A0A087Y1J9_POEFO Loading...

LIM and cysteine-rich domains 1

AlphaFold DB , UniProt , Accession A0A087Y1J9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 356 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.6	Very low	31.3	Very low	251 Å²	251	150.4 Å²	150.4	100%	1.236	88%	0.88	S	S	*	*				0	103.4	0	-72.3	-177.8	179	0	0	105.5
2	D	23.3	Very low	32	Very low	162 Å²	162	152.8 Å²	152.8	87%	0.866	89%	0.885	S	S	*	*			trans	-138.3	120.8	179.4	-144	-25.1	0	0	0	107.8	S4	D2-S4 PolarHBondContact O-N 2.9Å
3	A	30.6	Very low	32.1	Very low	109 Å²	109	158.6 Å²	158.6	90%	0.901	88%	0.883	S	S	*	*			trans	-104.1	65.2	-164.9	0	0	0	0	0	110.3
4	S	30.6	Very low	32.7	Very low	114 Å²	114	151.6 Å²	151.6	80%	0.797	87%	0.865	S	S	*	*			trans	-131.2	47.2	177.2	-172.5	0	0	0	0	112.3	D2	D2-S4 PolarHBondContact O-N 2.9Å
5	A	29.7	Very low	33.9	Very low	105 Å²	105	146.1 Å²	146.1	87%	0.868	85%	0.845	S	S	*	*			trans	-143	47.8	178.8	0	0	0	0	0	112.9
6	A	29.9	Very low	35.7	Very low	98 Å²	98	138.1 Å²	138.1	81%	0.81	80%	0.804	S	S	*	*			trans	-139.8	32.2	175.1	0	0	0	0	0	114
7	V	38	Very low	38.1	Very low	141 Å²	141	134.1 Å²	134.1	86%	0.855	79%	0.79	S	S	*	*			trans	-128.7	64.4	166.3	-171.4	0	0	0	0	108.7
8	E	34.9	Very low	40.7	Very low	185 Å²	185	126.7 Å²	126.7	86%	0.864	75%	0.747	S	S	*	*			trans	-159.1	96.3	165	-131.1	173.3	157.5	0	0	111.8
9	K	30.1	Very low	43	Very low	207 Å²	207	123.4 Å²	123.4	90%	0.9	73%	0.725	S	S	*	*			trans	165	69.2	140.6	-91.9	171.7	178.7	175.9	0	110
10	M	32.5	Very low	45.1	Very low	191 Å²	191	121.4 Å²	121.4	94%	0.941	71%	0.714	S	S	*	*			trans	-90.8	118.7	145.7	-81.3	-175.4	176	0	0	107.1	L12	M10-L12 PolarHBondContact O-N 3.1Å
11	S	29.3	Very low	47	Very low	91 Å²	91	117.1 Å²	117.1	64%	0.636	69%	0.69	S	S	*	*			trans	-54.7	112.5	-175.4	176.2	0	0	0	0	111.6	R13	S11-R13 VanDerWaalsContact C-N 3.28Å; S11-R13 PolarHBondContact O-N 3Å
12	L	39.4	Very low	48.8	Very low	180 Å²	180	110.5 Å²	110.5	94%	0.942	66%	0.66	S	S	*	*			trans	-58.3	88.9	158.3	-77.4	154.6	0	0	0	109.2	M10	M10-L12 PolarHBondContact O-N 3.1Å
13	R	34	Very low	51.2	Low	228 Å²	228	108.3 Å²	108.3	86%	0.86	66%	0.657	S	S	*	*			trans	-128.7	101.3	161.2	-78.4	-175.8	-167.5	-113.1	1.8	107.9	S11	S11-R13 VanDerWaalsContact C-N 3.28Å; S11-R13 PolarHBondContact O-N 3Å
14	G	39.8	Very low	53.5	Low	61 Å²	61	108.4 Å²	108.4	63%	0.629	65%	0.651	S	S	*	*			trans	68.6	74.5	161.5	0	0	0	0	0	116.2	G16	G14-G16 PolarHBondContact O-N 2.68Å
15	A	51.1	Low	56.1	Low	69 Å²	69	103.4 Å²	103.4	57%	0.57	62%	0.616	S	S	*	*			trans	-62.8	105.4	160.3	0	0	0	0	0	108.1	F28	A15-F28 HydrophobicContact CB-CB 4.49Å
16	G	61.9	Low	58.6	Low	18 Å²	18	103.6 Å²	103.6	19%	0.186	61%	0.611	C	S	.	*	P	Polyproline II helix	trans	-58.3	146.8	-179.8	0	0	0	0	0	111.9	G14	G14-G16 PolarHBondContact O-N 2.68Å
17	A	77	Confident	61.2	Low	69 Å²	69	99.3 Å²	99.3	57%	0.57	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-59.1	142.5	170.3	0	0	0	0	0	109.8	L19	A17-L19 PolarHBondContact O-N 2.89Å
18	C	85.4	Confident	63.5	Low	1 Å²	1	95.4 Å²	95.4	1%	0.007	55%	0.548	C	S	.	.	B	Isolated β-bridge	trans	-66.1	123.1	178.4	-170.6	0	0	0	0	109.7	V20 C21 N22 C25 D46 H47	C18-V20 PolarHBondContact O-N 3.47Å; C18-C21 HydrophobicContact CB-CB 3.82Å; C18-C21 PolarHBondContact SG-N 3.16Å; C18-C21 VanDerWaalsContact SG-N 3.37Å; C18-N22 VanDerWaalsContact O-CA 3.28Å; C18-N22 WeakPolarHBondContact O-CA 3.23Å; C18-N22 PolarHBondContact O-N 3.41Å; C18-C25 HydrophobicContact CB-CB 3.77Å; C18-D46 CarbonylContact C-O 3.43Å; C18-D46 WeakPolarHBondContact CA-O 3.47Å; C18-H47 VanDerWaalsContact CB-CE1 3.42Å; C18-H47 WeakPolarHBondContact CB-CE1 3.42Å; C18-H47 PolarHBondContact SG-NE2 3.28Å; C18-H47 VanDerWaalsContact SG-NE2 3.43Å
19	L	83.1	Confident	66	Low	65 Å²	65	90.8 Å²	90.8	34%	0.34	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-11.6	-179.2	-58.8	178.7	0	0	0	113.1	A17 D46 L142 R146	A17-L19 PolarHBondContact O-N 2.89Å; L19-D46 PolarHBondContact N-O 2.85Å; L19-L142 HydrophobicContact CD1-CD1 3.97Å; L19-L142 HydrophobicContact CD1-CD2 3.89Å; L19-L142 HydrophobicContact CD1-CG 4.05Å; L19-L142 HydrophobicContact CD2-CD2 3.88Å; L19-R146 HydrophobicContact CD1-CG 4.17Å
20	V	86.1	Confident	68.7	Low	82 Å²	82	85.4 Å²	85.4	50%	0.497	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	-48	175.8	179.3	0	0	0	0	110.5	C18 D46	C18-V20 PolarHBondContact O-N 3.47Å; V20-D46 HydrophobicContact CG2-CB 3.97Å; V20-D46 WeakPolarHBondContact CG2-OD1 3.47Å
21	C	83.7	Confident	71.4	Confident	32 Å²	32	78.5 Å²	78.5	22%	0.216	48%	0.478	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-4.5	-175.6	-59.8	0	0	0	0	114.3	C18 S23 S24 C25 C42	C18-C21 HydrophobicContact CB-CB 3.82Å; C18-C21 PolarHBondContact SG-N 3.16Å; C18-C21 VanDerWaalsContact SG-N 3.37Å; C21-S23 PolarHBondContact O-N 3Å; C21-S24 WeakPolarHBondContact O-CB 3.42Å; C21-S24 PolarHBondContact O-N 3.49Å; C21-S24 PolarHBondContact O-OG 2.81Å; C21-C25 HydrophobicContact CB-CB 3.93Å; C21-C42 PolarHBondContact SG-SG 2.99Å
22	N	74.3	Confident	74.2	Confident	113 Å²	113	78.3 Å²	78.3	60%	0.604	48%	0.477	S	S	*	.	B	Isolated β-bridge	trans	48.1	-110.7	-174.4	-65.8	-32.8	0	0	0	111.3	C18	C18-N22 VanDerWaalsContact O-CA 3.28Å; C18-N22 WeakPolarHBondContact O-CA 3.23Å; C18-N22 PolarHBondContact O-N 3.41Å
23	S	73.6	Confident	76.6	Confident	116 Å²	116	72.3 Å²	72.3	81%	0.811	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-7.2	-179.1	50.7	0	0	0	0	114.9	C21 C25	C21-S23 PolarHBondContact O-N 3Å; S23-C25 VanDerWaalsContact C-N 3.26Å; S23-C25 PolarHBondContact O-N 3.37Å
24	S	79	Confident	79.3	Confident	111 Å²	111	62 Å²	62	78%	0.776	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-11.5	-177	-51.6	0	0	0	0	113.1	C21	C21-S24 WeakPolarHBondContact O-CB 3.42Å; C21-S24 PolarHBondContact O-N 3.49Å; C21-S24 PolarHBondContact O-OG 2.81Å
25	C	84.7	Confident	81.8	Confident	9 Å²	9	60.6 Å²	60.6	6%	0.061	38%	0.379	C	S	.	.	S	Bend	trans	-112.5	125.4	174.7	-172.8	0	0	0	0	109.8	C18 C21 S23 G27 C40 H47	C18-C25 HydrophobicContact CB-CB 3.77Å; C21-C25 HydrophobicContact CB-CB 3.93Å; S23-C25 VanDerWaalsContact C-N 3.26Å; S23-C25 PolarHBondContact O-N 3.37Å; C25-G27 PolarHBondContact O-N 3Å; C25-G27 PolarHBondContact SG-O 3.24Å; C25-C40 HydrophobicContact CB-CB 4.11Å; C25-H47 PolarHBondContact SG-CE1 3.31Å
26	S	83.8	Confident	83.6	Confident	108 Å²	108	57.8 Å²	57.8	76%	0.755	36%	0.356	S	S	*	.			trans	-74.8	20.2	-177.7	59.2	0	0	0	0	114.4
27	G	83.4	Confident	84.9	Confident	8 Å²	8	56.9 Å²	56.9	8%	0.082	35%	0.347	C	S	.	.	S	Bend	trans	106.1	164	-173.6	0	0	0	0	0	113.3	C25 Q29	C25-G27 PolarHBondContact O-N 3Å; C25-G27 PolarHBondContact SG-O 3.24Å; G27-Q29 PolarHBondContact O-N 3.42Å
28	F	86.4	Confident	85.5	Confident	59 Å²	59	57.1 Å²	57.1	26%	0.259	34%	0.341	S	S	.	.			trans	-64.3	122.4	-177.5	-172.7	-123.3	0	0	0	112.3	A15 P30 C37 T44 H47	A15-F28 HydrophobicContact CB-CB 4.49Å; F28-P30 HydrophobicContact CE1-CB 3.79Å; F28-P30 HydrophobicContact CE1-CG 4.5Å; F28-P30 HydrophobicContact CZ-CB 4.04Å; F28-C37 HydrophobicContact CD2-CB 3.77Å; F28-C37 HydrophobicContact CE2-CB 3.94Å; F28-T44 HydrophobicContact CE1-CG2 4.31Å; F28-T44 HydrophobicContact CE2-CG2 3.93Å; F28-T44 HydrophobicContact CZ-CG2 3.44Å; F28-T44 VanDerWaalsContact CZ-CG2 3.44Å; F28-H47 WeakPolarHBondContact CA-ND1 3.5Å; F28-H47 HydrophobicContact CB-CB 3.69Å; F28-H47 HydrophobicContact CD2-CB 3.38Å; F28-H47 AromaticContact CD2-CD2 3.68Å; F28-H47 AromaticContact CD2-CG 3.36Å; F28-H47 AromaticContact CD2-ND1 3.97Å; F28-H47 HydrophobicContact CE2-CB 4.21Å; F28-H47 HydrophobicContact CG-CB 3.66Å; F28-H47 AromaticContact CG-CG 3.87Å; F28-H47 PolarHBondContact N-ND1 3.04Å
29	Q	87.9	Confident	85.6	Confident	89 Å²	89	59.7 Å²	59.7	42%	0.416	36%	0.362	S	S	.	.			trans	-115	105.4	171.4	-67.2	-178	-2.4	0	0	108.3	G27 H31 C37 V38	G27-Q29 PolarHBondContact O-N 3.42Å; Q29-H31 PolarHBondContact O-N 3.25Å; Q29-C37 PolarHBondContact N-SG 2.84Å; Q29-C37 CarbonylContact O-C 3.5Å; Q29-C37 VanDerWaalsContact O-CA 3.3Å; Q29-C37 WeakPolarHBondContact O-CA 3.32Å; Q29-V38 HydrophobicContact CB-CB 4.31Å; Q29-V38 PolarHBondContact O-N 3.18Å
30	P	87.1	Confident	85.9	Confident	93 Å²	93	58.5 Å²	58.5	60%	0.604	36%	0.359	S	S	*	.	B	Isolated β-bridge	trans	-66.9	133	-174.2	26.6	-33.5	0	0	0	111	F28	F28-P30 HydrophobicContact CE1-CB 3.79Å; F28-P30 HydrophobicContact CE1-CG 4.5Å; F28-P30 HydrophobicContact CZ-CB 4.04Å
31	H	88.8	Confident	86	Confident	46 Å²	46	56 Å²	56	21%	0.213	35%	0.35	C	S	.	.			trans	-77.2	148.7	164.5	-165.6	-58.4	0	0	0	109.3	Q29 W33 R34 A36 V38	Q29-H31 PolarHBondContact O-N 3.25Å; H31-W33 AromaticContact CE1-CD1 3.68Å; H31-W33 AromaticContact CE1-CD2 3.92Å; H31-W33 AromaticContact CE1-CE2 3.47Å; H31-W33 VanDerWaalsContact CE1-CE2 3.47Å; H31-W33 AromaticContact CE1-NE1 3.31Å; H31-W33 PolarHBondContact CE1-NE1 3.28Å; H31-W33 VanDerWaalsContact CE1-NE1 3.31Å; H31-W33 AromaticContact ND1-CD1 3.92Å; H31-W33 PolarHBondContact ND1-N 3.3Å; H31-W33 AromaticContact ND1-NE1 3.99Å; H31-W33 PolarHBondContact O-N 3.3Å; H31-R34 HydrophobicContact CB-CB 3.74Å; H31-R34 HydrophobicContact CB-CG 4.37Å; H31-R34 PolarHBondContact ND1-N 3.34Å; H31-A36 PolarHBondContact N-O 3.4Å; H31-V38 HydrophobicContact CB-CG2 3.71Å
32	S	87.9	Confident	86.2	Confident	88 Å²	88	55.3 Å²	55.3	62%	0.615	35%	0.345	S	S	*	.	S	Bend	trans	-53.9	-46.7	179.3	49.7	0	0	0	0	113.6	Q163	S32-Q163 PolarHBondContact O-NE2 3.5Å; S32-Q163 PolarHBondContact O-OE1 3.35Å; S32-Q163 VanDerWaalsContact O-OE1 3.04Å
33	W	90	Very high	86.9	Confident	53 Å²	53	51.4 Å²	51.4	20%	0.201	33%	0.327	C	S	.	.	S	Bend	trans	-123.3	-19.4	-178.5	54.6	-99.9	0	0	0	115.6	H31 Q163 C318 H340	H31-W33 AromaticContact CE1-CD1 3.68Å; H31-W33 AromaticContact CE1-CD2 3.92Å; H31-W33 AromaticContact CE1-CE2 3.47Å; H31-W33 VanDerWaalsContact CE1-CE2 3.47Å; H31-W33 AromaticContact CE1-NE1 3.31Å; H31-W33 PolarHBondContact CE1-NE1 3.28Å; H31-W33 VanDerWaalsContact CE1-NE1 3.31Å; H31-W33 AromaticContact ND1-CD1 3.92Å; H31-W33 PolarHBondContact ND1-N 3.3Å; H31-W33 AromaticContact ND1-NE1 3.99Å; H31-W33 PolarHBondContact O-N 3.3Å; W33-Q163 VanDerWaalsContact CA-OE1 3.31Å; W33-C318 HydrophobicContact CE3-CB 3.82Å; W33-C318 HydrophobicContact CZ3-CB 4.21Å; W33-H340 AromaticContact CD2-CD2 3.73Å; W33-H340 AromaticContact CD2-NE2 3.8Å; W33-H340 AromaticContact CE3-CD2 3.36Å; W33-H340 AromaticContact CE3-CG 3.79Å; W33-H340 AromaticContact CE3-NE2 3.53Å; W33-H340 HydrophobicContact CH2-CB 3.92Å; W33-H340 AromaticContact CH2-CD2 3.72Å; W33-H340 AromaticContact CH2-CG 3.98Å; W33-H340 HydrophobicContact CZ3-CB 3.68Å; W33-H340 AromaticContact CZ3-CD2 3.33Å; W33-H340 WeakPolarHBondContact CZ3-CD2 3.45Å; W33-H340 AromaticContact CZ3-CG 3.43Å; W33-H340 VanDerWaalsContact CZ3-CG 3.43Å; W33-H340 AromaticContact CZ3-NE2 3.99Å
34	R	91.1	Very high	87.5	Confident	13 Å²	13	48.2 Å²	48.2	5%	0.049	30%	0.303	C	S	.	.	S	Bend	trans	-80.6	135.6	176.7	-54	-171.4	-178.7	-108.5	9.5	110.6	H31 A36 G317 C342 W344	H31-R34 HydrophobicContact CB-CB 3.74Å; H31-R34 HydrophobicContact CB-CG 4.37Å; H31-R34 PolarHBondContact ND1-N 3.34Å; R34-A36 PolarHBondContact O-N 2.92Å; R34-G317 WeakPolarHBondContact CG-O 3.28Å; R34-G317 PolarHBondContact NH1-O 3.25Å; R34-C342 PolarHBondContact NH2-O 3.31Å; R34-C342 PolarHBondContact NH2-SG 3.23Å; R34-W344 HydrophobicContact CB-CH2 3.55Å; R34-W344 HydrophobicContact CB-CZ3 3.67Å; R34-W344 HydrophobicContact CG-CH2 4.1Å; R34-W344 HydrophobicContact CG-CZ3 3.92Å
35	K	91.1	Very high	87.9	Confident	31 Å²	31	43.5 Å²	43.5	14%	0.135	27%	0.269	C	S	.	.	S	Bend	trans	-77.9	42.8	173.7	-51.9	-56.9	-177.8	-155.3	0	112.4	S43 T44 Y155 C318 D319 E320	K35-S43 WeakPolarHBondContact O-CA 3.41Å; K35-T44 HydrophobicContact CB-CG2 4.44Å; K35-T44 WeakPolarHBondContact O-CG2 3.4Å; K35-T44 PolarHBondContact O-N 3.5Å; K35-Y155 HydrophobicContact CB-CE1 4.4Å; K35-Y155 HydrophobicContact CD-CD1 4.29Å; K35-Y155 HydrophobicContact CD-CE1 4.1Å; K35-Y155 HydrophobicContact CG-CD1 4.38Å; K35-Y155 HydrophobicContact CG-CE1 3.81Å; K35-C318 VanDerWaalsContact CG-O 3.3Å; K35-C318 WeakPolarHBondContact CG-O 3.41Å; K35-D319 HydrophobicContact CB-CB 4.41Å; K35-D319 HydrophobicContact CG-CB 4.41Å; K35-E320 WeakPolarHBondContact CE-OE1 3.27Å; K35-E320 IonicContact NZ-OE1 2.82Å; K35-E320 PolarHBondContact NZ-OE1 3.05Å
36	A	89.6	Confident	88	Confident	9 Å²	9	44 Å²	44	7%	0.074	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-150.4	163.5	-176.7	0	0	0	0	0	111.6	H31 R34 G41 C42 W344	H31-A36 PolarHBondContact N-O 3.4Å; R34-A36 PolarHBondContact O-N 2.92Å; A36-G41 WeakPolarHBondContact CB-O 3.07Å; A36-C42 CarbonylContact C-O 3.57Å; A36-C42 WeakPolarHBondContact CA-O 3.45Å; A36-C42 VanDerWaalsContact CB-O 3.22Å; A36-C42 WeakPolarHBondContact CB-O 3.49Å; A36-W344 HydrophobicContact CB-CH2 3.16Å; A36-W344 HydrophobicContact CB-CZ2 4Å; A36-W344 HydrophobicContact CB-CZ3 3.69Å
37	C	89.8	Confident	88	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-76.5	128.2	-174.8	-175.7	0	0	0	0	111	F28 Q29 A39 C40 G41 C42 H47 W344	F28-C37 HydrophobicContact CD2-CB 3.77Å; F28-C37 HydrophobicContact CE2-CB 3.94Å; Q29-C37 PolarHBondContact N-SG 2.84Å; Q29-C37 CarbonylContact O-C 3.5Å; Q29-C37 VanDerWaalsContact O-CA 3.3Å; Q29-C37 WeakPolarHBondContact O-CA 3.32Å; C37-A39 PolarHBondContact O-N 3.38Å; C37-C40 VanDerWaalsContact CB-SG 3.59Å; C37-C40 PolarHBondContact O-N 2.82Å; C37-G41 VanDerWaalsContact O-CA 3.25Å; C37-G41 WeakPolarHBondContact O-CA 3.46Å; C37-G41 PolarHBondContact O-N 3.28Å; C37-C42 PolarHBondContact N-O 3.28Å; C37-H47 WeakPolarHBondContact CB-NE2 3.41Å; C37-W344 WeakPolarHBondContact O-CZ2 3.26Å
38	V	88.6	Confident	87.1	Confident	74 Å²	74	40 Å²	40	45%	0.448	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-36	176.5	-179.2	0	0	0	0	111.3	Q29 H31	Q29-V38 HydrophobicContact CB-CB 4.31Å; Q29-V38 PolarHBondContact O-N 3.18Å; H31-V38 HydrophobicContact CB-CG2 3.71Å
39	A	88.3	Confident	85.9	Confident	54 Å²	54	38.5 Å²	38.5	45%	0.446	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-36.7	-175.4	0	0	0	0	0	114.1	C37	C37-A39 PolarHBondContact O-N 3.38Å
40	C	88.7	Confident	84.3	Confident	40 Å²	40	39.5 Å²	39.5	27%	0.27	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.9	-9	-174	66.8	0	0	0	0	115.5	C25 C37 C42 H47	C25-C40 HydrophobicContact CB-CB 4.11Å; C37-C40 VanDerWaalsContact CB-SG 3.59Å; C37-C40 PolarHBondContact O-N 2.82Å; C40-C42 PolarHBondContact O-N 2.92Å; C40-C42 PolarHBondContact SG-N 3.2Å; C40-H47 PolarHBondContact SG-NE2 2.86Å
41	G	87.7	Confident	82.9	Confident	30 Å²	30	38.1 Å²	38.1	31%	0.309	24%	0.243	S	C	.	.			trans	75	-5.7	-176.6	0	0	0	0	0	115.3	A36 C37	A36-G41 WeakPolarHBondContact CB-O 3.07Å; C37-G41 VanDerWaalsContact O-CA 3.25Å; C37-G41 WeakPolarHBondContact O-CA 3.46Å; C37-G41 PolarHBondContact O-N 3.28Å
42	C	89.3	Confident	82	Confident	17 Å²	17	38 Å²	38	12%	0.115	26%	0.255	C	S	.	.			trans	-68	151.9	176.4	-60.1	0	0	0	0	111.6	C21 A36 C37 C40 D46	C21-C42 PolarHBondContact SG-SG 2.99Å; A36-C42 CarbonylContact C-O 3.57Å; A36-C42 WeakPolarHBondContact CA-O 3.45Å; A36-C42 VanDerWaalsContact CB-O 3.22Å; A36-C42 WeakPolarHBondContact CB-O 3.49Å; C37-C42 PolarHBondContact N-O 3.28Å; C40-C42 PolarHBondContact O-N 2.92Å; C40-C42 PolarHBondContact SG-N 3.2Å; C42-D46 HydrophobicContact CB-CB 3.69Å
43	S	88.9	Confident	81.7	Confident	32 Å²	32	36.7 Å²	36.7	22%	0.224	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-63.6	163.1	-176.3	71.2	0	0	0	0	112.2	K35 V45 D46 H47	K35-S43 WeakPolarHBondContact O-CA 3.41Å; S43-V45 PolarHBondContact O-N 3.15Å; S43-V45 PolarHBondContact OG-N 3.31Å; S43-D46 WeakPolarHBondContact CB-OD2 3.24Å; S43-D46 PolarHBondContact N-OD2 3.41Å; S43-D46 WeakPolarHBondContact O-CB 3.43Å; S43-D46 PolarHBondContact O-N 3.25Å; S43-D46 PolarHBondContact OG-N 3.04Å; S43-D46 PolarHBondContact OG-OD2 2.95Å; S43-H47 PolarHBondContact O-N 3.38Å
44	T	86.2	Confident	81.5	Confident	49 Å²	49	37.5 Å²	37.5	30%	0.301	26%	0.259	S	S	.	.	H	α-helix	trans	-57.5	-29.4	170	60.1	0	0	0	0	112.2	F28 K35 D46 H47 A48	F28-T44 HydrophobicContact CE1-CG2 4.31Å; F28-T44 HydrophobicContact CE2-CG2 3.93Å; F28-T44 HydrophobicContact CZ-CG2 3.44Å; F28-T44 VanDerWaalsContact CZ-CG2 3.44Å; K35-T44 HydrophobicContact CB-CG2 4.44Å; K35-T44 WeakPolarHBondContact O-CG2 3.4Å; K35-T44 PolarHBondContact O-N 3.5Å; T44-D46 VanDerWaalsContact C-N 3.32Å; T44-D46 PolarHBondContact O-N 2.97Å; T44-H47 CarbonylContact O-C 3.59Å; T44-H47 PolarHBondContact O-N 3.42Å; T44-A48 WeakPolarHBondContact O-CA 3.44Å; T44-A48 WeakPolarHBondContact O-CB 3.27Å; T44-A48 PolarHBondContact O-N 3.38Å
45	V	86.9	Confident	81.3	Confident	11 Å²	11	41.1 Å²	41.1	7%	0.067	28%	0.276	C	S	.	.	H	α-helix	trans	-70.9	-27.8	177.1	-179.6	0	0	0	0	112.4	S43 H47 R146 L149 N150	S43-V45 PolarHBondContact O-N 3.15Å; S43-V45 PolarHBondContact OG-N 3.31Å; V45-H47 PolarHBondContact O-N 3.12Å; V45-R146 HydrophobicContact CG1-CB 4.12Å; V45-R146 HydrophobicContact CG1-CG 4.26Å; V45-R146 PolarHBondContact O-NH1 3.14Å; V45-R146 VanDerWaalsContact O-NH1 3.14Å; V45-L149 HydrophobicContact CB-CB 4.35Å; V45-L149 HydrophobicContact CG1-CB 3.81Å; V45-L149 HydrophobicContact CG1-CD1 4.25Å; V45-L149 HydrophobicContact CG2-CB 3.59Å; V45-L149 HydrophobicContact CG2-CD1 4.43Å; V45-N150 VanDerWaalsContact CB-OD1 3.26Å; V45-N150 WeakPolarHBondContact CB-OD1 3.44Å; V45-N150 WeakPolarHBondContact CG1-OD1 3.35Å; V45-N150 WeakPolarHBondContact CG2-OD1 3.26Å
46	D	87.3	Confident	81.2	Confident	20 Å²	20	39.7 Å²	39.7	11%	0.107	27%	0.27	C	S	.	.	H	α-helix	trans	-74.7	-15.7	172.5	-58.5	-48.2	0	0	0	113.9	C18 L19 V20 C42 S43 T44 R146	C18-D46 CarbonylContact C-O 3.43Å; C18-D46 WeakPolarHBondContact CA-O 3.47Å; L19-D46 PolarHBondContact N-O 2.85Å; V20-D46 HydrophobicContact CG2-CB 3.97Å; V20-D46 WeakPolarHBondContact CG2-OD1 3.47Å; C42-D46 HydrophobicContact CB-CB 3.69Å; S43-D46 WeakPolarHBondContact CB-OD2 3.24Å; S43-D46 PolarHBondContact N-OD2 3.41Å; S43-D46 WeakPolarHBondContact O-CB 3.43Å; S43-D46 PolarHBondContact O-N 3.25Å; S43-D46 PolarHBondContact OG-N 3.04Å; S43-D46 PolarHBondContact OG-OD2 2.95Å; T44-D46 VanDerWaalsContact C-N 3.32Å; T44-D46 PolarHBondContact O-N 2.97Å; D46-R146 VanDerWaalsContact CA-NH1 3.28Å; D46-R146 IonicContact OD1-CZ 3.73Å; D46-R146 IonicContact OD1-NH1 3.73Å; D46-R146 PolarHBondContact OD1-NH1 3.17Å; D46-R146 IonicContact OD1-NH2 3.21Å; D46-R146 PolarHBondContact OD1-NH2 3.46Å
47	H	83.2	Confident	81.4	Confident	5 Å²	5	40.6 Å²	40.6	2%	0.023	27%	0.274	C	S	.	.	H	α-helix	trans	-112.2	-9.9	179.8	-88	-75.6	0	0	0	113.9	C18 C25 F28 C37 C40 S43 T44 V45 A49	C18-H47 VanDerWaalsContact CB-CE1 3.42Å; C18-H47 WeakPolarHBondContact CB-CE1 3.42Å; C18-H47 PolarHBondContact SG-NE2 3.28Å; C18-H47 VanDerWaalsContact SG-NE2 3.43Å; C25-H47 PolarHBondContact SG-CE1 3.31Å; F28-H47 WeakPolarHBondContact CA-ND1 3.5Å; F28-H47 HydrophobicContact CB-CB 3.69Å; F28-H47 HydrophobicContact CD2-CB 3.38Å; F28-H47 AromaticContact CD2-CD2 3.68Å; F28-H47 AromaticContact CD2-CG 3.36Å; F28-H47 AromaticContact CD2-ND1 3.97Å; F28-H47 HydrophobicContact CE2-CB 4.21Å; F28-H47 HydrophobicContact CG-CB 3.66Å; F28-H47 AromaticContact CG-CG 3.87Å; F28-H47 PolarHBondContact N-ND1 3.04Å; C37-H47 WeakPolarHBondContact CB-NE2 3.41Å; C40-H47 PolarHBondContact SG-NE2 2.86Å; S43-H47 PolarHBondContact O-N 3.38Å; T44-H47 CarbonylContact O-C 3.59Å; T44-H47 PolarHBondContact O-N 3.42Å; V45-H47 PolarHBondContact O-N 3.12Å; H47-A49 PolarHBondContact O-N 3.07Å
48	A	65.3	Low	81.5	Confident	26 Å²	26	44.2 Å²	44.2	22%	0.215	29%	0.291	C	S	.	.			trans	-56.3	106.9	-178.5	0	0	0	0	0	107.2	T44 L149	T44-A48 WeakPolarHBondContact O-CA 3.44Å; T44-A48 WeakPolarHBondContact O-CB 3.27Å; T44-A48 PolarHBondContact O-N 3.38Å; A48-L149 HydrophobicContact CB-CD1 4.3Å
49	A	59.8	Low	81.6	Confident	29 Å²	29	44 Å²	44	24%	0.24	28%	0.282	C	S	.	.			trans	-54.8	159.2	156.1	0	0	0	0	0	106.9	H47 D51	H47-A49 PolarHBondContact O-N 3.07Å; A49-D51 PolarHBondContact O-N 2.95Å
50	P	55.7	Low	81.9	Confident	110 Å²	110	41.7 Å²	41.7	71%	0.714	26%	0.262	S	S	*	.			trans	-64.6	85.8	172.7	25.4	-31.7	0	0	0	109.7	R145	P50-R145 VanDerWaalsContact C-NH1 3.34Å
51	D	57.4	Low	82.2	Confident	63 Å²	63	39.8 Å²	39.8	34%	0.337	25%	0.249	S	C	.	.			trans	-55.3	156.1	164.7	-60.8	-36.2	0	0	0	107.3	A49 D53 R59 R145	A49-D51 PolarHBondContact O-N 2.95Å; D51-D53 PolarHBondContact O-N 3.39Å; D51-R59 IonicContact OD2-NH2 2.87Å; D51-R145 VanDerWaalsContact C-NH2 3.26Å; D51-R145 VanDerWaalsContact CB-NH2 3.32Å; D51-R145 VanDerWaalsContact N-NH2 3.16Å; D51-R145 PolarHBondContact O-NH1 3.48Å; D51-R145 PolarHBondContact O-NH2 3.03Å
52	G	69.9	Low	82.5	Confident	45 Å²	45	43 Å²	43	46%	0.464	25%	0.252	S	S	.	.			trans	-60.1	143	-176	0	0	0	0	0	112.4	A54 E55	G52-A54 PolarHBondContact O-N 3.3Å; G52-E55 PolarHBondContact O-N 2.91Å
53	D	80.3	Confident	82.8	Confident	59 Å²	59	42.2 Å²	42.2	32%	0.316	25%	0.246	S	C	.	.	H	α-helix	trans	-40.5	-33.5	167.7	-87.8	3.8	0	0	0	113.3	D51 E55 D56 D57 R87 R89	D51-D53 PolarHBondContact O-N 3.39Å; D53-E55 PolarHBondContact O-N 3.43Å; D53-D56 PolarHBondContact O-N 3.02Å; D53-D57 VanDerWaalsContact O-CG 3.32Å; D53-D57 PolarHBondContact O-N 3.33Å; D53-D57 VanDerWaalsContact O-OD2 3.11Å; D53-R87 VanDerWaalsContact CB-NH1 3.33Å; D53-R87 PolarHBondContact O-NH1 2.91Å; D53-R87 PolarHBondContact O-NH2 3.2Å; D53-R87 IonicContact OD2-NH1 3.75Å; D53-R89 IonicContact OD2-CZ 3.45Å; D53-R89 IonicContact OD2-NH1 2.79Å; D53-R89 PolarHBondContact OD2-NH1 3.1Å
54	A	87.1	Confident	83.1	Confident	70 Å²	70	40.7 Å²	40.7	58%	0.579	24%	0.236	S	C	*	.	H	α-helix	trans	-61.8	-38.4	178.5	0	0	0	0	0	114.3	G52 D57 Q58	G52-A54 PolarHBondContact O-N 3.3Å; A54-D57 PolarHBondContact O-N 2.89Å; A54-Q58 WeakPolarHBondContact O-CB 3.46Å; A54-Q58 PolarHBondContact O-N 3.42Å
55	E	87.3	Confident	83.5	Confident	89 Å²	89	38.5 Å²	38.5	42%	0.416	22%	0.222	S	C	.	.	H	α-helix	trans	-69.6	-42.3	178.6	-67.1	-162.7	175.6	0	0	111.2	G52 D53 D57 Q58 R59	G52-E55 PolarHBondContact O-N 2.91Å; D53-E55 PolarHBondContact O-N 3.43Å; E55-D57 VanDerWaalsContact C-N 3.28Å; E55-D57 PolarHBondContact O-N 3.42Å; E55-Q58 WeakPolarHBondContact O-CB 3.37Å; E55-Q58 PolarHBondContact O-N 2.89Å; E55-Q58 VanDerWaalsContact O-N 3.15Å; E55-R59 VanDerWaalsContact O-CG 3.31Å; E55-R59 WeakPolarHBondContact O-CG 3.49Å; E55-R59 PolarHBondContact O-N 2.81Å; E55-R59 IonicContact OE2-CZ 2.59Å; E55-R59 IonicContact OE2-NH2 3.29Å; E55-R59 PolarHBondContact OE2-NH2 3.06Å
56	D	88.6	Confident	83.7	Confident	1 Å²	1	43 Å²	43	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-64.5	-37.4	176.3	-71.3	-10.2	0	0	0	110.5	D53 Q58 R59 M60 R145	D53-D56 PolarHBondContact O-N 3.02Å; D56-Q58 VanDerWaalsContact C-N 3.33Å; D56-Q58 PolarHBondContact O-N 3.3Å; D56-R59 PolarHBondContact O-N 2.98Å; D56-R59 IonicContact OD1-CZ 2.7Å; D56-R59 IonicContact OD1-NH1 3.67Å; D56-R59 PolarHBondContact OD1-NH1 2.83Å; D56-M60 WeakPolarHBondContact O-CB 3.46Å; D56-M60 VanDerWaalsContact O-CG 3.31Å; D56-M60 WeakPolarHBondContact O-CG 3.48Å; D56-M60 PolarHBondContact O-N 3.25Å; D56-R145 IonicContact OD1-NH2 2.74Å; D56-R145 IonicContact OD2-CZ 3.07Å; D56-R145 IonicContact OD2-NE 2.79Å; D56-R145 PolarHBondContact OD2-NE 2.82Å; D56-R145 IonicContact OD2-NH2 2.66Å; D56-R145 PolarHBondContact OD2-NH2 3Å
57	D	93.1	Very high	84	Confident	28 Å²	28	42.3 Å²	42.3	15%	0.15	24%	0.243	C	C	.	.	H	α-helix	trans	-64.8	-36.6	172.9	-76.6	-35.4	0	0	0	112.6	D53 A54 E55 G61 Y85 R87	D53-D57 VanDerWaalsContact O-CG 3.32Å; D53-D57 PolarHBondContact O-N 3.33Å; D53-D57 VanDerWaalsContact O-OD2 3.11Å; A54-D57 PolarHBondContact O-N 2.89Å; E55-D57 VanDerWaalsContact C-N 3.28Å; E55-D57 PolarHBondContact O-N 3.42Å; D57-G61 WeakPolarHBondContact O-CA 3.49Å; D57-G61 PolarHBondContact O-N 3.1Å; D57-Y85 WeakPolarHBondContact O-CB 3.25Å; D57-Y85 PolarHBondContact O-N 2.84Å; D57-R87 WeakPolarHBondContact OD1-CB 3.38Å; D57-R87 IonicContact OD1-CZ 2.79Å; D57-R87 IonicContact OD1-NE 3.8Å; D57-R87 PolarHBondContact OD1-NE 3.49Å; D57-R87 IonicContact OD1-NH1 2.67Å; D57-R87 PolarHBondContact OD1-NH1 3.34Å; D57-R87 VanDerWaalsContact OD1-NH1 3.15Å; D57-R87 IonicContact OD1-NH2 3.72Å; D57-R87 PolarHBondContact OD1-NH2 2.78Å; D57-R87 IonicContact OD2-CZ 3.66Å; D57-R87 VanDerWaalsContact OD2-CZ 3.29Å; D57-R87 IonicContact OD2-NH1 2.75Å; D57-R87 PolarHBondContact OD2-NH1 2.9Å; D57-R87 IonicContact OD2-NH2 3.29Å; D57-R87 PolarHBondContact OD2-NH2 3.16Å
58	Q	92.3	Very high	84.5	Confident	77 Å²	77	44.3 Å²	44.3	36%	0.36	26%	0.256	S	S	.	.	H	α-helix	trans	-69.3	-42.2	176.3	-169.1	-178.3	-9.9	0	0	111.6	A54 E55 D56 G61 R62 L82	A54-Q58 WeakPolarHBondContact O-CB 3.46Å; A54-Q58 PolarHBondContact O-N 3.42Å; E55-Q58 WeakPolarHBondContact O-CB 3.37Å; E55-Q58 PolarHBondContact O-N 2.89Å; E55-Q58 VanDerWaalsContact O-N 3.15Å; D56-Q58 VanDerWaalsContact C-N 3.33Å; D56-Q58 PolarHBondContact O-N 3.3Å; Q58-G61 PolarHBondContact O-N 2.76Å; Q58-R62 PolarHBondContact O-N 3.1Å; Q58-L82 HydrophobicContact CG-CD1 3.87Å; Q58-L82 HydrophobicContact CG-CD2 4.37Å
59	R	91.3	Very high	85.9	Confident	70 Å²	70	43.5 Å²	43.5	26%	0.264	25%	0.249	S	C	.	.	H	α-helix	trans	-60.3	-49.3	176	-69.3	167.9	-164.4	161.6	-1	110.4	D51 E55 D56 G61 R62 L63 V154	D51-R59 IonicContact OD2-NH2 2.87Å; E55-R59 VanDerWaalsContact O-CG 3.31Å; E55-R59 WeakPolarHBondContact O-CG 3.49Å; E55-R59 PolarHBondContact O-N 2.81Å; E55-R59 IonicContact OE2-CZ 2.59Å; E55-R59 IonicContact OE2-NH2 3.29Å; E55-R59 PolarHBondContact OE2-NH2 3.06Å; D56-R59 PolarHBondContact O-N 2.98Å; D56-R59 IonicContact OD1-CZ 2.7Å; D56-R59 IonicContact OD1-NH1 3.67Å; D56-R59 PolarHBondContact OD1-NH1 2.83Å; R59-G61 PolarHBondContact O-N 3.35Å; R59-R62 WeakPolarHBondContact O-CB 3.5Å; R59-R62 PolarHBondContact O-N 3.34Å; R59-L63 PolarHBondContact O-N 3.23Å; R59-V154 HydrophobicContact CG-CG2 4.43Å
60	M	94.3	Very high	87.5	Confident	4 Å²	4	42.4 Å²	42.4	2%	0.02	24%	0.24	C	C	.	.	H	α-helix	trans	-65.1	-38.8	175.9	-71.7	-64.2	-74.4	0	0	112.6	D56 R62 L63 L64 Y85 L148 L152 D291 V293	D56-M60 WeakPolarHBondContact O-CB 3.46Å; D56-M60 VanDerWaalsContact O-CG 3.31Å; D56-M60 WeakPolarHBondContact O-CG 3.48Å; D56-M60 PolarHBondContact O-N 3.25Å; M60-R62 VanDerWaalsContact C-N 3.3Å; M60-R62 PolarHBondContact O-N 2.77Å; M60-L63 PolarHBondContact O-N 3.24Å; M60-L63 HydrophobicContact SD-CD2 4.39Å; M60-L64 HydrophobicContact CE-CD1 4.41Å; M60-L64 WeakPolarHBondContact O-CG 3.5Å; M60-L64 PolarHBondContact O-N 3.09Å; M60-Y85 HydrophobicContact CB-CD1 3.9Å; M60-Y85 HydrophobicContact CB-CG 3.8Å; M60-Y85 HydrophobicContact CE-CE1 4.41Å; M60-Y85 HydrophobicContact CG-CD1 4.29Å; M60-L148 HydrophobicContact CE-CD1 4.13Å; M60-L148 HydrophobicContact CG-CD1 4.45Å; M60-L148 HydrophobicContact CG-CD2 4.12Å; M60-L148 HydrophobicContact SD-CD1 3.72Å; M60-L148 HydrophobicContact SD-CD2 4.41Å; M60-L148 HydrophobicContact SD-CG 4.32Å; M60-L152 HydrophobicContact CE-CD1 4.45Å; M60-L152 HydrophobicContact SD-CD1 3.59Å; M60-L152 VanDerWaalsContact SD-CD1 3.59Å; M60-D291 HydrophobicContact CE-CB 4.27Å; M60-V293 HydrophobicContact CE-CG2 3.44Å; M60-V293 VanDerWaalsContact CE-CG2 3.44Å
61	G	95.2	Very high	89.3	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-59.8	-39.4	174.8	0	0	0	0	0	112.7	D57 Q58 R59 G65 R83	D57-G61 WeakPolarHBondContact O-CA 3.49Å; D57-G61 PolarHBondContact O-N 3.1Å; Q58-G61 PolarHBondContact O-N 2.76Å; R59-G61 PolarHBondContact O-N 3.35Å; G61-G65 WeakPolarHBondContact O-CA 3.43Å; G61-G65 PolarHBondContact O-N 2.84Å; G61-R83 WeakPolarHBondContact CA-O 3.46Å
62	R	93.5	Very high	91.1	Very high	98 Å²	98	38.3 Å²	38.3	37%	0.37	21%	0.21	S	C	.	.	H	α-helix	trans	-67.9	-44	173	-177.9	-173.2	-65.6	-96.6	7	111.8	Q58 R59 M60 G65 D158 K182	Q58-R62 PolarHBondContact O-N 3.1Å; R59-R62 WeakPolarHBondContact O-CB 3.5Å; R59-R62 PolarHBondContact O-N 3.34Å; M60-R62 VanDerWaalsContact C-N 3.3Å; M60-R62 PolarHBondContact O-N 2.77Å; R62-G65 PolarHBondContact O-N 3.32Å; R62-D158 IonicContact CZ-OD2 3.13Å; R62-D158 IonicContact NE-OD2 3.64Å; R62-D158 IonicContact NH1-OD2 3.29Å; R62-D158 PolarHBondContact NH1-OD2 3.43Å; R62-D158 IonicContact NH2-OD2 3.22Å; R62-D158 PolarHBondContact NH2-OD2 2.84Å; R62-K182 PolarHBondContact O-NZ 3.25Å
63	L	95.3	Very high	92.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.1	-54.6	-179.6	176.7	60	0	0	0	111.7	R59 M60 G65 L152 Q157 F181 K182 L186 V293 F295	R59-L63 PolarHBondContact O-N 3.23Å; M60-L63 PolarHBondContact O-N 3.24Å; M60-L63 HydrophobicContact SD-CD2 4.39Å; L63-G65 VanDerWaalsContact C-N 3.26Å; L63-G65 PolarHBondContact O-N 3.45Å; L63-L152 HydrophobicContact CD2-CD1 3.64Å; L63-L152 HydrophobicContact CD2-CD2 3.67Å; L63-L152 HydrophobicContact CD2-CG 4.18Å; L63-Q157 VanDerWaalsContact CB-OE1 3.23Å; L63-F181 HydrophobicContact CD1-CE2 3.95Å; L63-K182 WeakPolarHBondContact O-CE 3.44Å; L63-K182 PolarHBondContact O-NZ 3.41Å; L63-L186 HydrophobicContact CD1-CD1 4.27Å; L63-L186 HydrophobicContact CD1-CD2 3.87Å; L63-L186 HydrophobicContact CD2-CD1 4.38Å; L63-L186 HydrophobicContact CG-CD1 4.35Å; L63-L186 HydrophobicContact CG-CD2 4.05Å; L63-V293 HydrophobicContact CD2-CG1 3.94Å; L63-F295 HydrophobicContact CD1-CZ 4.34Å
64	L	95.9	Very high	93	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-78.3	-16.4	-176.6	-56.3	179.1	0	0	0	111.9	M60 S67 C69 L72 T73 Y85 L186 V188	M60-L64 HydrophobicContact CE-CD1 4.41Å; M60-L64 WeakPolarHBondContact O-CG 3.5Å; M60-L64 PolarHBondContact O-N 3.09Å; L64-S67 WeakPolarHBondContact O-CB 3.33Å; L64-S67 PolarHBondContact O-N 2.94Å; L64-S67 PolarHBondContact O-OG 2.64Å; L64-C69 HydrophobicContact CB-CB 4.47Å; L64-C69 HydrophobicContact CD2-CB 4.03Å; L64-L72 HydrophobicContact CD1-CB 4.13Å; L64-L72 HydrophobicContact CD1-CD1 4.24Å; L64-T73 HydrophobicContact CB-CG2 3.68Å; L64-T73 HydrophobicContact CD1-CG2 4.36Å; L64-Y85 HydrophobicContact CD1-CD2 3.98Å; L64-Y85 HydrophobicContact CD1-CE2 4.01Å; L64-L186 HydrophobicContact CD2-CD2 4.3Å; L64-V188 HydrophobicContact CD1-CG2 4.32Å; L64-V188 HydrophobicContact CD2-CG2 3.68Å
65	G	93.5	Very high	93.3	Very high	2 Å²	2	38.2 Å²	38.2	2%	0.021	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	135.2	170.5	0	0	0	0	0	111.6	G61 R62 L63 S67 K182	G61-G65 WeakPolarHBondContact O-CA 3.43Å; G61-G65 PolarHBondContact O-N 2.84Å; R62-G65 PolarHBondContact O-N 3.32Å; L63-G65 VanDerWaalsContact C-N 3.26Å; L63-G65 PolarHBondContact O-N 3.45Å; G65-S67 PolarHBondContact O-N 3.46Å; G65-K182 PolarHBondContact O-NZ 3.01Å; G65-K182 VanDerWaalsContact O-NZ 3.13Å
66	D	91.3	Very high	93.5	Very high	106 Å²	106	36.5 Å²	36.5	57%	0.567	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.5	19.6	-179.5	-50.6	-46.6	0	0	0	115
67	S	94.1	Very high	93.5	Very high	5 Å²	5	46.4 Å²	46.4	4%	0.035	23%	0.225	C	C	.	.	S	Bend	trans	-105.5	169.6	168.8	78.1	0	0	0	0	111.2	L64 G65 C69 S70 K182	L64-S67 WeakPolarHBondContact O-CB 3.33Å; L64-S67 PolarHBondContact O-N 2.94Å; L64-S67 PolarHBondContact O-OG 2.64Å; G65-S67 PolarHBondContact O-N 3.46Å; S67-C69 PolarHBondContact O-N 3.37Å; S67-C69 VanDerWaalsContact O-N 3.1Å; S67-C69 WeakPolarHBondContact OG-CB 3.42Å; S67-C69 PolarHBondContact OG-N 3.22Å; S67-S70 WeakPolarHBondContact O-CB 3.33Å; S67-S70 PolarHBondContact O-N 3.19Å; S67-K182 WeakPolarHBondContact CB-O 3.49Å
68	P	93.4	Very high	93.1	Very high	47 Å²	47	49.4 Å²	49.4	31%	0.305	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-20.3	168.3	-25.3	36.4	0	0	0	114	S70 H71 K182	P68-S70 PolarHBondContact O-N 3.41Å; P68-H71 PolarHBondContact O-ND1 3.38Å; P68-K182 WeakPolarHBondContact CD-O 3.3Å
69	C	94.3	Very high	92.3	Very high	9 Å²	9	47.2 Å²	47.2	6%	0.061	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	12.7	176.8	-53	0	0	0	0	113.2	L64 S67 H71 L72 V188	L64-C69 HydrophobicContact CB-CB 4.47Å; L64-C69 HydrophobicContact CD2-CB 4.03Å; S67-C69 PolarHBondContact O-N 3.37Å; S67-C69 VanDerWaalsContact O-N 3.1Å; S67-C69 WeakPolarHBondContact OG-CB 3.42Å; S67-C69 PolarHBondContact OG-N 3.22Å; C69-H71 PolarHBondContact O-N 2.79Å; C69-H71 VanDerWaalsContact O-N 3.09Å; C69-L72 HydrophobicContact CB-CD1 4.35Å; C69-L72 WeakPolarHBondContact O-CB 3.34Å; C69-L72 PolarHBondContact O-N 3.22Å; C69-L72 VanDerWaalsContact O-N 3.1Å; C69-V188 HydrophobicContact CB-CG2 4.09Å
70	S	93.9	Very high	91.7	Very high	7 Å²	7	48 Å²	48	5%	0.049	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-54.9	-30.8	-176.3	121.8	0	0	0	0	113.8	S67 P68 L72 T73 R83 E211	S67-S70 WeakPolarHBondContact O-CB 3.33Å; S67-S70 PolarHBondContact O-N 3.19Å; P68-S70 PolarHBondContact O-N 3.41Å; S70-L72 PolarHBondContact O-N 3.29Å; S70-T73 PolarHBondContact O-N 2.88Å; S70-T73 PolarHBondContact O-OG1 3.03Å; S70-R83 PolarHBondContact O-NH1 3.33Å; S70-R83 PolarHBondContact OG-NH2 2.85Å; S70-R83 VanDerWaalsContact OG-NH2 3.11Å; S70-E211 WeakPolarHBondContact CB-OE1 3.28Å; S70-E211 PolarHBondContact OG-OE1 2.69Å
71	H	93.1	Very high	91	Very high	63 Å²	63	50.9 Å²	50.9	29%	0.292	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-58.8	-27.2	179.3	65.5	-84.1	0	0	0	113.8	P68 C69 T73 K86	P68-H71 PolarHBondContact O-ND1 3.38Å; C69-H71 PolarHBondContact O-N 2.79Å; C69-H71 VanDerWaalsContact O-N 3.09Å; H71-T73 PolarHBondContact O-N 3.37Å; H71-K86 PolarHBondContact O-NZ 3.14Å
72	L	95.6	Very high	90.6	Very high	24 Å²	24	53.3 Å²	53.3	13%	0.126	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-75.3	0.7	176.4	-60.5	177.5	0	0	0	113.6	L64 C69 S70 Y85 K86 A114 V188	L64-L72 HydrophobicContact CD1-CB 4.13Å; L64-L72 HydrophobicContact CD1-CD1 4.24Å; C69-L72 HydrophobicContact CB-CD1 4.35Å; C69-L72 WeakPolarHBondContact O-CB 3.34Å; C69-L72 PolarHBondContact O-N 3.22Å; C69-L72 VanDerWaalsContact O-N 3.1Å; S70-L72 PolarHBondContact O-N 3.29Å; L72-Y85 HydrophobicContact CB-CE2 4.22Å; L72-Y85 VanDerWaalsContact O-CD2 3.31Å; L72-Y85 WeakPolarHBondContact O-CD2 3.36Å; L72-K86 WeakPolarHBondContact O-CB 3.45Å; L72-K86 PolarHBondContact O-N 3.49Å; L72-A114 HydrophobicContact CD2-CB 4.11Å; L72-V188 HydrophobicContact CD1-CB 3.82Å; L72-V188 HydrophobicContact CD1-CG1 3.82Å; L72-V188 HydrophobicContact CD1-CG2 3.71Å
73	T	96	Very high	90.6	Very high	3 Å²	3	50.8 Å²	50.8	2%	0.018	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	161	179.8	67.2	0	0	0	0	110.8	L64 S70 H71 R83 V84 K86	L64-T73 HydrophobicContact CB-CG2 3.68Å; L64-T73 HydrophobicContact CD1-CG2 4.36Å; S70-T73 PolarHBondContact O-N 2.88Å; S70-T73 PolarHBondContact O-OG1 3.03Å; H71-T73 PolarHBondContact O-N 3.37Å; T73-R83 PolarHBondContact OG1-NH1 3.39Å; T73-V84 CarbonylContact C-O 3.56Å; T73-V84 WeakPolarHBondContact CA-O 3.36Å; T73-V84 VanDerWaalsContact CB-O 3.26Å; T73-V84 WeakPolarHBondContact CB-O 3.42Å; T73-K86 WeakPolarHBondContact O-CE 3.19Å; T73-K86 PolarHBondContact O-NZ 3.23Å
74	A	94.8	Very high	90.6	Very high	33 Å²	33	53 Å²	53	27%	0.273	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	140.9	176.7	0	0	0	0	0	110.3	R83 V84 K86	A74-R83 CarbonylContact O-C 3.56Å; A74-R83 VanDerWaalsContact O-CA 3.24Å; A74-R83 WeakPolarHBondContact O-CA 3.18Å; A74-V84 HydrophobicContact CB-CG2 4.25Å; A74-V84 PolarHBondContact N-O 2.91Å; A74-V84 PolarHBondContact O-N 3.04Å; A74-K86 HydrophobicContact CB-CG 4.09Å
75	K	92.6	Very high	90.6	Very high	135 Å²	135	53.6 Å²	53.6	59%	0.587	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.7	133.4	171.4	-67.1	-170.6	178.6	-162.6	0	110	R83	K75-R83 HydrophobicContact CG-CG 4.17Å
76	V	91.3	Very high	90.6	Very high	54 Å²	54	59.1 Å²	59.1	33%	0.327	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-82.6	124.6	174.4	-176.6	0	0	0	0	109.1	G78 G79 L82 V84	V76-G78 PolarHBondContact O-N 2.84Å; V76-G79 PolarHBondContact O-N 2.78Å; V76-G79 VanDerWaalsContact O-N 3.17Å; V76-L82 HydrophobicContact CB-CB 4.41Å; V76-L82 HydrophobicContact CG2-CB 4.46Å; V76-L82 HydrophobicContact CG2-CD2 4.28Å; V76-L82 HydrophobicContact CG2-CG 4.26Å; V76-L82 PolarHBondContact N-O 3.35Å; V76-V84 HydrophobicContact CG2-CB 4.33Å; V76-V84 HydrophobicContact CG2-CG1 3.6Å; V76-V84 HydrophobicContact CG2-CG2 3.91Å
77	K	88.4	Confident	90.8	Very high	208 Å²	208	55.4 Å²	55.4	90%	0.904	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	131.2	176.4	-72.5	-175.2	177.9	179	0	109.9	G79	K77-G79 PolarHBondContact O-N 3.24Å; K77-G79 VanDerWaalsContact O-N 3.15Å
78	G	84.5	Confident	90.8	Very high	92 Å²	92	57.9 Å²	57.9	95%	0.948	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.1	0.3	-178.7	0	0	0	0	0	115.1	V76 G80	V76-G78 PolarHBondContact O-N 2.84Å; G78-G80 VanDerWaalsContact C-N 3.27Å; G78-G80 PolarHBondContact O-N 2.8Å
79	G	76.7	Confident	90.7	Very high	30 Å²	30	60.3 Å²	60.3	31%	0.309	36%	0.358	S	S	.	.	S	Bend	trans	-85.3	22.3	-174.7	0	0	0	0	0	115.3	V76 K77 G81 L82	V76-G79 PolarHBondContact O-N 2.78Å; V76-G79 VanDerWaalsContact O-N 3.17Å; K77-G79 PolarHBondContact O-N 3.24Å; K77-G79 VanDerWaalsContact O-N 3.15Å; G79-G81 PolarHBondContact O-N 2.83Å; G79-G81 VanDerWaalsContact O-N 3.08Å; G79-L82 WeakPolarHBondContact O-CB 3.46Å; G79-L82 PolarHBondContact O-N 2.84Å
80	G	79.1	Confident	90.7	Very high	88 Å²	88	60.6 Å²	60.6	91%	0.907	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	29.8	176.3	0	0	0	0	0	115.3	G78	G78-G80 VanDerWaalsContact C-N 3.27Å; G78-G80 PolarHBondContact O-N 2.8Å
81	G	79.4	Confident	90.7	Very high	64 Å²	64	65.1 Å²	65.1	66%	0.66	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.5	-0.7	-176	0	0	0	0	0	115	G79 R83	G79-G81 PolarHBondContact O-N 2.83Å; G79-G81 VanDerWaalsContact O-N 3.08Å; G81-R83 PolarHBondContact O-N 3.33Å
82	L	86.9	Confident	90.6	Very high	51 Å²	51	62.3 Å²	62.3	27%	0.267	37%	0.369	S	S	.	.			trans	-56.5	135.5	175.5	-173.4	65.8	0	0	0	112	Q58 V76 G79	Q58-L82 HydrophobicContact CG-CD1 3.87Å; Q58-L82 HydrophobicContact CG-CD2 4.37Å; V76-L82 HydrophobicContact CB-CB 4.41Å; V76-L82 HydrophobicContact CG2-CB 4.46Å; V76-L82 HydrophobicContact CG2-CD2 4.28Å; V76-L82 HydrophobicContact CG2-CG 4.26Å; V76-L82 PolarHBondContact N-O 3.35Å; G79-L82 WeakPolarHBondContact O-CB 3.46Å; G79-L82 PolarHBondContact O-N 2.84Å
83	R	93.1	Very high	90.2	Very high	44 Å²	44	64.3 Å²	64.3	17%	0.166	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	143.3	172.9	-76.1	179.6	161.8	-106.7	17	110.4	G61 S70 T73 A74 K75 G81	G61-R83 WeakPolarHBondContact CA-O 3.46Å; S70-R83 PolarHBondContact O-NH1 3.33Å; S70-R83 PolarHBondContact OG-NH2 2.85Å; S70-R83 VanDerWaalsContact OG-NH2 3.11Å; T73-R83 PolarHBondContact OG1-NH1 3.39Å; A74-R83 CarbonylContact O-C 3.56Å; A74-R83 VanDerWaalsContact O-CA 3.24Å; A74-R83 WeakPolarHBondContact O-CA 3.18Å; K75-R83 HydrophobicContact CG-CG 4.17Å; G81-R83 PolarHBondContact O-N 3.33Å
84	V	95	Very high	89.5	Confident	46 Å²	46	67.9 Å²	67.9	28%	0.279	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	144.4	174.7	-69.3	0	0	0	0	109.9	T73 A74 V76	T73-V84 CarbonylContact C-O 3.56Å; T73-V84 WeakPolarHBondContact CA-O 3.36Å; T73-V84 VanDerWaalsContact CB-O 3.26Å; T73-V84 WeakPolarHBondContact CB-O 3.42Å; A74-V84 HydrophobicContact CB-CG2 4.25Å; A74-V84 PolarHBondContact N-O 2.91Å; A74-V84 PolarHBondContact O-N 3.04Å; V76-V84 HydrophobicContact CG2-CB 4.33Å; V76-V84 HydrophobicContact CG2-CG1 3.6Å; V76-V84 HydrophobicContact CG2-CG2 3.91Å
85	Y	95.7	Very high	88.6	Confident	14 Å²	14	70.6 Å²	70.6	6%	0.055	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	135.1	177	-177.8	-140.1	0	0	0	110.9	D57 M60 L64 L72 R87 W111	D57-Y85 WeakPolarHBondContact O-CB 3.25Å; D57-Y85 PolarHBondContact O-N 2.84Å; M60-Y85 HydrophobicContact CB-CD1 3.9Å; M60-Y85 HydrophobicContact CB-CG 3.8Å; M60-Y85 HydrophobicContact CE-CE1 4.41Å; M60-Y85 HydrophobicContact CG-CD1 4.29Å; L64-Y85 HydrophobicContact CD1-CD2 3.98Å; L64-Y85 HydrophobicContact CD1-CE2 4.01Å; L72-Y85 HydrophobicContact CB-CE2 4.22Å; L72-Y85 VanDerWaalsContact O-CD2 3.31Å; L72-Y85 WeakPolarHBondContact O-CD2 3.36Å; Y85-R87 HydrophobicContact CD1-CB 3.72Å; Y85-R87 HydrophobicContact CD1-CG 4.26Å; Y85-R87 HydrophobicContact CE1-CB 3.86Å; Y85-R87 HydrophobicContact CE1-CG 3.99Å; Y85-R87 PolarHBondContact O-N 2.77Å; Y85-W111 PolarHBondContact OH-NE1 2.89Å
86	K	94.5	Very high	87.7	Confident	119 Å²	119	67.3 Å²	67.3	52%	0.517	41%	0.407	S	S	.	.			trans	-83.9	65.6	170.8	-64.6	172.7	-179	158.3	0	108.4	H71 L72 T73 A74 N88	H71-K86 PolarHBondContact O-NZ 3.14Å; L72-K86 WeakPolarHBondContact O-CB 3.45Å; L72-K86 PolarHBondContact O-N 3.49Å; T73-K86 WeakPolarHBondContact O-CE 3.19Å; T73-K86 PolarHBondContact O-NZ 3.23Å; A74-K86 HydrophobicContact CB-CG 4.09Å; K86-N88 PolarHBondContact O-N 3.2Å
87	R	93.6	Very high	86.2	Confident	27 Å²	27	71.5 Å²	71.5	10%	0.102	43%	0.432	C	S	.	.			trans	-56.9	125.6	179.4	-170.5	-176.1	-57.8	117.2	-4.5	109.7	D53 D57 Y85 R89 D110	D53-R87 VanDerWaalsContact CB-NH1 3.33Å; D53-R87 PolarHBondContact O-NH1 2.91Å; D53-R87 PolarHBondContact O-NH2 3.2Å; D53-R87 IonicContact OD2-NH1 3.75Å; D57-R87 WeakPolarHBondContact OD1-CB 3.38Å; D57-R87 IonicContact OD1-CZ 2.79Å; D57-R87 IonicContact OD1-NE 3.8Å; D57-R87 PolarHBondContact OD1-NE 3.49Å; D57-R87 IonicContact OD1-NH1 2.67Å; D57-R87 PolarHBondContact OD1-NH1 3.34Å; D57-R87 VanDerWaalsContact OD1-NH1 3.15Å; D57-R87 IonicContact OD1-NH2 3.72Å; D57-R87 PolarHBondContact OD1-NH2 2.78Å; D57-R87 IonicContact OD2-CZ 3.66Å; D57-R87 VanDerWaalsContact OD2-CZ 3.29Å; D57-R87 IonicContact OD2-NH1 2.75Å; D57-R87 PolarHBondContact OD2-NH1 2.9Å; D57-R87 IonicContact OD2-NH2 3.29Å; D57-R87 PolarHBondContact OD2-NH2 3.16Å; Y85-R87 HydrophobicContact CD1-CB 3.72Å; Y85-R87 HydrophobicContact CD1-CG 4.26Å; Y85-R87 HydrophobicContact CE1-CB 3.86Å; Y85-R87 HydrophobicContact CE1-CG 3.99Å; Y85-R87 PolarHBondContact O-N 2.77Å; R87-R89 PolarHBondContact O-N 3.2Å; R87-D110 WeakPolarHBondContact CD-O 3.07Å
88	N	94.2	Very high	85.2	Confident	57 Å²	57	64.6 Å²	64.6	31%	0.305	41%	0.41	S	S	.	.			trans	-84.1	97.1	176.1	-175	22.3	0	0	0	109.4	K86 W111 A112 P113	K86-N88 PolarHBondContact O-N 3.2Å; N88-W111 CarbonylContact O-C 3.49Å; N88-W111 WeakPolarHBondContact O-CA 3.27Å; N88-A112 WeakPolarHBondContact CB-O 3.44Å; N88-A112 PolarHBondContact O-N 2.93Å; N88-P113 PolarHBondContact ND2-O 2.57Å
89	R	93.1	Very high	84.2	Confident	99 Å²	99	72.3 Å²	72.3	37%	0.374	41%	0.411	S	S	.	.			trans	-85.2	116	170.6	-70.2	179.5	67.8	85.4	16.7	108.6	D53 R87 D110 S136	D53-R89 IonicContact OD2-CZ 3.45Å; D53-R89 IonicContact OD2-NH1 2.79Å; D53-R89 PolarHBondContact OD2-NH1 3.1Å; R87-R89 PolarHBondContact O-N 3.2Å; R89-D110 WeakPolarHBondContact CG-O 3.35Å; R89-D110 IonicContact CZ-OD1 3.27Å; R89-D110 VanDerWaalsContact CZ-OD1 3.25Å; R89-D110 IonicContact NH1-OD1 3.15Å; R89-D110 PolarHBondContact NH1-OD1 3.48Å; R89-D110 IonicContact NH2-OD1 3.8Å; R89-D110 PolarHBondContact NH2-OD1 3.2Å; R89-S136 PolarHBondContact NH2-OG 3.15Å
90	M	94.3	Very high	83.8	Confident	15 Å²	15	80.7 Å²	80.7	7%	0.074	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	128.7	-177.5	-179.7	177.9	69.1	0	0	110.6	V92 Y109 A112 A121 M122 M125	M90-V92 HydrophobicContact CE-CG2 3.93Å; M90-V92 HydrophobicContact CG-CG2 4.07Å; M90-V92 HydrophobicContact SD-CG2 4.16Å; M90-Y109 HydrophobicContact CE-CD2 3.48Å; M90-Y109 VanDerWaalsContact CE-CD2 3.48Å; M90-Y109 HydrophobicContact CE-CE2 3.74Å; M90-Y109 HydrophobicContact CE-CG 3.92Å; M90-Y109 PolarHBondContact N-O 3.34Å; M90-Y109 PolarHBondContact O-N 3.34Å; M90-A112 HydrophobicContact CB-CB 3.79Å; M90-A112 HydrophobicContact SD-CB 4.39Å; M90-A121 HydrophobicContact CE-CB 4.4Å; M90-A121 HydrophobicContact SD-CB 3.54Å; M90-A121 VanDerWaalsContact SD-CB 3.54Å; M90-M122 HydrophobicContact CE-CG 4.5Å; M90-M125 HydrophobicContact CE-CG 4Å
91	I	93.5	Very high	83.1	Confident	101 Å²	101	81.5 Å²	81.5	52%	0.518	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	122.4	175.4	-58.2	174.5	0	0	0	108	T106 T108 Q118	I91-T106 HydrophobicContact CG2-CG2 3.41Å; I91-T106 VanDerWaalsContact CG2-CG2 3.41Å; I91-T108 HydrophobicContact CG1-CG2 4.2Å; I91-Q118 PolarHBondContact O-NE2 2.9Å
92	V	90.9	Very high	82.4	Confident	4 Å²	4	83 Å²	83	2%	0.024	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	121.9	178.6	-177.7	0	0	0	0	108.6	M90 T106 T107 Y109 M122	M90-V92 HydrophobicContact CE-CG2 3.93Å; M90-V92 HydrophobicContact CG-CG2 4.07Å; M90-V92 HydrophobicContact SD-CG2 4.16Å; V92-T106 CarbonylContact O-C 3.57Å; V92-T106 WeakPolarHBondContact O-CA 3.29Å; V92-T107 PolarHBondContact N-O 3.37Å; V92-T107 PolarHBondContact O-N 2.88Å; V92-Y109 HydrophobicContact CG2-CD2 4.35Å; V92-Y109 HydrophobicContact CG2-CE2 4.02Å; V92-M122 HydrophobicContact CG1-CE 3.94Å; V92-M122 HydrophobicContact CG1-SD 3.76Å; V92-M122 HydrophobicContact CG2-CG 4.08Å; V92-M122 HydrophobicContact CG2-SD 4.17Å
93	T	87.6	Confident	81.9	Confident	67 Å²	67	83.9 Å²	83.9	41%	0.411	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	108.1	177.1	-58.5	0	0	0	0	109	F104 N105 T106	T93-F104 HydrophobicContact CG2-CB 3.69Å; T93-F104 HydrophobicContact CG2-CD1 3.9Å; T93-F104 HydrophobicContact CG2-CG 4.13Å; T93-N105 WeakPolarHBondContact CA-O 3.28Å; T93-T106 PolarHBondContact OG1-OG1 3.06Å
94	N	79.5	Confident	81.2	Confident	77 Å²	77	88.4 Å²	88.4	41%	0.412	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	121.9	177.6	-75.6	-17.2	0	0	0	109.7	V96 N105	N94-V96 PolarHBondContact O-N 3.02Å; N94-N105 PolarHBondContact N-O 2.9Å; N94-N105 PolarHBondContact O-N 3.4Å
95	P	77.1	Confident	80.6	Confident	90 Å²	90	90.7 Å²	90.7	58%	0.584	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.6	125.7	174.4	27.9	-32	0	0	0	109.5	V97 F104	P95-V97 PolarHBondContact O-N 3.44Å; P95-F104 HydrophobicContact CB-CD1 4.29Å; P95-F104 HydrophobicContact CB-CE1 4.23Å
96	V	73.1	Confident	80.3	Confident	67 Å²	67	93.5 Å²	93.5	41%	0.406	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	103.8	171.2	-177	0	0	0	0	106.9	N94 S98 T103 N105	N94-V96 PolarHBondContact O-N 3.02Å; V96-S98 VanDerWaalsContact C-N 3.32Å; V96-S98 PolarHBondContact O-N 3Å; V96-T103 WeakPolarHBondContact CA-O 3.08Å; V96-T103 WeakPolarHBondContact CB-O 3.36Å; V96-T103 WeakPolarHBondContact CB-OG1 3.46Å; V96-T103 PolarHBondContact N-O 3.48Å; V96-N105 HydrophobicContact CG2-CB 4.16Å
97	V	60.7	Low	80.2	Confident	141 Å²	141	89.5 Å²	89.5	86%	0.855	46%	0.464	S	S	*	.			trans	-74.8	87.1	-179.9	-173.3	0	0	0	0	109	P95	P95-V97 PolarHBondContact O-N 3.44Å
98	S	66.5	Low	80.3	Confident	63 Å²	63	90.1 Å²	90.1	44%	0.441	47%	0.471	S	S	.	.			trans	-101.4	136.1	164.3	171.7	0	0	0	0	109.7	V96 K100 D101	V96-S98 VanDerWaalsContact C-N 3.32Å; V96-S98 PolarHBondContact O-N 3Å; S98-K100 PolarHBondContact O-N 3.43Å; S98-K100 VanDerWaalsContact O-N 3.1Å; S98-D101 WeakPolarHBondContact CB-O 3.3Å
99	R	63.1	Low	80.4	Confident	255 Å²	255	88.9 Å²	88.9	96%	0.962	46%	0.462	S	S	*	.	S	Bend	trans	-64.2	-12.6	-178.8	-66.4	-170.8	-170.7	177.9	3.5	114.1
100	K	68.5	Low	80.5	Confident	205 Å²	205	85.5 Å²	85.5	89%	0.891	45%	0.451	S	S	*	.	S	Bend	trans	-118.3	-17.6	-174.7	-84.9	-174.2	173.9	-177.6	0	115	S98	S98-K100 PolarHBondContact O-N 3.43Å; S98-K100 VanDerWaalsContact O-N 3.1Å
101	D	64	Low	80.5	Confident	105 Å²	105	85.3 Å²	85.3	56%	0.561	45%	0.45	S	S	*	.			trans	-160.1	111.1	-179.9	-150.7	-8.7	0	0	0	110.2	S98 T103	S98-D101 WeakPolarHBondContact CB-O 3.3Å; D101-T103 PolarHBondContact O-N 3.36Å
102	P	66.1	Low	80.7	Confident	96 Å²	96	80.5 Å²	80.5	62%	0.623	43%	0.425	S	S	*	.			trans	-68.3	103.4	175.8	25.9	-29.1	0	0	0	109.1
103	T	75	Confident	80.9	Confident	69 Å²	69	80.5 Å²	80.5	42%	0.423	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	150.3	172.9	49.6	0	0	0	0	109.4	V96 D101	V96-T103 WeakPolarHBondContact CA-O 3.08Å; V96-T103 WeakPolarHBondContact CB-O 3.36Å; V96-T103 WeakPolarHBondContact CB-OG1 3.46Å; V96-T103 PolarHBondContact N-O 3.48Å; D101-T103 PolarHBondContact O-N 3.36Å
104	F	79.1	Confident	81.1	Confident	139 Å²	139	79.9 Å²	79.9	61%	0.61	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.5	129	179	-62.4	-84.7	0	0	0	108.6	T93 P95	T93-F104 HydrophobicContact CG2-CB 3.69Å; T93-F104 HydrophobicContact CG2-CD1 3.9Å; T93-F104 HydrophobicContact CG2-CG 4.13Å; P95-F104 HydrophobicContact CB-CD1 4.29Å; P95-F104 HydrophobicContact CB-CE1 4.23Å
105	N	83.4	Confident	81.5	Confident	94 Å²	94	80.4 Å²	80.4	50%	0.503	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	118.1	170.9	-171.8	7	0	0	0	109	T93 N94 V96	T93-N105 WeakPolarHBondContact CA-O 3.28Å; N94-N105 PolarHBondContact N-O 2.9Å; N94-N105 PolarHBondContact O-N 3.4Å; V96-N105 HydrophobicContact CG2-CB 4.16Å
106	T	89.4	Confident	82.2	Confident	74 Å²	74	77.8 Å²	77.8	45%	0.454	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	117.6	179.2	-61.7	0	0	0	0	110	I91 V92 T93	I91-T106 HydrophobicContact CG2-CG2 3.41Å; I91-T106 VanDerWaalsContact CG2-CG2 3.41Å; V92-T106 CarbonylContact O-C 3.57Å; V92-T106 WeakPolarHBondContact O-CA 3.29Å; T93-T106 PolarHBondContact OG1-OG1 3.06Å
107	T	92.5	Very high	83.1	Confident	35 Å²	35	79.4 Å²	79.4	22%	0.215	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	123.8	172.2	-55.7	0	0	0	0	109.4	V92 Y109 V135	V92-T107 PolarHBondContact N-O 3.37Å; V92-T107 PolarHBondContact O-N 2.88Å; T107-Y109 HydrophobicContact CG2-CD2 4.24Å; T107-Y109 HydrophobicContact CG2-CE2 3.69Å; T107-V135 HydrophobicContact CG2-CG1 3.85Å; T107-V135 HydrophobicContact CG2-CG2 4.27Å
108	T	95.1	Very high	84.6	Confident	39 Å²	39	77.5 Å²	77.5	24%	0.239	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	128.2	175.4	-56.5	0	0	0	0	109.4	I91 V135 S136	I91-T108 HydrophobicContact CG1-CG2 4.2Å; T108-V135 CarbonylContact O-C 3.5Å; T108-V135 WeakPolarHBondContact O-CA 3.3Å; T108-S136 WeakPolarHBondContact CB-OG 3.27Å; T108-S136 VanDerWaalsContact CG2-OG 3.27Å; T108-S136 WeakPolarHBondContact CG2-OG 3.49Å; T108-S136 PolarHBondContact O-N 3.22Å; T108-S136 PolarHBondContact O-OG 2.7Å
109	Y	95.4	Very high	85.8	Confident	32 Å²	32	81.9 Å²	81.9	13%	0.125	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	127.4	169.2	-64.8	-99.9	0	0	0	108.6	M90 V92 T107 W111 M125 P134 V135	M90-Y109 HydrophobicContact CE-CD2 3.48Å; M90-Y109 VanDerWaalsContact CE-CD2 3.48Å; M90-Y109 HydrophobicContact CE-CE2 3.74Å; M90-Y109 HydrophobicContact CE-CG 3.92Å; M90-Y109 PolarHBondContact N-O 3.34Å; M90-Y109 PolarHBondContact O-N 3.34Å; V92-Y109 HydrophobicContact CG2-CD2 4.35Å; V92-Y109 HydrophobicContact CG2-CE2 4.02Å; T107-Y109 HydrophobicContact CG2-CD2 4.24Å; T107-Y109 HydrophobicContact CG2-CE2 3.69Å; Y109-W111 PolarHBondContact O-N 3.07Å; Y109-M125 HydrophobicContact CD1-CE 4.3Å; Y109-M125 HydrophobicContact CD1-CG 4.03Å; Y109-M125 HydrophobicContact CD1-SD 3.94Å; Y109-M125 HydrophobicContact CE1-CB 3.99Å; Y109-M125 HydrophobicContact CE1-CG 3.78Å; Y109-M125 HydrophobicContact CE1-SD 4.09Å; Y109-P134 CarbonylContact C-O 3.56Å; Y109-P134 VanDerWaalsContact CA-O 3.28Å; Y109-P134 WeakPolarHBondContact CA-O 3.46Å; Y109-P134 HydrophobicContact CD1-CG 4.38Å; Y109-V135 HydrophobicContact CD1-CG2 3.87Å; Y109-V135 HydrophobicContact CE1-CG2 3.55Å
110	D	94.7	Very high	87.4	Confident	27 Å²	27	70.5 Å²	70.5	14%	0.144	39%	0.389	C	S	.	.	S	Bend	trans	-66.7	-21.1	178	-72.7	-27.4	0	0	0	112.1	R87 R89 P134 S136 A141	R87-D110 WeakPolarHBondContact CD-O 3.07Å; R89-D110 WeakPolarHBondContact CG-O 3.35Å; R89-D110 IonicContact CZ-OD1 3.27Å; R89-D110 VanDerWaalsContact CZ-OD1 3.25Å; R89-D110 IonicContact NH1-OD1 3.15Å; R89-D110 PolarHBondContact NH1-OD1 3.48Å; R89-D110 IonicContact NH2-OD1 3.8Å; R89-D110 PolarHBondContact NH2-OD1 3.2Å; D110-P134 PolarHBondContact N-O 3.21Å; D110-S136 WeakPolarHBondContact OD1-CB 3.27Å; D110-S136 PolarHBondContact OD1-OG 3.18Å; D110-A141 VanDerWaalsContact OD2-CB 3.27Å; D110-A141 WeakPolarHBondContact OD2-CB 3.48Å
111	W	96.1	Very high	88.6	Confident	12 Å²	12	60.9 Å²	60.9	5%	0.045	35%	0.348	C	S	.	.			trans	-151.8	145.1	175.2	178.4	90.3	0	0	0	111.6	Y85 N88 Y109 P113 Y124 M125 P134 R144 D291 L292	Y85-W111 PolarHBondContact OH-NE1 2.89Å; N88-W111 CarbonylContact O-C 3.49Å; N88-W111 WeakPolarHBondContact O-CA 3.27Å; Y109-W111 PolarHBondContact O-N 3.07Å; W111-P113 HydrophobicContact CH2-CB 4.34Å; W111-P113 HydrophobicContact CH2-CG 3.79Å; W111-P113 HydrophobicContact CZ3-CG 4.16Å; W111-Y124 HydrophobicContact CZ3-CE1 4.17Å; W111-M125 HydrophobicContact CE3-CE 4.39Å; W111-M125 WeakPolarHBondContact O-CE 3.5Å; W111-P134 VanDerWaalsContact O-CG 3.29Å; W111-P134 WeakPolarHBondContact O-CG 3.44Å; W111-R144 VanDerWaalsContact CD1-NH2 3.27Å; W111-D291 VanDerWaalsContact CD1-CG 3.49Å; W111-D291 VanDerWaalsContact CZ2-CA 3.48Å; W111-D291 HydrophobicContact CZ2-CB 4.1Å; W111-D291 PolarHBondContact NE1-OD1 2.95Å; W111-L292 HydrophobicContact CH2-CD1 3.9Å; W111-L292 HydrophobicContact CH2-CG 3.74Å; W111-L292 HydrophobicContact CZ2-CD1 4.3Å; W111-L292 HydrophobicContact CZ2-CG 4.13Å
112	A	96.4	Very high	90.1	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	33%	0.333	C	S	.	.			trans	-142.5	156.7	167.7	0	0	0	0	0	110.8	N88 M90 M125	N88-A112 WeakPolarHBondContact CB-O 3.44Å; N88-A112 PolarHBondContact O-N 2.93Å; M90-A112 HydrophobicContact CB-CB 3.79Å; M90-A112 HydrophobicContact SD-CB 4.39Å; A112-M125 VanDerWaalsContact CA-CE 3.47Å; A112-M125 HydrophobicContact CB-CE 3.63Å
113	P	96.2	Very high	91.6	Very high	3 Å²	3	56.7 Å²	56.7	2%	0.019	32%	0.317	C	S	.	.			trans	-55.6	142.8	173.9	-21.3	30.5	0	0	0	111.6	N88 W111 L116 Y124 V191 L292	N88-P113 PolarHBondContact ND2-O 2.57Å; W111-P113 HydrophobicContact CH2-CB 4.34Å; W111-P113 HydrophobicContact CH2-CG 3.79Å; W111-P113 HydrophobicContact CZ3-CG 4.16Å; P113-L116 HydrophobicContact CB-CD1 3.73Å; P113-L116 HydrophobicContact CB-CG 4.16Å; P113-L116 HydrophobicContact CG-CD1 4.04Å; P113-Y124 HydrophobicContact CG-CD1 3.62Å; P113-Y124 HydrophobicContact CG-CD2 4.27Å; P113-Y124 HydrophobicContact CG-CE1 3.63Å; P113-Y124 HydrophobicContact CG-CE2 4.27Å; P113-Y124 HydrophobicContact CG-CG 3.97Å; P113-V191 HydrophobicContact CB-CB 4.07Å; P113-V191 HydrophobicContact CB-CG2 3.68Å; P113-V191 HydrophobicContact CG-CB 4.41Å; P113-V191 HydrophobicContact CG-CG2 3.75Å; P113-L292 HydrophobicContact CB-CD1 4.25Å; P113-L292 HydrophobicContact CG-CD1 4.33Å
114	A	91.6	Very high	92.6	Very high	54 Å²	54	53.8 Å²	53.8	45%	0.446	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	154.5	178.9	0	0	0	0	0	111.3	L72 L116	L72-A114 HydrophobicContact CD2-CB 4.11Å; A114-L116 VanDerWaalsContact C-N 3.29Å; A114-L116 PolarHBondContact O-N 3.35Å
115	G	87.3	Confident	93.5	Very high	89 Å²	89	47.2 Å²	47.2	92%	0.918	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.4	3.5	172	0	0	0	0	0	115.9
116	L	92.4	Very high	94.1	Very high	34 Å²	34	48.4 Å²	48.4	18%	0.178	27%	0.272	C	S	.	.			trans	-93	149.3	178.8	-54.9	-171.5	0	0	0	112.6	P113 A114 L120 A121 V191	P113-L116 HydrophobicContact CB-CD1 3.73Å; P113-L116 HydrophobicContact CB-CG 4.16Å; P113-L116 HydrophobicContact CG-CD1 4.04Å; A114-L116 VanDerWaalsContact C-N 3.29Å; A114-L116 PolarHBondContact O-N 3.35Å; L116-L120 HydrophobicContact CD1-CG 4.48Å; L116-L120 HydrophobicContact CD2-CD2 3.9Å; L116-L120 HydrophobicContact CD2-CG 4.45Å; L116-A121 HydrophobicContact CB-CB 4.11Å; L116-A121 HydrophobicContact CD1-CB 4.13Å; L116-V191 HydrophobicContact CD1-CB 3.88Å; L116-V191 HydrophobicContact CD1-CG1 3.68Å; L116-V191 HydrophobicContact CD2-CB 3.98Å; L116-V191 HydrophobicContact CD2-CG1 4.12Å; L116-V191 VanDerWaalsContact CD2-O 3.24Å; L116-V191 WeakPolarHBondContact CD2-O 3.31Å; L116-V191 HydrophobicContact CG-CB 4.37Å
117	N	92.5	Very high	94.5	Very high	102 Å²	102	48.2 Å²	48.2	55%	0.545	27%	0.268	S	S	.	.			trans	-72.6	161.2	159.8	68.6	54.5	0	0	0	110.6	K119 L120 A121	N117-K119 VanDerWaalsContact C-N 3.31Å; N117-K119 PolarHBondContact O-N 2.79Å; N117-K119 PolarHBondContact OD1-N 3.19Å; N117-L120 PolarHBondContact O-N 3.28Å; N117-L120 WeakPolarHBondContact OD1-CB 3.45Å; N117-L120 PolarHBondContact OD1-N 3.4Å; N117-A121 WeakPolarHBondContact O-CB 3.34Å; N117-A121 PolarHBondContact O-N 2.99Å
118	Q	90.5	Very high	94.6	Very high	101 Å²	101	47.5 Å²	47.5	47%	0.472	26%	0.263	S	S	.	.	H	α-helix	trans	-59.7	-39.1	-175	-171.2	176.5	21.5	0	0	113	I91 A121 M122	I91-Q118 PolarHBondContact O-NE2 2.9Å; Q118-A121 PolarHBondContact O-N 2.79Å; Q118-M122 HydrophobicContact CG-CG 4.45Å; Q118-M122 HydrophobicContact CG-SD 4.1Å; Q118-M122 WeakPolarHBondContact O-CB 3.47Å; Q118-M122 VanDerWaalsContact O-CG 3.25Å; Q118-M122 WeakPolarHBondContact O-CG 3.4Å; Q118-M122 PolarHBondContact O-N 2.7Å
119	K	92.9	Very high	94.6	Very high	154 Å²	154	48.2 Å²	48.2	67%	0.67	27%	0.268	S	S	*	.	H	α-helix	trans	-60.8	-50.2	-180	-176.7	-173.3	176.5	-173.2	0	111.2	N117 M122 Q123	N117-K119 VanDerWaalsContact C-N 3.31Å; N117-K119 PolarHBondContact O-N 2.79Å; N117-K119 PolarHBondContact OD1-N 3.19Å; K119-M122 PolarHBondContact O-N 3.45Å; K119-Q123 WeakPolarHBondContact O-CG 3.31Å; K119-Q123 PolarHBondContact O-N 2.88Å
120	L	95.3	Very high	94.5	Very high	17 Å²	17	54 Å²	54	9%	0.089	30%	0.296	C	S	.	.	H	α-helix	trans	-69.2	-36.8	-178.3	-170.8	63.1	0	0	0	111.6	L116 N117 Q123 Y124 L193 P261	L116-L120 HydrophobicContact CD1-CG 4.48Å; L116-L120 HydrophobicContact CD2-CD2 3.9Å; L116-L120 HydrophobicContact CD2-CG 4.45Å; N117-L120 PolarHBondContact O-N 3.28Å; N117-L120 WeakPolarHBondContact OD1-CB 3.45Å; N117-L120 PolarHBondContact OD1-N 3.4Å; L120-Q123 PolarHBondContact O-N 3.26Å; L120-Y124 WeakPolarHBondContact O-CB 3.24Å; L120-Y124 PolarHBondContact O-N 3.28Å; L120-L193 HydrophobicContact CD1-CD2 3.76Å; L120-L193 HydrophobicContact CD1-CG 4.14Å; L120-P261 HydrophobicContact CD1-CB 4.25Å; L120-P261 HydrophobicContact CD1-CG 3.79Å
121	A	95.4	Very high	94.3	Very high	3 Å²	3	56.2 Å²	56.2	3%	0.025	31%	0.314	C	S	.	.	H	α-helix	trans	-63	-39.8	173.3	0	0	0	0	0	112.3	M90 L116 N117 Q118 Y124 M125	M90-A121 HydrophobicContact CE-CB 4.4Å; M90-A121 HydrophobicContact SD-CB 3.54Å; M90-A121 VanDerWaalsContact SD-CB 3.54Å; L116-A121 HydrophobicContact CB-CB 4.11Å; L116-A121 HydrophobicContact CD1-CB 4.13Å; N117-A121 WeakPolarHBondContact O-CB 3.34Å; N117-A121 PolarHBondContact O-N 2.99Å; Q118-A121 PolarHBondContact O-N 2.79Å; A121-Y124 WeakPolarHBondContact O-CB 3.25Å; A121-Y124 PolarHBondContact O-N 3.14Å; A121-M125 WeakPolarHBondContact O-CG 3.33Å; A121-M125 PolarHBondContact O-N 2.84Å
122	M	94.8	Very high	94.2	Very high	51 Å²	51	59.7 Å²	59.7	25%	0.251	33%	0.331	S	S	.	.	H	α-helix	trans	-64.6	-46.7	174.4	-73.5	175.8	64.3	0	0	111.9	M90 V92 Q118 K119 Y124 M125 E126	M90-M122 HydrophobicContact CE-CG 4.5Å; V92-M122 HydrophobicContact CG1-CE 3.94Å; V92-M122 HydrophobicContact CG1-SD 3.76Å; V92-M122 HydrophobicContact CG2-CG 4.08Å; V92-M122 HydrophobicContact CG2-SD 4.17Å; Q118-M122 HydrophobicContact CG-CG 4.45Å; Q118-M122 HydrophobicContact CG-SD 4.1Å; Q118-M122 WeakPolarHBondContact O-CB 3.47Å; Q118-M122 VanDerWaalsContact O-CG 3.25Å; Q118-M122 WeakPolarHBondContact O-CG 3.4Å; Q118-M122 PolarHBondContact O-N 2.7Å; K119-M122 PolarHBondContact O-N 3.45Å; M122-Y124 VanDerWaalsContact C-N 3.25Å; M122-Y124 PolarHBondContact O-N 3.46Å; M122-M125 PolarHBondContact O-N 3.27Å; M122-M125 VanDerWaalsContact O-N 3.07Å; M122-E126 WeakPolarHBondContact O-CG 3.41Å; M122-E126 PolarHBondContact O-N 3.08Å
123	Q	96.8	Very high	94.1	Very high	61 Å²	61	62.2 Å²	62.2	29%	0.285	34%	0.34	S	S	.	.	H	α-helix	trans	-57.2	-40.6	174.9	-71.8	177.3	-41.8	0	0	111.7	K119 L120 E126 L127 P261	K119-Q123 WeakPolarHBondContact O-CG 3.31Å; K119-Q123 PolarHBondContact O-N 2.88Å; L120-Q123 PolarHBondContact O-N 3.26Å; Q123-E126 PolarHBondContact O-N 3.05Å; Q123-L127 WeakPolarHBondContact O-CG 3.49Å; Q123-L127 PolarHBondContact O-N 3.18Å; Q123-P261 HydrophobicContact CB-CG 3.69Å
124	Y	97.8	Very high	94.1	Very high	9 Å²	9	62.2 Å²	62.2	4%	0.035	34%	0.341	C	S	.	.	H	α-helix	trans	-60.9	-46.5	174.7	174.5	-86.5	0	0	0	111.7	W111 P113 L120 A121 M122 E126 L127 L128 V191 P261 V263 P277	W111-Y124 HydrophobicContact CZ3-CE1 4.17Å; P113-Y124 HydrophobicContact CG-CD1 3.62Å; P113-Y124 HydrophobicContact CG-CD2 4.27Å; P113-Y124 HydrophobicContact CG-CE1 3.63Å; P113-Y124 HydrophobicContact CG-CE2 4.27Å; P113-Y124 HydrophobicContact CG-CG 3.97Å; L120-Y124 WeakPolarHBondContact O-CB 3.24Å; L120-Y124 PolarHBondContact O-N 3.28Å; A121-Y124 WeakPolarHBondContact O-CB 3.25Å; A121-Y124 PolarHBondContact O-N 3.14Å; M122-Y124 VanDerWaalsContact C-N 3.25Å; M122-Y124 PolarHBondContact O-N 3.46Å; Y124-E126 VanDerWaalsContact C-N 3.3Å; Y124-E126 PolarHBondContact O-N 3.34Å; Y124-L127 PolarHBondContact O-N 2.97Å; Y124-L128 HydrophobicContact CD1-CD1 4.5Å; Y124-L128 HydrophobicContact CE1-CD1 3.87Å; Y124-L128 HydrophobicContact CE1-CG 4.33Å; Y124-V191 HydrophobicContact CD2-CB 4.5Å; Y124-V191 HydrophobicContact CD2-CG1 3.82Å; Y124-V191 HydrophobicContact CD2-CG2 3.82Å; Y124-V191 HydrophobicContact CE2-CG2 3.71Å; Y124-V191 HydrophobicContact CG-CG1 4.45Å; Y124-P261 HydrophobicContact CD2-CB 4.47Å; Y124-V263 HydrophobicContact CE2-CG2 4.09Å; Y124-P277 HydrophobicContact CD2-CB 4Å; Y124-P277 HydrophobicContact CD2-CG 3.67Å; Y124-P277 HydrophobicContact CE2-CB 3.56Å; Y124-P277 HydrophobicContact CE2-CG 3.68Å
125	M	96.9	Very high	94.3	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-63.5	-35.8	178.9	-68.4	-60.2	171.8	0	0	112.6	M90 Y109 W111 A112 A121 M122 L127 L128 R133 P134	M90-M125 HydrophobicContact CE-CG 4Å; Y109-M125 HydrophobicContact CD1-CE 4.3Å; Y109-M125 HydrophobicContact CD1-CG 4.03Å; Y109-M125 HydrophobicContact CD1-SD 3.94Å; Y109-M125 HydrophobicContact CE1-CB 3.99Å; Y109-M125 HydrophobicContact CE1-CG 3.78Å; Y109-M125 HydrophobicContact CE1-SD 4.09Å; W111-M125 HydrophobicContact CE3-CE 4.39Å; W111-M125 WeakPolarHBondContact O-CE 3.5Å; A112-M125 VanDerWaalsContact CA-CE 3.47Å; A112-M125 HydrophobicContact CB-CE 3.63Å; A121-M125 WeakPolarHBondContact O-CG 3.33Å; A121-M125 PolarHBondContact O-N 2.84Å; M122-M125 PolarHBondContact O-N 3.27Å; M122-M125 VanDerWaalsContact O-N 3.07Å; M125-L127 VanDerWaalsContact C-N 3.28Å; M125-L127 PolarHBondContact O-N 2.99Å; M125-L128 WeakPolarHBondContact O-CB 3.36Å; M125-L128 PolarHBondContact O-N 3.3Å; M125-L128 HydrophobicContact SD-CD1 4.11Å; M125-R133 PolarHBondContact O-NE 3.18Å; M125-P134 HydrophobicContact CE-CG 4.26Å; M125-P134 HydrophobicContact SD-CG 4.27Å
126	E	96.1	Very high	94.6	Very high	119 Å²	119	58.8 Å²	58.8	56%	0.556	30%	0.298	S	S	*	.	H	α-helix	trans	-64.7	-31.8	177.8	-73.9	169.2	-176	0	0	112.6	M122 Q123 Y124 L128 R133	M122-E126 WeakPolarHBondContact O-CG 3.41Å; M122-E126 PolarHBondContact O-N 3.08Å; Q123-E126 PolarHBondContact O-N 3.05Å; Y124-E126 VanDerWaalsContact C-N 3.3Å; Y124-E126 PolarHBondContact O-N 3.34Å; E126-L128 VanDerWaalsContact C-N 3.26Å; E126-L128 PolarHBondContact O-N 3.18Å; E126-R133 PolarHBondContact O-NH2 2.77Å
127	L	97.1	Very high	94.5	Very high	69 Å²	69	61.1 Å²	61.1	36%	0.361	33%	0.33	S	S	.	.	H	α-helix	trans	-72	-17.6	175.8	-67.4	172.1	0	0	0	113.5	Q123 Y124 M125 P261 P277 T278	Q123-L127 WeakPolarHBondContact O-CG 3.49Å; Q123-L127 PolarHBondContact O-N 3.18Å; Y124-L127 PolarHBondContact O-N 2.97Å; M125-L127 VanDerWaalsContact C-N 3.28Å; M125-L127 PolarHBondContact O-N 2.99Å; L127-P261 HydrophobicContact CD1-CB 4.24Å; L127-P261 HydrophobicContact CD1-CG 4.05Å; L127-P277 HydrophobicContact CB-CB 4.33Å; L127-P277 HydrophobicContact CB-CG 4.1Å; L127-P277 HydrophobicContact CD1-CG 3.73Å; L127-T278 VanDerWaalsContact O-CG2 3.27Å; L127-T278 WeakPolarHBondContact O-CG2 3.42Å
128	L	96.3	Very high	94.5	Very high	21 Å²	21	58.6 Å²	58.6	11%	0.11	32%	0.319	C	S	.	.	S	Bend	trans	-81.5	144	174.8	-58.3	-179.3	0	0	0	110.8	Y124 M125 E126 E130 R133 P277	Y124-L128 HydrophobicContact CD1-CD1 4.5Å; Y124-L128 HydrophobicContact CE1-CD1 3.87Å; Y124-L128 HydrophobicContact CE1-CG 4.33Å; M125-L128 WeakPolarHBondContact O-CB 3.36Å; M125-L128 PolarHBondContact O-N 3.3Å; M125-L128 HydrophobicContact SD-CD1 4.11Å; E126-L128 VanDerWaalsContact C-N 3.26Å; E126-L128 PolarHBondContact O-N 3.18Å; L128-E130 PolarHBondContact O-N 2.87Å; L128-R133 HydrophobicContact CB-CG 4.12Å; L128-R133 PolarHBondContact O-NE 2.96Å; L128-R133 PolarHBondContact O-NH2 2.83Å; L128-P277 HydrophobicContact CD2-CB 3.96Å
129	P	94.8	Very high	94.4	Very high	54 Å²	54	58.8 Å²	58.8	35%	0.351	33%	0.329	S	S	.	.			trans	-54.4	139.7	170.4	-23.7	33.3	0	0	0	111.2	S131 Q132 R133	P129-S131 PolarHBondContact O-N 3.41Å; P129-S131 VanDerWaalsContact O-N 3.15Å; P129-Q132 HydrophobicContact CB-CB 4.41Å; P129-Q132 HydrophobicContact CB-CG 4.23Å; P129-Q132 HydrophobicContact CG-CG 4.43Å; P129-Q132 WeakPolarHBondContact O-CA 3.4Å; P129-Q132 PolarHBondContact O-N 2.82Å; P129-R133 PolarHBondContact O-N 2.82Å
130	E	92.4	Very high	94.4	Very high	152 Å²	152	51.5 Å²	51.5	71%	0.71	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-54.8	-39	-176.7	-60.9	-164.1	149.1	0	0	112.8	L128 Q132 R133	L128-E130 PolarHBondContact O-N 2.87Å; E130-Q132 PolarHBondContact O-N 3.2Å; E130-R133 PolarHBondContact O-N 3.21Å; E130-R133 IonicContact OE1-NH1 2.73Å
131	S	91.4	Very high	94.3	Very high	75 Å²	75	51.1 Å²	51.1	52%	0.524	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-66.6	-15.2	178.1	65	0	0	0	0	114	P129 G140 Q143	P129-S131 PolarHBondContact O-N 3.41Å; P129-S131 VanDerWaalsContact O-N 3.15Å; S131-G140 WeakPolarHBondContact O-CA 3.28Å; S131-Q143 PolarHBondContact O-OE1 2.94Å
132	Q	93.2	Very high	94	Very high	85 Å²	85	54.2 Å²	54.2	40%	0.397	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-108.1	-6.5	-178.9	-62.9	-178.6	3.7	0	0	113	P129 E130	P129-Q132 HydrophobicContact CB-CB 4.41Å; P129-Q132 HydrophobicContact CB-CG 4.23Å; P129-Q132 HydrophobicContact CG-CG 4.43Å; P129-Q132 WeakPolarHBondContact O-CA 3.4Å; P129-Q132 PolarHBondContact O-N 2.82Å; E130-Q132 PolarHBondContact O-N 3.2Å
133	R	95.5	Very high	93.8	Very high	52 Å²	52	54.7 Å²	54.7	20%	0.196	31%	0.314	C	S	.	.	S	Bend	trans	-67.9	130.9	179.3	-68	177.6	-171.1	161.7	2.4	109.7	M125 E126 L128 P129 E130 V135 G140	M125-R133 PolarHBondContact O-NE 3.18Å; E126-R133 PolarHBondContact O-NH2 2.77Å; L128-R133 HydrophobicContact CB-CG 4.12Å; L128-R133 PolarHBondContact O-NE 2.96Å; L128-R133 PolarHBondContact O-NH2 2.83Å; P129-R133 PolarHBondContact O-N 2.82Å; E130-R133 PolarHBondContact O-N 3.21Å; E130-R133 IonicContact OE1-NH1 2.73Å; R133-V135 HydrophobicContact CB-CG2 4.2Å; R133-V135 PolarHBondContact O-N 3.28Å; R133-G140 CarbonylContact O-C 3.57Å; R133-G140 VanDerWaalsContact O-CA 3.3Å; R133-G140 WeakPolarHBondContact O-CA 3.34Å
134	P	95.4	Very high	93.6	Very high	4 Å²	4	53 Å²	53	3%	0.026	31%	0.305	C	S	.	.			trans	-81	50.2	-175.6	34.6	-37.3	0	0	0	111.9	Y109 D110 W111 M125 R144	Y109-P134 CarbonylContact C-O 3.56Å; Y109-P134 VanDerWaalsContact CA-O 3.28Å; Y109-P134 WeakPolarHBondContact CA-O 3.46Å; Y109-P134 HydrophobicContact CD1-CG 4.38Å; D110-P134 PolarHBondContact N-O 3.21Å; W111-P134 VanDerWaalsContact O-CG 3.29Å; W111-P134 WeakPolarHBondContact O-CG 3.44Å; M125-P134 HydrophobicContact CE-CG 4.26Å; M125-P134 HydrophobicContact SD-CG 4.27Å; P134-R144 HydrophobicContact CB-CB 4.24Å; P134-R144 HydrophobicContact CB-CG 4.16Å
135	V	95.5	Very high	93.3	Very high	30 Å²	30	53.9 Å²	53.9	18%	0.182	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-74.8	127.5	176.9	179.9	0	0	0	0	109	T107 T108 Y109 R133 G137 T138 A141	T107-V135 HydrophobicContact CG2-CG1 3.85Å; T107-V135 HydrophobicContact CG2-CG2 4.27Å; T108-V135 CarbonylContact O-C 3.5Å; T108-V135 WeakPolarHBondContact O-CA 3.3Å; Y109-V135 HydrophobicContact CD1-CG2 3.87Å; Y109-V135 HydrophobicContact CE1-CG2 3.55Å; R133-V135 HydrophobicContact CB-CG2 4.2Å; R133-V135 PolarHBondContact O-N 3.28Å; V135-G137 PolarHBondContact O-N 2.88Å; V135-T138 HydrophobicContact CB-CG2 3.7Å; V135-T138 HydrophobicContact CG1-CG2 3.73Å; V135-T138 WeakPolarHBondContact O-CB 3.39Å; V135-T138 WeakPolarHBondContact O-CG2 3.1Å; V135-T138 PolarHBondContact O-N 3.29Å; V135-T138 PolarHBondContact O-OG1 3.37Å; V135-A141 WeakPolarHBondContact O-CB 3.49Å
136	S	93.4	Very high	92.9	Very high	40 Å²	40	56.3 Å²	56.3	28%	0.28	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	129.9	-175.8	-58	0	0	0	0	111.7	R89 T108 D110 T138	R89-S136 PolarHBondContact NH2-OG 3.15Å; T108-S136 WeakPolarHBondContact CB-OG 3.27Å; T108-S136 VanDerWaalsContact CG2-OG 3.27Å; T108-S136 WeakPolarHBondContact CG2-OG 3.49Å; T108-S136 PolarHBondContact O-N 3.22Å; T108-S136 PolarHBondContact O-OG 2.7Å; D110-S136 WeakPolarHBondContact OD1-CB 3.27Å; D110-S136 PolarHBondContact OD1-OG 3.18Å; S136-T138 VanDerWaalsContact C-N 3.27Å; S136-T138 PolarHBondContact O-N 2.97Å
137	G	90.3	Very high	92.8	Very high	84 Å²	84	52.3 Å²	52.3	87%	0.866	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	1.9	179.4	0	0	0	0	0	115.4	V135	V135-G137 PolarHBondContact O-N 2.88Å
138	T	92.1	Very high	92.6	Very high	49 Å²	49	49.2 Å²	49.2	30%	0.301	28%	0.282	S	S	.	.	S	Bend	trans	-96.4	162.5	176.5	71.6	0	0	0	0	112.3	V135 S136 G140 A141 L142	V135-T138 HydrophobicContact CB-CG2 3.7Å; V135-T138 HydrophobicContact CG1-CG2 3.73Å; V135-T138 WeakPolarHBondContact O-CB 3.39Å; V135-T138 WeakPolarHBondContact O-CG2 3.1Å; V135-T138 PolarHBondContact O-N 3.29Å; V135-T138 PolarHBondContact O-OG1 3.37Å; S136-T138 VanDerWaalsContact C-N 3.27Å; S136-T138 PolarHBondContact O-N 2.97Å; T138-G140 PolarHBondContact O-N 3.44Å; T138-G140 PolarHBondContact OG1-N 3.28Å; T138-A141 PolarHBondContact O-N 3.15Å; T138-L142 PolarHBondContact O-N 3.02Å
139	P	90.1	Very high	92.4	Very high	105 Å²	105	49.3 Å²	49.3	68%	0.682	28%	0.283	S	S	*	.	H	α-helix	trans	-55.1	-30.8	172	-27.7	36.4	0	0	0	114	L142 Q143	P139-L142 PolarHBondContact O-N 2.87Å; P139-Q143 WeakPolarHBondContact O-CB 3.5Å; P139-Q143 PolarHBondContact O-N 3.33Å
140	G	92.6	Very high	92.3	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.01	28%	0.28	C	S	.	.	H	α-helix	trans	-69.1	-37.3	179.2	0	0	0	0	0	113.6	S131 R133 T138 L142 Q143 R144	S131-G140 WeakPolarHBondContact O-CA 3.28Å; R133-G140 CarbonylContact O-C 3.57Å; R133-G140 VanDerWaalsContact O-CA 3.3Å; R133-G140 WeakPolarHBondContact O-CA 3.34Å; T138-G140 PolarHBondContact O-N 3.44Å; T138-G140 PolarHBondContact OG1-N 3.28Å; G140-L142 VanDerWaalsContact C-N 3.35Å; G140-Q143 PolarHBondContact O-N 2.93Å; G140-R144 WeakPolarHBondContact O-CB 3.44Å; G140-R144 PolarHBondContact O-N 3.49Å
141	A	92.4	Very high	92.5	Very high	8 Å²	8	42.6 Å²	42.6	7%	0.066	25%	0.248	C	C	.	.	H	α-helix	trans	-62.5	-42.9	171	0	0	0	0	0	112	D110 V135 T138 R144 R145	D110-A141 VanDerWaalsContact OD2-CB 3.27Å; D110-A141 WeakPolarHBondContact OD2-CB 3.48Å; V135-A141 WeakPolarHBondContact O-CB 3.49Å; T138-A141 PolarHBondContact O-N 3.15Å; A141-R144 PolarHBondContact O-N 3.27Å; A141-R145 WeakPolarHBondContact O-CB 3.4Å; A141-R145 PolarHBondContact O-N 3.48Å; A141-R145 VanDerWaalsContact O-N 3.07Å
142	L	89.4	Confident	92.6	Very high	68 Å²	68	39.9 Å²	39.9	36%	0.356	23%	0.228	S	C	.	.	H	α-helix	trans	-63.7	-44	175.9	-176.7	62.3	0	0	0	111.6	L19 T138 P139 G140 R145 R146	L19-L142 HydrophobicContact CD1-CD1 3.97Å; L19-L142 HydrophobicContact CD1-CD2 3.89Å; L19-L142 HydrophobicContact CD1-CG 4.05Å; L19-L142 HydrophobicContact CD2-CD2 3.88Å; T138-L142 PolarHBondContact O-N 3.02Å; P139-L142 PolarHBondContact O-N 2.87Å; G140-L142 VanDerWaalsContact C-N 3.35Å; L142-R145 PolarHBondContact O-N 3.14Å; L142-R146 VanDerWaalsContact O-CG 3.3Å; L142-R146 WeakPolarHBondContact O-CG 3.45Å; L142-R146 PolarHBondContact O-N 3.29Å
143	Q	89.9	Confident	92.6	Very high	61 Å²	61	36.1 Å²	36.1	29%	0.285	21%	0.211	S	C	.	.	H	α-helix	trans	-63.1	-46.2	177.3	-176.8	173.5	13.8	0	0	111.9	S131 P139 G140 R145 R146 H147	S131-Q143 PolarHBondContact O-OE1 2.94Å; P139-Q143 WeakPolarHBondContact O-CB 3.5Å; P139-Q143 PolarHBondContact O-N 3.33Å; G140-Q143 PolarHBondContact O-N 2.93Å; Q143-R145 VanDerWaalsContact C-N 3.26Å; Q143-R145 PolarHBondContact O-N 3.24Å; Q143-R146 PolarHBondContact O-N 2.95Å; Q143-H147 PolarHBondContact NE2-NE2 2.96Å; Q143-H147 PolarHBondContact O-N 3.39Å
144	R	93.1	Very high	92.4	Very high	26 Å²	26	35.6 Å²	35.6	10%	0.098	21%	0.213	C	C	.	.	H	α-helix	trans	-54.7	-45.6	175.4	172.8	-99.9	177.9	-160.9	5.4	111	W111 P134 G140 A141 H147 L148 D291	W111-R144 VanDerWaalsContact CD1-NH2 3.27Å; P134-R144 HydrophobicContact CB-CB 4.24Å; P134-R144 HydrophobicContact CB-CG 4.16Å; G140-R144 WeakPolarHBondContact O-CB 3.44Å; G140-R144 PolarHBondContact O-N 3.49Å; A141-R144 PolarHBondContact O-N 3.27Å; R144-H147 PolarHBondContact O-N 3.17Å; R144-L148 PolarHBondContact O-N 2.95Å; R144-D291 IonicContact CZ-OD1 2.73Å; R144-D291 IonicContact CZ-OD2 3.68Å; R144-D291 IonicContact NE-OD1 2.84Å; R144-D291 PolarHBondContact NE-OD1 2.84Å; R144-D291 IonicContact NE-OD2 2.7Å; R144-D291 IonicContact NH2-OD1 3.67Å; R144-D291 PolarHBondContact NH2-OD1 2.84Å; R144-D291 IonicContact NH2-OD2 2.83Å; R144-D291 PolarHBondContact NH2-OD2 3.4Å
145	R	90.6	Very high	92.3	Very high	27 Å²	27	36.8 Å²	36.8	10%	0.102	22%	0.217	C	C	.	.	H	α-helix	trans	-64.5	-45.5	177.5	-174.9	175.8	-176.4	174.9	-2.5	112.8	P50 D51 D56 A141 L142 Q143 H147 L148 L149	P50-R145 VanDerWaalsContact C-NH1 3.34Å; D51-R145 VanDerWaalsContact C-NH2 3.26Å; D51-R145 VanDerWaalsContact CB-NH2 3.32Å; D51-R145 VanDerWaalsContact N-NH2 3.16Å; D51-R145 PolarHBondContact O-NH1 3.48Å; D51-R145 PolarHBondContact O-NH2 3.03Å; D56-R145 IonicContact OD1-NH2 2.74Å; D56-R145 IonicContact OD2-CZ 3.07Å; D56-R145 IonicContact OD2-NE 2.79Å; D56-R145 PolarHBondContact OD2-NE 2.82Å; D56-R145 IonicContact OD2-NH2 2.66Å; D56-R145 PolarHBondContact OD2-NH2 3Å; A141-R145 WeakPolarHBondContact O-CB 3.4Å; A141-R145 PolarHBondContact O-N 3.48Å; A141-R145 VanDerWaalsContact O-N 3.07Å; L142-R145 PolarHBondContact O-N 3.14Å; Q143-R145 VanDerWaalsContact C-N 3.26Å; Q143-R145 PolarHBondContact O-N 3.24Å; R145-H147 VanDerWaalsContact C-N 3.3Å; R145-H147 PolarHBondContact O-N 3.44Å; R145-L148 WeakPolarHBondContact O-CB 3.43Å; R145-L148 PolarHBondContact O-N 3.43Å; R145-L148 VanDerWaalsContact O-N 3.14Å; R145-L149 WeakPolarHBondContact O-CG 3.44Å; R145-L149 PolarHBondContact O-N 3.27Å; R145-L149 VanDerWaalsContact O-N 3.07Å
146	R	90.4	Very high	92.3	Very high	52 Å²	52	35.5 Å²	35.5	20%	0.196	21%	0.21	C	C	.	.	H	α-helix	trans	-57.3	-44.8	175.1	-72.2	165	61.8	62.2	-4.5	111.5	L19 V45 D46 L142 Q143 L148 L149 N150	L19-R146 HydrophobicContact CD1-CG 4.17Å; V45-R146 HydrophobicContact CG1-CB 4.12Å; V45-R146 HydrophobicContact CG1-CG 4.26Å; V45-R146 PolarHBondContact O-NH1 3.14Å; V45-R146 VanDerWaalsContact O-NH1 3.14Å; D46-R146 VanDerWaalsContact CA-NH1 3.28Å; D46-R146 IonicContact OD1-CZ 3.73Å; D46-R146 IonicContact OD1-NH1 3.73Å; D46-R146 PolarHBondContact OD1-NH1 3.17Å; D46-R146 IonicContact OD1-NH2 3.21Å; D46-R146 PolarHBondContact OD1-NH2 3.46Å; L142-R146 VanDerWaalsContact O-CG 3.3Å; L142-R146 WeakPolarHBondContact O-CG 3.45Å; L142-R146 PolarHBondContact O-N 3.29Å; Q143-R146 PolarHBondContact O-N 2.95Å; R146-L148 VanDerWaalsContact C-N 3.34Å; R146-L148 PolarHBondContact O-N 2.66Å; R146-L149 PolarHBondContact O-N 2.79Å; R146-N150 WeakPolarHBondContact O-CB 3.41Å; R146-N150 PolarHBondContact O-N 3.05Å; R146-N150 PolarHBondContact O-ND2 2.69Å
147	H	92.9	Very high	92.3	Very high	35 Å²	35	34.5 Å²	34.5	16%	0.162	20%	0.2	C	C	.	.	H	α-helix	trans	-61.7	-41.5	175.9	-72.9	-26.2	0	0	0	111.9	Q143 R144 R145 L149 N150 Q151 H287 A290	Q143-H147 PolarHBondContact NE2-NE2 2.96Å; Q143-H147 PolarHBondContact O-N 3.39Å; R144-H147 PolarHBondContact O-N 3.17Å; R145-H147 VanDerWaalsContact C-N 3.3Å; R145-H147 PolarHBondContact O-N 3.44Å; H147-L149 PolarHBondContact O-N 3.4Å; H147-N150 PolarHBondContact O-N 3.2Å; H147-Q151 WeakPolarHBondContact O-CB 3.43Å; H147-Q151 WeakPolarHBondContact O-CG 3.28Å; H147-Q151 PolarHBondContact O-N 3.31Å; H147-H287 AromaticContact CE1-CD2 3.56Å; H147-H287 AromaticContact NE2-CD2 3.9Å; H147-A290 HydrophobicContact CB-CB 4.26Å
148	L	93.1	Very high	92.4	Very high	5 Å²	5	31.1 Å²	31.1	3%	0.026	16%	0.163	C	C	.	.	H	α-helix	trans	-56.8	-49.4	175.6	-167.1	72	0	0	0	111.8	M60 R144 R145 R146 L152 A290 D291	M60-L148 HydrophobicContact CE-CD1 4.13Å; M60-L148 HydrophobicContact CG-CD1 4.45Å; M60-L148 HydrophobicContact CG-CD2 4.12Å; M60-L148 HydrophobicContact SD-CD1 3.72Å; M60-L148 HydrophobicContact SD-CD2 4.41Å; M60-L148 HydrophobicContact SD-CG 4.32Å; R144-L148 PolarHBondContact O-N 2.95Å; R145-L148 WeakPolarHBondContact O-CB 3.43Å; R145-L148 PolarHBondContact O-N 3.43Å; R145-L148 VanDerWaalsContact O-N 3.14Å; R146-L148 VanDerWaalsContact C-N 3.34Å; R146-L148 PolarHBondContact O-N 2.66Å; L148-L152 HydrophobicContact CD1-CD1 3.87Å; L148-L152 WeakPolarHBondContact O-CB 3.42Å; L148-L152 PolarHBondContact O-N 3.49Å; L148-A290 HydrophobicContact CB-CB 4.06Å; L148-A290 HydrophobicContact CD1-CB 3.77Å; L148-D291 HydrophobicContact CD1-CB 4.4Å
149	L	91.8	Very high	92.5	Very high	23 Å²	23	29.8 Å²	29.8	12%	0.12	16%	0.155	C	C	.	.	H	α-helix	trans	-69	-38.6	-178	-60.8	178.5	0	0	0	112.9	V45 A48 R145 R146 H147 L152	V45-L149 HydrophobicContact CB-CB 4.35Å; V45-L149 HydrophobicContact CG1-CB 3.81Å; V45-L149 HydrophobicContact CG1-CD1 4.25Å; V45-L149 HydrophobicContact CG2-CB 3.59Å; V45-L149 HydrophobicContact CG2-CD1 4.43Å; A48-L149 HydrophobicContact CB-CD1 4.3Å; R145-L149 WeakPolarHBondContact O-CG 3.44Å; R145-L149 PolarHBondContact O-N 3.27Å; R145-L149 VanDerWaalsContact O-N 3.07Å; R146-L149 PolarHBondContact O-N 2.79Å; H147-L149 PolarHBondContact O-N 3.4Å; L149-L152 CarbonylContact O-C 3.59Å
150	N	93.2	Very high	92.6	Very high	56 Å²	56	32.6 Å²	32.6	30%	0.299	16%	0.161	S	C	.	.	H	α-helix	trans	-71.3	-38.4	177.2	-77.3	-21.7	0	0	0	112.4	V45 R146 H147 R305	V45-N150 VanDerWaalsContact CB-OD1 3.26Å; V45-N150 WeakPolarHBondContact CB-OD1 3.44Å; V45-N150 WeakPolarHBondContact CG1-OD1 3.35Å; V45-N150 WeakPolarHBondContact CG2-OD1 3.26Å; R146-N150 WeakPolarHBondContact O-CB 3.41Å; R146-N150 PolarHBondContact O-N 3.05Å; R146-N150 PolarHBondContact O-ND2 2.69Å; H147-N150 PolarHBondContact O-N 3.2Å; N150-R305 VanDerWaalsContact O-CD 3.26Å; N150-R305 WeakPolarHBondContact O-CD 3.45Å
151	Q	96.1	Very high	92.6	Very high	9 Å²	9	38 Å²	38	4%	0.042	18%	0.184	C	C	.	.	H	α-helix	trans	-79.2	-23.9	-178.1	-71.9	-178.1	24.1	0	0	112.7	H147 G288 C303 G304 R305	H147-Q151 WeakPolarHBondContact O-CB 3.43Å; H147-Q151 WeakPolarHBondContact O-CG 3.28Å; H147-Q151 PolarHBondContact O-N 3.31Å; Q151-G288 PolarHBondContact NE2-O 3.42Å; Q151-C303 HydrophobicContact CB-CB 3.82Å; Q151-C303 HydrophobicContact CG-CB 3.64Å; Q151-G304 CarbonylContact O-C 3.47Å; Q151-G304 WeakPolarHBondContact O-CA 3.32Å; Q151-G304 PolarHBondContact O-N 3.49Å; Q151-R305 PolarHBondContact O-N 3.48Å
152	L	93.4	Very high	92.7	Very high	17 Å²	17	38.6 Å²	38.6	9%	0.089	19%	0.188	C	C	.	.	S	Bend	trans	-132.2	63.6	-176.7	-55.9	170.8	0	0	0	111.4	M60 L63 L148 L149 V154 V293 F295	M60-L152 HydrophobicContact CE-CD1 4.45Å; M60-L152 HydrophobicContact SD-CD1 3.59Å; M60-L152 VanDerWaalsContact SD-CD1 3.59Å; L63-L152 HydrophobicContact CD2-CD1 3.64Å; L63-L152 HydrophobicContact CD2-CD2 3.67Å; L63-L152 HydrophobicContact CD2-CG 4.18Å; L148-L152 HydrophobicContact CD1-CD1 3.87Å; L148-L152 WeakPolarHBondContact O-CB 3.42Å; L148-L152 PolarHBondContact O-N 3.49Å; L149-L152 CarbonylContact O-C 3.59Å; L152-V154 PolarHBondContact O-N 3.14Å; L152-V293 HydrophobicContact CD1-CB 4.34Å; L152-V293 HydrophobicContact CD1-CG1 4.19Å; L152-V293 HydrophobicContact CD2-CG1 4.25Å; L152-F295 HydrophobicContact CD2-CE2 3.92Å; L152-F295 HydrophobicContact CD2-CZ 4.47Å
153	P	93.1	Very high	92.9	Very high	7 Å²	7	41 Å²	41	5%	0.045	20%	0.197	C	C	.	.			trans	-59.1	136.4	178.3	-19.4	31.8	0	0	0	111.3	Y155 D156	P153-Y155 HydrophobicContact CB-CD1 4.35Å; P153-Y155 HydrophobicContact CB-CD2 3.95Å; P153-Y155 HydrophobicContact CB-CE1 3.92Å; P153-Y155 HydrophobicContact CB-CE2 3.49Å; P153-Y155 VanDerWaalsContact CB-CE2 3.49Å; P153-Y155 HydrophobicContact CB-CG 4.37Å; P153-Y155 VanDerWaalsContact CB-CZ 3.49Å; P153-Y155 HydrophobicContact CG-CE2 4.28Å; P153-Y155 PolarHBondContact O-N 2.75Å; P153-D156 WeakPolarHBondContact O-CB 3.34Å; P153-D156 PolarHBondContact O-N 3.07Å
154	V	91.5	Very high	93	Very high	41 Å²	41	39.3 Å²	39.3	25%	0.248	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-64.2	-32.7	-176.1	70	0	0	0	0	112.4	R59 L152 D156 Q157 D158 K161	R59-V154 HydrophobicContact CG-CG2 4.43Å; L152-V154 PolarHBondContact O-N 3.14Å; V154-D156 PolarHBondContact O-N 2.66Å; V154-Q157 PolarHBondContact O-N 2.74Å; V154-Q157 VanDerWaalsContact O-N 3.13Å; V154-D158 HydrophobicContact CG2-CB 4.49Å; V154-D158 PolarHBondContact O-N 3.41Å; V154-K161 HydrophobicContact CG1-CB 4.17Å; V154-K161 HydrophobicContact CG1-CG 4.13Å; V154-K161 HydrophobicContact CG2-CG 4.02Å
155	Y	94	Very high	93.1	Very high	28 Å²	28	39.4 Å²	39.4	11%	0.11	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-75.6	-2.9	176.9	47.9	-99	0	0	0	113.5	K35 P153 Q157 C162 M174 D319 E320	K35-Y155 HydrophobicContact CB-CE1 4.4Å; K35-Y155 HydrophobicContact CD-CD1 4.29Å; K35-Y155 HydrophobicContact CD-CE1 4.1Å; K35-Y155 HydrophobicContact CG-CD1 4.38Å; K35-Y155 HydrophobicContact CG-CE1 3.81Å; P153-Y155 HydrophobicContact CB-CD1 4.35Å; P153-Y155 HydrophobicContact CB-CD2 3.95Å; P153-Y155 HydrophobicContact CB-CE1 3.92Å; P153-Y155 HydrophobicContact CB-CE2 3.49Å; P153-Y155 VanDerWaalsContact CB-CE2 3.49Å; P153-Y155 HydrophobicContact CB-CG 4.37Å; P153-Y155 VanDerWaalsContact CB-CZ 3.49Å; P153-Y155 HydrophobicContact CG-CE2 4.28Å; P153-Y155 PolarHBondContact O-N 2.75Å; Y155-Q157 VanDerWaalsContact C-N 3.3Å; Y155-C162 PolarHBondContact O-SG 2.67Å; Y155-M174 WeakPolarHBondContact O-CE 3.47Å; Y155-D319 WeakPolarHBondContact CE2-O 3.48Å; Y155-D319 PolarHBondContact OH-OD2 3.29Å; Y155-E320 HydrophobicContact CD2-CG 4.14Å; Y155-E320 HydrophobicContact CG-CG 4.46Å
156	D	95.6	Very high	93.1	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.016	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-86.7	-7.8	167.3	-69.3	0.9	0	0	0	111.9	P153 V154 M174 R314 L321	P153-D156 WeakPolarHBondContact O-CB 3.34Å; P153-D156 PolarHBondContact O-N 3.07Å; V154-D156 PolarHBondContact O-N 2.66Å; D156-M174 VanDerWaalsContact C-CE 3.44Å; D156-R314 IonicContact OD1-CZ 2.75Å; D156-R314 IonicContact OD1-NH1 3.47Å; D156-R314 PolarHBondContact OD1-NH1 3.31Å; D156-R314 IonicContact OD1-NH2 3.86Å; D156-R314 PolarHBondContact OD1-NH2 3.16Å; D156-R314 IonicContact OD2-CZ 3.02Å; D156-R314 IonicContact OD2-NH1 3.43Å; D156-R314 PolarHBondContact OD2-NH1 2.9Å; D156-R314 IonicContact OD2-NH2 3.56Å; D156-R314 PolarHBondContact OD2-NH2 3.45Å; D156-L321 HydrophobicContact CB-CD1 4.45Å
157	Q	91.8	Very high	93.4	Very high	19 Å²	19	41.2 Å²	41.2	9%	0.089	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128	-27.3	-170	-53.5	179	35.9	0	0	114	L63 V154 Y155 F181	L63-Q157 VanDerWaalsContact CB-OE1 3.23Å; V154-Q157 PolarHBondContact O-N 2.74Å; V154-Q157 VanDerWaalsContact O-N 3.13Å; Y155-Q157 VanDerWaalsContact C-N 3.3Å; Q157-F181 HydrophobicContact CG-CZ 4.33Å
158	D	92.3	Very high	93.5	Very high	14 Å²	14	47.6 Å²	47.6	8%	0.075	26%	0.261	C	S	.	.			trans	-119.7	106.7	-176.6	-170	-10.1	0	0	0	109.7	R62 V154 M160 K161	R62-D158 IonicContact CZ-OD2 3.13Å; R62-D158 IonicContact NE-OD2 3.64Å; R62-D158 IonicContact NH1-OD2 3.29Å; R62-D158 PolarHBondContact NH1-OD2 3.43Å; R62-D158 IonicContact NH2-OD2 3.22Å; R62-D158 PolarHBondContact NH2-OD2 2.84Å; V154-D158 HydrophobicContact CG2-CB 4.49Å; V154-D158 PolarHBondContact O-N 3.41Å; D158-M160 PolarHBondContact O-N 3.29Å; D158-M160 VanDerWaalsContact O-N 3.1Å; D158-M160 WeakPolarHBondContact OD1-CB 3.26Å; D158-M160 PolarHBondContact OD1-N 2.75Å; D158-M160 VanDerWaalsContact OD1-N 3.13Å; D158-K161 HydrophobicContact CB-CB 4.32Å; D158-K161 HydrophobicContact CB-CG 3.83Å; D158-K161 WeakPolarHBondContact O-CB 3.38Å; D158-K161 PolarHBondContact O-N 3.43Å
159	P	94.3	Very high	93.7	Very high	21 Å²	21	53.9 Å²	53.9	14%	0.136	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-54.7	-29.4	178.1	-23.1	30.1	0	0	0	113.3	K161 C162 L165 V171 M174 I175	P159-K161 PolarHBondContact O-N 2.95Å; P159-C162 PolarHBondContact O-N 3.45Å; P159-C162 VanDerWaalsContact O-N 3.16Å; P159-L165 HydrophobicContact CB-CD1 3.75Å; P159-V171 HydrophobicContact CB-CG1 4.03Å; P159-V171 HydrophobicContact CG-CG1 4.47Å; P159-M174 HydrophobicContact CB-SD 3.93Å; P159-M174 HydrophobicContact CG-CB 4.37Å; P159-M174 HydrophobicContact CG-CE 4.4Å; P159-M174 HydrophobicContact CG-CG 4.12Å; P159-M174 HydrophobicContact CG-SD 3.79Å; P159-I175 HydrophobicContact CG-CD1 4.44Å; P159-I175 HydrophobicContact CG-CG1 3.72Å
160	M	92.5	Very high	94	Very high	163 Å²	163	54.3 Å²	54.3	80%	0.803	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-71.6	-7.6	178.3	-58.6	-57.7	-60.1	0	0	113.3	D158	D158-M160 PolarHBondContact O-N 3.29Å; D158-M160 VanDerWaalsContact O-N 3.1Å; D158-M160 WeakPolarHBondContact OD1-CB 3.26Å; D158-M160 PolarHBondContact OD1-N 2.75Å; D158-M160 VanDerWaalsContact OD1-N 3.13Å
161	K	93.2	Very high	94.2	Very high	114 Å²	114	53.9 Å²	53.9	50%	0.496	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-101.3	-7.4	175.4	-59.9	-59.6	-174.9	-178.4	0	112.9	V154 D158 P159	V154-K161 HydrophobicContact CG1-CB 4.17Å; V154-K161 HydrophobicContact CG1-CG 4.13Å; V154-K161 HydrophobicContact CG2-CG 4.02Å; D158-K161 HydrophobicContact CB-CB 4.32Å; D158-K161 HydrophobicContact CB-CG 3.83Å; D158-K161 WeakPolarHBondContact O-CB 3.38Å; D158-K161 PolarHBondContact O-N 3.43Å; P159-K161 PolarHBondContact O-N 2.95Å
162	C	93.9	Very high	94.3	Very high	22 Å²	22	56.3 Å²	56.3	15%	0.149	31%	0.313	C	S	.	.			trans	-85.7	139.9	174.5	-54.6	0	0	0	0	110.1	Y155 P159 L165 M174	Y155-C162 PolarHBondContact O-SG 2.67Å; P159-C162 PolarHBondContact O-N 3.45Å; P159-C162 VanDerWaalsContact O-N 3.16Å; C162-L165 HydrophobicContact CB-CB 4.49Å; C162-L165 HydrophobicContact CB-CD1 3.64Å; C162-L165 HydrophobicContact CB-CG 3.64Å; C162-M174 VanDerWaalsContact SG-SD 3.68Å
163	Q	93.1	Very high	94.5	Very high	118 Å²	118	57 Å²	57	55%	0.551	32%	0.321	S	S	*	.	S	Bend	trans	-99.1	-19.3	171.2	-64.5	-178.6	18.8	0	0	111.9	S32 W33 E320	S32-Q163 PolarHBondContact O-NE2 3.5Å; S32-Q163 PolarHBondContact O-OE1 3.35Å; S32-Q163 VanDerWaalsContact O-OE1 3.04Å; W33-Q163 VanDerWaalsContact CA-OE1 3.31Å; Q163-E320 PolarHBondContact N-OE1 2.89Å; Q163-E320 PolarHBondContact N-OE2 2.91Å
164	S	93	Very high	94.7	Very high	25 Å²	25	56.7 Å²	56.7	18%	0.175	32%	0.319	C	S	.	.	S	Bend	trans	-86.7	-13	-174.8	70.9	0	0	0	0	115.1	G166 E320 H337	S164-G166 PolarHBondContact O-N 3.48Å; S164-E320 WeakPolarHBondContact CB-OE2 3.42Å; S164-E320 PolarHBondContact N-OE2 3.17Å; S164-E320 PolarHBondContact OG-OE2 3.4Å; S164-H337 WeakPolarHBondContact CB-CE1 3.41Å; S164-H337 WeakPolarHBondContact CB-NE2 3.3Å; S164-H337 PolarHBondContact OG-CE1 3.09Å; S164-H337 PolarHBondContact OG-NE2 3.31Å
165	L	94.9	Very high	95	Very high	28 Å²	28	59 Å²	59	15%	0.147	33%	0.329	C	S	.	.			trans	-73.8	107.7	179.2	-58.1	176.9	0	0	0	109.6	P159 C162 E170 V171 M174 F323	P159-L165 HydrophobicContact CB-CD1 3.75Å; C162-L165 HydrophobicContact CB-CB 4.49Å; C162-L165 HydrophobicContact CB-CD1 3.64Å; C162-L165 HydrophobicContact CB-CG 3.64Å; L165-E170 HydrophobicContact CD2-CB 4.08Å; L165-V171 HydrophobicContact CB-CG2 4.04Å; L165-V171 HydrophobicContact CD1-CG2 4.15Å; L165-M174 HydrophobicContact CD1-SD 3.65Å; L165-F323 HydrophobicContact CD2-CB 4.11Å; L165-F323 HydrophobicContact CD2-CD2 3.77Å; L165-F323 HydrophobicContact CD2-CG 4.23Å
166	G	91.3	Very high	95.2	Very high	73 Å²	73	63 Å²	63	75%	0.753	35%	0.352	S	S	*	.			trans	-101.1	-14.6	-172.4	0	0	0	0	0	114.7	S164 E170	S164-G166 PolarHBondContact O-N 3.48Å; G166-E170 PolarHBondContact N-OE2 3Å
167	S	95.6	Very high	95.3	Very high	44 Å²	44	63.7 Å²	63.7	31%	0.308	35%	0.354	S	S	.	.	S	Bend	trans	-132.6	156.2	-177.3	67.2	0	0	0	0	113.3	D169 E170 V171	S167-D169 PolarHBondContact O-N 2.59Å; S167-E170 PolarHBondContact N-OE2 2.84Å; S167-E170 PolarHBondContact O-N 3.17Å; S167-E170 VanDerWaalsContact OG-CD 3.31Å; S167-E170 VanDerWaalsContact OG-CG 3.26Å; S167-E170 WeakPolarHBondContact OG-CG 3.38Å; S167-E170 PolarHBondContact OG-N 3.42Å; S167-V171 WeakPolarHBondContact O-CG2 3.14Å; S167-V171 PolarHBondContact O-N 2.73Å; S167-V171 VanDerWaalsContact O-N 3.11Å
168	E	96.5	Very high	95.6	Very high	170 Å²	170	63.3 Å²	63.3	79%	0.794	35%	0.354	S	S	*	.	H	α-helix	trans	-61.8	-31	175.1	-65.6	-171.8	162.9	0	0	112.4	V171 S172	E168-V171 PolarHBondContact O-N 2.73Å; E168-S172 VanDerWaalsContact O-CB 3.28Å; E168-S172 WeakPolarHBondContact O-CB 3.18Å; E168-S172 PolarHBondContact O-N 3.26Å; E168-S172 PolarHBondContact O-OG 3.15Å
169	D	96.9	Very high	95.9	Very high	136 Å²	136	68.8 Å²	68.8	73%	0.727	38%	0.377	S	S	*	.	H	α-helix	trans	-65.5	-43.3	175.8	-73.1	-15.9	0	0	0	111.4	S167 S172 A173	S167-D169 PolarHBondContact O-N 2.59Å; D169-S172 PolarHBondContact O-N 3.06Å; D169-A173 WeakPolarHBondContact O-CB 3.27Å; D169-A173 PolarHBondContact O-N 3.27Å
170	E	97.4	Very high	96	Very high	32 Å²	32	72 Å²	72	15%	0.15	39%	0.39	C	S	.	.	H	α-helix	trans	-65.8	-42.8	176.5	-73.3	164.8	-164.8	0	0	111.6	L165 G166 S167 S172 A173 M174 F323 C324	L165-E170 HydrophobicContact CD2-CB 4.08Å; G166-E170 PolarHBondContact N-OE2 3Å; S167-E170 PolarHBondContact N-OE2 2.84Å; S167-E170 PolarHBondContact O-N 3.17Å; S167-E170 VanDerWaalsContact OG-CD 3.31Å; S167-E170 VanDerWaalsContact OG-CG 3.26Å; S167-E170 WeakPolarHBondContact OG-CG 3.38Å; S167-E170 PolarHBondContact OG-N 3.42Å; E170-S172 VanDerWaalsContact C-N 3.33Å; E170-S172 PolarHBondContact O-N 3.07Å; E170-A173 PolarHBondContact O-N 3.39Å; E170-M174 PolarHBondContact O-N 2.95Å; E170-F323 HydrophobicContact CB-CB 4.07Å; E170-F323 HydrophobicContact CG-CB 4.09Å; E170-C324 HydrophobicContact CG-CB 4.49Å; E170-C324 WeakPolarHBondContact OE1-CA 3.41Å; E170-C324 WeakPolarHBondContact OE1-CB 3.42Å
171	V	97.8	Very high	96.2	Very high	47 Å²	47	64.2 Å²	64.2	29%	0.285	35%	0.352	S	S	.	.	H	α-helix	trans	-60.4	-45.6	174.2	172.6	0	0	0	0	110.5	P159 L165 S167 E168 M174 I175	P159-V171 HydrophobicContact CB-CG1 4.03Å; P159-V171 HydrophobicContact CG-CG1 4.47Å; L165-V171 HydrophobicContact CB-CG2 4.04Å; L165-V171 HydrophobicContact CD1-CG2 4.15Å; S167-V171 WeakPolarHBondContact O-CG2 3.14Å; S167-V171 PolarHBondContact O-N 2.73Å; S167-V171 VanDerWaalsContact O-N 3.11Å; E168-V171 PolarHBondContact O-N 2.73Å; V171-M174 PolarHBondContact O-N 3.32Å; V171-I175 HydrophobicContact CG1-CD1 3.89Å; V171-I175 VanDerWaalsContact O-CG1 3.31Å; V171-I175 WeakPolarHBondContact O-CG1 3.33Å; V171-I175 PolarHBondContact O-N 2.85Å
172	S	97.9	Very high	96.4	Very high	60 Å²	60	59.9 Å²	59.9	42%	0.42	33%	0.333	S	S	.	.	H	α-helix	trans	-63.8	-42.3	178.4	-62.5	0	0	0	0	111.9	E168 D169 E170 M174 I175 L176	E168-S172 VanDerWaalsContact O-CB 3.28Å; E168-S172 WeakPolarHBondContact O-CB 3.18Å; E168-S172 PolarHBondContact O-N 3.26Å; E168-S172 PolarHBondContact O-OG 3.15Å; D169-S172 PolarHBondContact O-N 3.06Å; E170-S172 VanDerWaalsContact C-N 3.33Å; E170-S172 PolarHBondContact O-N 3.07Å; S172-M174 VanDerWaalsContact C-N 3.34Å; S172-M174 PolarHBondContact O-N 3.34Å; S172-I175 PolarHBondContact O-N 2.94Å; S172-L176 WeakPolarHBondContact O-CB 3.29Å; S172-L176 WeakPolarHBondContact O-CG 3.43Å; S172-L176 PolarHBondContact O-N 3.46Å
173	A	97.9	Very high	96.6	Very high	32 Å²	32	62.6 Å²	62.6	26%	0.264	35%	0.345	S	S	.	.	H	α-helix	trans	-59.7	-44	175.6	0	0	0	0	0	111.5	D169 E170 L176 F177 F323	D169-A173 WeakPolarHBondContact O-CB 3.27Å; D169-A173 PolarHBondContact O-N 3.27Å; E170-A173 PolarHBondContact O-N 3.39Å; A173-L176 PolarHBondContact O-N 3.22Å; A173-F177 VanDerWaalsContact O-CB 3.28Å; A173-F177 WeakPolarHBondContact O-CB 3.33Å; A173-F177 PolarHBondContact O-N 3.3Å; A173-F323 HydrophobicContact CB-CD1 3.87Å; A173-F323 HydrophobicContact CB-CE1 4.42Å
174	M	97.8	Very high	96.7	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.005	34%	0.344	C	S	.	.	H	α-helix	trans	-64.3	-44.6	175.5	-175.1	-179.5	175.2	0	0	112.1	Y155 D156 P159 C162 L165 E170 V171 S172 L176 F177 V178 F323	Y155-M174 WeakPolarHBondContact O-CE 3.47Å; D156-M174 VanDerWaalsContact C-CE 3.44Å; P159-M174 HydrophobicContact CB-SD 3.93Å; P159-M174 HydrophobicContact CG-CB 4.37Å; P159-M174 HydrophobicContact CG-CE 4.4Å; P159-M174 HydrophobicContact CG-CG 4.12Å; P159-M174 HydrophobicContact CG-SD 3.79Å; C162-M174 VanDerWaalsContact SG-SD 3.68Å; L165-M174 HydrophobicContact CD1-SD 3.65Å; E170-M174 PolarHBondContact O-N 2.95Å; V171-M174 PolarHBondContact O-N 3.32Å; S172-M174 VanDerWaalsContact C-N 3.34Å; S172-M174 PolarHBondContact O-N 3.34Å; M174-L176 VanDerWaalsContact C-N 3.32Å; M174-L176 PolarHBondContact O-N 3.06Å; M174-F177 PolarHBondContact O-N 3Å; M174-V178 HydrophobicContact CG-CG2 4.29Å; M174-V178 WeakPolarHBondContact O-CB 3.36Å; M174-V178 VanDerWaalsContact O-CG2 3.27Å; M174-V178 WeakPolarHBondContact O-CG2 3.39Å; M174-V178 PolarHBondContact O-N 3.37Å; M174-F323 HydrophobicContact CB-CD1 4.34Å; M174-F323 HydrophobicContact CB-CD2 4.25Å; M174-F323 HydrophobicContact CB-CE1 3.9Å; M174-F323 HydrophobicContact CB-CE2 3.78Å; M174-F323 HydrophobicContact CB-CZ 3.6Å; M174-F323 HydrophobicContact CG-CE1 4.46Å; M174-F323 HydrophobicContact CG-CE2 3.77Å; M174-F323 HydrophobicContact CG-CZ 3.7Å; M174-F323 HydrophobicContact SD-CE2 4.2Å
175	I	97.6	Very high	96.9	Very high	90 Å²	90	61.8 Å²	61.8	46%	0.462	34%	0.34	S	S	.	.	H	α-helix	trans	-58.8	-45.8	177.8	-70.5	168.4	0	0	0	110.8	P159 V171 S172 V178 K179	P159-I175 HydrophobicContact CG-CD1 4.44Å; P159-I175 HydrophobicContact CG-CG1 3.72Å; V171-I175 HydrophobicContact CG1-CD1 3.89Å; V171-I175 VanDerWaalsContact O-CG1 3.31Å; V171-I175 WeakPolarHBondContact O-CG1 3.33Å; V171-I175 PolarHBondContact O-N 2.85Å; S172-I175 PolarHBondContact O-N 2.94Å; I175-V178 PolarHBondContact O-N 2.97Å; I175-K179 WeakPolarHBondContact O-CB 3.38Å; I175-K179 PolarHBondContact O-N 2.93Å
176	L	98	Very high	97	Very high	111 Å²	111	60.4 Å²	60.4	58%	0.581	33%	0.333	S	S	*	.	H	α-helix	trans	-65.5	-42.9	178.3	-70.1	174.7	0	0	0	111.5	S172 A173 M174 V178 K179 Q180	S172-L176 WeakPolarHBondContact O-CB 3.29Å; S172-L176 WeakPolarHBondContact O-CG 3.43Å; S172-L176 PolarHBondContact O-N 3.46Å; A173-L176 PolarHBondContact O-N 3.22Å; M174-L176 VanDerWaalsContact C-N 3.32Å; M174-L176 PolarHBondContact O-N 3.06Å; L176-V178 PolarHBondContact O-N 3.19Å; L176-K179 PolarHBondContact O-N 2.64Å; L176-Q180 WeakPolarHBondContact O-CB 3.34Å; L176-Q180 PolarHBondContact O-N 3.45Å
177	F	98.1	Very high	97.4	Very high	17 Å²	17	57.1 Å²	57.1	8%	0.075	30%	0.298	C	S	.	.	H	α-helix	trans	-58.5	-47.3	175	171.6	-117	0	0	0	111.8	A173 M174 K179 Q180 F181 Y307 C308 V311 W312 L321 F323	A173-F177 VanDerWaalsContact O-CB 3.28Å; A173-F177 WeakPolarHBondContact O-CB 3.33Å; A173-F177 PolarHBondContact O-N 3.3Å; M174-F177 PolarHBondContact O-N 3Å; F177-K179 PolarHBondContact O-N 3.38Å; F177-Q180 WeakPolarHBondContact O-CB 3.36Å; F177-Q180 PolarHBondContact O-N 3.38Å; F177-F181 HydrophobicContact CD1-CD1 4.04Å; F177-F181 HydrophobicContact CD1-CE1 4.16Å; F177-F181 HydrophobicContact CD2-CD1 4.39Å; F177-F181 AromaticContact CE1-CD1 3.74Å; F177-F181 HydrophobicContact CE1-CD1 3.74Å; F177-F181 AromaticContact CE1-CE1 3.87Å; F177-F181 HydrophobicContact CE1-CE1 3.87Å; F177-F181 HydrophobicContact CE2-CD1 4.09Å; F177-F181 HydrophobicContact CG-CD1 4.36Å; F177-F181 AromaticContact CZ-CD1 3.76Å; F177-F181 HydrophobicContact CZ-CD1 3.76Å; F177-F181 HydrophobicContact CZ-CE1 4.31Å; F177-F181 VanDerWaalsContact O-CD1 3.27Å; F177-F181 WeakPolarHBondContact O-CD1 3.33Å; F177-F181 PolarHBondContact O-N 2.89Å; F177-Y307 AromaticContact CE2-CE1 3.99Å; F177-Y307 HydrophobicContact CE2-CE1 3.99Å; F177-Y307 HydrophobicContact CZ-CD1 4.49Å; F177-Y307 AromaticContact CZ-CE1 3.98Å; F177-Y307 HydrophobicContact CZ-CE1 3.98Å; F177-C308 HydrophobicContact CE1-CB 4.42Å; F177-C308 HydrophobicContact CZ-CB 4.34Å; F177-V311 HydrophobicContact CD2-CG1 4.2Å; F177-V311 HydrophobicContact CE2-CB 3.91Å; F177-V311 HydrophobicContact CE2-CG1 3.7Å; F177-V311 HydrophobicContact CE2-CG2 4.2Å; F177-V311 HydrophobicContact CZ-CB 4.28Å; F177-V311 HydrophobicContact CZ-CG1 4.49Å; F177-W312 AromaticContact CD1-CD1 3.91Å; F177-W312 AromaticContact CD2-CD1 3.82Å; F177-W312 AromaticContact CD2-NE1 3.56Å; F177-W312 AromaticContact CE1-CD1 3.9Å; F177-W312 AromaticContact CE2-CD1 3.84Å; F177-W312 AromaticContact CG-CD1 3.87Å; F177-W312 AromaticContact CG-NE1 3.57Å; F177-W312 AromaticContact CZ-CD1 3.87Å; F177-L321 HydrophobicContact CE1-CD1 4.05Å; F177-F323 HydrophobicContact CB-CE1 4.25Å; F177-F323 HydrophobicContact CD1-CE1 4.44Å; F177-F323 AromaticContact CD1-CZ 3.97Å; F177-F323 HydrophobicContact CD1-CZ 3.97Å
178	V	97.7	Very high	97.5	Very high	12 Å²	12	55.9 Å²	55.9	7%	0.073	29%	0.289	C	S	.	.	H	α-helix	trans	-62	-44.5	177.8	173.2	0	0	0	0	111.7	M174 I175 L176 Q180 F181 K182	M174-V178 HydrophobicContact CG-CG2 4.29Å; M174-V178 WeakPolarHBondContact O-CB 3.36Å; M174-V178 VanDerWaalsContact O-CG2 3.27Å; M174-V178 WeakPolarHBondContact O-CG2 3.39Å; M174-V178 PolarHBondContact O-N 3.37Å; I175-V178 PolarHBondContact O-N 2.97Å; L176-V178 PolarHBondContact O-N 3.19Å; V178-Q180 VanDerWaalsContact C-N 3.31Å; V178-Q180 PolarHBondContact O-N 2.88Å; V178-F181 HydrophobicContact CB-CE1 3.94Å; V178-F181 HydrophobicContact CB-CZ 4.14Å; V178-F181 HydrophobicContact CG1-CE1 4.2Å; V178-F181 HydrophobicContact CG1-CE2 4.5Å; V178-F181 HydrophobicContact CG1-CZ 3.86Å; V178-F181 HydrophobicContact CG2-CE1 3.69Å; V178-F181 HydrophobicContact CG2-CZ 4.04Å; V178-K182 HydrophobicContact CG1-CD 4.06Å; V178-K182 WeakPolarHBondContact O-CB 3.44Å; V178-K182 WeakPolarHBondContact O-CG 3.46Å; V178-K182 PolarHBondContact O-N 3.4Å
179	K	97.6	Very high	97.5	Very high	129 Å²	129	48.1 Å²	48.1	56%	0.561	25%	0.254	S	S	*	.	H	α-helix	trans	-59.4	-44.7	175.2	-177.7	-177.8	176.2	-173.7	0	111.2	I175 L176 F177 L183	I175-K179 WeakPolarHBondContact O-CB 3.38Å; I175-K179 PolarHBondContact O-N 2.93Å; L176-K179 PolarHBondContact O-N 2.64Å; F177-K179 PolarHBondContact O-N 3.38Å; K179-L183 HydrophobicContact CG-CD1 4.22Å; K179-L183 WeakPolarHBondContact O-CG 3.45Å; K179-L183 PolarHBondContact O-N 3.15Å
180	Q	97.4	Very high	97.6	Very high	87 Å²	87	43.4 Å²	43.4	41%	0.407	23%	0.228	S	C	.	.	H	α-helix	trans	-63.4	-53.7	-177.8	-169	70.8	0.5	0	0	111.4	L176 F177 V178 K182 L183 E184	L176-Q180 WeakPolarHBondContact O-CB 3.34Å; L176-Q180 PolarHBondContact O-N 3.45Å; F177-Q180 WeakPolarHBondContact O-CB 3.36Å; F177-Q180 PolarHBondContact O-N 3.38Å; V178-Q180 VanDerWaalsContact C-N 3.31Å; V178-Q180 PolarHBondContact O-N 2.88Å; Q180-K182 VanDerWaalsContact C-N 3.25Å; Q180-K182 PolarHBondContact O-N 2.74Å; Q180-L183 PolarHBondContact O-N 2.91Å; Q180-L183 VanDerWaalsContact O-N 3.08Å; Q180-E184 PolarHBondContact NE2-OE1 3.5Å; Q180-E184 PolarHBondContact NE2-OE2 3.23Å; Q180-E184 PolarHBondContact O-N 2.88Å
181	F	97.3	Very high	97.6	Very high	1 Å²	1	42.2 Å²	42.2	0%	0.004	22%	0.223	C	C	.	.	H	α-helix	trans	-65.1	-33.6	-174.7	74.3	-125.3	0	0	0	112.2	L63 Q157 F177 V178 L183 E184 V185 L186 F295 Y307	L63-F181 HydrophobicContact CD1-CE2 3.95Å; Q157-F181 HydrophobicContact CG-CZ 4.33Å; F177-F181 HydrophobicContact CD1-CD1 4.04Å; F177-F181 HydrophobicContact CD1-CE1 4.16Å; F177-F181 HydrophobicContact CD2-CD1 4.39Å; F177-F181 AromaticContact CE1-CD1 3.74Å; F177-F181 HydrophobicContact CE1-CD1 3.74Å; F177-F181 AromaticContact CE1-CE1 3.87Å; F177-F181 HydrophobicContact CE1-CE1 3.87Å; F177-F181 HydrophobicContact CE2-CD1 4.09Å; F177-F181 HydrophobicContact CG-CD1 4.36Å; F177-F181 AromaticContact CZ-CD1 3.76Å; F177-F181 HydrophobicContact CZ-CD1 3.76Å; F177-F181 HydrophobicContact CZ-CE1 4.31Å; F177-F181 VanDerWaalsContact O-CD1 3.27Å; F177-F181 WeakPolarHBondContact O-CD1 3.33Å; F177-F181 PolarHBondContact O-N 2.89Å; V178-F181 HydrophobicContact CB-CE1 3.94Å; V178-F181 HydrophobicContact CB-CZ 4.14Å; V178-F181 HydrophobicContact CG1-CE1 4.2Å; V178-F181 HydrophobicContact CG1-CE2 4.5Å; V178-F181 HydrophobicContact CG1-CZ 3.86Å; V178-F181 HydrophobicContact CG2-CE1 3.69Å; V178-F181 HydrophobicContact CG2-CZ 4.04Å; F181-L183 PolarHBondContact O-N 2.82Å; F181-E184 PolarHBondContact O-N 2.89Å; F181-V185 HydrophobicContact CB-CG2 3.64Å; F181-V185 VanDerWaalsContact O-CG2 3.24Å; F181-V185 WeakPolarHBondContact O-CG2 3.44Å; F181-V185 PolarHBondContact O-N 3.35Å; F181-L186 WeakPolarHBondContact O-CB 3.26Å; F181-L186 PolarHBondContact O-N 3.42Å; F181-F295 HydrophobicContact CB-CE1 4.36Å; F181-F295 HydrophobicContact CD2-CD1 4.37Å; F181-F295 AromaticContact CD2-CE1 3.4Å; F181-F295 HydrophobicContact CD2-CE1 3.4Å; F181-F295 HydrophobicContact CD2-CZ 4.06Å; F181-F295 AromaticContact CE2-CE1 3.76Å; F181-F295 HydrophobicContact CE2-CE1 3.76Å; F181-F295 AromaticContact CE2-CZ 3.98Å; F181-F295 HydrophobicContact CE2-CZ 3.98Å; F181-F295 AromaticContact CG-CE1 3.94Å; F181-F295 HydrophobicContact CG-CE1 3.94Å; F181-F295 HydrophobicContact CZ-CE1 4.49Å; F181-Y307 HydrophobicContact CB-CD1 4.36Å; F181-Y307 HydrophobicContact CB-CE1 3.47Å; F181-Y307 VanDerWaalsContact CB-CE1 3.47Å; F181-Y307 HydrophobicContact CD1-CE1 4.4Å; F181-Y307 HydrophobicContact CG-CE1 4.18Å
182	K	97.5	Very high	97.6	Very high	22 Å²	22	40 Å²	40	10%	0.096	21%	0.21	C	C	.	.	H	α-helix	trans	-62.3	-34.7	177.3	-77.9	178.7	173.6	-160.6	0	112.2	R62 L63 G65 S67 P68 V178 Q180 L186	R62-K182 PolarHBondContact O-NZ 3.25Å; L63-K182 WeakPolarHBondContact O-CE 3.44Å; L63-K182 PolarHBondContact O-NZ 3.41Å; G65-K182 PolarHBondContact O-NZ 3.01Å; G65-K182 VanDerWaalsContact O-NZ 3.13Å; S67-K182 WeakPolarHBondContact CB-O 3.49Å; P68-K182 WeakPolarHBondContact CD-O 3.3Å; V178-K182 HydrophobicContact CG1-CD 4.06Å; V178-K182 WeakPolarHBondContact O-CB 3.44Å; V178-K182 WeakPolarHBondContact O-CG 3.46Å; V178-K182 PolarHBondContact O-N 3.4Å; Q180-K182 VanDerWaalsContact C-N 3.25Å; Q180-K182 PolarHBondContact O-N 2.74Å; K182-L186 HydrophobicContact CB-CD2 4.29Å; K182-L186 HydrophobicContact CG-CD2 3.94Å
183	L	96.3	Very high	97.5	Very high	80 Å²	80	39.2 Å²	39.2	42%	0.419	20%	0.201	S	C	.	.	H	α-helix	trans	-84.8	-36.4	-179	-66.8	174.1	0	0	0	112	K179 Q180 F181 R267	K179-L183 HydrophobicContact CG-CD1 4.22Å; K179-L183 WeakPolarHBondContact O-CG 3.45Å; K179-L183 PolarHBondContact O-N 3.15Å; Q180-L183 PolarHBondContact O-N 2.91Å; Q180-L183 VanDerWaalsContact O-N 3.08Å; F181-L183 PolarHBondContact O-N 2.82Å; L183-R267 PolarHBondContact O-NH1 3Å; L183-R267 PolarHBondContact O-NH2 3.24Å
184	E	95.6	Very high	97.4	Very high	110 Å²	110	38.3 Å²	38.3	51%	0.514	19%	0.192	S	C	.	.	H	α-helix	trans	-105.8	-28	-165	-64.4	-165.6	163	0	0	115.7	Q180 F181 R267	Q180-E184 PolarHBondContact NE2-OE1 3.5Å; Q180-E184 PolarHBondContact NE2-OE2 3.23Å; Q180-E184 PolarHBondContact O-N 2.88Å; F181-E184 PolarHBondContact O-N 2.89Å; E184-R267 VanDerWaalsContact O-CZ 3.26Å; E184-R267 PolarHBondContact O-NH1 3.42Å
185	V	97.6	Very high	97.2	Very high	15 Å²	15	39.4 Å²	39.4	9%	0.091	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.7	-27.2	-173.4	-57.8	0	0	0	0	114	F181 G187 R267 F295 W296 Y307	F181-V185 HydrophobicContact CB-CG2 3.64Å; F181-V185 VanDerWaalsContact O-CG2 3.24Å; F181-V185 WeakPolarHBondContact O-CG2 3.44Å; F181-V185 PolarHBondContact O-N 3.35Å; V185-G187 PolarHBondContact O-N 3.42Å; V185-R267 VanDerWaalsContact C-NE 3.29Å; V185-R267 VanDerWaalsContact O-CD 3.26Å; V185-R267 WeakPolarHBondContact O-CD 3.25Å; V185-R267 PolarHBondContact O-NE 3.01Å; V185-F295 HydrophobicContact CG2-CB 4.48Å; V185-F295 HydrophobicContact CG2-CD1 3.69Å; V185-F295 HydrophobicContact CG2-CE1 4.47Å; V185-F295 WeakPolarHBondContact O-CA 3.46Å; V185-W296 WeakPolarHBondContact CB-O 3.34Å; V185-W296 WeakPolarHBondContact CG1-O 3.48Å; V185-W296 PolarHBondContact O-N 3.27Å; V185-Y307 HydrophobicContact CB-CE2 4.16Å; V185-Y307 HydrophobicContact CG1-CE2 3.95Å; V185-Y307 HydrophobicContact CG2-CD1 4.24Å; V185-Y307 HydrophobicContact CG2-CD2 4.21Å; V185-Y307 HydrophobicContact CG2-CE1 3.73Å; V185-Y307 HydrophobicContact CG2-CE2 3.69Å; V185-Y307 HydrophobicContact CG2-CG 4.45Å; V185-Y307 VanDerWaalsContact CG2-CZ 3.42Å
186	L	98.3	Very high	97	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	132.4	179.3	176.6	65.1	0	0	0	110.3	L63 L64 F181 K182 R267 V293 F295	L63-L186 HydrophobicContact CD1-CD1 4.27Å; L63-L186 HydrophobicContact CD1-CD2 3.87Å; L63-L186 HydrophobicContact CD2-CD1 4.38Å; L63-L186 HydrophobicContact CG-CD1 4.35Å; L63-L186 HydrophobicContact CG-CD2 4.05Å; L64-L186 HydrophobicContact CD2-CD2 4.3Å; F181-L186 WeakPolarHBondContact O-CB 3.26Å; F181-L186 PolarHBondContact O-N 3.42Å; K182-L186 HydrophobicContact CB-CD2 4.29Å; K182-L186 HydrophobicContact CG-CD2 3.94Å; L186-R267 VanDerWaalsContact O-CZ 3.29Å; L186-R267 PolarHBondContact O-NE 2.95Å; L186-R267 PolarHBondContact O-NH2 3.32Å; L186-V293 HydrophobicContact CD1-CG1 3.7Å; L186-F295 HydrophobicContact CD1-CD2 4.27Å; L186-F295 HydrophobicContact CD1-CE1 4.45Å; L186-F295 HydrophobicContact CD1-CE2 3.68Å; L186-F295 HydrophobicContact CD1-CZ 3.8Å
187	G	97.8	Very high	96.8	Very high	3 Å²	3	34 Å²	34	3%	0.031	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	171.5	170.7	0	0	0	0	0	111.7	V185 Y294	V185-G187 PolarHBondContact O-N 3.42Å; G187-Y294 VanDerWaalsContact C-CD1 3.49Å; G187-Y294 PolarHBondContact N-O 3.13Å; G187-Y294 WeakPolarHBondContact O-CD1 3.31Å; G187-Y294 PolarHBondContact O-N 3.06Å
188	V	98.1	Very high	96.5	Very high	19 Å²	19	34 Å²	34	12%	0.115	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	128.5	170.7	-178.1	0	0	0	0	107.4	L64 C69 L72 L292 V293	L64-V188 HydrophobicContact CD1-CG2 4.32Å; L64-V188 HydrophobicContact CD2-CG2 3.68Å; C69-V188 HydrophobicContact CB-CG2 4.09Å; L72-V188 HydrophobicContact CD1-CB 3.82Å; L72-V188 HydrophobicContact CD1-CG1 3.82Å; L72-V188 HydrophobicContact CD1-CG2 3.71Å; V188-L292 CarbonylContact C-O 3.59Å; V188-L292 WeakPolarHBondContact CA-O 3.42Å; V188-L292 HydrophobicContact CG1-CB 4.37Å; V188-V293 HydrophobicContact CG2-CG2 4.26Å
189	G	97.9	Very high	96.4	Very high	6 Å²	6	36.5 Å²	36.5	6%	0.062	20%	0.201	C	C	.	.			trans	-64.5	138.9	179.6	0	0	0	0	0	111.1	Y264 L292	G189-Y264 CarbonylContact C-O 3.34Å; G189-Y264 VanDerWaalsContact CA-O 3.25Å; G189-Y264 WeakPolarHBondContact CA-O 3.47Å; G189-L292 PolarHBondContact N-O 2.89Å; G189-L292 WeakPolarHBondContact O-CD1 3.05Å
190	E	97.6	Very high	96.2	Very high	37 Å²	37	31.7 Å²	31.7	17%	0.173	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	128.3	177.7	-70.5	-178.3	74.3	0	0	108.8	L200 R207 Y264 Y270	E190-L200 HydrophobicContact CB-CD1 4.26Å; E190-L200 HydrophobicContact CB-CD2 4.34Å; E190-R207 VanDerWaalsContact CD-NH2 3.27Å; E190-R207 IonicContact OE1-CZ 2.84Å; E190-R207 IonicContact OE1-NH1 3.17Å; E190-R207 IonicContact OE1-NH2 3.2Å; E190-R207 PolarHBondContact OE1-NH2 3.4Å; E190-R207 IonicContact OE2-NH2 3.87Å; E190-R207 PolarHBondContact OE2-NH2 3.34Å; E190-Y264 PolarHBondContact N-O 2.72Å; E190-Y264 PolarHBondContact O-N 3.36Å; E190-Y270 PolarHBondContact OE2-OH 3.47Å
191	V	97.9	Very high	96.1	Very high	8 Å²	8	32.9 Å²	32.9	5%	0.048	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	138.1	-179.9	176.6	0	0	0	0	109.4	P113 L116 Y124 P261 V262 V263 L292	P113-V191 HydrophobicContact CB-CB 4.07Å; P113-V191 HydrophobicContact CB-CG2 3.68Å; P113-V191 HydrophobicContact CG-CB 4.41Å; P113-V191 HydrophobicContact CG-CG2 3.75Å; L116-V191 HydrophobicContact CD1-CB 3.88Å; L116-V191 HydrophobicContact CD1-CG1 3.68Å; L116-V191 HydrophobicContact CD2-CB 3.98Å; L116-V191 HydrophobicContact CD2-CG1 4.12Å; L116-V191 VanDerWaalsContact CD2-O 3.24Å; L116-V191 WeakPolarHBondContact CD2-O 3.31Å; L116-V191 HydrophobicContact CG-CB 4.37Å; Y124-V191 HydrophobicContact CD2-CB 4.5Å; Y124-V191 HydrophobicContact CD2-CG1 3.82Å; Y124-V191 HydrophobicContact CD2-CG2 3.82Å; Y124-V191 HydrophobicContact CE2-CG2 3.71Å; Y124-V191 HydrophobicContact CG-CG1 4.45Å; V191-P261 HydrophobicContact CG1-CB 4.09Å; V191-V262 VanDerWaalsContact CA-O 3.31Å; V191-V262 WeakPolarHBondContact CA-O 3.43Å; V191-V263 HydrophobicContact CG2-CG2 4.26Å; V191-L292 HydrophobicContact CG2-CD1 3.67Å
192	G	96.9	Very high	95.9	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.01	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	-177.2	176.3	0	0	0	0	0	110.6	E196 V262	G192-E196 WeakPolarHBondContact CA-OE2 3.38Å; G192-V262 PolarHBondContact N-O 3.09Å; G192-V262 WeakPolarHBondContact O-CG2 3.39Å; G192-V262 PolarHBondContact O-N 2.65Å
193	L	96.4	Very high	95.7	Very high	43 Å²	43	38 Å²	38	23%	0.225	22%	0.215	C	C	.	.			trans	-85.7	155.2	169.3	-65.2	177.2	0	0	0	110.9	L120 G195 E196 Y264	L120-L193 HydrophobicContact CD1-CD2 3.76Å; L120-L193 HydrophobicContact CD1-CG 4.14Å; L193-G195 PolarHBondContact O-N 2.77Å; L193-E196 HydrophobicContact CB-CG 4.13Å; L193-E196 PolarHBondContact N-OE2 3.28Å; L193-E196 WeakPolarHBondContact O-CB 3.22Å; L193-E196 PolarHBondContact O-N 3.41Å; L193-E196 VanDerWaalsContact O-N 3.1Å; L193-Y264 PolarHBondContact O-OH 2.96Å
194	P	96.1	Very high	95.5	Very high	13 Å²	13	34.4 Å²	34.4	8%	0.084	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	129.9	170.9	-26.9	35.2	0	0	0	112.1	Y247 V256 S257 K258 S260 V262 Y264	P194-Y247 HydrophobicContact CB-CD1 3.87Å; P194-Y247 HydrophobicContact CB-CD2 3.36Å; P194-Y247 HydrophobicContact CB-CE1 4.09Å; P194-Y247 HydrophobicContact CB-CE2 3.62Å; P194-Y247 HydrophobicContact CB-CG 3.49Å; P194-Y247 VanDerWaalsContact CB-CG 3.49Å; P194-Y247 HydrophobicContact CG-CD2 4.42Å; P194-Y247 HydrophobicContact CG-CG 4.49Å; P194-V256 HydrophobicContact CG-CG1 3.51Å; P194-S257 WeakPolarHBondContact CG-O 3.24Å; P194-K258 WeakPolarHBondContact CD-O 3.27Å; P194-S260 VanDerWaalsContact CD-O 3.24Å; P194-S260 WeakPolarHBondContact CD-O 3.37Å; P194-V262 HydrophobicContact CG-CG1 3.94Å; P194-V262 HydrophobicContact CG-CG2 4.24Å; P194-Y264 VanDerWaalsContact CA-OH 3.27Å; P194-Y264 WeakPolarHBondContact CA-OH 3.2Å
195	G	92.8	Very high	95.3	Very high	23 Å²	23	32 Å²	32	24%	0.237	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.3	-14.5	-175.9	0	0	0	0	0	114.4	L193 G197 Y247 Y264	L193-G195 PolarHBondContact O-N 2.77Å; G195-G197 PolarHBondContact O-N 3.13Å; G195-Y247 WeakPolarHBondContact CA-OH 3.49Å; G195-Y247 PolarHBondContact N-OH 3.39Å; G195-Y264 PolarHBondContact N-OH 3.08Å; G195-Y264 VanDerWaalsContact N-OH 3.1Å
196	E	94.2	Very high	95	Very high	84 Å²	84	37.5 Å²	37.5	39%	0.393	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-0.9	177.2	-62.2	-173.7	149	0	0	113.8	G192 L193 G198 A199 L200	G192-E196 WeakPolarHBondContact CA-OE2 3.38Å; L193-E196 HydrophobicContact CB-CG 4.13Å; L193-E196 PolarHBondContact N-OE2 3.28Å; L193-E196 WeakPolarHBondContact O-CB 3.22Å; L193-E196 PolarHBondContact O-N 3.41Å; L193-E196 VanDerWaalsContact O-N 3.1Å; E196-G198 PolarHBondContact O-N 3.34Å; E196-A199 PolarHBondContact O-N 2.83Å; E196-A199 VanDerWaalsContact O-N 3.1Å; E196-L200 WeakPolarHBondContact O-CG 3.22Å; E196-L200 PolarHBondContact O-N 2.98Å
197	G	93.2	Very high	94.5	Very high	3 Å²	3	40.6 Å²	40.6	3%	0.031	23%	0.232	C	C	.	.	H	α-helix	trans	-55.4	-36.1	179.9	0	0	0	0	0	113.8	G195 L200 K201 Y270	G195-G197 PolarHBondContact O-N 3.13Å; G197-L200 PolarHBondContact O-N 3.45Å; G197-K201 WeakPolarHBondContact O-CB 3.48Å; G197-K201 PolarHBondContact O-N 2.78Å; G197-Y270 WeakPolarHBondContact O-CB 3.2Å
198	G	93.3	Very high	94	Very high	18 Å²	18	43.7 Å²	43.7	19%	0.186	25%	0.25	C	S	.	.	H	α-helix	trans	-63	-46.5	175.2	0	0	0	0	0	112.9	E196 L200 K201 E202	E196-G198 PolarHBondContact O-N 3.34Å; G198-L200 PolarHBondContact O-N 2.8Å; G198-K201 WeakPolarHBondContact O-CB 3.46Å; G198-K201 PolarHBondContact O-N 2.67Å; G198-E202 WeakPolarHBondContact O-CG 3.47Å; G198-E202 PolarHBondContact O-N 3.36Å
199	A	93.9	Very high	93.5	Very high	64 Å²	64	45.8 Å²	45.8	53%	0.529	27%	0.27	S	S	.	.	H	α-helix	trans	-65.1	-39	177.4	0	0	0	0	0	111.9	E196 E202 A203	E196-A199 PolarHBondContact O-N 2.83Å; E196-A199 VanDerWaalsContact O-N 3.1Å; A199-E202 PolarHBondContact O-N 3.36Å; A199-A203 WeakPolarHBondContact O-CB 3.35Å; A199-A203 PolarHBondContact O-N 3.31Å
200	L	93.9	Very high	92.9	Very high	29 Å²	29	52.2 Å²	52.2	15%	0.152	30%	0.296	C	S	.	.	H	α-helix	trans	-63.6	-42.3	174.6	-68	173.7	0	0	0	111.8	E190 E196 G197 G198 E202 A203 A204 Y264 Y270	E190-L200 HydrophobicContact CB-CD1 4.26Å; E190-L200 HydrophobicContact CB-CD2 4.34Å; E196-L200 WeakPolarHBondContact O-CG 3.22Å; E196-L200 PolarHBondContact O-N 2.98Å; G197-L200 PolarHBondContact O-N 3.45Å; G198-L200 PolarHBondContact O-N 2.8Å; L200-E202 PolarHBondContact O-N 3.05Å; L200-A203 PolarHBondContact O-N 3.21Å; L200-A204 WeakPolarHBondContact O-CB 3.08Å; L200-A204 PolarHBondContact O-N 2.84Å; L200-Y264 HydrophobicContact CD1-CD2 3.38Å; L200-Y264 HydrophobicContact CD1-CE2 3.85Å; L200-Y264 HydrophobicContact CD1-CG 3.97Å; L200-Y270 HydrophobicContact CB-CD1 3.93Å; L200-Y270 HydrophobicContact CB-CE1 3.6Å; L200-Y270 HydrophobicContact CD1-CE1 4.32Å
201	K	94.6	Very high	92.1	Very high	111 Å²	111	52.6 Å²	52.6	48%	0.483	30%	0.298	S	S	.	.	H	α-helix	trans	-60.1	-45.1	174.9	-175.5	-178.2	177.4	-178	0	112.1	G197 G198 A204 A205 Y270	G197-K201 WeakPolarHBondContact O-CB 3.48Å; G197-K201 PolarHBondContact O-N 2.78Å; G198-K201 WeakPolarHBondContact O-CB 3.46Å; G198-K201 PolarHBondContact O-N 2.67Å; K201-A204 PolarHBondContact O-N 3.17Å; K201-A205 PolarHBondContact O-N 2.71Å; K201-Y270 HydrophobicContact CB-CD2 3.52Å; K201-Y270 HydrophobicContact CB-CE2 4.01Å; K201-Y270 HydrophobicContact CB-CG 4.03Å; K201-Y270 HydrophobicContact CG-CD2 3.91Å; K201-Y270 HydrophobicContact CG-CE2 4.4Å
202	E	94.9	Very high	91.2	Very high	100 Å²	100	56.9 Å²	56.9	47%	0.467	32%	0.324	S	S	.	.	H	α-helix	trans	-63.2	-44	176.4	-73.1	180	-172.3	0	0	111.6	G198 A199 L200 A204 A205 Q206	G198-E202 WeakPolarHBondContact O-CG 3.47Å; G198-E202 PolarHBondContact O-N 3.36Å; A199-E202 PolarHBondContact O-N 3.36Å; L200-E202 PolarHBondContact O-N 3.05Å; E202-A204 VanDerWaalsContact C-N 3.32Å; E202-A204 PolarHBondContact O-N 2.92Å; E202-A205 PolarHBondContact O-N 3.44Å; E202-Q206 VanDerWaalsContact O-CG 3.28Å; E202-Q206 WeakPolarHBondContact O-CG 3.3Å; E202-Q206 PolarHBondContact O-N 3.28Å
203	A	92.5	Very high	90.6	Very high	32 Å²	32	63.3 Å²	63.3	26%	0.264	35%	0.351	S	S	.	.	H	α-helix	trans	-61.1	-41.2	175.8	0	0	0	0	0	111.7	A199 L200 Q206 R207	A199-A203 WeakPolarHBondContact O-CB 3.35Å; A199-A203 PolarHBondContact O-N 3.31Å; L200-A203 PolarHBondContact O-N 3.21Å; A203-Q206 PolarHBondContact O-N 2.88Å; A203-R207 VanDerWaalsContact O-CG 3.3Å; A203-R207 WeakPolarHBondContact O-CG 3.31Å; A203-R207 PolarHBondContact O-N 3.42Å
204	A	91.6	Very high	89.6	Confident	3 Å²	3	65 Å²	65	3%	0.025	36%	0.36	C	S	.	.	H	α-helix	trans	-61.7	-46.2	174.5	0	0	0	0	0	112	L200 K201 E202 Q206 R207 T208 Y270	L200-A204 WeakPolarHBondContact O-CB 3.08Å; L200-A204 PolarHBondContact O-N 2.84Å; K201-A204 PolarHBondContact O-N 3.17Å; E202-A204 VanDerWaalsContact C-N 3.32Å; E202-A204 PolarHBondContact O-N 2.92Å; A204-Q206 PolarHBondContact O-N 2.91Å; A204-R207 WeakPolarHBondContact O-CB 3.45Å; A204-R207 PolarHBondContact O-N 2.81Å; A204-T208 PolarHBondContact O-N 3.3Å; A204-T208 PolarHBondContact O-OG1 3.5Å; A204-Y270 HydrophobicContact CB-CE2 4.46Å
205	A	92	Very high	88.4	Confident	61 Å²	61	71.9 Å²	71.9	50%	0.504	39%	0.385	S	S	.	.	H	α-helix	trans	-61.1	-42	177	0	0	0	0	0	112.4	K201 E202 T208 A209	K201-A205 PolarHBondContact O-N 2.71Å; E202-A205 PolarHBondContact O-N 3.44Å; A205-T208 PolarHBondContact O-N 3.28Å; A205-A209 WeakPolarHBondContact O-CB 3.41Å; A205-A209 PolarHBondContact O-N 2.93Å
206	Q	90.8	Very high	87.2	Confident	130 Å²	130	72.4 Å²	72.4	61%	0.607	39%	0.39	S	S	*	.	H	α-helix	trans	-64	-40	176.3	-70.4	171.6	22.7	0	0	112.1	E202 A203 A204 A209 K210	E202-Q206 VanDerWaalsContact O-CG 3.28Å; E202-Q206 WeakPolarHBondContact O-CG 3.3Å; E202-Q206 PolarHBondContact O-N 3.28Å; A203-Q206 PolarHBondContact O-N 2.88Å; A204-Q206 PolarHBondContact O-N 2.91Å; Q206-A209 PolarHBondContact O-N 2.55Å; Q206-K210 WeakPolarHBondContact O-CB 3.23Å; Q206-K210 PolarHBondContact O-N 3.39Å
207	R	89	Confident	85.7	Confident	65 Å²	65	72.2 Å²	72.2	25%	0.245	39%	0.392	C	S	.	.	H	α-helix	trans	-61.1	-48.5	174.8	-72.7	-176.9	-60.9	-106.6	16.7	111	E190 A203 A204 A209 K210 E211	E190-R207 VanDerWaalsContact CD-NH2 3.27Å; E190-R207 IonicContact OE1-CZ 2.84Å; E190-R207 IonicContact OE1-NH1 3.17Å; E190-R207 IonicContact OE1-NH2 3.2Å; E190-R207 PolarHBondContact OE1-NH2 3.4Å; E190-R207 IonicContact OE2-NH2 3.87Å; E190-R207 PolarHBondContact OE2-NH2 3.34Å; A203-R207 VanDerWaalsContact O-CG 3.3Å; A203-R207 WeakPolarHBondContact O-CG 3.31Å; A203-R207 PolarHBondContact O-N 3.42Å; A204-R207 WeakPolarHBondContact O-CB 3.45Å; A204-R207 PolarHBondContact O-N 2.81Å; R207-A209 PolarHBondContact O-N 3.1Å; R207-K210 PolarHBondContact O-N 3.38Å; R207-E211 PolarHBondContact O-N 2.82Å
208	T	85.9	Confident	84.1	Confident	68 Å²	68	78.2 Å²	78.2	42%	0.417	42%	0.417	S	S	.	.	H	α-helix	trans	-60.9	-44.8	178.6	-58.5	0	0	0	0	111.6	A204 A205 K210 E211 V212	A204-T208 PolarHBondContact O-N 3.3Å; A204-T208 PolarHBondContact O-OG1 3.5Å; A205-T208 PolarHBondContact O-N 3.28Å; T208-K210 VanDerWaalsContact C-N 3.33Å; T208-K210 PolarHBondContact O-N 2.82Å; T208-E211 PolarHBondContact O-N 3.45Å; T208-V212 WeakPolarHBondContact O-CG2 3.39Å; T208-V212 PolarHBondContact O-N 2.7Å
209	A	88	Confident	82	Confident	63 Å²	63	80.8 Å²	80.8	52%	0.521	44%	0.436	S	S	.	.	H	α-helix	trans	-61.1	-40.9	177	0	0	0	0	0	112.5	A205 Q206 R207 V212 K213	A205-A209 WeakPolarHBondContact O-CB 3.41Å; A205-A209 PolarHBondContact O-N 2.93Å; Q206-A209 PolarHBondContact O-N 2.55Å; R207-A209 PolarHBondContact O-N 3.1Å; A209-V212 PolarHBondContact O-N 3.45Å; A209-K213 PolarHBondContact O-N 3.42Å; A209-K213 VanDerWaalsContact O-N 3.09Å
210	K	86.3	Confident	79.8	Confident	140 Å²	140	84.4 Å²	84.4	61%	0.609	44%	0.442	S	S	*	.	H	α-helix	trans	-64.7	-42.1	176.2	-174.9	178.4	178.3	178.2	0	112.2	Q206 R207 T208 K213 D214	Q206-K210 WeakPolarHBondContact O-CB 3.23Å; Q206-K210 PolarHBondContact O-N 3.39Å; R207-K210 PolarHBondContact O-N 3.38Å; T208-K210 VanDerWaalsContact C-N 3.33Å; T208-K210 PolarHBondContact O-N 2.82Å; K210-K213 PolarHBondContact O-N 3.48Å; K210-D214 WeakPolarHBondContact O-CB 3.45Å; K210-D214 PolarHBondContact O-N 2.96Å
211	E	78.9	Confident	77.5	Confident	46 Å²	46	87.1 Å²	87.1	22%	0.215	47%	0.469	C	S	.	.	H	α-helix	trans	-66.5	-37.4	178.5	-71.9	-167.7	160.8	0	0	112.8	S70 R207 T208 D214 R215	S70-E211 WeakPolarHBondContact CB-OE1 3.28Å; S70-E211 PolarHBondContact OG-OE1 2.69Å; R207-E211 PolarHBondContact O-N 2.82Å; T208-E211 PolarHBondContact O-N 3.45Å; E211-D214 PolarHBondContact O-N 2.83Å; E211-R215 WeakPolarHBondContact O-CG 3.37Å; E211-R215 PolarHBondContact O-N 2.89Å
212	V	80.6	Confident	75.4	Confident	98 Å²	98	87.8 Å²	87.8	59%	0.594	48%	0.482	S	S	*	.	H	α-helix	trans	-63.6	-44.7	174.3	172.8	0	0	0	0	110.5	T208 A209 R215 G216	T208-V212 WeakPolarHBondContact O-CG2 3.39Å; T208-V212 PolarHBondContact O-N 2.7Å; A209-V212 PolarHBondContact O-N 3.45Å; V212-R215 PolarHBondContact O-N 2.71Å; V212-G216 PolarHBondContact O-N 3.47Å
213	K	82.8	Confident	73.1	Confident	136 Å²	136	90.9 Å²	90.9	59%	0.591	50%	0.497	S	S	*	.	H	α-helix	trans	-60.4	-49.4	175.5	-172.9	-179.1	176.3	-177.8	0	111.9	A209 K210 R215 G216 D217	A209-K213 PolarHBondContact O-N 3.42Å; A209-K213 VanDerWaalsContact O-N 3.09Å; K210-K213 PolarHBondContact O-N 3.48Å; K213-R215 PolarHBondContact O-N 3.44Å; K213-G216 PolarHBondContact O-N 3.05Å; K213-G216 VanDerWaalsContact O-N 3.09Å; K213-D217 PolarHBondContact O-N 2.78Å
214	D	76.8	Confident	70.6	Confident	77 Å²	77	98 Å²	98	41%	0.412	52%	0.524	S	S	.	.	H	α-helix	trans	-62.4	-25.7	179	-78.6	3.3	0	0	0	113.2	K210 E211 K218	K210-D214 WeakPolarHBondContact O-CB 3.45Å; K210-D214 PolarHBondContact O-N 2.96Å; E211-D214 PolarHBondContact O-N 2.83Å; D214-K218 WeakPolarHBondContact O-CD 3.42Å; D214-K218 VanDerWaalsContact O-CG 3.3Å; D214-K218 WeakPolarHBondContact O-CG 3.48Å
215	R	70.4	Confident	68.6	Low	159 Å²	159	106.4 Å²	106.4	60%	0.6	56%	0.563	S	S	*	*	H	α-helix	trans	-80.6	-40.4	172.6	-77.9	-178.7	174.8	-173.8	-0.5	112	E211 V212 K213 K218 A219	E211-R215 WeakPolarHBondContact O-CG 3.37Å; E211-R215 PolarHBondContact O-N 2.89Å; V212-R215 PolarHBondContact O-N 2.71Å; K213-R215 PolarHBondContact O-N 3.44Å; R215-K218 PolarHBondContact O-N 3.39Å; R215-A219 PolarHBondContact O-N 2.77Å; R215-A219 VanDerWaalsContact O-N 3.09Å
216	G	66.8	Low	65.9	Low	34 Å²	34	110.5 Å²	110.5	35%	0.351	58%	0.576	S	S	.	*	H	α-helix	trans	-60.6	-50	174.8	0	0	0	0	0	112.1	V212 K213 K218 A219 E220	V212-G216 PolarHBondContact O-N 3.47Å; K213-G216 PolarHBondContact O-N 3.05Å; K213-G216 VanDerWaalsContact O-N 3.09Å; G216-K218 PolarHBondContact O-N 3.49Å; G216-K218 VanDerWaalsContact O-N 3.14Å; G216-A219 PolarHBondContact O-N 3.32Å; G216-E220 PolarHBondContact O-N 3.41Å
217	D	64.1	Low	63.4	Low	80 Å²	80	112.5 Å²	112.5	43%	0.428	59%	0.586	S	S	.	*	H	α-helix	trans	-60.3	-28.3	178.2	-66.4	-13.8	0	0	0	112	K213 A221	K213-D217 PolarHBondContact O-N 2.78Å; D217-A221 VanDerWaalsContact O-CB 3.28Å; D217-A221 WeakPolarHBondContact O-CB 3.37Å; D217-A221 PolarHBondContact O-N 3.22Å
218	K	58	Low	61.3	Low	129 Å²	129	114.8 Å²	114.8	56%	0.561	61%	0.612	S	S	*	*	H	α-helix	trans	-81.5	-28.4	175.8	-77.3	177.3	-172.1	167.9	0	114.3	D214 R215 G216	D214-K218 WeakPolarHBondContact O-CD 3.42Å; D214-K218 VanDerWaalsContact O-CG 3.3Å; D214-K218 WeakPolarHBondContact O-CG 3.48Å; R215-K218 PolarHBondContact O-N 3.39Å; G216-K218 PolarHBondContact O-N 3.49Å; G216-K218 VanDerWaalsContact O-N 3.14Å
219	A	49.3	Very low	58.8	Low	71 Å²	71	117.9 Å²	117.9	59%	0.587	63%	0.63	S	S	*	*	H	α-helix	trans	-73.7	-37.7	172.5	0	0	0	0	0	110.6	R215 G216	R215-A219 PolarHBondContact O-N 2.77Å; R215-A219 VanDerWaalsContact O-N 3.09Å; G216-A219 PolarHBondContact O-N 3.32Å
220	E	47.9	Very low	56.6	Low	140 Å²	140	120.3 Å²	120.3	65%	0.654	64%	0.643	S	S	*	*	H	α-helix	trans	-73.2	-28.2	174.4	-69.4	-176.2	154.7	0	0	112.6	G216 V222 Q223	G216-E220 PolarHBondContact O-N 3.41Å; E220-V222 PolarHBondContact O-N 2.97Å; E220-Q223 CarbonylContact O-C 3.48Å; E220-Q223 PolarHBondContact O-N 2.85Å
221	A	45.4	Very low	54.1	Low	86 Å²	86	124.9 Å²	124.9	71%	0.711	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	-5.8	174.7	0	0	0	0	0	115.2	D217	D217-A221 VanDerWaalsContact O-CB 3.28Å; D217-A221 WeakPolarHBondContact O-CB 3.37Å; D217-A221 PolarHBondContact O-N 3.22Å
222	V	52.4	Low	52.3	Low	126 Å²	126	128.6 Å²	128.6	76%	0.764	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	-6.1	172.6	-175	0	0	0	0	112	E220	E220-V222 PolarHBondContact O-N 2.97Å
223	Q	44.8	Very low	49.9	Very low	165 Å²	165	130.1 Å²	130.1	77%	0.771	70%	0.697	S	S	*	*	S	Bend	trans	-130.5	105.1	174.1	-72.6	-178.1	-6.7	0	0	110.4	E220	E220-Q223 CarbonylContact O-C 3.48Å; E220-Q223 PolarHBondContact O-N 2.85Å
224	H	40.9	Very low	47.6	Very low	182 Å²	182	130.5 Å²	130.5	84%	0.843	71%	0.711	S	S	*	*			trans	10.5	125.9	171	-76.3	-5	0	0	0	121.4	N226	H224-N226 PolarHBondContact O-N 2.87Å
225	Q	48.7	Very low	45.7	Very low	178 Å²	178	132.3 Å²	132.3	83%	0.832	73%	0.73	S	S	*	*			trans	5.6	103.4	132.7	-66.8	176.9	1.5	0	0	115.9
226	N	35.6	Very low	44	Very low	148 Å²	148	130 Å²	130	79%	0.791	74%	0.738	S	S	*	*				172.7	151	111.7	-105.7	-25.6	0	0	0	112.9	H224	H224-N226 PolarHBondContact O-N 2.87Å
227	Q	39	Very low	42.5	Very low	172 Å²	172	133 Å²	133	80%	0.804	76%	0.76	S	S	*	*			trans	87.1	106.9	158.7	-71.6	173	28.4	0	0	119.1
228	S	44.3	Very low	41.3	Very low	113 Å²	113	134.5 Å²	134.5	79%	0.79	77%	0.771	S	S	*	*			trans	-63.5	130.7	160.5	52.2	0	0	0	0	112.3
229	V	34.7	Very low	40.6	Very low	133 Å²	133	136 Å²	136	81%	0.806	79%	0.786	S	S	*	*			trans	-136.1	112.7	154.2	-166.2	0	0	0	0	109
230	S	41.1	Very low	40.3	Very low	114 Å²	114	135.6 Å²	135.6	80%	0.797	79%	0.788	S	S	*	*			trans	-70.9	132	175.1	-53	0	0	0	0	110.2
231	R	34	Very low	40.6	Very low	236 Å²	236	135 Å²	135	89%	0.891	79%	0.794	S	S	*	*			trans	-133.6	105.4	171.9	-141.6	172	166.9	175	-6	110.3
232	S	40.9	Very low	41.1	Very low	123 Å²	123	135.1 Å²	135.1	86%	0.86	78%	0.783	S	S	*	*			trans	-67.1	126.3	174.6	-37.2	0	0	0	0	109.5
233	T	31.1	Very low	41.4	Very low	131 Å²	131	135.9 Å²	135.9	80%	0.804	78%	0.783	S	S	*	*			trans	-126.4	117.6	167.8	36	0	0	0	0	108.3
234	T	34.5	Very low	42.5	Very low	143 Å²	143	133.3 Å²	133.3	88%	0.877	77%	0.769	S	S	*	*			trans	-75.6	114.6	171.9	43	0	0	0	0	108.8
235	S	35.3	Very low	43.9	Very low	116 Å²	116	130.1 Å²	130.1	81%	0.811	76%	0.763	S	S	*	*			trans	-96.4	107.5	169.4	53.4	0	0	0	0	109.5	A237	S235-A237 PolarHBondContact O-N 3.46Å
236	S	35.1	Very low	45.7	Very low	111 Å²	111	127.4 Å²	127.4	78%	0.776	75%	0.75	S	S	*	*			trans	-68.7	115.9	166.7	-60.7	0	0	0	0	109	V238	S236-V238 PolarHBondContact O-N 3.39Å
237	A	35.3	Very low	48.5	Very low	96 Å²	96	121.4 Å²	121.4	79%	0.793	72%	0.716	S	S	*	*			trans	-74.2	116.2	171.9	0	0	0	0	0	109.1	S235	S235-A237 PolarHBondContact O-N 3.46Å
238	V	39.1	Very low	51.3	Low	111 Å²	111	119.8 Å²	119.8	67%	0.673	70%	0.703	S	S	*	*			trans	-102.8	100.3	166.6	-76.1	0	0	0	0	107.5	S236 G240	S236-V238 PolarHBondContact O-N 3.39Å; V238-G240 VanDerWaalsContact C-N 3.3Å; V238-G240 PolarHBondContact O-N 2.83Å
239	N	44.2	Very low	53.9	Low	161 Å²	161	114.5 Å²	114.5	86%	0.861	67%	0.666	S	S	*	*			trans	-67.4	91.1	168.3	-87	-18.2	0	0	0	108.5	T241	N239-T241 PolarHBondContact O-N 3.1Å
240	G	42.5	Very low	56.8	Low	63 Å²	63	110.6 Å²	110.6	65%	0.649	64%	0.643	S	S	*	*			trans	-88.4	88.9	172.5	0	0	0	0	0	110.8	V238 D242	V238-G240 VanDerWaalsContact C-N 3.3Å; V238-G240 PolarHBondContact O-N 2.83Å; G240-D242 PolarHBondContact O-N 3.41Å
241	T	53.3	Low	59.5	Low	126 Å²	126	107.1 Å²	107.1	77%	0.773	63%	0.625	S	S	*	*			trans	-76.3	109.1	160.5	49.9	0	0	0	0	107.6	N239 D243	N239-T241 PolarHBondContact O-N 3.1Å; T241-D243 PolarHBondContact O-N 3.46Å
242	D	56.8	Low	62.5	Low	90 Å²	90	99 Å²	99	48%	0.481	60%	0.603	S	S	.	*			trans	-67.3	111.2	175	-154.5	-5.1	0	0	0	108.1	G240 K244 Y247	G240-D242 PolarHBondContact O-N 3.41Å; D242-K244 PolarHBondContact O-N 3.03Å; D242-Y247 PolarHBondContact O-OH 3.21Å
243	D	58.6	Low	65.2	Low	141 Å²	141	99.1 Å²	99.1	75%	0.754	59%	0.59	S	S	*	*			trans	-79.5	41.9	-170.3	-149.2	8	0	0	0	111.6	T241 T245	T241-D243 PolarHBondContact O-N 3.46Å; D243-T245 PolarHBondContact O-N 3.25Å
244	K	67.5	Low	68.3	Low	111 Å²	111	94.1 Å²	94.1	48%	0.483	56%	0.564	S	S	.	*			trans	-74.6	120.7	176.6	-145.1	174.3	-176	173.1	0	108	D242 E246 Y247 K258	D242-K244 PolarHBondContact O-N 3.03Å; K244-E246 VanDerWaalsContact C-N 3.34Å; K244-Y247 HydrophobicContact CB-CE1 4.07Å; K244-Y247 HydrophobicContact CD-CE1 4.33Å; K244-Y247 WeakPolarHBondContact O-CE2 3.36Å; K244-K258 VanDerWaalsContact O-CE 3.23Å; K244-K258 WeakPolarHBondContact O-CE 3.42Å; K244-K258 PolarHBondContact O-NZ 3.1Å
245	T	69.9	Low	71.3	Confident	116 Å²	116	91.9 Å²	91.9	71%	0.712	55%	0.547	S	S	*	.	S	Bend	trans	-76.6	-24.1	-179.1	46.4	0	0	0	0	112.4	D243 K258	D243-T245 PolarHBondContact O-N 3.25Å; T245-K258 WeakPolarHBondContact O-CE 3.31Å
246	E	87.7	Confident	74.2	Confident	120 Å²	120	86.9 Å²	86.9	56%	0.561	51%	0.511	S	S	*	.			trans	-132.4	135.8	179.9	-67.4	-169.1	170.7	0	0	112.9	K244	K244-E246 VanDerWaalsContact C-N 3.34Å
247	Y	94.6	Very high	77.1	Confident	22 Å²	22	84.9 Å²	84.9	9%	0.086	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	139.5	174.5	-64.3	-83	0	0	0	109.2	P194 G195 D242 K244 V256 K258 L274	P194-Y247 HydrophobicContact CB-CD1 3.87Å; P194-Y247 HydrophobicContact CB-CD2 3.36Å; P194-Y247 HydrophobicContact CB-CE1 4.09Å; P194-Y247 HydrophobicContact CB-CE2 3.62Å; P194-Y247 HydrophobicContact CB-CG 3.49Å; P194-Y247 VanDerWaalsContact CB-CG 3.49Å; P194-Y247 HydrophobicContact CG-CD2 4.42Å; P194-Y247 HydrophobicContact CG-CG 4.49Å; G195-Y247 WeakPolarHBondContact CA-OH 3.49Å; G195-Y247 PolarHBondContact N-OH 3.39Å; D242-Y247 PolarHBondContact O-OH 3.21Å; K244-Y247 HydrophobicContact CB-CE1 4.07Å; K244-Y247 HydrophobicContact CD-CE1 4.33Å; K244-Y247 WeakPolarHBondContact O-CE2 3.36Å; Y247-V256 PolarHBondContact O-N 3.07Å; Y247-K258 HydrophobicContact CD2-CG 4.13Å; Y247-K258 HydrophobicContact CE2-CD 4.4Å; Y247-K258 HydrophobicContact CE2-CG 4.03Å; Y247-L274 HydrophobicContact CD1-CD2 3.78Å; Y247-L274 HydrophobicContact CG-CD2 4.36Å
248	R	96.8	Very high	79.9	Confident	139 Å²	139	84.5 Å²	84.5	53%	0.525	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	135.7	-179.8	-61.6	-176.9	72	94.5	-1.4	109.6	H253 G254 L274	R248-H253 PolarHBondContact NE-O 3.46Å; R248-H253 PolarHBondContact NH2-O 3.36Å; R248-G254 WeakPolarHBondContact CA-O 3.13Å; R248-L274 WeakPolarHBondContact O-CD1 3.44Å
249	C	98.1	Very high	82.5	Confident	1 Å²	1	85 Å²	85	1%	0.007	48%	0.477	C	S	.	.			trans	-69.5	131.8	175.8	173.3	0	0	0	0	110.5	G251 H253 G254 V256 L274 H276 C279	C249-G251 VanDerWaalsContact C-N 3.28Å; C249-G251 PolarHBondContact O-N 3.1Å; C249-G251 PolarHBondContact SG-N 2.86Å; C249-H253 WeakPolarHBondContact O-CA 3.08Å; C249-H253 PolarHBondContact O-N 3.02Å; C249-G254 PolarHBondContact N-O 3.25Å; C249-V256 HydrophobicContact CB-CG2 3.94Å; C249-L274 CarbonylContact C-O 3.44Å; C249-L274 WeakPolarHBondContact CA-O 3.28Å; C249-H276 VanDerWaalsContact CB-CE1 3.46Å; C249-H276 WeakPolarHBondContact CB-CE1 3.48Å; C249-H276 VanDerWaalsContact CB-ND1 3.26Å; C249-H276 WeakPolarHBondContact CB-ND1 3.32Å; C249-H276 PolarHBondContact SG-N 3.43Å; C249-H276 VanDerWaalsContact SG-N 3.42Å; C249-H276 PolarHBondContact SG-ND1 3.01Å; C249-C279 VanDerWaalsContact SG-CB 3.56Å
250	T	97.5	Very high	85	Confident	52 Å²	52	78.5 Å²	78.5	32%	0.319	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-29.4	177.1	-53.4	0	0	0	0	112.5	H253 A273 L274 W275	T250-H253 PolarHBondContact O-CE1 2.84Å; T250-A273 HydrophobicContact CG2-CB 4.3Å; T250-A273 WeakPolarHBondContact OG1-CA 3.49Å; T250-A273 WeakPolarHBondContact OG1-CB 3.37Å; T250-L274 PolarHBondContact N-O 3.48Å; T250-L274 PolarHBondContact OG1-N 3.48Å; T250-L274 PolarHBondContact OG1-O 2.87Å; T250-W275 HydrophobicContact CG2-CZ2 3.78Å
251	G	96.7	Very high	87.6	Confident	41 Å²	41	75.7 Å²	75.7	42%	0.423	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-55.5	-179.2	0	0	0	0	0	114.3	C249	C249-G251 VanDerWaalsContact C-N 3.28Å; C249-G251 PolarHBondContact O-N 3.1Å; C249-G251 PolarHBondContact SG-N 2.86Å
252	C	97.4	Very high	89.8	Confident	65 Å²	65	69.7 Å²	69.7	44%	0.439	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-5.4	-176.1	70.3	0	0	0	0	114.1	G254 H276	C252-G254 PolarHBondContact O-N 3.23Å; C252-G254 PolarHBondContact SG-N 3.2Å; C252-H276 VanDerWaalsContact SG-CE1 3.54Å; C252-H276 PolarHBondContact SG-ND1 3.01Å
253	H	96.9	Very high	91.8	Very high	126 Å²	126	65.4 Å²	65.4	58%	0.583	35%	0.354	S	S	*	.			trans	58.7	6.6	-171.3	-52.7	-55.5	0	0	0	115.1	R248 C249 T250	R248-H253 PolarHBondContact NE-O 3.46Å; R248-H253 PolarHBondContact NH2-O 3.36Å; C249-H253 WeakPolarHBondContact O-CA 3.08Å; C249-H253 PolarHBondContact O-N 3.02Å; T250-H253 PolarHBondContact O-CE1 2.84Å
254	G	97.2	Very high	93.6	Very high	25 Å²	25	58.9 Å²	58.9	26%	0.258	32%	0.319	S	S	.	.			trans	-73.5	158.4	176.1	0	0	0	0	0	112.9	R248 C249 C252	R248-G254 WeakPolarHBondContact CA-O 3.13Å; C249-G254 PolarHBondContact N-O 3.25Å; C252-G254 PolarHBondContact O-N 3.23Å; C252-G254 PolarHBondContact SG-N 3.2Å
255	N	96.6	Very high	95.1	Very high	96 Å²	96	53.6 Å²	53.6	51%	0.513	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	148.8	175.9	-69.4	59.1	0	0	0	111.4	H276	N255-H276 PolarHBondContact O-NE2 3.43Å
256	V	96.7	Very high	96.3	Very high	11 Å²	11	52 Å²	52	7%	0.067	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	126.7	179.5	176.2	0	0	0	0	108.6	P194 Y247 C249 V262 L274 H276	P194-V256 HydrophobicContact CG-CG1 3.51Å; Y247-V256 PolarHBondContact O-N 3.07Å; C249-V256 HydrophobicContact CB-CG2 3.94Å; V256-V262 HydrophobicContact CG1-CG1 3.34Å; V256-L274 HydrophobicContact CB-CD1 4.29Å; V256-L274 HydrophobicContact CG1-CD1 4.31Å; V256-L274 HydrophobicContact CG2-CD1 3.67Å; V256-H276 WeakPolarHBondContact CG2-NE2 3.32Å
257	S	95.3	Very high	96.7	Very high	69 Å²	69	49.6 Å²	49.6	48%	0.483	27%	0.266	S	S	.	.			trans	-71.8	137.9	174.6	178.2	0	0	0	0	110.9	P194 D259 S260	P194-S257 WeakPolarHBondContact CG-O 3.24Å; S257-D259 PolarHBondContact O-N 2.66Å; S257-D259 VanDerWaalsContact O-N 3.16Å; S257-D259 PolarHBondContact OG-N 3.02Å; S257-S260 PolarHBondContact O-N 3.33Å
258	K	94.5	Very high	96.8	Very high	88 Å²	88	49.2 Å²	49.2	38%	0.383	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-24.2	178.1	-65.4	-170	175.8	-163.5	0	113.5	P194 K244 T245 Y247	P194-K258 WeakPolarHBondContact CD-O 3.27Å; K244-K258 VanDerWaalsContact O-CE 3.23Å; K244-K258 WeakPolarHBondContact O-CE 3.42Å; K244-K258 PolarHBondContact O-NZ 3.1Å; T245-K258 WeakPolarHBondContact O-CE 3.31Å; Y247-K258 HydrophobicContact CD2-CG 4.13Å; Y247-K258 HydrophobicContact CE2-CD 4.4Å; Y247-K258 HydrophobicContact CE2-CG 4.03Å
259	D	94.1	Very high	96.7	Very high	122 Å²	122	43.5 Å²	43.5	65%	0.652	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	1.9	-179.8	-56.9	-53.7	0	0	0	113.4	S257	S257-D259 PolarHBondContact O-N 2.66Å; S257-D259 VanDerWaalsContact O-N 3.16Å; S257-D259 PolarHBondContact OG-N 3.02Å
260	S	96.3	Very high	96.4	Very high	25 Å²	25	44.1 Å²	44.1	18%	0.175	25%	0.254	C	S	.	.	S	Bend	trans	-99.4	131.6	-179.8	-177.7	0	0	0	0	110.7	P194 S257	P194-S260 VanDerWaalsContact CD-O 3.24Å; P194-S260 WeakPolarHBondContact CD-O 3.37Å; S257-S260 PolarHBondContact O-N 3.33Å
261	P	97.8	Very high	96	Very high	3 Å²	3	46 Å²	46	2%	0.019	26%	0.259	C	S	.	.			trans	-53.3	141.3	172.3	-17.9	21	0	0	0	112.7	L120 Q123 Y124 L127 V191 P277	L120-P261 HydrophobicContact CD1-CB 4.25Å; L120-P261 HydrophobicContact CD1-CG 3.79Å; Q123-P261 HydrophobicContact CB-CG 3.69Å; Y124-P261 HydrophobicContact CD2-CB 4.47Å; L127-P261 HydrophobicContact CD1-CB 4.24Å; L127-P261 HydrophobicContact CD1-CG 4.05Å; V191-P261 HydrophobicContact CG1-CB 4.09Å; P261-P277 WeakPolarHBondContact O-CD 3.15Å
262	V	98.3	Very high	95.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	161.1	171.1	-65.2	0	0	0	0	110.4	V191 G192 P194 V256 Y264 L274 W275	V191-V262 VanDerWaalsContact CA-O 3.31Å; V191-V262 WeakPolarHBondContact CA-O 3.43Å; G192-V262 PolarHBondContact N-O 3.09Å; G192-V262 WeakPolarHBondContact O-CG2 3.39Å; G192-V262 PolarHBondContact O-N 2.65Å; P194-V262 HydrophobicContact CG-CG1 3.94Å; P194-V262 HydrophobicContact CG-CG2 4.24Å; V256-V262 HydrophobicContact CG1-CG1 3.34Å; V262-Y264 HydrophobicContact CG2-CD2 4.1Å; V262-Y264 HydrophobicContact CG2-CE2 3.46Å; V262-Y264 VanDerWaalsContact CG2-CE2 3.46Å; V262-L274 HydrophobicContact CB-CB 4.41Å; V262-L274 HydrophobicContact CG1-CD1 4.09Å; V262-L274 HydrophobicContact CG2-CB 4.34Å; V262-W275 CarbonylContact C-O 3.57Å; V262-W275 WeakPolarHBondContact CA-O 3.39Å; V262-W275 WeakPolarHBondContact CB-O 3.3Å
263	V	98.6	Very high	95.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	129.9	171.5	-171.1	0	0	0	0	108.3	Y124 V191 L274 W275 F280 L292	Y124-V263 HydrophobicContact CE2-CG2 4.09Å; V191-V263 HydrophobicContact CG2-CG2 4.26Å; V263-L274 WeakPolarHBondContact O-CA 3.45Å; V263-W275 PolarHBondContact N-O 2.81Å; V263-W275 PolarHBondContact O-N 3.17Å; V263-F280 HydrophobicContact CB-CB 4.31Å; V263-F280 HydrophobicContact CB-CD2 3.89Å; V263-F280 HydrophobicContact CB-CE2 4.41Å; V263-F280 HydrophobicContact CB-CG 4.08Å; V263-F280 HydrophobicContact CG1-CB 4.5Å; V263-F280 HydrophobicContact CG1-CD1 4.08Å; V263-F280 HydrophobicContact CG1-CD2 3.59Å; V263-F280 HydrophobicContact CG1-CE1 4.17Å; V263-F280 HydrophobicContact CG1-CE2 3.7Å; V263-F280 HydrophobicContact CG1-CG 3.79Å; V263-F280 HydrophobicContact CG1-CZ 3.99Å; V263-F280 HydrophobicContact CG2-CB 4.15Å; V263-F280 HydrophobicContact CG2-CG 4.32Å; V263-L292 HydrophobicContact CG1-CD1 4.47Å; V263-L292 HydrophobicContact CG1-CD2 4.11Å; V263-L292 HydrophobicContact CG2-CD2 4.1Å
264	Y	98.2	Very high	95.5	Very high	4 Å²	4	42.4 Å²	42.4	2%	0.016	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	147.8	168.3	-65	-87.7	0	0	0	110	G189 E190 L193 P194 G195 L200 V262 Y270 L274	G189-Y264 CarbonylContact C-O 3.34Å; G189-Y264 VanDerWaalsContact CA-O 3.25Å; G189-Y264 WeakPolarHBondContact CA-O 3.47Å; E190-Y264 PolarHBondContact N-O 2.72Å; E190-Y264 PolarHBondContact O-N 3.36Å; L193-Y264 PolarHBondContact O-OH 2.96Å; P194-Y264 VanDerWaalsContact CA-OH 3.27Å; P194-Y264 WeakPolarHBondContact CA-OH 3.2Å; G195-Y264 PolarHBondContact N-OH 3.08Å; G195-Y264 VanDerWaalsContact N-OH 3.1Å; L200-Y264 HydrophobicContact CD1-CD2 3.38Å; L200-Y264 HydrophobicContact CD1-CE2 3.85Å; L200-Y264 HydrophobicContact CD1-CG 3.97Å; V262-Y264 HydrophobicContact CG2-CD2 4.1Å; V262-Y264 HydrophobicContact CG2-CE2 3.46Å; V262-Y264 VanDerWaalsContact CG2-CE2 3.46Å; Y264-Y270 HydrophobicContact CD1-CD1 4.3Å; Y264-Y270 HydrophobicContact CG-CD1 4.23Å; Y264-L274 HydrophobicContact CD1-CB 4.14Å; Y264-L274 HydrophobicContact CE1-CB 3.98Å; Y264-L274 HydrophobicContact CE1-CD2 4.35Å
265	A	97.6	Very high	95.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.221	C	C	.	.			trans	-123.6	111.8	172.5	0	0	0	0	0	108.9	R267 A268 G269 W275 F280 Y294	A265-R267 PolarHBondContact O-N 3.37Å; A265-R267 VanDerWaalsContact O-N 3.15Å; A265-A268 HydrophobicContact CB-CB 4.09Å; A265-A268 PolarHBondContact O-N 3.47Å; A265-G269 PolarHBondContact O-N 2.76Å; A265-W275 HydrophobicContact CB-CH2 4.04Å; A265-W275 HydrophobicContact CB-CZ3 3.67Å; A265-F280 HydrophobicContact CB-CE2 4.12Å; A265-F280 HydrophobicContact CB-CZ 4.4Å; A265-Y294 HydrophobicContact CB-CD1 4.49Å; A265-Y294 HydrophobicContact CB-CE1 3.8Å; A265-Y294 HydrophobicContact CB-CE2 4.02Å
266	E	95.6	Very high	95.6	Very high	82 Å²	82	38.9 Å²	38.9	38%	0.383	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-45.3	-47.8	-179.6	178.8	174.1	-160.8	0	0	113.1	A268 G269 Y270 Y294	E266-A268 PolarHBondContact O-N 3.05Å; E266-G269 PolarHBondContact O-N 3.38Å; E266-Y270 HydrophobicContact CB-CE2 3.83Å; E266-Y270 HydrophobicContact CG-CE2 3.75Å; E266-Y294 PolarHBondContact N-OH 3.34Å
267	R	95.8	Very high	95.7	Very high	70 Å²	70	38.8 Å²	38.8	26%	0.264	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-71	-18.5	-175.5	-62	-173.2	-178.2	-79.1	-1.9	114.2	L183 E184 V185 L186 A265 Y294 W296	L183-R267 PolarHBondContact O-NH1 3Å; L183-R267 PolarHBondContact O-NH2 3.24Å; E184-R267 VanDerWaalsContact O-CZ 3.26Å; E184-R267 PolarHBondContact O-NH1 3.42Å; V185-R267 VanDerWaalsContact C-NE 3.29Å; V185-R267 VanDerWaalsContact O-CD 3.26Å; V185-R267 WeakPolarHBondContact O-CD 3.25Å; V185-R267 PolarHBondContact O-NE 3.01Å; L186-R267 VanDerWaalsContact O-CZ 3.29Å; L186-R267 PolarHBondContact O-NE 2.95Å; L186-R267 PolarHBondContact O-NH2 3.32Å; A265-R267 PolarHBondContact O-N 3.37Å; A265-R267 VanDerWaalsContact O-N 3.15Å; R267-Y294 HydrophobicContact CB-CE2 4.22Å; R267-Y294 HydrophobicContact CG-CE2 4.43Å; R267-Y294 PolarHBondContact N-OH 2.97Å; R267-W296 HydrophobicContact CB-CB 3.77Å; R267-W296 HydrophobicContact CB-CG 3.85Å; R267-W296 PolarHBondContact O-NE1 2.89Å
268	A	96.3	Very high	95.8	Very high	15 Å²	15	38.9 Å²	38.9	12%	0.124	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-90	-4.6	173.3	0	0	0	0	0	112.9	A265 E266 A273 W275 W296	A265-A268 HydrophobicContact CB-CB 4.09Å; A265-A268 PolarHBondContact O-N 3.47Å; E266-A268 PolarHBondContact O-N 3.05Å; A268-A273 HydrophobicContact CB-CB 3.89Å; A268-W275 HydrophobicContact CB-CH2 3.52Å; A268-W275 HydrophobicContact CB-CZ3 4.25Å; A268-W296 HydrophobicContact CB-CD2 4.1Å; A268-W296 HydrophobicContact CB-CE3 4.08Å; A268-W296 HydrophobicContact CB-CH2 3.54Å; A268-W296 HydrophobicContact CB-CZ2 3.54Å; A268-W296 HydrophobicContact CB-CZ3 3.82Å
269	G	94.6	Very high	96	Very high	18 Å²	18	35.8 Å²	35.8	19%	0.186	19%	0.191	C	C	.	.			trans	88.5	120.4	-178.4	0	0	0	0	0	112.8	A265 E266 H271 D272 A273	A265-G269 PolarHBondContact O-N 2.76Å; E266-G269 PolarHBondContact O-N 3.38Å; G269-H271 PolarHBondContact O-N 3.41Å; G269-D272 PolarHBondContact O-N 3.02Å; G269-D272 VanDerWaalsContact O-N 3.16Å; G269-A273 PolarHBondContact O-N 3.09Å; G269-A273 VanDerWaalsContact O-N 3.09Å
270	Y	92.8	Very high	96.2	Very high	14 Å²	14	30.1 Å²	30.1	6%	0.055	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-22.3	179.9	-74.7	-72.7	0	0	0	115.1	E190 G197 L200 K201 A204 Y264 E266	E190-Y270 PolarHBondContact OE2-OH 3.47Å; G197-Y270 WeakPolarHBondContact O-CB 3.2Å; L200-Y270 HydrophobicContact CB-CD1 3.93Å; L200-Y270 HydrophobicContact CB-CE1 3.6Å; L200-Y270 HydrophobicContact CD1-CE1 4.32Å; K201-Y270 HydrophobicContact CB-CD2 3.52Å; K201-Y270 HydrophobicContact CB-CE2 4.01Å; K201-Y270 HydrophobicContact CB-CG 4.03Å; K201-Y270 HydrophobicContact CG-CD2 3.91Å; K201-Y270 HydrophobicContact CG-CE2 4.4Å; A204-Y270 HydrophobicContact CB-CE2 4.46Å; Y264-Y270 HydrophobicContact CD1-CD1 4.3Å; Y264-Y270 HydrophobicContact CG-CD1 4.23Å; E266-Y270 HydrophobicContact CB-CE2 3.83Å; E266-Y270 HydrophobicContact CG-CE2 3.75Å
271	H	88.3	Confident	96.3	Very high	92 Å²	92	30.9 Å²	30.9	43%	0.426	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-20.8	178.1	-58.2	-76.3	0	0	0	112.5	G269	G269-H271 PolarHBondContact O-N 3.41Å
272	D	87.5	Confident	96.4	Very high	135 Å²	135	30.7 Å²	30.7	72%	0.722	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-29.7	-167.7	-56.5	-52.6	0	0	0	111.8	G269	G269-D272 PolarHBondContact O-N 3.02Å; G269-D272 VanDerWaalsContact O-N 3.16Å
273	A	95.4	Very high	96.4	Very high	8 Å²	8	33.8 Å²	33.8	7%	0.066	19%	0.185	C	C	.	.			trans	-141.1	138.8	-172.8	0	0	0	0	0	114.3	T250 A268 G269 W275	T250-A273 HydrophobicContact CG2-CB 4.3Å; T250-A273 WeakPolarHBondContact OG1-CA 3.49Å; T250-A273 WeakPolarHBondContact OG1-CB 3.37Å; A268-A273 HydrophobicContact CB-CB 3.89Å; G269-A273 PolarHBondContact O-N 3.09Å; G269-A273 VanDerWaalsContact O-N 3.09Å; A273-W275 HydrophobicContact CB-CH2 3.34Å; A273-W275 HydrophobicContact CB-CZ2 4.02Å; A273-W275 HydrophobicContact CB-CZ3 3.66Å
274	L	97.8	Very high	96.3	Very high	14 Å²	14	39.1 Å²	39.1	7%	0.073	21%	0.21	C	C	.	.			trans	-150	150.6	171.6	59.4	86.3	0	0	0	109.6	Y247 R248 C249 T250 V256 V262 V263 Y264	Y247-L274 HydrophobicContact CD1-CD2 3.78Å; Y247-L274 HydrophobicContact CG-CD2 4.36Å; R248-L274 WeakPolarHBondContact O-CD1 3.44Å; C249-L274 CarbonylContact C-O 3.44Å; C249-L274 WeakPolarHBondContact CA-O 3.28Å; T250-L274 PolarHBondContact N-O 3.48Å; T250-L274 PolarHBondContact OG1-N 3.48Å; T250-L274 PolarHBondContact OG1-O 2.87Å; V256-L274 HydrophobicContact CB-CD1 4.29Å; V256-L274 HydrophobicContact CG1-CD1 4.31Å; V256-L274 HydrophobicContact CG2-CD1 3.67Å; V262-L274 HydrophobicContact CB-CB 4.41Å; V262-L274 HydrophobicContact CG1-CD1 4.09Å; V262-L274 HydrophobicContact CG2-CB 4.34Å; V263-L274 WeakPolarHBondContact O-CA 3.45Å; Y264-L274 HydrophobicContact CD1-CB 4.14Å; Y264-L274 HydrophobicContact CE1-CB 3.98Å; Y264-L274 HydrophobicContact CE1-CD2 4.35Å
275	W	98.6	Very high	96.3	Very high	10 Å²	10	41 Å²	41	4%	0.038	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-126.6	144.5	-179.4	-64.5	-102.9	0	0	0	111.3	T250 V262 V263 A265 A268 A273 C279 F280 W296 L301	T250-W275 HydrophobicContact CG2-CZ2 3.78Å; V262-W275 CarbonylContact C-O 3.57Å; V262-W275 WeakPolarHBondContact CA-O 3.39Å; V262-W275 WeakPolarHBondContact CB-O 3.3Å; V263-W275 PolarHBondContact N-O 2.81Å; V263-W275 PolarHBondContact O-N 3.17Å; A265-W275 HydrophobicContact CB-CH2 4.04Å; A265-W275 HydrophobicContact CB-CZ3 3.67Å; A268-W275 HydrophobicContact CB-CH2 3.52Å; A268-W275 HydrophobicContact CB-CZ3 4.25Å; A273-W275 HydrophobicContact CB-CH2 3.34Å; A273-W275 HydrophobicContact CB-CZ2 4.02Å; A273-W275 HydrophobicContact CB-CZ3 3.66Å; W275-C279 HydrophobicContact CB-CB 4.36Å; W275-F280 HydrophobicContact CB-CB 4.19Å; W275-F280 HydrophobicContact CB-CD2 3.97Å; W275-F280 AromaticContact CD2-CD2 3.9Å; W275-F280 HydrophobicContact CD2-CD2 3.9Å; W275-F280 HydrophobicContact CD2-CE2 4.27Å; W275-F280 AromaticContact CE3-CD2 3.95Å; W275-F280 HydrophobicContact CE3-CD2 3.95Å; W275-F280 AromaticContact CE3-CE2 3.97Å; W275-F280 HydrophobicContact CE3-CE2 3.97Å; W275-F280 AromaticContact CG-CD2 3.92Å; W275-F280 HydrophobicContact CG-CD2 3.92Å; W275-F280 HydrophobicContact CZ3-CE2 4.36Å; W275-W296 HydrophobicContact CH2-CZ3 4.31Å; W275-W296 HydrophobicContact CZ2-CH2 4.49Å; W275-W296 HydrophobicContact CZ2-CZ3 4.17Å; W275-L301 HydrophobicContact CD2-CD1 4.07Å; W275-L301 HydrophobicContact CG-CD1 4.39Å; W275-L301 HydrophobicContact CZ2-CD1 3.88Å; W275-L301 HydrophobicContact CZ2-CG 4.17Å
276	H	98.5	Very high	96.3	Very high	37 Å²	37	43.4 Å²	43.4	17%	0.171	25%	0.248	C	C	.	.			trans	-57.6	149.8	157.7	-60.6	112.4	0	0	0	109.1	C249 C252 N255 V256 T278 C279 F280	C249-H276 VanDerWaalsContact CB-CE1 3.46Å; C249-H276 WeakPolarHBondContact CB-CE1 3.48Å; C249-H276 VanDerWaalsContact CB-ND1 3.26Å; C249-H276 WeakPolarHBondContact CB-ND1 3.32Å; C249-H276 PolarHBondContact SG-N 3.43Å; C249-H276 VanDerWaalsContact SG-N 3.42Å; C249-H276 PolarHBondContact SG-ND1 3.01Å; C252-H276 VanDerWaalsContact SG-CE1 3.54Å; C252-H276 PolarHBondContact SG-ND1 3.01Å; N255-H276 PolarHBondContact O-NE2 3.43Å; V256-H276 WeakPolarHBondContact CG2-NE2 3.32Å; H276-T278 PolarHBondContact O-N 3.46Å; H276-T278 VanDerWaalsContact O-N 3.12Å; H276-C279 HydrophobicContact CB-CB 4.1Å; H276-C279 PolarHBondContact O-N 3.23Å; H276-F280 PolarHBondContact O-N 3.09Å
277	P	98.1	Very high	96.3	Very high	9 Å²	9	43.6 Å²	43.6	6%	0.058	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-49.5	-39.4	175.6	-32.8	39.4	0	0	0	114	Y124 L127 L128 P261	Y124-P277 HydrophobicContact CD2-CB 4Å; Y124-P277 HydrophobicContact CD2-CG 3.67Å; Y124-P277 HydrophobicContact CE2-CB 3.56Å; Y124-P277 HydrophobicContact CE2-CG 3.68Å; L127-P277 HydrophobicContact CB-CB 4.33Å; L127-P277 HydrophobicContact CB-CG 4.1Å; L127-P277 HydrophobicContact CD1-CG 3.73Å; L128-P277 HydrophobicContact CD2-CB 3.96Å; P261-P277 WeakPolarHBondContact O-CD 3.15Å
278	T	97.7	Very high	96.4	Very high	70 Å²	70	41.8 Å²	41.8	43%	0.429	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-80.1	-13.3	179.1	54.4	0	0	0	0	114.5	L127 H276 V281	L127-T278 VanDerWaalsContact O-CG2 3.27Å; L127-T278 WeakPolarHBondContact O-CG2 3.42Å; H276-T278 PolarHBondContact O-N 3.46Å; H276-T278 VanDerWaalsContact O-N 3.12Å; T278-V281 WeakPolarHBondContact O-CG1 3.41Å
279	C	98.4	Very high	96.5	Very high	23 Å²	23	41.5 Å²	41.5	16%	0.155	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-96.1	-5.9	177.4	-67	0	0	0	0	112.7	C249 W275 H276 V281	C249-C279 VanDerWaalsContact SG-CB 3.56Å; W275-C279 HydrophobicContact CB-CB 4.36Å; H276-C279 HydrophobicContact CB-CB 4.1Å; H276-C279 PolarHBondContact O-N 3.23Å; C279-V281 PolarHBondContact O-N 3.33Å
280	F	98.6	Very high	96.5	Very high	3 Å²	3	41 Å²	41	1%	0.013	24%	0.242	C	C	.	.			trans	-81.7	69.8	176.2	-159.4	-100.9	0	0	0	110.6	V263 A265 W275 H276 L289 L292 Y294 L301	V263-F280 HydrophobicContact CB-CB 4.31Å; V263-F280 HydrophobicContact CB-CD2 3.89Å; V263-F280 HydrophobicContact CB-CE2 4.41Å; V263-F280 HydrophobicContact CB-CG 4.08Å; V263-F280 HydrophobicContact CG1-CB 4.5Å; V263-F280 HydrophobicContact CG1-CD1 4.08Å; V263-F280 HydrophobicContact CG1-CD2 3.59Å; V263-F280 HydrophobicContact CG1-CE1 4.17Å; V263-F280 HydrophobicContact CG1-CE2 3.7Å; V263-F280 HydrophobicContact CG1-CG 3.79Å; V263-F280 HydrophobicContact CG1-CZ 3.99Å; V263-F280 HydrophobicContact CG2-CB 4.15Å; V263-F280 HydrophobicContact CG2-CG 4.32Å; A265-F280 HydrophobicContact CB-CE2 4.12Å; A265-F280 HydrophobicContact CB-CZ 4.4Å; W275-F280 HydrophobicContact CB-CB 4.19Å; W275-F280 HydrophobicContact CB-CD2 3.97Å; W275-F280 AromaticContact CD2-CD2 3.9Å; W275-F280 HydrophobicContact CD2-CD2 3.9Å; W275-F280 HydrophobicContact CD2-CE2 4.27Å; W275-F280 AromaticContact CE3-CD2 3.95Å; W275-F280 HydrophobicContact CE3-CD2 3.95Å; W275-F280 AromaticContact CE3-CE2 3.97Å; W275-F280 HydrophobicContact CE3-CE2 3.97Å; W275-F280 AromaticContact CG-CD2 3.92Å; W275-F280 HydrophobicContact CG-CD2 3.92Å; W275-F280 HydrophobicContact CZ3-CE2 4.36Å; H276-F280 PolarHBondContact O-N 3.09Å; F280-L289 HydrophobicContact CD1-CB 3.96Å; F280-L289 HydrophobicContact CD1-CD1 3.79Å; F280-L289 HydrophobicContact CD1-CG 4.42Å; F280-L289 HydrophobicContact CE1-CB 4.06Å; F280-L289 HydrophobicContact CE1-CD1 3.6Å; F280-L289 HydrophobicContact CE1-CG 4.47Å; F280-L289 HydrophobicContact CZ-CD1 4.21Å; F280-L289 PolarHBondContact O-N 3.27Å; F280-L289 VanDerWaalsContact O-N 3.14Å; F280-L292 HydrophobicContact CD1-CD2 3.78Å; F280-L292 HydrophobicContact CE1-CB 4.32Å; F280-L292 HydrophobicContact CE1-CD2 4.23Å; F280-L292 HydrophobicContact CG-CD2 4.5Å; F280-Y294 HydrophobicContact CE1-CD1 4.17Å; F280-Y294 AromaticContact CZ-CD1 3.6Å; F280-Y294 HydrophobicContact CZ-CD1 3.6Å; F280-Y294 HydrophobicContact CZ-CE1 4.28Å; F280-Y294 AromaticContact CZ-CG 3.96Å; F280-Y294 HydrophobicContact CZ-CG 3.96Å; F280-L301 HydrophobicContact CD2-CD1 3.54Å; F280-L301 HydrophobicContact CE2-CD1 3.55Å; F280-L301 HydrophobicContact CE2-CD2 3.73Å; F280-L301 HydrophobicContact CE2-CG 4.32Å; F280-L301 HydrophobicContact CG-CD1 4.21Å; F280-L301 HydrophobicContact CZ-CD1 4.22Å; F280-L301 HydrophobicContact CZ-CD2 3.81Å
281	V	98.6	Very high	96.7	Very high	41 Å²	41	40.6 Å²	40.6	25%	0.248	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-118.9	156.5	-171.2	-58.6	0	0	0	0	111.4	T278 C279 S283 H287 L301	T278-V281 WeakPolarHBondContact O-CG1 3.41Å; C279-V281 PolarHBondContact O-N 3.33Å; V281-S283 PolarHBondContact O-N 2.83Å; V281-H287 CarbonylContact C-O 3.56Å; V281-H287 VanDerWaalsContact CA-O 3.31Å; V281-H287 WeakPolarHBondContact CA-O 3.22Å; V281-H287 WeakPolarHBondContact CB-O 3.49Å; V281-L301 WeakPolarHBondContact O-CB 3.33Å
282	C	98.6	Very high	97.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	22%	0.222	C	C	.	.			trans	-67.4	130.1	169.8	176	0	0	0	0	110.4	E284 G286 H287 L289 L301 C303 H306	C282-E284 PolarHBondContact O-N 2.93Å; C282-G286 VanDerWaalsContact O-CA 3.27Å; C282-G286 WeakPolarHBondContact O-CA 3.46Å; C282-G286 PolarHBondContact O-N 3.26Å; C282-H287 PolarHBondContact N-O 2.87Å; C282-L289 HydrophobicContact CB-CD2 3.93Å; C282-L301 CarbonylContact C-O 3.5Å; C282-L301 WeakPolarHBondContact CA-O 3.3Å; C282-C303 HydrophobicContact CB-CB 4.09Å; C282-C303 PolarHBondContact SG-N 2.66Å; C282-H306 PolarHBondContact SG-ND1 2.71Å
283	S	98.3	Very high	97.7	Very high	65 Å²	65	30.2 Å²	30.2	46%	0.455	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-16.3	-179	-56.6	0	0	0	0	114.6	V281 L301	V281-S283 PolarHBondContact O-N 2.83Å; S283-L301 PolarHBondContact N-O 3.3Å; S283-L301 PolarHBondContact OG-O 2.67Å
284	E	98.2	Very high	97.8	Very high	111 Å²	111	29.9 Å²	29.9	52%	0.519	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-42	-179.1	-59.4	-58.6	139.4	0	0	112.5	C282 K300 L302 H306	C282-E284 PolarHBondContact O-N 2.93Å; E284-K300 IonicContact OE1-NZ 3.86Å; E284-L302 HydrophobicContact CG-CD2 3.57Å; E284-H306 HydrophobicContact CB-CB 4.03Å; E284-H306 HydrophobicContact CG-CB 4.04Å
285	C	97.1	Very high	97.9	Very high	43 Å²	43	29.4 Å²	29.4	29%	0.291	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-5.7	179.9	66.4	0	0	0	0	115.7	H287 H306	C285-H287 PolarHBondContact O-N 2.89Å; C285-H287 PolarHBondContact O-ND1 3.45Å; C285-H287 PolarHBondContact SG-ND1 3.48Å; C285-H306 WeakPolarHBondContact CB-CE1 3.48Å; C285-H306 VanDerWaalsContact SG-CE1 3.55Å
286	G	97.3	Very high	97.9	Very high	51 Å²	51	31.3 Å²	31.3	53%	0.526	19%	0.19	S	C	.	.			trans	68.6	-0.9	179.7	0	0	0	0	0	115.5	C282	C282-G286 VanDerWaalsContact O-CA 3.27Å; C282-G286 WeakPolarHBondContact O-CA 3.46Å; C282-G286 PolarHBondContact O-N 3.26Å
287	H	96.6	Very high	97.8	Very high	87 Å²	87	30.7 Å²	30.7	40%	0.403	19%	0.19	S	C	.	.			trans	-76.7	145.4	177.4	-62.3	106.4	0	0	0	111.5	H147 V281 C282 C285 L289	H147-H287 AromaticContact CE1-CD2 3.56Å; H147-H287 AromaticContact NE2-CD2 3.9Å; V281-H287 CarbonylContact C-O 3.56Å; V281-H287 VanDerWaalsContact CA-O 3.31Å; V281-H287 WeakPolarHBondContact CA-O 3.22Å; V281-H287 WeakPolarHBondContact CB-O 3.49Å; C282-H287 PolarHBondContact N-O 2.87Å; C285-H287 PolarHBondContact O-N 2.89Å; C285-H287 PolarHBondContact O-ND1 3.45Å; C285-H287 PolarHBondContact SG-ND1 3.48Å; H287-L289 PolarHBondContact O-N 3.42Å
288	G	97.4	Very high	97.7	Very high	32 Å²	32	36.8 Å²	36.8	33%	0.33	22%	0.222	S	C	.	.	B	Isolated β-bridge	trans	-54.7	136.6	170	0	0	0	0	0	111.5	Q151 A290	Q151-G288 PolarHBondContact NE2-O 3.42Å; G288-A290 PolarHBondContact O-N 3.18Å
289	L	98.3	Very high	97.6	Very high	9 Å²	9	41.5 Å²	41.5	5%	0.047	24%	0.24	C	C	.	.			trans	-72.9	114.8	-178.9	-70.8	166.2	0	0	0	110	F280 C282 H287 D291 L292 L301 C303	F280-L289 HydrophobicContact CD1-CB 3.96Å; F280-L289 HydrophobicContact CD1-CD1 3.79Å; F280-L289 HydrophobicContact CD1-CG 4.42Å; F280-L289 HydrophobicContact CE1-CB 4.06Å; F280-L289 HydrophobicContact CE1-CD1 3.6Å; F280-L289 HydrophobicContact CE1-CG 4.47Å; F280-L289 HydrophobicContact CZ-CD1 4.21Å; F280-L289 PolarHBondContact O-N 3.27Å; F280-L289 VanDerWaalsContact O-N 3.14Å; C282-L289 HydrophobicContact CB-CD2 3.93Å; H287-L289 PolarHBondContact O-N 3.42Å; L289-D291 PolarHBondContact O-N 3.4Å; L289-L292 PolarHBondContact O-N 3.29Å; L289-L301 HydrophobicContact CD1-CB 4Å; L289-L301 HydrophobicContact CD1-CD1 4.36Å; L289-L301 HydrophobicContact CD1-CD2 4.31Å; L289-L301 HydrophobicContact CD1-CG 4.47Å; L289-C303 HydrophobicContact CD2-CB 3.78Å
290	A	95.3	Very high	97.5	Very high	8 Å²	8	45 Å²	45	7%	0.066	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-61.2	130.2	-172.3	0	0	0	0	0	110.4	H147 L148 G288 L292 V293	H147-A290 HydrophobicContact CB-CB 4.26Å; L148-A290 HydrophobicContact CB-CB 4.06Å; L148-A290 HydrophobicContact CD1-CB 3.77Å; G288-A290 PolarHBondContact O-N 3.18Å; A290-L292 PolarHBondContact O-N 3.41Å; A290-L292 VanDerWaalsContact O-N 3.08Å; A290-V293 PolarHBondContact O-N 2.9Å
291	D	96.6	Very high	97.5	Very high	5 Å²	5	45.1 Å²	45.1	3%	0.027	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	54	24.9	-176.6	-60.9	-8.9	0	0	0	114.7	M60 W111 R144 L148 L289 V293	M60-D291 HydrophobicContact CE-CB 4.27Å; W111-D291 VanDerWaalsContact CD1-CG 3.49Å; W111-D291 VanDerWaalsContact CZ2-CA 3.48Å; W111-D291 HydrophobicContact CZ2-CB 4.1Å; W111-D291 PolarHBondContact NE1-OD1 2.95Å; R144-D291 IonicContact CZ-OD1 2.73Å; R144-D291 IonicContact CZ-OD2 3.68Å; R144-D291 IonicContact NE-OD1 2.84Å; R144-D291 PolarHBondContact NE-OD1 2.84Å; R144-D291 IonicContact NE-OD2 2.7Å; R144-D291 IonicContact NH2-OD1 3.67Å; R144-D291 PolarHBondContact NH2-OD1 2.84Å; R144-D291 IonicContact NH2-OD2 2.83Å; R144-D291 PolarHBondContact NH2-OD2 3.4Å; L148-D291 HydrophobicContact CD1-CB 4.4Å; L289-D291 PolarHBondContact O-N 3.4Å; D291-V293 HydrophobicContact CB-CG2 4.32Å; D291-V293 PolarHBondContact O-N 3.15Å
292	L	98.1	Very high	97.5	Very high	6 Å²	6	43.6 Å²	43.6	3%	0.031	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	60.7	15	-173.6	-53.4	173.5	0	0	0	114	W111 P113 V188 G189 V191 V263 F280 L289 A290 Y294	W111-L292 HydrophobicContact CH2-CD1 3.9Å; W111-L292 HydrophobicContact CH2-CG 3.74Å; W111-L292 HydrophobicContact CZ2-CD1 4.3Å; W111-L292 HydrophobicContact CZ2-CG 4.13Å; P113-L292 HydrophobicContact CB-CD1 4.25Å; P113-L292 HydrophobicContact CG-CD1 4.33Å; V188-L292 CarbonylContact C-O 3.59Å; V188-L292 WeakPolarHBondContact CA-O 3.42Å; V188-L292 HydrophobicContact CG1-CB 4.37Å; G189-L292 PolarHBondContact N-O 2.89Å; G189-L292 WeakPolarHBondContact O-CD1 3.05Å; V191-L292 HydrophobicContact CG2-CD1 3.67Å; V263-L292 HydrophobicContact CG1-CD1 4.47Å; V263-L292 HydrophobicContact CG1-CD2 4.11Å; V263-L292 HydrophobicContact CG2-CD2 4.1Å; F280-L292 HydrophobicContact CD1-CD2 3.78Å; F280-L292 HydrophobicContact CE1-CB 4.32Å; F280-L292 HydrophobicContact CE1-CD2 4.23Å; F280-L292 HydrophobicContact CG-CD2 4.5Å; L289-L292 PolarHBondContact O-N 3.29Å; A290-L292 PolarHBondContact O-N 3.41Å; A290-L292 VanDerWaalsContact O-N 3.08Å; L292-Y294 PolarHBondContact O-N 2.78Å
293	V	98.3	Very high	97.5	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.018	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	124	175.1	-179	0	0	0	0	109.3	M60 L63 L152 L186 V188 A290 D291 F295	M60-V293 HydrophobicContact CE-CG2 3.44Å; M60-V293 VanDerWaalsContact CE-CG2 3.44Å; L63-V293 HydrophobicContact CD2-CG1 3.94Å; L152-V293 HydrophobicContact CD1-CB 4.34Å; L152-V293 HydrophobicContact CD1-CG1 4.19Å; L152-V293 HydrophobicContact CD2-CG1 4.25Å; L186-V293 HydrophobicContact CD1-CG1 3.7Å; V188-V293 HydrophobicContact CG2-CG2 4.26Å; A290-V293 PolarHBondContact O-N 2.9Å; D291-V293 HydrophobicContact CB-CG2 4.32Å; D291-V293 PolarHBondContact O-N 3.15Å; V293-F295 HydrophobicContact CG1-CE2 4.37Å
294	Y	98.6	Very high	97.5	Very high	1 Å²	1	40.8 Å²	40.8	0%	0.004	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	159.1	-176.8	73.2	-92.1	0	0	0	111.9	G187 A265 E266 R267 F280 L292 W296 L301	G187-Y294 VanDerWaalsContact C-CD1 3.49Å; G187-Y294 PolarHBondContact N-O 3.13Å; G187-Y294 WeakPolarHBondContact O-CD1 3.31Å; G187-Y294 PolarHBondContact O-N 3.06Å; A265-Y294 HydrophobicContact CB-CD1 4.49Å; A265-Y294 HydrophobicContact CB-CE1 3.8Å; A265-Y294 HydrophobicContact CB-CE2 4.02Å; E266-Y294 PolarHBondContact N-OH 3.34Å; R267-Y294 HydrophobicContact CB-CE2 4.22Å; R267-Y294 HydrophobicContact CG-CE2 4.43Å; R267-Y294 PolarHBondContact N-OH 2.97Å; F280-Y294 HydrophobicContact CE1-CD1 4.17Å; F280-Y294 AromaticContact CZ-CD1 3.6Å; F280-Y294 HydrophobicContact CZ-CD1 3.6Å; F280-Y294 HydrophobicContact CZ-CE1 4.28Å; F280-Y294 AromaticContact CZ-CG 3.96Å; F280-Y294 HydrophobicContact CZ-CG 3.96Å; L292-Y294 PolarHBondContact O-N 2.78Å; Y294-W296 HydrophobicContact CD2-CB 4.07Å; Y294-W296 HydrophobicContact CE2-CB 3.84Å; Y294-L301 HydrophobicContact CD2-CD2 3.84Å; Y294-L301 HydrophobicContact CG-CD2 3.94Å
295	F	98.6	Very high	97.5	Very high	3 Å²	3	38.7 Å²	38.7	1%	0.013	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	114.6	171.6	-71.7	-114.3	0	0	0	107.2	L63 L152 F181 V185 L186 V293 L302 G304 Y307	L63-F295 HydrophobicContact CD1-CZ 4.34Å; L152-F295 HydrophobicContact CD2-CE2 3.92Å; L152-F295 HydrophobicContact CD2-CZ 4.47Å; F181-F295 HydrophobicContact CB-CE1 4.36Å; F181-F295 HydrophobicContact CD2-CD1 4.37Å; F181-F295 AromaticContact CD2-CE1 3.4Å; F181-F295 HydrophobicContact CD2-CE1 3.4Å; F181-F295 HydrophobicContact CD2-CZ 4.06Å; F181-F295 AromaticContact CE2-CE1 3.76Å; F181-F295 HydrophobicContact CE2-CE1 3.76Å; F181-F295 AromaticContact CE2-CZ 3.98Å; F181-F295 HydrophobicContact CE2-CZ 3.98Å; F181-F295 AromaticContact CG-CE1 3.94Å; F181-F295 HydrophobicContact CG-CE1 3.94Å; F181-F295 HydrophobicContact CZ-CE1 4.49Å; V185-F295 HydrophobicContact CG2-CB 4.48Å; V185-F295 HydrophobicContact CG2-CD1 3.69Å; V185-F295 HydrophobicContact CG2-CE1 4.47Å; V185-F295 WeakPolarHBondContact O-CA 3.46Å; L186-F295 HydrophobicContact CD1-CD2 4.27Å; L186-F295 HydrophobicContact CD1-CE1 4.45Å; L186-F295 HydrophobicContact CD1-CE2 3.68Å; L186-F295 HydrophobicContact CD1-CZ 3.8Å; V293-F295 HydrophobicContact CG1-CE2 4.37Å; F295-L302 HydrophobicContact CB-CB 4.25Å; F295-L302 PolarHBondContact N-O 2.94Å; F295-L302 WeakPolarHBondContact O-CB 3.48Å; F295-L302 PolarHBondContact O-N 3.49Å; F295-G304 VanDerWaalsContact CD2-CA 3.42Å; F295-Y307 HydrophobicContact CB-CD1 4.48Å; F295-Y307 HydrophobicContact CB-CD2 4.2Å; F295-Y307 HydrophobicContact CB-CG 3.81Å; F295-Y307 AromaticContact CD1-CD1 3.34Å; F295-Y307 HydrophobicContact CD1-CD1 3.34Å; F295-Y307 HydrophobicContact CD1-CD2 4.41Å; F295-Y307 HydrophobicContact CD1-CE1 4.03Å; F295-Y307 AromaticContact CD1-CG 3.57Å; F295-Y307 HydrophobicContact CD1-CG 3.57Å; F295-Y307 AromaticContact CE1-CD1 3.86Å; F295-Y307 HydrophobicContact CE1-CD1 3.86Å; F295-Y307 HydrophobicContact CE1-CE1 4.45Å; F295-Y307 HydrophobicContact CE1-CG 4.46Å; F295-Y307 HydrophobicContact CG-CD1 4.23Å; F295-Y307 HydrophobicContact CG-CG 4.02Å
296	W	98.2	Very high	97.6	Very high	50 Å²	50	38.5 Å²	38.5	19%	0.189	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	112.7	-179.6	-175.8	-108.5	0	0	0	110.2	V185 R267 A268 W275 Y294 Q299 L301	V185-W296 WeakPolarHBondContact CB-O 3.34Å; V185-W296 WeakPolarHBondContact CG1-O 3.48Å; V185-W296 PolarHBondContact O-N 3.27Å; R267-W296 HydrophobicContact CB-CB 3.77Å; R267-W296 HydrophobicContact CB-CG 3.85Å; R267-W296 PolarHBondContact O-NE1 2.89Å; A268-W296 HydrophobicContact CB-CD2 4.1Å; A268-W296 HydrophobicContact CB-CE3 4.08Å; A268-W296 HydrophobicContact CB-CH2 3.54Å; A268-W296 HydrophobicContact CB-CZ2 3.54Å; A268-W296 HydrophobicContact CB-CZ3 3.82Å; W275-W296 HydrophobicContact CH2-CZ3 4.31Å; W275-W296 HydrophobicContact CZ2-CH2 4.49Å; W275-W296 HydrophobicContact CZ2-CZ3 4.17Å; Y294-W296 HydrophobicContact CD2-CB 4.07Å; Y294-W296 HydrophobicContact CE2-CB 3.84Å; W296-Q299 VanDerWaalsContact CH2-C 3.46Å; W296-Q299 HydrophobicContact CH2-CB 4.45Å; W296-Q299 WeakPolarHBondContact CH2-O 3.35Å; W296-Q299 VanDerWaalsContact CZ2-CA 3.48Å; W296-Q299 HydrophobicContact CZ2-CB 4.13Å; W296-L301 HydrophobicContact CE3-CD2 3.96Å; W296-L301 HydrophobicContact CE3-CG 4.27Å; W296-L301 HydrophobicContact CZ3-CD2 4.21Å; W296-L301 HydrophobicContact CZ3-CG 4.1Å
297	S	97.7	Very high	97.6	Very high	24 Å²	24	37 Å²	37	17%	0.168	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	138.9	179.6	-175.1	0	0	0	0	109.6	Q299 K300	S297-Q299 PolarHBondContact O-N 3.04Å; S297-Q299 VanDerWaalsContact O-N 3.15Å; S297-K300 PolarHBondContact N-O 3.13Å; S297-K300 WeakPolarHBondContact O-CB 3.5Å; S297-K300 PolarHBondContact O-N 2.8Å
298	N	95.9	Very high	97.7	Very high	137 Å²	137	33 Å²	33	73%	0.733	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.6	40	179.2	-60.7	-36.6	0	0	0	113.6	K300	N298-K300 PolarHBondContact O-N 2.9Å
299	Q	95.4	Very high	97.7	Very high	170 Å²	170	34.3 Å²	34.3	79%	0.794	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.6	23.8	-176.4	-58	175.2	86.4	0	0	114.6	W296 S297	W296-Q299 VanDerWaalsContact CH2-C 3.46Å; W296-Q299 HydrophobicContact CH2-CB 4.45Å; W296-Q299 WeakPolarHBondContact CH2-O 3.35Å; W296-Q299 VanDerWaalsContact CZ2-CA 3.48Å; W296-Q299 HydrophobicContact CZ2-CB 4.13Å; S297-Q299 PolarHBondContact O-N 3.04Å; S297-Q299 VanDerWaalsContact O-N 3.15Å
300	K	96.9	Very high	97.6	Very high	96 Å²	96	37.4 Å²	37.4	42%	0.417	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	148.1	178.9	-67	177.2	175.3	-174.1	0	111.1	E284 S297 N298	E284-K300 IonicContact OE1-NZ 3.86Å; S297-K300 PolarHBondContact N-O 3.13Å; S297-K300 WeakPolarHBondContact O-CB 3.5Å; S297-K300 PolarHBondContact O-N 2.8Å; N298-K300 PolarHBondContact O-N 2.9Å
301	L	98.5	Very high	97.7	Very high	6 Å²	6	40.3 Å²	40.3	3%	0.031	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	116.9	167.3	-74.7	174.9	0	0	0	109	W275 F280 V281 C282 S283 L289 Y294 W296	W275-L301 HydrophobicContact CD2-CD1 4.07Å; W275-L301 HydrophobicContact CG-CD1 4.39Å; W275-L301 HydrophobicContact CZ2-CD1 3.88Å; W275-L301 HydrophobicContact CZ2-CG 4.17Å; F280-L301 HydrophobicContact CD2-CD1 3.54Å; F280-L301 HydrophobicContact CE2-CD1 3.55Å; F280-L301 HydrophobicContact CE2-CD2 3.73Å; F280-L301 HydrophobicContact CE2-CG 4.32Å; F280-L301 HydrophobicContact CG-CD1 4.21Å; F280-L301 HydrophobicContact CZ-CD1 4.22Å; F280-L301 HydrophobicContact CZ-CD2 3.81Å; V281-L301 WeakPolarHBondContact O-CB 3.33Å; C282-L301 CarbonylContact C-O 3.5Å; C282-L301 WeakPolarHBondContact CA-O 3.3Å; S283-L301 PolarHBondContact N-O 3.3Å; S283-L301 PolarHBondContact OG-O 2.67Å; L289-L301 HydrophobicContact CD1-CB 4Å; L289-L301 HydrophobicContact CD1-CD1 4.36Å; L289-L301 HydrophobicContact CD1-CD2 4.31Å; L289-L301 HydrophobicContact CD1-CG 4.47Å; Y294-L301 HydrophobicContact CD2-CD2 3.84Å; Y294-L301 HydrophobicContact CG-CD2 3.94Å; W296-L301 HydrophobicContact CE3-CD2 3.96Å; W296-L301 HydrophobicContact CE3-CG 4.27Å; W296-L301 HydrophobicContact CZ3-CD2 4.21Å; W296-L301 HydrophobicContact CZ3-CG 4.1Å
302	L	98.8	Very high	97.7	Very high	8 Å²	8	43.6 Å²	43.6	4%	0.042	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	149.5	175.6	-60	178.3	0	0	0	110.6	E284 F295 Y307	E284-L302 HydrophobicContact CG-CD2 3.57Å; F295-L302 HydrophobicContact CB-CB 4.25Å; F295-L302 PolarHBondContact N-O 2.94Å; F295-L302 WeakPolarHBondContact O-CB 3.48Å; F295-L302 PolarHBondContact O-N 3.49Å; L302-Y307 HydrophobicContact CD1-CD2 4.34Å
303	C	98.6	Very high	97.7	Very high	3 Å²	3	45 Å²	45	2%	0.02	23%	0.225	C	C	.	.			trans	-77.2	163	162	74.3	0	0	0	0	109.5	Q151 C282 L289 R305 H306 Y307	Q151-C303 HydrophobicContact CB-CB 3.82Å; Q151-C303 HydrophobicContact CG-CB 3.64Å; C282-C303 HydrophobicContact CB-CB 4.09Å; C282-C303 PolarHBondContact SG-N 2.66Å; L289-C303 HydrophobicContact CD2-CB 3.78Å; C303-R305 VanDerWaalsContact C-N 3.31Å; C303-R305 PolarHBondContact O-N 3.33Å; C303-H306 PolarHBondContact O-N 3.2Å; C303-H306 PolarHBondContact SG-ND1 3.06Å; C303-Y307 PolarHBondContact O-N 3.49Å
304	G	97.9	Very high	97.7	Very high	4 Å²	4	45.7 Å²	45.7	4%	0.041	23%	0.227	C	C	.	.	H	α-helix	trans	-56.4	-44.6	-178.4	0	0	0	0	0	112.8	Q151 F295 H306 Y307 C308	Q151-G304 CarbonylContact O-C 3.47Å; Q151-G304 WeakPolarHBondContact O-CA 3.32Å; Q151-G304 PolarHBondContact O-N 3.49Å; F295-G304 VanDerWaalsContact CD2-CA 3.42Å; G304-H306 PolarHBondContact O-N 2.88Å; G304-Y307 PolarHBondContact O-N 3.26Å; G304-C308 WeakPolarHBondContact O-CB 3.2Å; G304-C308 PolarHBondContact O-N 2.65Å; G304-C308 PolarHBondContact O-SG 2.96Å
305	R	97.8	Very high	97.6	Very high	67 Å²	67	45.7 Å²	45.7	25%	0.253	23%	0.227	S	C	.	.	H	α-helix	trans	-55.6	-51.9	178.1	-173.7	170.1	-170.4	-86.5	5.2	112.8	N150 Q151 C303 C308 E309 D319	N150-R305 VanDerWaalsContact O-CD 3.26Å; N150-R305 WeakPolarHBondContact O-CD 3.45Å; Q151-R305 PolarHBondContact O-N 3.48Å; C303-R305 VanDerWaalsContact C-N 3.31Å; C303-R305 PolarHBondContact O-N 3.33Å; R305-C308 PolarHBondContact O-N 2.95Å; R305-E309 WeakPolarHBondContact CG-OE1 3.26Å; R305-E309 IonicContact CZ-OE1 3.97Å; R305-E309 IonicContact NE-OE1 2.96Å; R305-E309 PolarHBondContact NE-OE1 3.48Å; R305-E309 IonicContact NH1-OE1 3.44Å; R305-E309 PolarHBondContact NH1-OE1 3.33Å; R305-E309 IonicContact NH1-OE2 2.71Å; R305-E309 IonicContact NH2-OE1 3.28Å; R305-E309 WeakPolarHBondContact O-CG 3.45Å; R305-E309 PolarHBondContact O-N 3.45Å; R305-D319 IonicContact CZ-OD1 2.7Å; R305-D319 IonicContact NE-OD1 3.59Å; R305-D319 IonicContact NH2-OD1 3.95Å; R305-D319 PolarHBondContact NH2-OD1 3.44Å
306	H	98.4	Very high	97.4	Very high	38 Å²	38	48.8 Å²	48.8	18%	0.176	25%	0.249	C	C	.	.	H	α-helix	trans	-73.8	-32.8	-178.6	-68.4	118	0	0	0	113.1	C282 E284 C285 C303 G304 E309 S310	C282-H306 PolarHBondContact SG-ND1 2.71Å; E284-H306 HydrophobicContact CB-CB 4.03Å; E284-H306 HydrophobicContact CG-CB 4.04Å; C285-H306 WeakPolarHBondContact CB-CE1 3.48Å; C285-H306 VanDerWaalsContact SG-CE1 3.55Å; C303-H306 PolarHBondContact O-N 3.2Å; C303-H306 PolarHBondContact SG-ND1 3.06Å; G304-H306 PolarHBondContact O-N 2.88Å; H306-E309 IonicContact CD2-OE2 3.25Å; H306-E309 PolarHBondContact CD2-OE2 3.11Å; H306-E309 VanDerWaalsContact CD2-OE2 3.28Å; H306-E309 IonicContact NE2-OE2 2.9Å; H306-E309 PolarHBondContact O-N 3.19Å; H306-S310 PolarHBondContact O-N 3.36Å
307	Y	98.4	Very high	97.2	Very high	21 Å²	21	46.7 Å²	46.7	8%	0.082	24%	0.242	C	C	.	.	H	α-helix	trans	-60.5	-49.2	170	170.3	-95.7	0	0	0	110.4	F177 F181 V185 F295 L302 C303 G304 E309 S310 V311	F177-Y307 AromaticContact CE2-CE1 3.99Å; F177-Y307 HydrophobicContact CE2-CE1 3.99Å; F177-Y307 HydrophobicContact CZ-CD1 4.49Å; F177-Y307 AromaticContact CZ-CE1 3.98Å; F177-Y307 HydrophobicContact CZ-CE1 3.98Å; F181-Y307 HydrophobicContact CB-CD1 4.36Å; F181-Y307 HydrophobicContact CB-CE1 3.47Å; F181-Y307 VanDerWaalsContact CB-CE1 3.47Å; F181-Y307 HydrophobicContact CD1-CE1 4.4Å; F181-Y307 HydrophobicContact CG-CE1 4.18Å; V185-Y307 HydrophobicContact CB-CE2 4.16Å; V185-Y307 HydrophobicContact CG1-CE2 3.95Å; V185-Y307 HydrophobicContact CG2-CD1 4.24Å; V185-Y307 HydrophobicContact CG2-CD2 4.21Å; V185-Y307 HydrophobicContact CG2-CE1 3.73Å; V185-Y307 HydrophobicContact CG2-CE2 3.69Å; V185-Y307 HydrophobicContact CG2-CG 4.45Å; V185-Y307 VanDerWaalsContact CG2-CZ 3.42Å; F295-Y307 HydrophobicContact CB-CD1 4.48Å; F295-Y307 HydrophobicContact CB-CD2 4.2Å; F295-Y307 HydrophobicContact CB-CG 3.81Å; F295-Y307 AromaticContact CD1-CD1 3.34Å; F295-Y307 HydrophobicContact CD1-CD1 3.34Å; F295-Y307 HydrophobicContact CD1-CD2 4.41Å; F295-Y307 HydrophobicContact CD1-CE1 4.03Å; F295-Y307 AromaticContact CD1-CG 3.57Å; F295-Y307 HydrophobicContact CD1-CG 3.57Å; F295-Y307 AromaticContact CE1-CD1 3.86Å; F295-Y307 HydrophobicContact CE1-CD1 3.86Å; F295-Y307 HydrophobicContact CE1-CE1 4.45Å; F295-Y307 HydrophobicContact CE1-CG 4.46Å; F295-Y307 HydrophobicContact CG-CD1 4.23Å; F295-Y307 HydrophobicContact CG-CG 4.02Å; L302-Y307 HydrophobicContact CD1-CD2 4.34Å; C303-Y307 PolarHBondContact O-N 3.49Å; G304-Y307 PolarHBondContact O-N 3.26Å; Y307-E309 VanDerWaalsContact C-N 3.33Å; Y307-E309 PolarHBondContact O-N 3.17Å; Y307-S310 WeakPolarHBondContact O-CB 3.24Å; Y307-S310 PolarHBondContact O-N 3.04Å; Y307-S310 PolarHBondContact O-OG 2.7Å; Y307-V311 HydrophobicContact CE1-CG2 4.19Å; Y307-V311 HydrophobicContact CE2-CG2 4.07Å; Y307-V311 PolarHBondContact O-N 2.93Å
308	C	98	Very high	97.1	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.02	24%	0.235	C	C	.	.	H	α-helix	trans	-58.9	-43.6	178.3	-70.1	0	0	0	0	112.1	F177 G304 R305 S310 V311 W312 L321	F177-C308 HydrophobicContact CE1-CB 4.42Å; F177-C308 HydrophobicContact CZ-CB 4.34Å; G304-C308 WeakPolarHBondContact O-CB 3.2Å; G304-C308 PolarHBondContact O-N 2.65Å; G304-C308 PolarHBondContact O-SG 2.96Å; R305-C308 PolarHBondContact O-N 2.95Å; C308-S310 VanDerWaalsContact C-N 3.25Å; C308-S310 PolarHBondContact O-N 3.23Å; C308-V311 PolarHBondContact O-N 3.35Å; C308-V311 VanDerWaalsContact O-N 3.1Å; C308-W312 PolarHBondContact O-N 2.9Å; C308-L321 HydrophobicContact CB-CD1 3.82Å; C308-L321 HydrophobicContact CB-CD2 4.01Å; C308-L321 HydrophobicContact CB-CG 4.49Å
309	E	97.1	Very high	97.1	Very high	59 Å²	59	40.9 Å²	40.9	28%	0.276	21%	0.21	S	C	.	.	H	α-helix	trans	-62.9	-28.5	175.3	-75.3	167.9	-167.9	0	0	113.5	R305 H306 Y307 V311 W312 R314	R305-E309 WeakPolarHBondContact CG-OE1 3.26Å; R305-E309 IonicContact CZ-OE1 3.97Å; R305-E309 IonicContact NE-OE1 2.96Å; R305-E309 PolarHBondContact NE-OE1 3.48Å; R305-E309 IonicContact NH1-OE1 3.44Å; R305-E309 PolarHBondContact NH1-OE1 3.33Å; R305-E309 IonicContact NH1-OE2 2.71Å; R305-E309 IonicContact NH2-OE1 3.28Å; R305-E309 WeakPolarHBondContact O-CG 3.45Å; R305-E309 PolarHBondContact O-N 3.45Å; H306-E309 IonicContact CD2-OE2 3.25Å; H306-E309 PolarHBondContact CD2-OE2 3.11Å; H306-E309 VanDerWaalsContact CD2-OE2 3.28Å; H306-E309 IonicContact NE2-OE2 2.9Å; H306-E309 PolarHBondContact O-N 3.19Å; Y307-E309 VanDerWaalsContact C-N 3.33Å; Y307-E309 PolarHBondContact O-N 3.17Å; E309-V311 VanDerWaalsContact C-N 3.26Å; E309-V311 PolarHBondContact O-N 3.31Å; E309-W312 WeakPolarHBondContact CA-O 3.27Å; E309-R314 HydrophobicContact CG-CB 3.93Å; E309-R314 VanDerWaalsContact OE1-CD 3.29Å; E309-R314 WeakPolarHBondContact OE1-CD 3.17Å; E309-R314 IonicContact OE1-CZ 2.77Å; E309-R314 IonicContact OE1-NE 3.39Å; E309-R314 PolarHBondContact OE1-NE 3.48Å; E309-R314 IonicContact OE1-NH2 3.8Å
310	S	96.6	Very high	97.1	Very high	73 Å²	73	32.9 Å²	32.9	51%	0.51	17%	0.172	S	C	.	.	H	α-helix	trans	-74.1	-16.9	175.6	77.5	0	0	0	0	113.7	H306 Y307 C308	H306-S310 PolarHBondContact O-N 3.36Å; Y307-S310 WeakPolarHBondContact O-CB 3.24Å; Y307-S310 PolarHBondContact O-N 3.04Å; Y307-S310 PolarHBondContact O-OG 2.7Å; C308-S310 VanDerWaalsContact C-N 3.25Å; C308-S310 PolarHBondContact O-N 3.23Å
311	V	96.9	Very high	97.2	Very high	70 Å²	70	28.5 Å²	28.5	42%	0.424	15%	0.153	S	C	.	.	H	α-helix	trans	-107.7	-40.3	-178.7	-175.3	0	0	0	0	111.6	F177 Y307 C308 E309	F177-V311 HydrophobicContact CD2-CG1 4.2Å; F177-V311 HydrophobicContact CE2-CB 3.91Å; F177-V311 HydrophobicContact CE2-CG1 3.7Å; F177-V311 HydrophobicContact CE2-CG2 4.2Å; F177-V311 HydrophobicContact CZ-CB 4.28Å; F177-V311 HydrophobicContact CZ-CG1 4.49Å; Y307-V311 HydrophobicContact CE1-CG2 4.19Å; Y307-V311 HydrophobicContact CE2-CG2 4.07Å; Y307-V311 PolarHBondContact O-N 2.93Å; C308-V311 PolarHBondContact O-N 3.35Å; C308-V311 VanDerWaalsContact O-N 3.1Å; E309-V311 VanDerWaalsContact C-N 3.26Å; E309-V311 PolarHBondContact O-N 3.31Å
312	W	97.7	Very high	97.2	Very high	73 Å²	73	28.3 Å²	28.3	28%	0.277	15%	0.152	S	C	.	.	S	Bend	trans	-127.9	135.4	-178.6	-71.5	99.8	0	0	0	110.8	F177 C308 E309 L321 F323	F177-W312 AromaticContact CD1-CD1 3.91Å; F177-W312 AromaticContact CD2-CD1 3.82Å; F177-W312 AromaticContact CD2-NE1 3.56Å; F177-W312 AromaticContact CE1-CD1 3.9Å; F177-W312 AromaticContact CE2-CD1 3.84Å; F177-W312 AromaticContact CG-CD1 3.87Å; F177-W312 AromaticContact CG-NE1 3.57Å; F177-W312 AromaticContact CZ-CD1 3.87Å; C308-W312 PolarHBondContact O-N 2.9Å; E309-W312 WeakPolarHBondContact CA-O 3.27Å; W312-L321 HydrophobicContact CB-CB 4.32Å; W312-L321 HydrophobicContact CB-CD2 4.2Å; W312-F323 AromaticContact CD2-CD1 3.96Å; W312-F323 HydrophobicContact CD2-CD1 3.96Å; W312-F323 AromaticContact CD2-CE1 3.8Å; W312-F323 HydrophobicContact CD2-CE1 3.8Å; W312-F323 HydrophobicContact CD2-CZ 4.37Å; W312-F323 AromaticContact CE2-CD1 3.81Å; W312-F323 AromaticContact CE2-CE1 3.46Å; W312-F323 VanDerWaalsContact CE2-CE1 3.46Å; W312-F323 HydrophobicContact CE3-CD1 4.06Å; W312-F323 HydrophobicContact CE3-CE1 4.37Å; W312-F323 HydrophobicContact CG-CE1 4.16Å; W312-F323 HydrophobicContact CG-CZ 4.29Å; W312-F323 AromaticContact CH2-CD1 3.91Å; W312-F323 HydrophobicContact CH2-CD1 3.91Å; W312-F323 HydrophobicContact CH2-CE1 4.37Å; W312-F323 AromaticContact CZ2-CD1 3.8Å; W312-F323 HydrophobicContact CZ2-CD1 3.8Å; W312-F323 AromaticContact CZ2-CE1 3.79Å; W312-F323 HydrophobicContact CZ2-CE1 3.79Å; W312-F323 HydrophobicContact CZ3-CD1 4.04Å; W312-F323 AromaticContact NE1-CE1 3.6Å
313	P	97.4	Very high	97.1	Very high	37 Å²	37	28.7 Å²	28.7	24%	0.24	15%	0.154	C	C	.	.			trans	-62.5	143.6	176.6	20.4	-24.1	0	0	0	110.5	I322 F327 T335	P313-I322 HydrophobicContact CB-CD1 4.38Å; P313-I322 HydrophobicContact CG-CB 4.17Å; P313-I322 WeakPolarHBondContact O-CB 3.41Å; P313-I322 WeakPolarHBondContact O-CG1 3.37Å; P313-I322 PolarHBondContact O-N 3.49Å; P313-F327 HydrophobicContact CB-CE2 4.32Å; P313-F327 HydrophobicContact CG-CE1 4.39Å; P313-F327 HydrophobicContact CG-CE2 4.07Å; P313-F327 HydrophobicContact CG-CZ 3.9Å; P313-T335 HydrophobicContact CB-CG2 3.9Å
314	R	97.8	Very high	97	Very high	17 Å²	17	29.7 Å²	29.7	6%	0.064	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-107.5	133.7	178.2	-174	179.3	-60.6	-83.4	-4.1	110.5	D156 E309 C316 D319 L321 T335	D156-R314 IonicContact OD1-CZ 2.75Å; D156-R314 IonicContact OD1-NH1 3.47Å; D156-R314 PolarHBondContact OD1-NH1 3.31Å; D156-R314 IonicContact OD1-NH2 3.86Å; D156-R314 PolarHBondContact OD1-NH2 3.16Å; D156-R314 IonicContact OD2-CZ 3.02Å; D156-R314 IonicContact OD2-NH1 3.43Å; D156-R314 PolarHBondContact OD2-NH1 2.9Å; D156-R314 IonicContact OD2-NH2 3.56Å; D156-R314 PolarHBondContact OD2-NH2 3.45Å; E309-R314 HydrophobicContact CG-CB 3.93Å; E309-R314 VanDerWaalsContact OE1-CD 3.29Å; E309-R314 WeakPolarHBondContact OE1-CD 3.17Å; E309-R314 IonicContact OE1-CZ 2.77Å; E309-R314 IonicContact OE1-NE 3.39Å; E309-R314 PolarHBondContact OE1-NE 3.48Å; E309-R314 IonicContact OE1-NH2 3.8Å; R314-C316 PolarHBondContact O-N 3.16Å; R314-D319 WeakPolarHBondContact CD-O 3.35Å; R314-D319 VanDerWaalsContact CD-OD1 3.3Å; R314-D319 WeakPolarHBondContact CD-OD1 3.5Å; R314-D319 WeakPolarHBondContact CG-O 3.35Å; R314-D319 PolarHBondContact NH1-O 3.22Å; R314-L321 HydrophobicContact CB-CD2 4.3Å; R314-T335 PolarHBondContact N-OG1 3.19Å; R314-T335 PolarHBondContact O-OG1 3.28Å
315	C	97.3	Very high	96.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-71.8	117.2	177.3	178	0	0	0	0	111.2	G317 C318 D319 E320 I322 T335 H337 H340	C315-G317 PolarHBondContact O-N 3.18Å; C315-G317 VanDerWaalsContact O-N 3.1Å; C315-G317 PolarHBondContact SG-N 3.34Å; C315-G317 VanDerWaalsContact SG-N 3.38Å; C315-C318 VanDerWaalsContact CB-SG 3.54Å; C315-C318 PolarHBondContact SG-N 3.21Å; C315-C318 VanDerWaalsContact SG-SG 3.6Å; C315-D319 WeakPolarHBondContact O-CA 3.35Å; C315-D319 PolarHBondContact O-N 3.02Å; C315-E320 PolarHBondContact N-O 2.88Å; C315-I322 HydrophobicContact CB-CD1 3.98Å; C315-I322 HydrophobicContact CB-CG1 3.91Å; C315-T335 CarbonylContact C-O 3.49Å; C315-T335 VanDerWaalsContact CA-O 3.28Å; C315-T335 WeakPolarHBondContact CA-O 3.34Å; C315-H337 WeakPolarHBondContact CB-ND1 3.49Å; C315-H337 PolarHBondContact SG-N 2.91Å; C315-H337 VanDerWaalsContact SG-N 3.42Å; C315-H337 PolarHBondContact SG-ND1 3Å; C315-H340 VanDerWaalsContact SG-CB 3.58Å
316	C	94.8	Very high	96.6	Very high	69 Å²	69	40 Å²	40	47%	0.466	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-13.5	175.6	-61.3	0	0	0	0	113.4	R314 T335 W336	R314-C316 PolarHBondContact O-N 3.16Å; C316-T335 PolarHBondContact N-O 2.89Å; C316-W336 HydrophobicContact CB-CD2 4.38Å; C316-W336 HydrophobicContact CB-CZ2 4.03Å
317	G	94	Very high	96.5	Very high	5 Å²	5	41.6 Å²	41.6	5%	0.052	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-56.1	176.8	0	0	0	0	0	113.3	R34 C315	R34-G317 WeakPolarHBondContact CG-O 3.28Å; R34-G317 PolarHBondContact NH1-O 3.25Å; C315-G317 PolarHBondContact O-N 3.18Å; C315-G317 VanDerWaalsContact O-N 3.1Å; C315-G317 PolarHBondContact SG-N 3.34Å; C315-G317 VanDerWaalsContact SG-N 3.38Å
318	C	94.6	Very high	96.4	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.014	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-5.1	-174.9	70.4	0	0	0	0	114.6	W33 K35 C315 E320 H337 H340	W33-C318 HydrophobicContact CE3-CB 3.82Å; W33-C318 HydrophobicContact CZ3-CB 4.21Å; K35-C318 VanDerWaalsContact CG-O 3.3Å; K35-C318 WeakPolarHBondContact CG-O 3.41Å; C315-C318 VanDerWaalsContact CB-SG 3.54Å; C315-C318 PolarHBondContact SG-N 3.21Å; C315-C318 VanDerWaalsContact SG-SG 3.6Å; C318-E320 PolarHBondContact O-N 3.47Å; C318-H337 PolarHBondContact SG-ND1 3.13Å; C318-H337 VanDerWaalsContact SG-ND1 3.4Å; C318-H340 VanDerWaalsContact CB-CE1 3.49Å; C318-H340 WeakPolarHBondContact CB-CE1 3.41Å; C318-H340 WeakPolarHBondContact CB-ND1 3.19Å; C318-H340 VanDerWaalsContact SG-CE1 3.51Å; C318-H340 PolarHBondContact SG-ND1 3.1Å
319	D	95.6	Very high	96.4	Very high	38 Å²	38	46.5 Å²	46.5	20%	0.203	25%	0.253	C	S	.	.			trans	64.3	4.3	-175.6	-160.6	58.6	0	0	0	115.4	K35 Y155 R305 R314 C315	K35-D319 HydrophobicContact CB-CB 4.41Å; K35-D319 HydrophobicContact CG-CB 4.41Å; Y155-D319 WeakPolarHBondContact CE2-O 3.48Å; Y155-D319 PolarHBondContact OH-OD2 3.29Å; R305-D319 IonicContact CZ-OD1 2.7Å; R305-D319 IonicContact NE-OD1 3.59Å; R305-D319 IonicContact NH2-OD1 3.95Å; R305-D319 PolarHBondContact NH2-OD1 3.44Å; R314-D319 WeakPolarHBondContact CD-O 3.35Å; R314-D319 VanDerWaalsContact CD-OD1 3.3Å; R314-D319 WeakPolarHBondContact CD-OD1 3.5Å; R314-D319 WeakPolarHBondContact CG-O 3.35Å; R314-D319 PolarHBondContact NH1-O 3.22Å; C315-D319 WeakPolarHBondContact O-CA 3.35Å; C315-D319 PolarHBondContact O-N 3.02Å
320	E	97	Very high	96.2	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	25%	0.248	C	C	.	.			trans	-86	151	176.4	-60.1	-179.3	179.9	0	0	111.7	K35 Y155 Q163 S164 C315 C318	K35-E320 WeakPolarHBondContact CE-OE1 3.27Å; K35-E320 IonicContact NZ-OE1 2.82Å; K35-E320 PolarHBondContact NZ-OE1 3.05Å; Y155-E320 HydrophobicContact CD2-CG 4.14Å; Y155-E320 HydrophobicContact CG-CG 4.46Å; Q163-E320 PolarHBondContact N-OE1 2.89Å; Q163-E320 PolarHBondContact N-OE2 2.91Å; S164-E320 WeakPolarHBondContact CB-OE2 3.42Å; S164-E320 PolarHBondContact N-OE2 3.17Å; S164-E320 PolarHBondContact OG-OE2 3.4Å; C315-E320 PolarHBondContact N-O 2.88Å; C318-E320 PolarHBondContact O-N 3.47Å
321	L	98.1	Very high	95.9	Very high	5 Å²	5	51.1 Å²	51.1	3%	0.026	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-64.9	141.8	170.3	-61.5	174.9	0	0	0	110.3	D156 F177 C308 W312 R314 F323	D156-L321 HydrophobicContact CB-CD1 4.45Å; F177-L321 HydrophobicContact CE1-CD1 4.05Å; C308-L321 HydrophobicContact CB-CD1 3.82Å; C308-L321 HydrophobicContact CB-CD2 4.01Å; C308-L321 HydrophobicContact CB-CG 4.49Å; W312-L321 HydrophobicContact CB-CB 4.32Å; W312-L321 HydrophobicContact CB-CD2 4.2Å; R314-L321 HydrophobicContact CB-CD2 4.3Å; L321-F323 HydrophobicContact CB-CD2 4.25Å; L321-F323 HydrophobicContact CB-CE2 3.72Å; L321-F323 HydrophobicContact CB-CZ 4.49Å; L321-F323 HydrophobicContact CD1-CE2 4.27Å; L321-F323 HydrophobicContact CD1-CZ 4.4Å
322	I	98.1	Very high	95.7	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	27%	0.274	C	S	.	.			trans	-98.3	103	-176.3	-54.6	174.5	0	0	0	108.7	P313 C315 F327	P313-I322 HydrophobicContact CB-CD1 4.38Å; P313-I322 HydrophobicContact CG-CB 4.17Å; P313-I322 WeakPolarHBondContact O-CB 3.41Å; P313-I322 WeakPolarHBondContact O-CG1 3.37Å; P313-I322 PolarHBondContact O-N 3.49Å; C315-I322 HydrophobicContact CB-CD1 3.98Å; C315-I322 HydrophobicContact CB-CG1 3.91Å; I322-F327 HydrophobicContact CD1-CB 4.23Å; I322-F327 HydrophobicContact CD1-CD2 4.25Å; I322-F327 HydrophobicContact CD1-CG 4.37Å; I322-F327 HydrophobicContact CG2-CB 3.72Å; I322-F327 HydrophobicContact CG2-CD1 3.94Å; I322-F327 HydrophobicContact CG2-CG 3.87Å
323	F	97.5	Very high	95.5	Very high	17 Å²	17	51.1 Å²	51.1	8%	0.075	29%	0.285	C	S	.	.			trans	-92.2	-16.5	175.3	-73.9	-89.2	0	0	0	113.3	L165 E170 A173 M174 F177 W312 L321	L165-F323 HydrophobicContact CD2-CB 4.11Å; L165-F323 HydrophobicContact CD2-CD2 3.77Å; L165-F323 HydrophobicContact CD2-CG 4.23Å; E170-F323 HydrophobicContact CB-CB 4.07Å; E170-F323 HydrophobicContact CG-CB 4.09Å; A173-F323 HydrophobicContact CB-CD1 3.87Å; A173-F323 HydrophobicContact CB-CE1 4.42Å; M174-F323 HydrophobicContact CB-CD1 4.34Å; M174-F323 HydrophobicContact CB-CD2 4.25Å; M174-F323 HydrophobicContact CB-CE1 3.9Å; M174-F323 HydrophobicContact CB-CE2 3.78Å; M174-F323 HydrophobicContact CB-CZ 3.6Å; M174-F323 HydrophobicContact CG-CE1 4.46Å; M174-F323 HydrophobicContact CG-CE2 3.77Å; M174-F323 HydrophobicContact CG-CZ 3.7Å; M174-F323 HydrophobicContact SD-CE2 4.2Å; F177-F323 HydrophobicContact CB-CE1 4.25Å; F177-F323 HydrophobicContact CD1-CE1 4.44Å; F177-F323 AromaticContact CD1-CZ 3.97Å; F177-F323 HydrophobicContact CD1-CZ 3.97Å; W312-F323 AromaticContact CD2-CD1 3.96Å; W312-F323 HydrophobicContact CD2-CD1 3.96Å; W312-F323 AromaticContact CD2-CE1 3.8Å; W312-F323 HydrophobicContact CD2-CE1 3.8Å; W312-F323 HydrophobicContact CD2-CZ 4.37Å; W312-F323 AromaticContact CE2-CD1 3.81Å; W312-F323 AromaticContact CE2-CE1 3.46Å; W312-F323 VanDerWaalsContact CE2-CE1 3.46Å; W312-F323 HydrophobicContact CE3-CD1 4.06Å; W312-F323 HydrophobicContact CE3-CE1 4.37Å; W312-F323 HydrophobicContact CG-CE1 4.16Å; W312-F323 HydrophobicContact CG-CZ 4.29Å; W312-F323 AromaticContact CH2-CD1 3.91Å; W312-F323 HydrophobicContact CH2-CD1 3.91Å; W312-F323 HydrophobicContact CH2-CE1 4.37Å; W312-F323 AromaticContact CZ2-CD1 3.8Å; W312-F323 HydrophobicContact CZ2-CD1 3.8Å; W312-F323 AromaticContact CZ2-CE1 3.79Å; W312-F323 HydrophobicContact CZ2-CE1 3.79Å; W312-F323 HydrophobicContact CZ3-CD1 4.04Å; W312-F323 AromaticContact NE1-CE1 3.6Å; L321-F323 HydrophobicContact CB-CD2 4.25Å; L321-F323 HydrophobicContact CB-CE2 3.72Å; L321-F323 HydrophobicContact CB-CZ 4.49Å; L321-F323 HydrophobicContact CD1-CE2 4.27Å; L321-F323 HydrophobicContact CD1-CZ 4.4Å
324	C	95.5	Very high	95.4	Very high	24 Å²	24	55.7 Å²	55.7	16%	0.162	30%	0.297	C	S	.	.	S	Bend	trans	-73.7	152.8	179.4	71.5	0	0	0	0	111.3	E170 S326	E170-C324 HydrophobicContact CG-CB 4.49Å; E170-C324 WeakPolarHBondContact OE1-CA 3.41Å; E170-C324 WeakPolarHBondContact OE1-CB 3.42Å; C324-S326 PolarHBondContact SG-O 3.35Å; C324-S326 VanDerWaalsContact SG-O 3.34Å
325	K	92.2	Very high	95.4	Very high	204 Å²	204	55.7 Å²	55.7	89%	0.887	30%	0.299	S	S	*	.	S	Bend	trans	-74.9	-25.8	-179.5	-64.9	-179.3	-178.3	173.9	0	113.4
326	S	94.8	Very high	95.4	Very high	82 Å²	82	56.2 Å²	56.2	57%	0.573	30%	0.301	S	S	*	.			trans	-105.6	104.7	-174	-59.2	0	0	0	0	110.4	C324	C324-S326 PolarHBondContact SG-O 3.35Å; C324-S326 VanDerWaalsContact SG-O 3.34Å
327	F	96.9	Very high	95.5	Very high	73 Å²	73	53.6 Å²	53.6	32%	0.32	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	167.1	178.5	66.8	-87.2	0	0	0	110.8	P313 I322 T329 T335 W336	P313-F327 HydrophobicContact CB-CE2 4.32Å; P313-F327 HydrophobicContact CG-CE1 4.39Å; P313-F327 HydrophobicContact CG-CE2 4.07Å; P313-F327 HydrophobicContact CG-CZ 3.9Å; I322-F327 HydrophobicContact CD1-CB 4.23Å; I322-F327 HydrophobicContact CD1-CD2 4.25Å; I322-F327 HydrophobicContact CD1-CG 4.37Å; I322-F327 HydrophobicContact CG2-CB 3.72Å; I322-F327 HydrophobicContact CG2-CD1 3.94Å; I322-F327 HydrophobicContact CG2-CG 3.87Å; F327-T329 VanDerWaalsContact CE2-OG1 3.28Å; F327-T329 WeakPolarHBondContact CE2-OG1 3.37Å; F327-T335 HydrophobicContact CD2-CG2 4.21Å; F327-T335 HydrophobicContact CE2-CG2 3.89Å; F327-W336 WeakPolarHBondContact CB-O 3.49Å
328	I	97.1	Very high	95.5	Very high	43 Å²	43	58.2 Å²	58.2	22%	0.221	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	132.2	180	-68	162.1	0	0	0	108.8	T335 W336 L338 Y341	I328-T335 CarbonylContact O-C 3.45Å; I328-T335 VanDerWaalsContact O-CA 3.23Å; I328-T335 WeakPolarHBondContact O-CA 3.41Å; I328-W336 HydrophobicContact CG2-CE3 4.38Å; I328-W336 PolarHBondContact N-O 3.09Å; I328-W336 PolarHBondContact O-N 2.89Å; I328-L338 HydrophobicContact CD1-CD2 4.04Å; I328-L338 HydrophobicContact CG1-CD2 3.75Å; I328-Y341 HydrophobicContact CB-CD2 4.4Å; I328-Y341 VanDerWaalsContact CD1-CB 3.47Å; I328-Y341 HydrophobicContact CD1-CD1 3.77Å; I328-Y341 HydrophobicContact CD1-CD2 4.29Å; I328-Y341 HydrophobicContact CD1-CG 3.59Å; I328-Y341 HydrophobicContact CG2-CD2 3.83Å; I328-Y341 HydrophobicContact CG2-CE1 4.49Å; I328-Y341 HydrophobicContact CG2-CE2 3.83Å; I328-Y341 HydrophobicContact CG2-CG 4.2Å
329	T	96.8	Very high	95.4	Very high	83 Å²	83	66.4 Å²	66.4	51%	0.509	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	119.5	166.5	-53.2	0	0	0	0	107.6	F327 R334 T335	F327-T329 VanDerWaalsContact CE2-OG1 3.28Å; F327-T329 WeakPolarHBondContact CE2-OG1 3.37Å; T329-R334 CarbonylContact C-O 3.47Å; T329-R334 WeakPolarHBondContact CA-O 3.12Å; T329-T335 HydrophobicContact CG2-CG2 4.05Å
330	A	93.1	Very high	95.4	Very high	21 Å²	21	65.4 Å²	65.4	17%	0.174	34%	0.337	C	S	.	.			trans	-78.5	168	174.9	0	0	0	0	0	111.2	D332 G333 R334 W336	A330-D332 PolarHBondContact O-N 2.86Å; A330-D332 VanDerWaalsContact O-N 3.17Å; A330-G333 PolarHBondContact O-N 3.46Å; A330-R334 PolarHBondContact N-O 2.98Å; A330-W336 HydrophobicContact CB-CH2 3.87Å; A330-W336 HydrophobicContact CB-CZ3 3.45Å; A330-W336 VanDerWaalsContact CB-CZ3 3.45Å
331	E	91.5	Very high	95.3	Very high	208 Å²	208	67.3 Å²	67.3	97%	0.972	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-28	179.7	-62.3	-178.4	172	0	0	113.4	G333	E331-G333 PolarHBondContact O-N 3.41Å
332	D	92	Very high	95.1	Very high	94 Å²	94	67.9 Å²	67.9	50%	0.503	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	6.8	177	64.7	11.6	0	0	0	114	A330 R334	A330-D332 PolarHBondContact O-N 2.86Å; A330-D332 VanDerWaalsContact O-N 3.17Å; D332-R334 VanDerWaalsContact C-N 3.27Å; D332-R334 VanDerWaalsContact CG-NE 3.34Å; D332-R334 PolarHBondContact O-N 3.45Å; D332-R334 VanDerWaalsContact OD1-CB 3.27Å; D332-R334 WeakPolarHBondContact OD1-CB 3.39Å; D332-R334 WeakPolarHBondContact OD1-CG 3.05Å; D332-R334 PolarHBondContact OD1-N 2.95Å; D332-R334 IonicContact OD1-NE 3.07Å; D332-R334 PolarHBondContact OD1-NE 3.28Å; D332-R334 IonicContact OD2-CZ 2.83Å; D332-R334 IonicContact OD2-NE 3.57Å; D332-R334 PolarHBondContact OD2-NE 3.27Å; D332-R334 IonicContact OD2-NH2 3.5Å; D332-R334 PolarHBondContact OD2-NH2 2.88Å
333	G	93.6	Very high	94.7	Very high	50 Å²	50	68.4 Å²	68.4	52%	0.515	35%	0.353	S	S	.	.	S	Bend	trans	81	-2.2	178.2	0	0	0	0	0	114.8	A330 E331	A330-G333 PolarHBondContact O-N 3.46Å; E331-G333 PolarHBondContact O-N 3.41Å
334	R	95.3	Very high	94	Very high	132 Å²	132	71.6 Å²	71.6	50%	0.498	36%	0.364	S	S	.	.			trans	-67	149.5	172.6	-71.3	-174.5	-70	176.3	-3.7	110.7	T329 A330 D332 W336	T329-R334 CarbonylContact C-O 3.47Å; T329-R334 WeakPolarHBondContact CA-O 3.12Å; A330-R334 PolarHBondContact N-O 2.98Å; D332-R334 VanDerWaalsContact C-N 3.27Å; D332-R334 VanDerWaalsContact CG-NE 3.34Å; D332-R334 PolarHBondContact O-N 3.45Å; D332-R334 VanDerWaalsContact OD1-CB 3.27Å; D332-R334 WeakPolarHBondContact OD1-CB 3.39Å; D332-R334 WeakPolarHBondContact OD1-CG 3.05Å; D332-R334 PolarHBondContact OD1-N 2.95Å; D332-R334 IonicContact OD1-NE 3.07Å; D332-R334 PolarHBondContact OD1-NE 3.28Å; D332-R334 IonicContact OD2-CZ 2.83Å; D332-R334 IonicContact OD2-NE 3.57Å; D332-R334 PolarHBondContact OD2-NE 3.27Å; D332-R334 IonicContact OD2-NH2 3.5Å; D332-R334 PolarHBondContact OD2-NH2 2.88Å; R334-W336 HydrophobicContact CB-CE3 4.33Å; R334-W336 HydrophobicContact CB-CH2 3.16Å; R334-W336 HydrophobicContact CB-CZ2 3.89Å; R334-W336 HydrophobicContact CB-CZ3 3.41Å; R334-W336 VanDerWaalsContact CB-CZ3 3.41Å; R334-W336 HydrophobicContact CG-CH2 4.2Å; R334-W336 WeakPolarHBondContact O-CZ3 3.39Å
335	T	97.8	Very high	93.4	Very high	17 Å²	17	77.7 Å²	77.7	10%	0.104	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	147.1	-175.4	49.5	0	0	0	0	112.9	P313 R314 C315 C316 F327 I328 T329	P313-T335 HydrophobicContact CB-CG2 3.9Å; R314-T335 PolarHBondContact N-OG1 3.19Å; R314-T335 PolarHBondContact O-OG1 3.28Å; C315-T335 CarbonylContact C-O 3.49Å; C315-T335 VanDerWaalsContact CA-O 3.28Å; C315-T335 WeakPolarHBondContact CA-O 3.34Å; C316-T335 PolarHBondContact N-O 2.89Å; F327-T335 HydrophobicContact CD2-CG2 4.21Å; F327-T335 HydrophobicContact CE2-CG2 3.89Å; I328-T335 CarbonylContact O-C 3.45Å; I328-T335 VanDerWaalsContact O-CA 3.23Å; I328-T335 WeakPolarHBondContact O-CA 3.41Å; T329-T335 HydrophobicContact CG2-CG2 4.05Å
336	W	97.5	Very high	93.2	Very high	11 Å²	11	70.4 Å²	70.4	4%	0.042	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	142.9	177.3	-62.5	-106.3	0	0	0	111.7	C316 F327 I328 A330 R334 H340 Y341 L350	C316-W336 HydrophobicContact CB-CD2 4.38Å; C316-W336 HydrophobicContact CB-CZ2 4.03Å; F327-W336 WeakPolarHBondContact CB-O 3.49Å; I328-W336 HydrophobicContact CG2-CE3 4.38Å; I328-W336 PolarHBondContact N-O 3.09Å; I328-W336 PolarHBondContact O-N 2.89Å; A330-W336 HydrophobicContact CB-CH2 3.87Å; A330-W336 HydrophobicContact CB-CZ3 3.45Å; A330-W336 VanDerWaalsContact CB-CZ3 3.45Å; R334-W336 HydrophobicContact CB-CE3 4.33Å; R334-W336 HydrophobicContact CB-CH2 3.16Å; R334-W336 HydrophobicContact CB-CZ2 3.89Å; R334-W336 HydrophobicContact CB-CZ3 3.41Å; R334-W336 VanDerWaalsContact CB-CZ3 3.41Å; R334-W336 HydrophobicContact CG-CH2 4.2Å; R334-W336 WeakPolarHBondContact O-CZ3 3.39Å; W336-H340 VanDerWaalsContact CD1-O 3.31Å; W336-Y341 HydrophobicContact CB-CD2 4.11Å; W336-Y341 AromaticContact CD2-CD2 3.57Å; W336-Y341 HydrophobicContact CD2-CD2 3.57Å; W336-Y341 AromaticContact CD2-CE2 4Å; W336-Y341 HydrophobicContact CD2-CE2 4Å; W336-Y341 AromaticContact CE3-CD2 3.69Å; W336-Y341 HydrophobicContact CE3-CD2 3.69Å; W336-Y341 AromaticContact CE3-CE2 3.75Å; W336-Y341 HydrophobicContact CE3-CE2 3.75Å; W336-Y341 AromaticContact CG-CD2 3.77Å; W336-Y341 HydrophobicContact CG-CD2 3.77Å; W336-Y341 HydrophobicContact CH2-CE2 4.15Å; W336-Y341 HydrophobicContact CZ2-CE2 4.39Å; W336-Y341 HydrophobicContact CZ3-CD2 4.26Å; W336-Y341 AromaticContact CZ3-CE2 3.85Å; W336-Y341 HydrophobicContact CZ3-CE2 3.85Å; W336-L350 HydrophobicContact CZ2-CD1 4.36Å
337	H	96.7	Very high	92.9	Very high	14 Å²	14	68.8 Å²	68.8	7%	0.065	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	146.9	155.8	-62.7	105.8	0	0	0	109.5	S164 C315 C318 Q339 H340 Y341	S164-H337 WeakPolarHBondContact CB-CE1 3.41Å; S164-H337 WeakPolarHBondContact CB-NE2 3.3Å; S164-H337 PolarHBondContact OG-CE1 3.09Å; S164-H337 PolarHBondContact OG-NE2 3.31Å; C315-H337 WeakPolarHBondContact CB-ND1 3.49Å; C315-H337 PolarHBondContact SG-N 2.91Å; C315-H337 VanDerWaalsContact SG-N 3.42Å; C315-H337 PolarHBondContact SG-ND1 3Å; C318-H337 PolarHBondContact SG-ND1 3.13Å; C318-H337 VanDerWaalsContact SG-ND1 3.4Å; H337-Q339 PolarHBondContact O-N 3.19Å; H337-Q339 VanDerWaalsContact O-N 3.16Å; H337-H340 HydrophobicContact CB-CB 4.26Å; H337-H340 AromaticContact CG-ND1 3.82Å; H337-H340 AromaticContact ND1-CE1 3.95Å; H337-H340 AromaticContact ND1-ND1 3.45Å; H337-H340 PolarHBondContact ND1-ND1 3.08Å; H337-H340 PolarHBondContact O-N 2.81Å; H337-Y341 PolarHBondContact O-N 3.15Å
338	L	94.6	Very high	92.5	Very high	103 Å²	103	70.7 Å²	70.7	54%	0.539	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-51.4	-43.8	-176.7	-58.6	-175.8	0	0	0	112.8	I328 H340	I328-L338 HydrophobicContact CD1-CD2 4.04Å; I328-L338 HydrophobicContact CG1-CD2 3.75Å; L338-H340 PolarHBondContact O-N 3.22Å
339	Q	92.7	Very high	92.2	Very high	173 Å²	173	71 Å²	71	81%	0.808	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-74.7	-11.2	-177.9	-61.4	178.7	7.1	0	0	113.8	H337	H337-Q339 PolarHBondContact O-N 3.19Å; H337-Q339 VanDerWaalsContact O-N 3.16Å
340	H	95.3	Very high	91.9	Very high	17 Å²	17	69.8 Å²	69.8	8%	0.079	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-106.9	1.3	-175.3	-60.2	160.3	0	0	0	112.8	W33 C315 C318 W336 H337 L338 C342	W33-H340 AromaticContact CD2-CD2 3.73Å; W33-H340 AromaticContact CD2-NE2 3.8Å; W33-H340 AromaticContact CE3-CD2 3.36Å; W33-H340 AromaticContact CE3-CG 3.79Å; W33-H340 AromaticContact CE3-NE2 3.53Å; W33-H340 HydrophobicContact CH2-CB 3.92Å; W33-H340 AromaticContact CH2-CD2 3.72Å; W33-H340 AromaticContact CH2-CG 3.98Å; W33-H340 HydrophobicContact CZ3-CB 3.68Å; W33-H340 AromaticContact CZ3-CD2 3.33Å; W33-H340 WeakPolarHBondContact CZ3-CD2 3.45Å; W33-H340 AromaticContact CZ3-CG 3.43Å; W33-H340 VanDerWaalsContact CZ3-CG 3.43Å; W33-H340 AromaticContact CZ3-NE2 3.99Å; C315-H340 VanDerWaalsContact SG-CB 3.58Å; C318-H340 VanDerWaalsContact CB-CE1 3.49Å; C318-H340 WeakPolarHBondContact CB-CE1 3.41Å; C318-H340 WeakPolarHBondContact CB-ND1 3.19Å; C318-H340 VanDerWaalsContact SG-CE1 3.51Å; C318-H340 PolarHBondContact SG-ND1 3.1Å; W336-H340 VanDerWaalsContact CD1-O 3.31Å; H337-H340 HydrophobicContact CB-CB 4.26Å; H337-H340 AromaticContact CG-ND1 3.82Å; H337-H340 AromaticContact ND1-CE1 3.95Å; H337-H340 AromaticContact ND1-ND1 3.45Å; H337-H340 PolarHBondContact ND1-ND1 3.08Å; H337-H340 PolarHBondContact O-N 2.81Å; L338-H340 PolarHBondContact O-N 3.22Å; H340-C342 PolarHBondContact O-N 3.47Å
341	Y	94.8	Very high	91.6	Very high	41 Å²	41	74.7 Å²	74.7	16%	0.161	39%	0.388	C	S	.	.			trans	-78.1	63.2	176.2	-166.8	-115	0	0	0	111.3	I328 W336 H337 S349 L350 D351	I328-Y341 HydrophobicContact CB-CD2 4.4Å; I328-Y341 VanDerWaalsContact CD1-CB 3.47Å; I328-Y341 HydrophobicContact CD1-CD1 3.77Å; I328-Y341 HydrophobicContact CD1-CD2 4.29Å; I328-Y341 HydrophobicContact CD1-CG 3.59Å; I328-Y341 HydrophobicContact CG2-CD2 3.83Å; I328-Y341 HydrophobicContact CG2-CE1 4.49Å; I328-Y341 HydrophobicContact CG2-CE2 3.83Å; I328-Y341 HydrophobicContact CG2-CG 4.2Å; W336-Y341 HydrophobicContact CB-CD2 4.11Å; W336-Y341 AromaticContact CD2-CD2 3.57Å; W336-Y341 HydrophobicContact CD2-CD2 3.57Å; W336-Y341 AromaticContact CD2-CE2 4Å; W336-Y341 HydrophobicContact CD2-CE2 4Å; W336-Y341 AromaticContact CE3-CD2 3.69Å; W336-Y341 HydrophobicContact CE3-CD2 3.69Å; W336-Y341 AromaticContact CE3-CE2 3.75Å; W336-Y341 HydrophobicContact CE3-CE2 3.75Å; W336-Y341 AromaticContact CG-CD2 3.77Å; W336-Y341 HydrophobicContact CG-CD2 3.77Å; W336-Y341 HydrophobicContact CH2-CE2 4.15Å; W336-Y341 HydrophobicContact CZ2-CE2 4.39Å; W336-Y341 HydrophobicContact CZ3-CD2 4.26Å; W336-Y341 AromaticContact CZ3-CE2 3.85Å; W336-Y341 HydrophobicContact CZ3-CE2 3.85Å; H337-Y341 PolarHBondContact O-N 3.15Å; Y341-S349 WeakPolarHBondContact O-CA 3.33Å; Y341-L350 HydrophobicContact CD1-CB 3.78Å; Y341-L350 HydrophobicContact CD2-CB 4.12Å; Y341-L350 HydrophobicContact CD2-CD1 3.93Å; Y341-L350 HydrophobicContact CE1-CB 3.47Å; Y341-L350 VanDerWaalsContact CE1-CB 3.47Å; Y341-L350 HydrophobicContact CE2-CB 3.81Å; Y341-L350 HydrophobicContact CE2-CD1 3.94Å; Y341-L350 HydrophobicContact CG-CB 4.1Å; Y341-L350 HydrophobicContact CG-CD1 4.43Å; Y341-L350 VanDerWaalsContact CZ-CB 3.47Å; Y341-L350 PolarHBondContact O-N 2.78Å; Y341-L350 VanDerWaalsContact O-N 3.09Å; Y341-D351 WeakPolarHBondContact CE1-OD1 3.28Å
342	C	92.4	Very high	91.3	Very high	18 Å²	18	68.2 Å²	68.2	12%	0.122	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-142.4	151.4	-176.8	64	0	0	0	0	112	R34 H340 W344 G347 Q348	R34-C342 PolarHBondContact NH2-O 3.31Å; R34-C342 PolarHBondContact NH2-SG 3.23Å; H340-C342 PolarHBondContact O-N 3.47Å; C342-W344 PolarHBondContact O-N 3.33Å; C342-G347 WeakPolarHBondContact CB-O 3.47Å; C342-Q348 CarbonylContact C-O 3.5Å; C342-Q348 WeakPolarHBondContact CA-O 3.31Å; C342-Q348 WeakPolarHBondContact CB-O 3.28Å
343	C	89.8	Confident	90.8	Very high	12 Å²	12	69.9 Å²	69.9	8%	0.081	38%	0.382	C	S	.	.			trans	-57.9	135.4	176.1	177.5	0	0	0	0	110.4	K345 C346 G347 Q348 L350 C354	C343-K345 VanDerWaalsContact C-N 3.26Å; C343-K345 PolarHBondContact O-N 3.11Å; C343-K345 PolarHBondContact SG-N 2.87Å; C343-K345 VanDerWaalsContact SG-N 3.36Å; C343-C346 VanDerWaalsContact CB-SG 3.56Å; C343-G347 WeakPolarHBondContact O-CA 3.26Å; C343-G347 PolarHBondContact O-N 3.32Å; C343-Q348 PolarHBondContact N-O 2.95Å; C343-L350 HydrophobicContact CB-CD2 4.14Å; C343-C354 HydrophobicContact CB-CB 4.33Å; C343-C354 PolarHBondContact SG-SG 2.98Å
344	W	83.2	Confident	90.3	Very high	84 Å²	84	69.1 Å²	69.1	32%	0.318	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-38.4	176.9	-180	-79.3	0	0	0	113	R34 A36 C37 C342	R34-W344 HydrophobicContact CB-CH2 3.55Å; R34-W344 HydrophobicContact CB-CZ3 3.67Å; R34-W344 HydrophobicContact CG-CH2 4.1Å; R34-W344 HydrophobicContact CG-CZ3 3.92Å; A36-W344 HydrophobicContact CB-CH2 3.16Å; A36-W344 HydrophobicContact CB-CZ2 4Å; A36-W344 HydrophobicContact CB-CZ3 3.69Å; C37-W344 WeakPolarHBondContact O-CZ2 3.26Å; C342-W344 PolarHBondContact O-N 3.33Å
345	K	83.5	Confident	89.6	Confident	152 Å²	152	72.1 Å²	72.1	66%	0.661	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-48.8	-171.7	-65.2	-168.5	-168.7	162.5	0	113.6	C343 H356	C343-K345 VanDerWaalsContact C-N 3.26Å; C343-K345 PolarHBondContact O-N 3.11Å; C343-K345 PolarHBondContact SG-N 2.87Å; C343-K345 VanDerWaalsContact SG-N 3.36Å; K345-H356 HydrophobicContact CB-CB 4.33Å; K345-H356 HydrophobicContact CD-CB 3.95Å
346	C	88.2	Confident	88.4	Confident	51 Å²	51	78.3 Å²	78.3	35%	0.345	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-9.2	-172.9	65.5	0	0	0	0	113.9	C343 Q348	C343-C346 VanDerWaalsContact CB-SG 3.56Å; C346-Q348 HydrophobicContact CB-CG 4.37Å; C346-Q348 PolarHBondContact O-N 3.36Å
347	G	87.3	Confident	88	Confident	48 Å²	48	81.7 Å²	81.7	50%	0.495	43%	0.434	S	S	.	.			trans	70	3.7	-178.4	0	0	0	0	0	115.1	C342 C343	C342-G347 WeakPolarHBondContact CB-O 3.47Å; C343-G347 WeakPolarHBondContact O-CA 3.26Å; C343-G347 PolarHBondContact O-N 3.32Å
348	Q	90.4	Very high	87.5	Confident	112 Å²	112	85.2 Å²	85.2	52%	0.523	45%	0.453	S	S	.	.			trans	-67.8	147.7	175.7	-67.5	178.8	-3.4	0	0	111.1	C342 C343 C346	C342-Q348 CarbonylContact C-O 3.5Å; C342-Q348 WeakPolarHBondContact CA-O 3.31Å; C342-Q348 WeakPolarHBondContact CB-O 3.28Å; C343-Q348 PolarHBondContact N-O 2.95Å; C346-Q348 HydrophobicContact CB-CG 4.37Å; C346-Q348 PolarHBondContact O-N 3.36Å
349	S	90.4	Very high	87.1	Confident	50 Å²	50	84.2 Å²	84.2	35%	0.35	45%	0.448	S	S	.	.	B	Isolated β-bridge	trans	-56.4	141.1	175	-175.5	0	0	0	0	110.6	Y341 D351 S352	Y341-S349 WeakPolarHBondContact O-CA 3.33Å; S349-D351 PolarHBondContact O-N 2.98Å; S349-D351 VanDerWaalsContact OG-CG 3.28Å; S349-D351 PolarHBondContact OG-N 3.02Å; S349-D351 PolarHBondContact OG-OD2 3.49Å; S349-S352 PolarHBondContact O-N 3.14Å
350	L	90.2	Very high	86.8	Confident	57 Å²	57	79 Å²	79	30%	0.298	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-1.4	174.9	-64.7	175.5	0	0	0	113	W336 Y341 C343 S352	W336-L350 HydrophobicContact CZ2-CD1 4.36Å; Y341-L350 HydrophobicContact CD1-CB 3.78Å; Y341-L350 HydrophobicContact CD2-CB 4.12Å; Y341-L350 HydrophobicContact CD2-CD1 3.93Å; Y341-L350 HydrophobicContact CE1-CB 3.47Å; Y341-L350 VanDerWaalsContact CE1-CB 3.47Å; Y341-L350 HydrophobicContact CE2-CB 3.81Å; Y341-L350 HydrophobicContact CE2-CD1 3.94Å; Y341-L350 HydrophobicContact CG-CB 4.1Å; Y341-L350 HydrophobicContact CG-CD1 4.43Å; Y341-L350 VanDerWaalsContact CZ-CB 3.47Å; Y341-L350 PolarHBondContact O-N 2.78Å; Y341-L350 VanDerWaalsContact O-N 3.09Å; C343-L350 HydrophobicContact CB-CD2 4.14Å; L350-S352 PolarHBondContact O-N 2.85Å
351	D	86.8	Confident	86.3	Confident	125 Å²	125	82.9 Å²	82.9	67%	0.668	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-19	169.3	-59.7	-50	0	0	0	112.7	Y341 S349	Y341-D351 WeakPolarHBondContact CE1-OD1 3.28Å; S349-D351 PolarHBondContact O-N 2.98Å; S349-D351 VanDerWaalsContact OG-CG 3.28Å; S349-D351 PolarHBondContact OG-N 3.02Å; S349-D351 PolarHBondContact OG-OD2 3.49Å
352	S	85.1	Confident	85.7	Confident	71 Å²	71	85.7 Å²	85.7	50%	0.497	47%	0.468	S	S	.	.	S	Bend	trans	-119.5	145.5	179.7	-63.7	0	0	0	0	110.8	S349 L350 C354	S349-S352 PolarHBondContact O-N 3.14Å; L350-S352 PolarHBondContact O-N 2.85Å; S352-C354 PolarHBondContact O-N 3.03Å; S352-C354 VanDerWaalsContact O-N 3.13Å
353	P	82.1	Confident	85.2	Confident	130 Å²	130	90.5 Å²	90.5	84%	0.844	49%	0.493	S	S	*	.			trans	-56.5	120.6	175.9	-23.4	32.7	0	0	0	111.2
354	C	83.1	Confident	84.9	Confident	34 Å²	34	96.5 Å²	96.5	23%	0.23	52%	0.524	C	S	.	.			trans	-84.3	144.6	172.7	-175.8	0	0	0	0	110.1	C343 S352 H356	C343-C354 HydrophobicContact CB-CB 4.33Å; C343-C354 PolarHBondContact SG-SG 2.98Å; S352-C354 PolarHBondContact O-N 3.03Å; S352-C354 VanDerWaalsContact O-N 3.13Å; C354-H356 PolarHBondContact O-N 3.04Å; C354-H356 PolarHBondContact SG-N 3.34Å; C354-H356 VanDerWaalsContact SG-N 3.4Å; C354-H356 PolarHBondContact SG-OXT 3.49Å
355	Q	79.7	Confident	85	Confident	194 Å²	194	97.6 Å²	97.6	91%	0.907	54%	0.541	S	S	*	.			trans	-83.3	12.3	174.6	-62.9	-174.6	-7.6	0	0	113.4
356	H	73.2	Confident	85.1	Confident	147 Å²	147	92.6 Å²	92.6	68%	0.681	53%	0.531	S	S	*	.			trans	-130.4	0	179.2	-64.4	-48.3	0	0	0	110.1	K345 C354	K345-H356 HydrophobicContact CB-CB 4.33Å; K345-H356 HydrophobicContact CD-CB 3.95Å; C354-H356 PolarHBondContact O-N 3.04Å; C354-H356 PolarHBondContact SG-N 3.34Å; C354-H356 VanDerWaalsContact SG-N 3.4Å; C354-H356 PolarHBondContact SG-OXT 3.49Å

Retrieved 356 of 356 residues in 453.4 ms (Link to these results)

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