å; S268-H280 PolarHBondContact OG-O 3.25Å
281	C	92.4	Very high	94.6	Very high	27 Å²	27	36.5 Å²	36.5	18%	0.182	19%	0.19	C	C	.	.			trans	-139.5	149.4	170.8	56.9	0	0	0	0	109	D265 H279 C329	D265-C281 HydrophobicContact CB-CB 4.26Å; D265-C281 VanDerWaalsContact O-CB 3.25Å; D265-C281 WeakPolarHBondContact O-CB 3.4Å; H279-C281 VanDerWaalsContact C-N 3.26Å; H279-C281 PolarHBondContact O-N 3.42Å; C281-C329 HydrophobicContact CB-CB 3.59Å; C281-C329 WeakPolarHBondContact CB-SG 3.38Å; C281-C329 WeakPolarHBondContact SG-CA 3.21Å; C281-C329 WeakPolarHBondContact SG-CB 3.2Å; C281-C329 PolarHBondContact SG-N 2.96Å; C281-C329 CovalentContact SG-SG 2.02Å; C281-C329 PolarHBondContact SG-SG 3.11Å
282	S	87.5	Confident	94.7	Very high	31 Å²	31	36.5 Å²	36.5	22%	0.217	19%	0.19	C	C	.	.			trans	-102.3	161.4	179.2	73.7	0	0	0	0	111.7	D265 Q284 W285 C329	D265-S282 WeakPolarHBondContact CB-O 3.35Å; D265-S282 WeakPolarHBondContact OD2-CB 3.49Å; D265-S282 PolarHBondContact OD2-N 3.08Å; D265-S282 PolarHBondContact OD2-OG 3.29Å; S282-Q284 VanDerWaalsContact C-N 3.34Å; S282-Q284 PolarHBondContact OG-N 2.98Å; S282-W285 PolarHBondContact OG-N 2.8Å; S282-C329 CarbonylContact O-C 2.83Å; S282-C329 VanDerWaalsContact O-CA 3.31Å; S282-C329 WeakPolarHBondContact O-CA 3.15Å
283	S	84.3	Confident	94.7	Very high	57 Å²	57	36.5 Å²	36.5	40%	0.399	19%	0.19	S	C	.	.	S	Bend	trans	-89.4	0.1	164.1	53.4	0	0	0	0	113.3
284	Q	82.1	Confident	94.8	Very high	151 Å²	151	33 Å²	33	71%	0.706	17%	0.172	S	C	*	.	S	Bend	trans	-99.8	-26.6	-172.1	-65.1	-177.6	8.2	0	0	113.4	S282	S282-Q284 VanDerWaalsContact C-N 3.34Å; S282-Q284 PolarHBondContact OG-N 2.98Å
285	W	88	Confident	94.8	Very high	183 Å²	183	32.6 Å²	32.6	69%	0.693	17%	0.167	S	C	*	.			trans	-121.3	41.2	-168.2	-55.1	106.2	0	0	0	112.6	S282 N287	S282-W285 PolarHBondContact OG-N 2.8Å; W285-N287 PolarHBondContact O-N 3.36Å; W285-N287 PolarHBondContact O-ND2 3.19Å
286	S	93.8	Very high	94.9	Very high	21 Å²	21	31.7 Å²	31.7	15%	0.147	16%	0.156	C	C	.	.			trans	-52.9	130.1	178.9	-54	0	0	0	0	112	V264	V264-S286 CarbonylContact O-C 3.59Å; V264-S286 WeakPolarHBondContact O-CA 3.1Å
287	N	96.8	Very high	94.9	Very high	9 Å²	9	33.8 Å²	33.8	5%	0.048	17%	0.169	C	C	.	.			trans	-143.1	-6.4	-168.8	50.1	56.7	0	0	0	113.7	L109 R110 A111 V264 D265 A266 W285	L109-N287 CarbonylContact C-O 3.5Å; L109-N287 VanDerWaalsContact CA-O 3.27Å; L109-N287 WeakPolarHBondContact CA-O 3.45Å; L109-N287 HydrophobicContact CB-CB 4.1Å; L109-N287 WeakPolarHBondContact CD1-OD1 3.28Å; R110-N287 PolarHBondContact N-O 3.23Å; A111-N287 WeakPolarHBondContact CB-O 3.4Å; A111-N287 PolarHBondContact N-O 3.36Å; V264-N287 PolarHBondContact O-N 3.29Å; D265-N287 PolarHBondContact OD1-ND2 3.23Å; A266-N287 PolarHBondContact N-OD1 3.39Å; W285-N287 PolarHBondContact O-N 3.36Å; W285-N287 PolarHBondContact O-ND2 3.19Å
288	H	98.6	Very high	94.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	136	-176.5	-172.9	47.9	0	0	0	111.6	L109 C151 I263 V264 A266 V290 N308 W310	L109-H288 HydrophobicContact CB-CB 4.46Å; L109-H288 HydrophobicContact CD2-CB 3.85Å; C151-H288 WeakPolarHBondContact CB-CE1 3.4Å; C151-H288 VanDerWaalsContact CB-ND1 3.3Å; C151-H288 WeakPolarHBondContact CB-ND1 3.48Å; C151-H288 PolarHBondContact SG-ND1 3.15Å; I263-H288 CarbonylContact C-O 3.58Å; I263-H288 VanDerWaalsContact CA-O 3.28Å; I263-H288 WeakPolarHBondContact CA-O 3.22Å; I263-H288 WeakPolarHBondContact CG2-O 3.06Å; V264-H288 HydrophobicContact CG2-CB 4.17Å; V264-H288 WeakPolarHBondContact CG2-O 3.18Å; V264-H288 PolarHBondContact N-O 2.71Å; V264-H288 PolarHBondContact O-N 3.38Å; A266-H288 HydrophobicContact CB-CB 3.57Å; H288-V290 WeakPolarHBondContact CD2-CG1 3.48Å; H288-N308 PolarHBondContact NE2-OD1 2.9Å; H288-W310 AromaticContact CD2-CZ2 3.64Å; H288-W310 AromaticContact CE1-CE2 3.71Å; H288-W310 AromaticContact CE1-CZ2 3.45Å; H288-W310 VanDerWaalsContact CE1-CZ2 3.45Å; H288-W310 WeakPolarHBondContact CE1-CZ2 3.2Å; H288-W310 AromaticContact CE1-NE1 3.58Å; H288-W310 AromaticContact ND1-CZ2 3.92Å; H288-W310 AromaticContact NE2-CE2 3.7Å; H288-W310 AromaticContact NE2-CH2 3.99Å; H288-W310 AromaticContact NE2-CZ2 3.26Å; H288-W310 VanDerWaalsContact NE2-CZ2 3.26Å; H288-W310 WeakPolarHBondContact NE2-CZ2 3.38Å; H288-W310 AromaticContact NE2-NE1 3.97Å
289	A	98.7	Very high	94.7	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.008	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	132	179.4	0	0	0	0	0	110.6	A111 W152 S155 P194 A262 I263	A111-A289 HydrophobicContact CB-CB 3.77Å; W152-A289 HydrophobicContact CB-CB 4.31Å; S155-A289 WeakPolarHBondContact OG-CB 3.25Å; P194-A289 HydrophobicContact CG-CB 3.81Å; A262-A289 CarbonylContact O-C 3.51Å; A262-A289 VanDerWaalsContact O-CA 3.3Å; A262-A289 WeakPolarHBondContact O-CA 3.46Å; I263-A289 HydrophobicContact CG1-CB 4.45Å
290	V	98.8	Very high	94.6	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.018	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	167.6	-170.8	-63.9	0	0	0	0	110.5	S155 A261 A262 V264 W269 H288 V306	S155-V290 WeakPolarHBondContact CB-O 3.49Å; A261-V290 WeakPolarHBondContact CA-O 3.27Å; A262-V290 HydrophobicContact CB-CG2 4.33Å; A262-V290 PolarHBondContact N-O 3.25Å; A262-V290 PolarHBondContact O-N 3.06Å; V264-V290 HydrophobicContact CG1-CG2 4.15Å; V264-V290 HydrophobicContact CG2-CG1 4.05Å; V264-V290 HydrophobicContact CG2-CG2 4.07Å; W269-V290 HydrophobicContact CZ3-CG1 3.96Å; H288-V290 WeakPolarHBondContact CD2-CG1 3.48Å; V290-V306 HydrophobicContact CB-CG1 3.48Å; V290-V306 VanDerWaalsContact CB-CG1 3.48Å; V290-V306 HydrophobicContact CG1-CG1 4.14Å; V290-V306 HydrophobicContact CG2-CG1 3.5Å; V290-V306 VanDerWaalsContact CG2-CG1 3.5Å
291	L	98.9	Very high	94.8	Very high	6 Å²	6	40.8 Å²	40.8	3%	0.031	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	114.6	177	-171.7	73.5	0	0	0	110.2	A159 P259 V293 V306 Q307	A159-L291 HydrophobicContact CB-CD1 3.77Å; P259-L291 HydrophobicContact CB-CD1 3.73Å; P259-L291 HydrophobicContact CB-CD2 3.92Å; P259-L291 HydrophobicContact CB-CG 3.79Å; L291-V293 HydrophobicContact CB-CG1 4.49Å; L291-V293 HydrophobicContact CD2-CG1 3.77Å; L291-V293 HydrophobicContact CG-CG1 3.87Å; L291-V293 PolarHBondContact O-N 3.26Å; L291-V306 CarbonylContact O-C 3.5Å; L291-V306 WeakPolarHBondContact O-CA 3.31Å; L291-Q307 HydrophobicContact CB-CB 4.26Å; L291-Q307 PolarHBondContact N-O 3.33Å; L291-Q307 PolarHBondContact O-N 3.03Å
292	V	98.9	Very high	95	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	118.8	171.9	-174.7	0	0	0	0	108	M250 L254 P259 L260 A262 W304 V306 I331	M250-V292 HydrophobicContact CE-CB 4.37Å; M250-V292 HydrophobicContact CE-CG1 4.35Å; M250-V292 HydrophobicContact CE-CG2 3.88Å; L254-V292 HydrophobicContact CD1-CG1 4.33Å; L254-V292 WeakPolarHBondContact CD1-O 2.98Å; L254-V292 HydrophobicContact CD2-CG1 4.45Å; P259-V292 CarbonylContact C-O 3.55Å; P259-V292 WeakPolarHBondContact CA-O 3.37Å; P259-V292 WeakPolarHBondContact CB-O 3.32Å; L260-V292 HydrophobicContact CB-CB 4.39Å; L260-V292 PolarHBondContact N-O 3.37Å; L260-V292 PolarHBondContact O-N 2.76Å; A262-V292 HydrophobicContact CB-CG2 3.95Å; V292-W304 HydrophobicContact CG1-CB 4.49Å; V292-W304 HydrophobicContact CG1-CD2 4.25Å; V292-W304 HydrophobicContact CG1-CE3 3.6Å; V292-W304 HydrophobicContact CG1-CZ3 4.19Å; V292-V306 HydrophobicContact CG2-CG2 4.4Å; V292-I331 HydrophobicContact CG2-CD1 4.16Å; V292-I331 HydrophobicContact CG2-CG1 4.26Å
293	V	98.9	Very high	95.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	-11.1	-173	-61.5	0	0	0	0	113.3	W133 V139 P259 L291 I305 Q307 Y319	W133-V293 WeakPolarHBondContact CB-O 3.28Å; W133-V293 VanDerWaalsContact CD1-O 3.27Å; W133-V293 PolarHBondContact N-O 2.89Å; V139-V293 HydrophobicContact CG1-CG1 3.99Å; V139-V293 HydrophobicContact CG2-CB 4.12Å; V139-V293 HydrophobicContact CG2-CG1 4.01Å; P259-V293 HydrophobicContact CB-CG1 4.17Å; P259-V293 HydrophobicContact CG-CG1 4.35Å; L291-V293 HydrophobicContact CB-CG1 4.49Å; L291-V293 HydrophobicContact CD2-CG1 3.77Å; L291-V293 HydrophobicContact CG-CG1 3.87Å; L291-V293 PolarHBondContact O-N 3.26Å; V293-I305 HydrophobicContact CG2-CB 4.16Å; V293-I305 HydrophobicContact CG2-CG2 3.64Å; V293-I305 WeakPolarHBondContact CG2-O 3.45Å; V293-I305 PolarHBondContact N-O 2.79Å; V293-Q307 HydrophobicContact CG1-CB 4.1Å; V293-Y319 HydrophobicContact CG2-CD1 4.44Å; V293-Y319 HydrophobicContact CG2-CE1 4Å
294	G	98.8	Very high	96.2	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.8	-179.6	-175.8	0	0	0	0	0	112.9	F131 I305	F131-G294 CarbonylContact O-C 3.52Å; F131-G294 WeakPolarHBondContact O-CA 3.46Å; G294-I305 PolarHBondContact N-O 2.86Å; G294-I305 PolarHBondContact O-N 3.09Å
295	Y	98.9	Very high	97	Very high	2 Å²	2	32 Å²	32	1%	0.008	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	161.1	169.7	62	-96	0	0	0	111	P128 K130 F131 M251 L254 V255 T297 Y303 W304	P128-Y295 WeakPolarHBondContact O-CE2 3.41Å; P128-Y295 PolarHBondContact O-OH 2.99Å; K130-Y295 WeakPolarHBondContact CA-O 3.43Å; F131-Y295 HydrophobicContact CB-CD1 4.28Å; F131-Y295 HydrophobicContact CB-CE1 3.73Å; F131-Y295 HydrophobicContact CB-CE2 4.34Å; F131-Y295 PolarHBondContact N-O 3.21Å; F131-Y295 PolarHBondContact O-N 3.35Å; M251-Y295 HydrophobicContact CB-CD1 4.07Å; M251-Y295 HydrophobicContact CB-CE1 3.68Å; M251-Y295 HydrophobicContact CG-CD1 3.83Å; M251-Y295 HydrophobicContact CG-CE1 3.9Å; M251-Y295 HydrophobicContact CG-CG 4.18Å; M251-Y295 HydrophobicContact SD-CD1 4.4Å; M251-Y295 HydrophobicContact SD-CD2 4.07Å; M251-Y295 HydrophobicContact SD-CE1 4.35Å; M251-Y295 HydrophobicContact SD-CE2 4Å; M251-Y295 HydrophobicContact SD-CG 4.28Å; L254-Y295 HydrophobicContact CD2-CD1 3.74Å; L254-Y295 HydrophobicContact CD2-CE1 4.25Å; V255-Y295 HydrophobicContact CG2-CE1 3.94Å; Y295-T297 HydrophobicContact CD2-CG2 4.03Å; Y295-T297 HydrophobicContact CE2-CG2 4.49Å; Y295-Y303 CarbonylContact C-O 3.35Å; Y295-Y303 VanDerWaalsContact CA-O 3.24Å; Y295-Y303 WeakPolarHBondContact CA-O 3.5Å; Y295-W304 HydrophobicContact CD1-CZ3 4.11Å; Y295-W304 HydrophobicContact CG-CZ3 4.45Å
296	D	98.6	Very high	97.6	Very high	8 Å²	8	23.2 Å²	23.2	4%	0.043	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	116.1	171.9	-166.4	-24.2	0	0	0	109.2	K130 T298 P302 Y303	K130-D296 WeakPolarHBondContact CD-OD2 3.16Å; K130-D296 WeakPolarHBondContact CE-OD2 3.36Å; K130-D296 HydrophobicContact CG-CB 4.2Å; K130-D296 IonicContact NZ-OD2 2.78Å; K130-D296 PolarHBondContact NZ-OD2 2.8Å; D296-T298 VanDerWaalsContact OD1-CB 3.3Å; D296-T298 WeakPolarHBondContact OD1-CB 3.49Å; D296-T298 WeakPolarHBondContact OD1-CG2 3.43Å; D296-T298 PolarHBondContact OD1-N 2.8Å; D296-T298 PolarHBondContact OD1-OG1 3.18Å; D296-P302 CarbonylContact O-C 3.56Å; D296-P302 VanDerWaalsContact O-CA 3.32Å; D296-P302 WeakPolarHBondContact O-CA 3.38Å; D296-Y303 HydrophobicContact CB-CD1 4.35Å; D296-Y303 HydrophobicContact CB-CE1 3.72Å; D296-Y303 HydrophobicContact CB-CE2 3.94Å; D296-Y303 VanDerWaalsContact CB-CZ 3.48Å; D296-Y303 PolarHBondContact N-O 3.38Å; D296-Y303 PolarHBondContact O-N 3.11Å; D296-Y303 PolarHBondContact OD2-OH 2.92Å
297	T	97.8	Very high	97.8	Very high	53 Å²	53	23.1 Å²	23.1	33%	0.325	13%	0.13	S	C	.	.			trans	-107.1	11.1	176.7	68.9	0	0	0	0	112.7	A129 M251 Y295 P302 I324	A129-T297 PolarHBondContact O-N 2.86Å; A129-T297 PolarHBondContact O-OG1 3.44Å; M251-T297 HydrophobicContact CE-CG2 3.87Å; M251-T297 HydrophobicContact SD-CG2 4.37Å; Y295-T297 HydrophobicContact CD2-CG2 4.03Å; Y295-T297 HydrophobicContact CE2-CG2 4.49Å; T297-P302 HydrophobicContact CG2-CB 4.15Å; T297-I324 HydrophobicContact CG2-CD1 4.05Å
298	T	97	Very high	97.9	Very high	98 Å²	98	23 Å²	23	60%	0.601	13%	0.129	S	C	*	.	S	Bend	trans	-80.4	-21.3	-175.3	66.2	0	0	0	0	113.6	A129 K130 D296	A129-T298 HydrophobicContact CB-CG2 3.85Å; K130-T298 HydrophobicContact CB-CG2 4.26Å; D296-T298 VanDerWaalsContact OD1-CB 3.3Å; D296-T298 WeakPolarHBondContact OD1-CB 3.49Å; D296-T298 WeakPolarHBondContact OD1-CG2 3.43Å; D296-T298 PolarHBondContact OD1-N 2.8Å; D296-T298 PolarHBondContact OD1-OG1 3.18Å
299	G	92.9	Very high	97.9	Very high	31 Å²	31	23.3 Å²	23.3	32%	0.32	13%	0.131	S	C	.	.	S	Bend	trans	-92.1	173.9	178.9	0	0	0	0	0	114.1	I301	G299-I301 PolarHBondContact O-N 3.26Å
300	E	92.7	Very high	97.9	Very high	172 Å²	172	23.3 Å²	23.3	80%	0.804	13%	0.131	S	C	*	.	S	Bend	trans	-62.4	-30.7	177	-65.8	-175.3	171.6	0	0	113	P302	E300-P302 WeakPolarHBondContact O-CD 3.37Å
301	I	95.7	Very high	97.9	Very high	3 Å²	3	23.6 Å²	23.6	2%	0.015	13%	0.134	C	C	.	.	S	Bend	trans	-114.1	93.4	175.3	-43.6	177.7	0	0	0	107.6	Q85 Q87 I276 Q278 G299 Y303 K323	Q85-I301 HydrophobicContact CB-CD1 4.3Å; Q85-I301 VanDerWaalsContact OE1-CG1 3.29Å; Q87-I301 HydrophobicContact CB-CD1 3.92Å; I276-I301 HydrophobicContact CB-CG2 4.33Å; I276-I301 HydrophobicContact CD1-CB 3.82Å; I276-I301 HydrophobicContact CD1-CG2 4.09Å; I276-I301 WeakPolarHBondContact CD1-O 3.44Å; I276-I301 HydrophobicContact CG2-CG2 3.77Å; Q278-I301 HydrophobicContact CG-CG2 4.25Å; G299-I301 PolarHBondContact O-N 3.26Å; I301-Y303 WeakPolarHBondContact O-CD1 3.33Å; I301-K323 HydrophobicContact CG2-CB 4.18Å; I301-K323 HydrophobicContact CG2-CD 3.98Å; I301-K323 HydrophobicContact CG2-CG 3.95Å
302	P	97.4	Very high	97.9	Very high	38 Å²	38	27.5 Å²	27.5	25%	0.247	16%	0.158	C	C	.	.			trans	-56.7	139.1	171.6	-28.6	38	0	0	0	111.1	D296 T297 E300 K323 I324	D296-P302 CarbonylContact O-C 3.56Å; D296-P302 VanDerWaalsContact O-CA 3.32Å; D296-P302 WeakPolarHBondContact O-CA 3.38Å; T297-P302 HydrophobicContact CG2-CB 4.15Å; E300-P302 WeakPolarHBondContact O-CD 3.37Å; P302-K323 CarbonylContact O-C 3.52Å; P302-K323 WeakPolarHBondContact O-CA 3.28Å; P302-I324 HydrophobicContact CB-CB 4Å; P302-I324 HydrophobicContact CB-CD1 4.16Å; P302-I324 PolarHBondContact O-N 3.29Å
303	Y	98.7	Very high	97.8	Very high	41 Å²	41	32.6 Å²	32.6	16%	0.161	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	152.4	-178.4	63.8	-91	0	0	0	114.8	I276 Y295 D296 I301 I305 Y321 V322 I324	I276-Y303 HydrophobicContact CD1-CD1 3.43Å; I276-Y303 VanDerWaalsContact CD1-CD1 3.43Å; I276-Y303 HydrophobicContact CD1-CE1 4.05Å; I276-Y303 HydrophobicContact CD1-CG 4.08Å; I276-Y303 HydrophobicContact CG1-CD1 3.99Å; I276-Y303 HydrophobicContact CG1-CG 4.18Å; Y295-Y303 CarbonylContact C-O 3.35Å; Y295-Y303 VanDerWaalsContact CA-O 3.24Å; Y295-Y303 WeakPolarHBondContact CA-O 3.5Å; D296-Y303 HydrophobicContact CB-CD1 4.35Å; D296-Y303 HydrophobicContact CB-CE1 3.72Å; D296-Y303 HydrophobicContact CB-CE2 3.94Å; D296-Y303 VanDerWaalsContact CB-CZ 3.48Å; D296-Y303 PolarHBondContact N-O 3.38Å; D296-Y303 PolarHBondContact O-N 3.11Å; D296-Y303 PolarHBondContact OD2-OH 2.92Å; I301-Y303 WeakPolarHBondContact O-CD1 3.33Å; Y303-I305 HydrophobicContact CD2-CG1 4.19Å; Y303-I305 HydrophobicContact CE2-CD1 4.49Å; Y303-I305 HydrophobicContact CE2-CG1 3.82Å; Y303-Y321 AromaticContact CD2-CD1 3.43Å; Y303-Y321 HydrophobicContact CD2-CD1 3.43Å; Y303-Y321 VanDerWaalsContact CD2-CD1 3.43Å; Y303-Y321 HydrophobicContact CD2-CE1 4.33Å; Y303-Y321 AromaticContact CD2-CG 3.89Å; Y303-Y321 HydrophobicContact CD2-CG 3.89Å; Y303-Y321 AromaticContact CE2-CD1 3.33Å; Y303-Y321 HydrophobicContact CE2-CD1 3.33Å; Y303-Y321 AromaticContact CE2-CE1 3.8Å; Y303-Y321 HydrophobicContact CE2-CE1 3.8Å; Y303-Y321 AromaticContact CE2-CG 4Å; Y303-Y321 HydrophobicContact CE2-CG 4Å; Y303-V322 CarbonylContact C-O 3.53Å; Y303-V322 VanDerWaalsContact CA-O 3.24Å; Y303-V322 WeakPolarHBondContact CA-O 3.48Å; Y303-V322 WeakPolarHBondContact CB-O 3.42Å; Y303-I324 VanDerWaalsContact O-CD1 3.31Å; Y303-I324 WeakPolarHBondContact O-CD1 3.42Å
304	W	98.9	Very high	97.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	140.4	165.7	-64.8	109.3	0	0	0	110.4	E247 M250 M251 L254 V292 Y295 V306 Y321 V322 I324 I331	E247-W304 HydrophobicContact CB-CZ2 4.04Å; E247-W304 HydrophobicContact CG-CZ2 4.37Å; E247-W304 PolarHBondContact OE2-NE1 2.84Å; M250-W304 HydrophobicContact CB-CH2 3.97Å; M250-W304 HydrophobicContact CB-CZ2 4.23Å; M250-W304 HydrophobicContact CE-CH2 4.49Å; M250-W304 HydrophobicContact CE-CZ2 4.47Å; M250-W304 HydrophobicContact CG-CH2 3.88Å; M250-W304 HydrophobicContact CG-CZ2 4.21Å; M250-W304 HydrophobicContact SD-CH2 4.07Å; M250-W304 HydrophobicContact SD-CZ2 3.84Å; M251-W304 HydrophobicContact CB-CH2 4.27Å; M251-W304 HydrophobicContact CE-CH2 4.33Å; M251-W304 HydrophobicContact CE-CZ2 4.45Å; M251-W304 HydrophobicContact CG-CH2 3.38Å; M251-W304 HydrophobicContact CG-CZ2 4.27Å; M251-W304 HydrophobicContact CG-CZ3 3.81Å; L254-W304 HydrophobicContact CD2-CZ3 4.31Å; V292-W304 HydrophobicContact CG1-CB 4.49Å; V292-W304 HydrophobicContact CG1-CD2 4.25Å; V292-W304 HydrophobicContact CG1-CE3 3.6Å; V292-W304 HydrophobicContact CG1-CZ3 4.19Å; Y295-W304 HydrophobicContact CD1-CZ3 4.11Å; Y295-W304 HydrophobicContact CG-CZ3 4.45Å; W304-V306 HydrophobicContact CB-CG2 4.02Å; W304-Y321 WeakPolarHBondContact O-CA 3.46Å; W304-V322 PolarHBondContact N-O 3.23Å; W304-V322 PolarHBondContact O-N 3.44Å; W304-I324 HydrophobicContact CD2-CD1 4.32Å; W304-I324 HydrophobicContact CD2-CG1 3.84Å; W304-I324 HydrophobicContact CG-CG1 3.82Å; W304-I324 HydrophobicContact CZ2-CG1 4.28Å; W304-I331 HydrophobicContact CB-CD1 3.93Å; W304-I331 HydrophobicContact CG-CD1 3.92Å
305	I	98.9	Very high	97.7	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	115.4	170.9	-54.9	173.1	0	0	0	107.4	D132 V293 G294 Y303 Y319 Y321	D132-I305 HydrophobicContact CB-CD1 4.2Å; D132-I305 WeakPolarHBondContact OD2-CD1 3.34Å; V293-I305 HydrophobicContact CG2-CB 4.16Å; V293-I305 HydrophobicContact CG2-CG2 3.64Å; V293-I305 WeakPolarHBondContact CG2-O 3.45Å; V293-I305 PolarHBondContact N-O 2.79Å; G294-I305 PolarHBondContact N-O 2.86Å; G294-I305 PolarHBondContact O-N 3.09Å; Y303-I305 HydrophobicContact CD2-CG1 4.19Å; Y303-I305 HydrophobicContact CE2-CD1 4.49Å; Y303-I305 HydrophobicContact CE2-CG1 3.82Å; I305-Y319 HydrophobicContact CG2-CD1 4.12Å; I305-Y321 HydrophobicContact CB-CE1 4.43Å; I305-Y321 HydrophobicContact CG1-CD1 4.23Å; I305-Y321 HydrophobicContact CG1-CE1 4.1Å; I305-Y321 HydrophobicContact CG2-CE1 4.05Å
306	V	98.9	Very high	97.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	122.5	-171.6	-175.4	0	0	0	0	109.9	V290 L291 V292 W304 Y319 V320 V322 I331	V290-V306 HydrophobicContact CB-CG1 3.48Å; V290-V306 VanDerWaalsContact CB-CG1 3.48Å; V290-V306 HydrophobicContact CG1-CG1 4.14Å; V290-V306 HydrophobicContact CG2-CG1 3.5Å; V290-V306 VanDerWaalsContact CG2-CG1 3.5Å; L291-V306 CarbonylContact O-C 3.5Å; L291-V306 WeakPolarHBondContact O-CA 3.31Å; V292-V306 HydrophobicContact CG2-CG2 4.4Å; W304-V306 HydrophobicContact CB-CG2 4.02Å; V306-Y319 VanDerWaalsContact O-CA 3.28Å; V306-Y319 WeakPolarHBondContact O-CA 3.35Å; V306-Y319 WeakPolarHBondContact O-CD1 3.25Å; V306-V320 HydrophobicContact CB-CG1 3.8Å; V306-V320 WeakPolarHBondContact CB-O 3.46Å; V306-V320 HydrophobicContact CG1-CG1 4.06Å; V306-V320 PolarHBondContact N-O 3.45Å; V306-V320 PolarHBondContact O-N 2.86Å; V306-V322 HydrophobicContact CG2-CG2 4.19Å; V306-I331 HydrophobicContact CG2-CD1 3.79Å
307	Q	98.9	Very high	97.7	Very high	19 Å²	19	42.8 Å²	42.8	9%	0.089	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	127.8	171.8	-169.2	177.4	41.1	0	0	109.8	A140 V142 L291 V293 Y319	A140-Q307 PolarHBondContact O-NE2 3.34Å; V142-Q307 HydrophobicContact CG2-CG 3.95Å; L291-Q307 HydrophobicContact CB-CB 4.26Å; L291-Q307 PolarHBondContact N-O 3.33Å; L291-Q307 PolarHBondContact O-N 3.03Å; V293-Q307 HydrophobicContact CG1-CB 4.1Å; Q307-Y319 HydrophobicContact CB-CD1 4.02Å; Q307-Y319 HydrophobicContact CB-CE1 3.57Å; Q307-Y319 HydrophobicContact CG-CD1 4.41Å; Q307-Y319 HydrophobicContact CG-CE1 3.77Å; Q307-Y319 PolarHBondContact NE2-OH 3.33Å
308	N	98.8	Very high	97.7	Very high	7 Å²	7	40.2 Å²	40.2	4%	0.037	23%	0.228	C	C	.	.			trans	-102.1	172.8	175.7	-158.9	1.9	0	0	0	111.6	H288 W310 W314 G318	H288-N308 PolarHBondContact NE2-OD1 2.9Å; N308-W310 WeakPolarHBondContact ND2-CZ3 3.4Å; N308-W314 HydrophobicContact CB-CE3 3.95Å; N308-W314 HydrophobicContact CB-CH2 4.38Å; N308-W314 HydrophobicContact CB-CZ3 3.58Å; N308-W314 VanDerWaalsContact ND2-CE3 3.33Å; N308-W314 WeakPolarHBondContact ND2-CH2 3.44Å; N308-W314 WeakPolarHBondContact ND2-CZ3 3.23Å; N308-G318 WeakPolarHBondContact CB-O 3.47Å; N308-G318 PolarHBondContact N-O 2.63Å
309	S	98.6	Very high	97.8	Very high	6 Å²	6	36.6 Å²	36.6	4%	0.042	20%	0.203	C	C	.	.	S	Bend	trans	-118.3	30.7	-177.8	51.9	0	0	0	0	113.3	Q143 N144 Q145	Q143-S309 CarbonylContact O-C 3.58Å; Q143-S309 VanDerWaalsContact O-C 3.26Å; Q143-S309 WeakPolarHBondContact O-CA 3.18Å; N144-S309 CarbonylContact C-O 3.56Å; N144-S309 WeakPolarHBondContact CA-O 3.42Å; Q145-S309 WeakPolarHBondContact CG-O 3.43Å; Q145-S309 PolarHBondContact N-O 3.42Å; Q145-S309 PolarHBondContact OE1-OG 3.46Å
310	W	98.8	Very high	98.1	Very high	1 Å²	1	35.1 Å²	35.1	0%	0.004	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-109.9	17.9	-178.4	-60	-18.8	0	0	0	113.9	Q95 F96 F104 L109 Q145 A266 W269 H288 N308 W314	Q95-W310 PolarHBondContact NE2-O 3.45Å; F96-W310 HydrophobicContact CE2-CB 3.97Å; F96-W310 HydrophobicContact CE2-CD2 4.06Å; F96-W310 AromaticContact CE2-CE3 3.87Å; F96-W310 HydrophobicContact CE2-CE3 3.87Å; F96-W310 HydrophobicContact CE2-CG 4.1Å; F96-W310 HydrophobicContact CZ-CB 3.9Å; F96-W310 HydrophobicContact CZ-CD2 4.37Å; F96-W310 HydrophobicContact CZ-CG 4.03Å; F104-W310 AromaticContact CE1-CH2 3.94Å; F104-W310 HydrophobicContact CE1-CH2 3.94Å; F104-W310 HydrophobicContact CE1-CZ2 4.34Å; F104-W310 HydrophobicContact CE1-CZ3 4.36Å; F104-W310 HydrophobicContact CZ-CD2 4.34Å; F104-W310 HydrophobicContact CZ-CE3 4.02Å; F104-W310 AromaticContact CZ-CH2 3.45Å; F104-W310 HydrophobicContact CZ-CH2 3.45Å; F104-W310 VanDerWaalsContact CZ-CH2 3.45Å; F104-W310 AromaticContact CZ-CZ2 3.74Å; F104-W310 HydrophobicContact CZ-CZ2 3.74Å; F104-W310 AromaticContact CZ-CZ3 3.58Å; F104-W310 HydrophobicContact CZ-CZ3 3.58Å; L109-W310 HydrophobicContact CD2-CH2 3.8Å; L109-W310 HydrophobicContact CD2-CZ2 3.37Å; Q145-W310 VanDerWaalsContact OE1-CD1 3.32Å; Q145-W310 VanDerWaalsContact OE1-NE1 3.1Å; A266-W310 HydrophobicContact CB-CH2 4.3Å; W269-W310 HydrophobicContact CB-CH2 4.1Å; W269-W310 HydrophobicContact CB-CZ3 4.05Å; H288-W310 AromaticContact CD2-CZ2 3.64Å; H288-W310 AromaticContact CE1-CE2 3.71Å; H288-W310 AromaticContact CE1-CZ2 3.45Å; H288-W310 VanDerWaalsContact CE1-CZ2 3.45Å; H288-W310 WeakPolarHBondContact CE1-CZ2 3.2Å; H288-W310 AromaticContact CE1-NE1 3.58Å; H288-W310 AromaticContact ND1-CZ2 3.92Å; H288-W310 AromaticContact NE2-CE2 3.7Å; H288-W310 AromaticContact NE2-CH2 3.99Å; H288-W310 AromaticContact NE2-CZ2 3.26Å; H288-W310 VanDerWaalsContact NE2-CZ2 3.26Å; H288-W310 WeakPolarHBondContact NE2-CZ2 3.38Å; H288-W310 AromaticContact NE2-NE1 3.97Å; N308-W310 WeakPolarHBondContact ND2-CZ3 3.4Å; W310-W314 HydrophobicContact CB-CB 4.09Å; W310-W314 HydrophobicContact CB-CG 4.16Å; W310-W314 AromaticContact CE3-CD1 3.83Å; W310-W314 AromaticContact CE3-CD2 3.61Å; W310-W314 HydrophobicContact CE3-CD2 3.61Å; W310-W314 AromaticContact CE3-CE2 3.33Å; W310-W314 HydrophobicContact CE3-CE3 4.26Å; W310-W314 AromaticContact CE3-CG 3.92Å; W310-W314 HydrophobicContact CE3-CG 3.92Å; W310-W314 HydrophobicContact CE3-CH2 4.33Å; W310-W314 AromaticContact CE3-CZ2 3.73Å; W310-W314 HydrophobicContact CE3-CZ2 3.73Å; W310-W314 AromaticContact CE3-NE1 3.46Å; W310-W314 HydrophobicContact CZ3-CD2 4.19Å; W310-W314 AromaticContact CZ3-CE2 3.46Å; W310-W314 VanDerWaalsContact CZ3-CE2 3.46Å; W310-W314 HydrophobicContact CZ3-CH2 4.08Å; W310-W314 AromaticContact CZ3-CZ2 3.4Å; W310-W314 HydrophobicContact CZ3-CZ2 3.4Å; W310-W314 VanDerWaalsContact CZ3-CZ2 3.4Å; W310-W314 AromaticContact CZ3-NE1 3.69Å
311	G	98.5	Very high	98.4	Very high	8 Å²	8	28.5 Å²	28.5	8%	0.082	16%	0.156	C	C	.	.			trans	80.3	163.6	-177.1	0	0	0	0	0	113.8	Q143 T313 W314	Q143-G311 PolarHBondContact O-N 3.39Å; G311-T313 PolarHBondContact O-N 2.93Å; G311-W314 PolarHBondContact O-N 3.35Å
312	T	98.3	Very high	98.5	Very high	88 Å²	88	28.3 Å²	28.3	54%	0.54	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-13.2	-175.2	51.7	0	0	0	0	114.1	V142 W314 Q317	V142-T312 HydrophobicContact CB-CG2 3.87Å; V142-T312 HydrophobicContact CG1-CG2 4.19Å; T312-W314 VanDerWaalsContact C-N 3.29Å; T312-Q317 CarbonylContact O-C 3.54Å; T312-Q317 VanDerWaalsContact O-CA 3.3Å; T312-Q317 WeakPolarHBondContact O-CA 3.34Å
313	T	96.8	Very high	98.5	Very high	107 Å²	107	29.8 Å²	29.8	66%	0.656	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-11.7	176.9	58.4	0	0	0	0	113.1	Q95 G311	Q95-T313 PolarHBondContact NE2-OG1 3.48Å; G311-T313 PolarHBondContact O-N 2.93Å
314	W	98.5	Very high	98.5	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	-93.4	143.7	175.9	-177.9	81.8	0	0	0	111.1	F96 W269 Y272 N308 W310 G311 T312 G318 V320	F96-W314 AromaticContact CD2-CD1 3.86Å; F96-W314 AromaticContact CE2-CD1 3.62Å; F96-W314 HydrophobicContact CE2-CG 4.26Å; W269-W314 HydrophobicContact CB-CZ2 3.98Å; W269-W314 HydrophobicContact CE3-CH2 4.18Å; W269-W314 VanDerWaalsContact O-CZ2 3.23Å; W269-W314 WeakPolarHBondContact O-CZ2 3.33Å; W269-W314 PolarHBondContact O-NE1 2.99Å; Y272-W314 AromaticContact CD1-CH2 3.73Å; Y272-W314 HydrophobicContact CD1-CH2 3.73Å; Y272-W314 AromaticContact CD1-CZ2 3.75Å; Y272-W314 HydrophobicContact CD1-CZ2 3.75Å; Y272-W314 HydrophobicContact CD1-CZ3 4.26Å; Y272-W314 HydrophobicContact CE1-CH2 4.39Å; Y272-W314 HydrophobicContact CG-CH2 4.46Å; Y272-W314 HydrophobicContact CG-CZ2 4.22Å; N308-W314 HydrophobicContact CB-CE3 3.95Å; N308-W314 HydrophobicContact CB-CH2 4.38Å; N308-W314 HydrophobicContact CB-CZ3 3.58Å; N308-W314 VanDerWaalsContact ND2-CE3 3.33Å; N308-W314 WeakPolarHBondContact ND2-CH2 3.44Å; N308-W314 WeakPolarHBondContact ND2-CZ3 3.23Å; W310-W314 HydrophobicContact CB-CB 4.09Å; W310-W314 HydrophobicContact CB-CG 4.16Å; W310-W314 AromaticContact CE3-CD1 3.83Å; W310-W314 AromaticContact CE3-CD2 3.61Å; W310-W314 HydrophobicContact CE3-CD2 3.61Å; W310-W314 AromaticContact CE3-CE2 3.33Å; W310-W314 HydrophobicContact CE3-CE3 4.26Å; W310-W314 AromaticContact CE3-CG 3.92Å; W310-W314 HydrophobicContact CE3-CG 3.92Å; W310-W314 HydrophobicContact CE3-CH2 4.33Å; W310-W314 AromaticContact CE3-CZ2 3.73Å; W310-W314 HydrophobicContact CE3-CZ2 3.73Å; W310-W314 AromaticContact CE3-NE1 3.46Å; W310-W314 HydrophobicContact CZ3-CD2 4.19Å; W310-W314 AromaticContact CZ3-CE2 3.46Å; W310-W314 VanDerWaalsContact CZ3-CE2 3.46Å; W310-W314 HydrophobicContact CZ3-CH2 4.08Å; W310-W314 AromaticContact CZ3-CZ2 3.4Å; W310-W314 HydrophobicContact CZ3-CZ2 3.4Å; W310-W314 VanDerWaalsContact CZ3-CZ2 3.4Å; W310-W314 AromaticContact CZ3-NE1 3.69Å; G311-W314 PolarHBondContact O-N 3.35Å; T312-W314 VanDerWaalsContact C-N 3.29Å; W314-G318 WeakPolarHBondContact O-CA 3.48Å; W314-G318 PolarHBondContact O-N 3.39Å; W314-V320 HydrophobicContact CH2-CB 3.67Å; W314-V320 HydrophobicContact CH2-CG1 4Å; W314-V320 HydrophobicContact CH2-CG2 4.16Å; W314-V320 HydrophobicContact CZ3-CB 3.9Å; W314-V320 HydrophobicContact CZ3-CG1 4.19Å
315	G	98.4	Very high	98.3	Very high	16 Å²	16	30.1 Å²	30.1	17%	0.165	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	-146.3	176	0	0	0	0	0	113.1	L273 Q317	L273-G315 CarbonylContact O-C 3.48Å; G315-Q317 PolarHBondContact O-N 3.33Å
316	D	98.2	Very high	98.1	Very high	64 Å²	64	35.5 Å²	35.5	34%	0.342	21%	0.206	S	C	.	.	B	Isolated β-bridge	trans	-88.9	87.9	175.8	-167.1	-9.5	0	0	0	109.6	G318 Y319 Y321	D316-G318 PolarHBondContact O-N 3.46Å; D316-G318 VanDerWaalsContact O-N 3.12Å; D316-Y319 PolarHBondContact N-O 2.89Å; D316-Y319 WeakPolarHBondContact O-CB 3.36Å; D316-Y319 PolarHBondContact O-N 2.92Å; D316-Y321 HydrophobicContact CB-CE2 3.9Å; D316-Y321 WeakPolarHBondContact OD2-CE2 3.4Å; D316-Y321 PolarHBondContact OD2-OH 3.22Å
317	Q	98.3	Very high	98	Very high	144 Å²	144	35.9 Å²	35.9	67%	0.673	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.4	32	-178.6	-54.9	-176.5	4.2	0	0	113.7	T312 G315	T312-Q317 CarbonylContact O-C 3.54Å; T312-Q317 VanDerWaalsContact O-CA 3.3Å; T312-Q317 WeakPolarHBondContact O-CA 3.34Å; G315-Q317 PolarHBondContact O-N 3.33Å
318	G	98.6	Very high	98	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.5	2.2	-175.8	0	0	0	0	0	115.2	N308 W314 D316	N308-G318 WeakPolarHBondContact CB-O 3.47Å; N308-G318 PolarHBondContact N-O 2.63Å; W314-G318 WeakPolarHBondContact O-CA 3.48Å; W314-G318 PolarHBondContact O-N 3.39Å; D316-G318 PolarHBondContact O-N 3.46Å; D316-G318 VanDerWaalsContact O-N 3.12Å
319	Y	98.9	Very high	97.9	Very high	21 Å²	21	36 Å²	36	8%	0.082	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	158.7	175.4	-65.2	-94.1	0	0	0	111.8	R134 V142 V293 I305 V306 Q307 D316	R134-Y319 VanDerWaalsContact CD-CZ 3.47Å; R134-Y319 WeakPolarHBondContact CD-OH 3.28Å; V142-Y319 HydrophobicContact CG2-CD2 4.22Å; V142-Y319 HydrophobicContact CG2-CE2 3.63Å; V293-Y319 HydrophobicContact CG2-CD1 4.44Å; V293-Y319 HydrophobicContact CG2-CE1 4Å; I305-Y319 HydrophobicContact CG2-CD1 4.12Å; V306-Y319 VanDerWaalsContact O-CA 3.28Å; V306-Y319 WeakPolarHBondContact O-CA 3.35Å; V306-Y319 WeakPolarHBondContact O-CD1 3.25Å; Q307-Y319 HydrophobicContact CB-CD1 4.02Å; Q307-Y319 HydrophobicContact CB-CE1 3.57Å; Q307-Y319 HydrophobicContact CG-CD1 4.41Å; Q307-Y319 HydrophobicContact CG-CE1 3.77Å; Q307-Y319 PolarHBondContact NE2-OH 3.33Å; D316-Y319 PolarHBondContact N-O 2.89Å; D316-Y319 WeakPolarHBondContact O-CB 3.36Å; D316-Y319 PolarHBondContact O-N 2.92Å
320	V	98.8	Very high	97.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	145.5	173.9	56.8	0	0	0	0	109.6	W269 Y272 I277 V306 W314 V322	W269-V320 HydrophobicContact CD2-CG2 4.43Å; W269-V320 HydrophobicContact CE3-CG1 3.88Å; W269-V320 HydrophobicContact CE3-CG2 4.38Å; W269-V320 HydrophobicContact CH2-CG1 3.74Å; W269-V320 HydrophobicContact CH2-CG2 4.5Å; W269-V320 HydrophobicContact CZ3-CB 4.45Å; W269-V320 HydrophobicContact CZ3-CG1 3.35Å; W269-V320 HydrophobicContact CZ3-CG2 4.41Å; Y272-V320 HydrophobicContact CD1-CB 4.25Å; Y272-V320 HydrophobicContact CD1-CG2 4.02Å; Y272-V320 HydrophobicContact CD2-CG2 4.29Å; Y272-V320 HydrophobicContact CE1-CB 3.84Å; Y272-V320 HydrophobicContact CE1-CG2 3.77Å; Y272-V320 HydrophobicContact CE2-CG2 4.04Å; Y272-V320 HydrophobicContact CG-CG2 4.27Å; I277-V320 HydrophobicContact CD1-CG2 3.41Å; I277-V320 VanDerWaalsContact CD1-CG2 3.41Å; I277-V320 HydrophobicContact CG1-CG2 4.11Å; V306-V320 HydrophobicContact CB-CG1 3.8Å; V306-V320 WeakPolarHBondContact CB-O 3.46Å; V306-V320 HydrophobicContact CG1-CG1 4.06Å; V306-V320 PolarHBondContact N-O 3.45Å; V306-V320 PolarHBondContact O-N 2.86Å; W314-V320 HydrophobicContact CH2-CB 3.67Å; W314-V320 HydrophobicContact CH2-CG1 4Å; W314-V320 HydrophobicContact CH2-CG2 4.16Å; W314-V320 HydrophobicContact CZ3-CB 3.9Å; W314-V320 HydrophobicContact CZ3-CG1 4.19Å; V320-V322 HydrophobicContact CG2-CG2 4.47Å
321	Y	98.7	Very high	97.8	Very high	33 Å²	33	35.7 Å²	35.7	13%	0.129	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	123.8	-179.6	-53.3	-68.3	0	0	0	109.4	Y272 I277 Y303 W304 I305 D316	Y272-Y321 WeakPolarHBondContact OH-CD2 3.45Å; I277-Y321 PolarHBondContact N-O 2.86Å; Y303-Y321 AromaticContact CD2-CD1 3.43Å; Y303-Y321 HydrophobicContact CD2-CD1 3.43Å; Y303-Y321 VanDerWaalsContact CD2-CD1 3.43Å; Y303-Y321 HydrophobicContact CD2-CE1 4.33Å; Y303-Y321 AromaticContact CD2-CG 3.89Å; Y303-Y321 HydrophobicContact CD2-CG 3.89Å; Y303-Y321 AromaticContact CE2-CD1 3.33Å; Y303-Y321 HydrophobicContact CE2-CD1 3.33Å; Y303-Y321 AromaticContact CE2-CE1 3.8Å; Y303-Y321 HydrophobicContact CE2-CE1 3.8Å; Y303-Y321 AromaticContact CE2-CG 4Å; Y303-Y321 HydrophobicContact CE2-CG 4Å; W304-Y321 WeakPolarHBondContact O-CA 3.46Å; I305-Y321 HydrophobicContact CB-CE1 4.43Å; I305-Y321 HydrophobicContact CG1-CD1 4.23Å; I305-Y321 HydrophobicContact CG1-CE1 4.1Å; I305-Y321 HydrophobicContact CG2-CE1 4.05Å; D316-Y321 HydrophobicContact CB-CE2 3.9Å; D316-Y321 WeakPolarHBondContact OD2-CE2 3.4Å; D316-Y321 PolarHBondContact OD2-OH 3.22Å
322	V	98.6	Very high	97.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	126.4	-176.7	-175.6	0	0	0	0	108.1	W269 Y303 W304 V306 V320 I324 I328 I331	W269-V322 HydrophobicContact CH2-CG2 3.78Å; W269-V322 HydrophobicContact CZ2-CG2 3.53Å; Y303-V322 CarbonylContact C-O 3.53Å; Y303-V322 VanDerWaalsContact CA-O 3.24Å; Y303-V322 WeakPolarHBondContact CA-O 3.48Å; Y303-V322 WeakPolarHBondContact CB-O 3.42Å; W304-V322 PolarHBondContact N-O 3.23Å; W304-V322 PolarHBondContact O-N 3.44Å; V306-V322 HydrophobicContact CG2-CG2 4.19Å; V320-V322 HydrophobicContact CG2-CG2 4.47Å; V322-I324 PolarHBondContact O-N 2.93Å; V322-I328 HydrophobicContact CG1-CB 4.02Å; V322-I328 HydrophobicContact CG1-CG2 3.81Å; V322-I331 HydrophobicContact CB-CD1 4.05Å; V322-I331 HydrophobicContact CG1-CD1 4.27Å; V322-I331 HydrophobicContact CG2-CD1 4.27Å
323	K	97.9	Very high	97.7	Very high	69 Å²	69	32.8 Å²	32.8	30%	0.3	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.8	135.1	-179.3	173.6	177.6	175.6	-177	0	111.2	I276 I277 Q278 I301 P302 I328	I276-K323 HydrophobicContact CG2-CB 3.99Å; I277-K323 VanDerWaalsContact O-CB 3.32Å; I277-K323 WeakPolarHBondContact O-CB 3.36Å; I277-K323 PolarHBondContact O-N 3.28Å; Q278-K323 HydrophobicContact CB-CD 4.3Å; Q278-K323 HydrophobicContact CG-CB 4.01Å; Q278-K323 HydrophobicContact CG-CD 3.85Å; I301-K323 HydrophobicContact CG2-CB 4.18Å; I301-K323 HydrophobicContact CG2-CD 3.98Å; I301-K323 HydrophobicContact CG2-CG 3.95Å; P302-K323 CarbonylContact O-C 3.52Å; P302-K323 WeakPolarHBondContact O-CA 3.28Å; K323-I328 HydrophobicContact CB-CG1 4.23Å
324	I	98	Very high	97.7	Very high	23 Å²	23	27.9 Å²	27.9	12%	0.118	16%	0.156	C	C	.	.	S	Bend	trans	-78.1	139.8	169.8	-70.3	157.9	0	0	0	109.4	E247 M251 T297 P302 Y303 W304 V322	E247-I324 HydrophobicContact CB-CG2 4.44Å; E247-I324 WeakPolarHBondContact OE2-CA 3.33Å; M251-I324 HydrophobicContact CE-CD1 3.5Å; M251-I324 HydrophobicContact CE-CG1 4.13Å; M251-I324 HydrophobicContact CE-CG2 3.7Å; T297-I324 HydrophobicContact CG2-CD1 4.05Å; P302-I324 HydrophobicContact CB-CB 4Å; P302-I324 HydrophobicContact CB-CD1 4.16Å; P302-I324 PolarHBondContact O-N 3.29Å; Y303-I324 VanDerWaalsContact O-CD1 3.31Å; Y303-I324 WeakPolarHBondContact O-CD1 3.42Å; W304-I324 HydrophobicContact CD2-CD1 4.32Å; W304-I324 HydrophobicContact CD2-CG1 3.84Å; W304-I324 HydrophobicContact CG-CG1 3.82Å; W304-I324 HydrophobicContact CZ2-CG1 4.28Å; V322-I324 PolarHBondContact O-N 2.93Å
325	G	95.6	Very high	97.7	Very high	25 Å²	25	28 Å²	28	26%	0.258	16%	0.157	S	C	.	.	S	Bend	trans	98.7	149.9	179	0	0	0	0	0	111.9	E247 N327 I328	E247-G325 WeakPolarHBondContact OE1-CA 3.49Å; E247-G325 PolarHBondContact OE1-N 3.34Å; E247-G325 VanDerWaalsContact OE1-N 3.08Å; E247-G325 PolarHBondContact OE2-N 2.9Å; G325-N327 PolarHBondContact O-N 3.04Å; G325-N327 VanDerWaalsContact O-N 3.15Å; G325-I328 WeakPolarHBondContact O-CG1 3.47Å
326	S	94.6	Very high	97.7	Very high	114 Å²	114	27.4 Å²	27.4	80%	0.797	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.9	14.6	-175.5	-54.4	0	0	0	0	114.9	E247 I328	E247-S326 PolarHBondContact OE1-N 2.77Å; S326-I328 VanDerWaalsContact C-N 3.34Å; S326-I328 PolarHBondContact O-N 3.42Å
327	N	96.9	Very high	97.7	Very high	9 Å²	9	24.4 Å²	24.4	5%	0.048	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	52	50.6	177.5	-176.3	33.9	0	0	0	112.5	S244 E247 G325 C329 G330 I331 A332 D333	S244-N327 PolarHBondContact OG-ND2 3Å; S244-N327 VanDerWaalsContact OG-ND2 3.15Å; E247-N327 WeakPolarHBondContact OE1-CA 3.49Å; E247-N327 PolarHBondContact OE1-N 2.93Å; G325-N327 PolarHBondContact O-N 3.04Å; G325-N327 VanDerWaalsContact O-N 3.15Å; N327-C329 PolarHBondContact O-N 3.27Å; N327-G330 PolarHBondContact O-N 2.95Å; N327-G330 VanDerWaalsContact OD1-CA 3.28Å; N327-G330 WeakPolarHBondContact OD1-CA 3.24Å; N327-I331 PolarHBondContact OD1-N 3.31Å; N327-A332 WeakPolarHBondContact OD1-CA 3.27Å; N327-A332 VanDerWaalsContact OD1-CB 3.3Å; N327-A332 WeakPolarHBondContact OD1-CB 3.47Å; N327-A332 PolarHBondContact OD1-N 2.89Å; N327-D333 PolarHBondContact ND2-OD1 2.72Å; N327-D333 PolarHBondContact ND2-OD2 2.65Å
328	I	97.5	Very high	97.7	Very high	28 Å²	28	17.6 Å²	17.6	14%	0.144	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-56.6	133.5	-179.8	-61.9	-55.2	0	0	0	110.1	I277 V322 K323 G325 S326 G330 I331	I277-I328 HydrophobicContact CG2-CG2 4.48Å; V322-I328 HydrophobicContact CG1-CB 4.02Å; V322-I328 HydrophobicContact CG1-CG2 3.81Å; K323-I328 HydrophobicContact CB-CG1 4.23Å; G325-I328 WeakPolarHBondContact O-CG1 3.47Å; S326-I328 VanDerWaalsContact C-N 3.34Å; S326-I328 PolarHBondContact O-N 3.42Å; I328-G330 PolarHBondContact O-N 3Å; I328-G330 VanDerWaalsContact O-N 3.08Å; I328-I331 WeakPolarHBondContact O-CG2 3.44Å; I328-I331 PolarHBondContact O-N 3.41Å
329	C	97.6	Very high	97.6	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.007	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	58.1	12.7	-175	-46.4	0	0	0	0	115.4	V264 D265 W269 C281 S282 N327 I331	V264-C329 CarbonylContact C-O 3.52Å; V264-C329 WeakPolarHBondContact CA-O 3.31Å; V264-C329 HydrophobicContact CB-CB 4.17Å; V264-C329 HydrophobicContact CG1-CB 4.43Å; D265-C329 PolarHBondContact N-O 3.06Å; W269-C329 HydrophobicContact CZ2-CB 4.41Å; C281-C329 HydrophobicContact CB-CB 3.59Å; C281-C329 WeakPolarHBondContact CB-SG 3.38Å; C281-C329 WeakPolarHBondContact SG-CA 3.21Å; C281-C329 WeakPolarHBondContact SG-CB 3.2Å; C281-C329 PolarHBondContact SG-N 2.96Å; C281-C329 CovalentContact SG-SG 2.02Å; C281-C329 PolarHBondContact SG-SG 3.11Å; S282-C329 CarbonylContact O-C 2.83Å; S282-C329 VanDerWaalsContact O-CA 3.31Å; S282-C329 WeakPolarHBondContact O-CA 3.15Å; N327-C329 PolarHBondContact O-N 3.27Å; C329-I331 VanDerWaalsContact C-N 3.27Å; C329-I331 PolarHBondContact O-N 2.86Å
330	G	97.3	Very high	97.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	72.1	17.9	-175.9	0	0	0	0	0	114.4	N327 I328 A332 D333	N327-G330 PolarHBondContact O-N 2.95Å; N327-G330 VanDerWaalsContact OD1-CA 3.28Å; N327-G330 WeakPolarHBondContact OD1-CA 3.24Å; I328-G330 PolarHBondContact O-N 3Å; I328-G330 VanDerWaalsContact O-N 3.08Å; G330-A332 PolarHBondContact O-N 2.82Å; G330-D333 WeakPolarHBondContact CA-OD2 3.41Å; G330-D333 WeakPolarHBondContact O-CB 3.42Å; G330-D333 PolarHBondContact O-N 3.49Å
331	I	98.3	Very high	97.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-24.5	-174.2	-165.1	166.1	0	0	0	114	A262 V264 V292 W304 V306 V322 N327 I328 C329 V335	A262-I331 HydrophobicContact CB-CG1 4.45Å; V264-I331 HydrophobicContact CG1-CB 3.8Å; V264-I331 HydrophobicContact CG1-CD1 4.46Å; V264-I331 HydrophobicContact CG1-CG1 3.86Å; V292-I331 HydrophobicContact CG2-CD1 4.16Å; V292-I331 HydrophobicContact CG2-CG1 4.26Å; W304-I331 HydrophobicContact CB-CD1 3.93Å; W304-I331 HydrophobicContact CG-CD1 3.92Å; V306-I331 HydrophobicContact CG2-CD1 3.79Å; V322-I331 HydrophobicContact CB-CD1 4.05Å; V322-I331 HydrophobicContact CG1-CD1 4.27Å; V322-I331 HydrophobicContact CG2-CD1 4.27Å; N327-I331 PolarHBondContact OD1-N 3.31Å; I328-I331 WeakPolarHBondContact O-CG2 3.44Å; I328-I331 PolarHBondContact O-N 3.41Å; C329-I331 VanDerWaalsContact C-N 3.27Å; C329-I331 PolarHBondContact O-N 2.86Å; I331-V335 WeakPolarHBondContact O-CG2 3.5Å
332	A	97.7	Very high	97.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-0.2	-179.7	0	0	0	0	0	113.3	S242 F243 S244 E247 M250 N327 G330	S242-A332 CarbonylContact C-O 3.11Å; S242-A332 WeakPolarHBondContact CA-O 3.33Å; F243-A332 HydrophobicContact CB-CB 4.04Å; F243-A332 PolarHBondContact N-O 2.78Å; S244-A332 PolarHBondContact N-O 2.75Å; E247-A332 HydrophobicContact CG-CB 3.93Å; M250-A332 HydrophobicContact SD-CB 4.2Å; N327-A332 WeakPolarHBondContact OD1-CA 3.27Å; N327-A332 VanDerWaalsContact OD1-CB 3.3Å; N327-A332 WeakPolarHBondContact OD1-CB 3.47Å; N327-A332 PolarHBondContact OD1-N 2.89Å; G330-A332 PolarHBondContact O-N 2.82Å
333	D	96.9	Very high	97.1	Very high	34 Å²	34	23.4 Å²	23.4	18%	0.182	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-35.4	-172.1	-71.3	-40.1	0	0	0	114.3	S242 S244 N327 G330	S242-D333 WeakPolarHBondContact CA-O 3.36Å; S242-D333 WeakPolarHBondContact CB-O 3.1Å; S242-D333 PolarHBondContact OG-O 2.76Å; S244-D333 WeakPolarHBondContact CB-OD1 3.32Å; S244-D333 PolarHBondContact OG-OD1 2.79Å; S244-D333 VanDerWaalsContact OG-OD1 3.13Å; N327-D333 PolarHBondContact ND2-OD1 2.72Å; N327-D333 PolarHBondContact ND2-OD2 2.65Å; G330-D333 WeakPolarHBondContact CA-OD2 3.41Å; G330-D333 WeakPolarHBondContact O-CB 3.42Å; G330-D333 PolarHBondContact O-N 3.49Å
334	S	97	Very high	97.1	Very high	5 Å²	5	20.8 Å²	20.8	4%	0.035	13%	0.127	C	C	.	.	S	Bend	trans	-140.3	95.3	-178.8	-159	0	0	0	0	109.2	S114 A262 I263	S114-S334 PolarHBondContact O-OG 2.88Å; S114-S334 VanDerWaalsContact O-OG 3.14Å; A262-S334 WeakPolarHBondContact CA-O 3.45Å; I263-S334 PolarHBondContact N-O 2.92Å
335	V	98.3	Very high	97	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.012	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	126.2	-171.4	-176.3	0	0	0	0	109.8	L240 H241 F243 M250 L260 A261 A262 I331	L240-V335 WeakPolarHBondContact CA-O 3.37Å; H241-V335 PolarHBondContact N-O 2.81Å; H241-V335 PolarHBondContact O-N 2.75Å; F243-V335 HydrophobicContact CD2-CB 3.81Å; F243-V335 HydrophobicContact CD2-CG1 4.24Å; F243-V335 HydrophobicContact CD2-CG2 3.98Å; F243-V335 HydrophobicContact CE2-CB 3.9Å; F243-V335 HydrophobicContact CE2-CG1 4.1Å; M250-V335 HydrophobicContact CE-CG1 3.93Å; M250-V335 HydrophobicContact CE-CG2 3.86Å; M250-V335 HydrophobicContact CG-CG1 4.41Å; M250-V335 HydrophobicContact SD-CG1 4.46Å; M250-V335 HydrophobicContact SD-CG2 3.96Å; L260-V335 HydrophobicContact CB-CG1 3.71Å; L260-V335 HydrophobicContact CD1-CG1 3.74Å; L260-V335 HydrophobicContact CG-CG1 4.2Å; A261-V335 CarbonylContact O-C 3.27Å; A261-V335 WeakPolarHBondContact O-CA 3.29Å; A262-V335 HydrophobicContact CB-CG2 4.38Å; I331-V335 WeakPolarHBondContact O-CG2 3.5Å
336	A	98.4	Very high	97.1	Very high	3 Å²	3	20.3 Å²	20.3	3%	0.025	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	132.9	-179.7	0	0	0	0	0	112.5	L198 S239 L240 L260 A261	L198-A336 HydrophobicContact CD1-CB 3.74Å; S239-A336 WeakPolarHBondContact O-CA 3.45Å; S239-A336 WeakPolarHBondContact O-CB 3.2Å; L240-A336 HydrophobicContact CD1-CB 4.21Å; L260-A336 WeakPolarHBondContact CA-O 3.41Å; A261-A336 HydrophobicContact CB-CB 4.48Å; A261-A336 PolarHBondContact N-O 2.88Å; A261-A336 PolarHBondContact O-N 2.81Å
337	A	98.3	Very high	97.3	Very high	2 Å²	2	13.6 Å²	13.6	2%	0.017	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	142.3	167.6	0	0	0	0	0	109.9	F238 S239 F257 L260 F339	F238-A337 CarbonylContact C-O 3.39Å; F238-A337 WeakPolarHBondContact CA-O 3.24Å; F238-A337 VanDerWaalsContact CB-O 3.28Å; F238-A337 WeakPolarHBondContact CB-O 3.26Å; S239-A337 PolarHBondContact N-O 3.25Å; S239-A337 PolarHBondContact O-N 2.8Å; S239-A337 WeakPolarHBondContact OG-CB 3.48Å; F257-A337 HydrophobicContact CB-CB 4.17Å; L260-A337 HydrophobicContact CD2-CB 3.62Å; A337-F339 HydrophobicContact CB-CE1 4.42Å; A337-F339 HydrophobicContact CB-CZ 4.23Å
338	V	98	Very high	97.3	Very high	1 Å²	1	14 Å²	14	1%	0.006	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	141.5	-175	-179.6	0	0	0	0	110.8	A159 I160 V163 L198 V235 L340	A159-V338 HydrophobicContact CB-CB 4.48Å; A159-V338 HydrophobicContact CB-CG2 3.67Å; I160-V338 HydrophobicContact CG1-CG1 3.86Å; I160-V338 HydrophobicContact CG1-CG2 4.43Å; V163-V338 HydrophobicContact CG2-CB 4.32Å; L198-V338 HydrophobicContact CD1-CG2 4.19Å; L198-V338 HydrophobicContact CD2-CG1 4.4Å; L198-V338 HydrophobicContact CD2-CG2 3.63Å; V235-V338 HydrophobicContact CG1-CG1 4.14Å; V235-V338 HydrophobicContact CG2-CG1 4.28Å; V338-L340 HydrophobicContact CG1-CD2 3.9Å
339	F	96.8	Very high	97.3	Very high	58 Å²	58	12.8 Å²	12.8	25%	0.254	7%	0.066	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	123.2	175.8	-47.3	-61.3	0	0	0	110.4	R236 N237 F257 A337	R236-F339 PolarHBondContact N-O 2.86Å; N237-F339 HydrophobicContact CB-CB 4.2Å; N237-F339 HydrophobicContact CB-CD2 3.99Å; N237-F339 PolarHBondContact N-O 2.91Å; N237-F339 WeakPolarHBondContact O-CA 3.42Å; N237-F339 WeakPolarHBondContact O-CB 3.14Å; N237-F339 PolarHBondContact O-N 3.31Å; F257-F339 HydrophobicContact CB-CE1 4.11Å; F257-F339 HydrophobicContact CD1-CD1 4.25Å; F257-F339 AromaticContact CD1-CE1 3.52Å; F257-F339 HydrophobicContact CD1-CE1 3.52Å; F257-F339 HydrophobicContact CD1-CZ 4.48Å; F257-F339 HydrophobicContact CD2-CE1 4.33Å; F257-F339 AromaticContact CE1-CE1 3.92Å; F257-F339 HydrophobicContact CE1-CE1 3.92Å; F257-F339 AromaticContact CG-CE1 3.74Å; F257-F339 HydrophobicContact CG-CE1 3.74Å; F257-F339 HydrophobicContact CG-CZ 4.48Å; F257-F339 HydrophobicContact CZ-CE1 4.48Å; A337-F339 HydrophobicContact CB-CE1 4.42Å; A337-F339 HydrophobicContact CB-CZ 4.23Å
340	L	93.6	Very high	97.3	Very high	48 Å²	48	13.9 Å²	13.9	25%	0.251	7%	0.071	S	C	.	.			trans	-99.2	0	-176.5	-57.5	-176.4	0	0	0	114.5	I160 V163 H164 V233 V235 R236 V338	I160-L340 HydrophobicContact CG2-CD2 4.15Å; V163-L340 HydrophobicContact CB-CD1 4.1Å; V163-L340 HydrophobicContact CB-CG 4.23Å; V163-L340 HydrophobicContact CG1-CB 4.41Å; V163-L340 HydrophobicContact CG1-CD1 3.93Å; V163-L340 HydrophobicContact CG1-CG 3.74Å; H164-L340 VanDerWaalsContact CA-CD1 3.4Å; H164-L340 HydrophobicContact CB-CD1 3.55Å; H164-L340 VanDerWaalsContact N-CD1 3.3Å; V233-L340 HydrophobicContact CG1-CD1 3.71Å; V233-L340 HydrophobicContact CG1-CD2 3.86Å; V233-L340 HydrophobicContact CG1-CG 4.36Å; V235-L340 HydrophobicContact CB-CD2 4.44Å; V235-L340 HydrophobicContact CG2-CD2 3.96Å; R236-L340 WeakPolarHBondContact CD-O 3.3Å; R236-L340 WeakPolarHBondContact CD-OXT 3.16Å; R236-L340 WeakPolarHBondContact CG-OXT 3.41Å; R236-L340 VanDerWaalsContact NE-C 3.34Å; R236-L340 PolarHBondContact NE-O 2.86Å; R236-L340 PolarHBondContact NE-OXT 3.45Å; V338-L340 HydrophobicContact CG1-CD2 3.9Å

Retrieved 340 of 340 residues in 82.8 ms (Link to these results)

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