A0A061IQQ5_CRIGR Loading...

Lysophosphatidic acid phosphatase type 6

Hydrolyzes lysophosphatidic acid (LPA) containing a medium length fatty acid chain to the corresponding monoacylglycerol. Has highest activity with lysophosphatidic acid containing myristate (C14:0), monounsaturated oleate (C18:1) or palmitate (C16:0), and lower activity with C18:0 and C6:0 lysophosphatidic acid.

AlphaFold DB , UniProt , Accession A0A061IQQ5, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Acp6, Length 418 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.1	Very low	36.2	Very low	239 Å²	239	134.6 Å²	134.6	100%	1.177	73%	0.732	S	S	*	*				0	104.6	0	-72.8	169.8	-170.7	0	0	108.3
2	R	29.6	Very low	36.9	Very low	241 Å²	241	129.3 Å²	129.3	91%	0.909	71%	0.712	S	S	*	*			trans	-96.2	112.6	176.2	-80.1	-178	175.1	-176.8	-1.4	107.6
3	V	30.1	Very low	37.1	Very low	140 Å²	140	125.8 Å²	125.8	85%	0.848	69%	0.691	S	S	*	*			trans	-86.7	115	177.4	-176.3	0	0	0	0	107.9
4	W	34.3	Very low	37.8	Very low	239 Å²	239	121.6 Å²	121.6	91%	0.905	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-78.1	120.8	169.4	-86.3	38.3	0	0	0	109
5	A	31.6	Very low	38.5	Very low	84 Å²	84	122 Å²	122	69%	0.694	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-88.9	138.8	164.8	0	0	0	0	0	109.4
6	P	36.1	Very low	39.1	Very low	98 Å²	98	118.3 Å²	118.3	64%	0.636	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-71.3	138.5	-177.3	26.1	-30.7	0	0	0	112.2	G8 V9	P6-G8 PolarHBondContact O-N 3.29Å; P6-V9 PolarHBondContact O-N 3.14Å
7	V	42.4	Very low	39.4	Very low	121 Å²	121	119.4 Å²	119.4	73%	0.733	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.6	-14.6	-173.2	178.2	0	0	0	0	114.5
8	G	37.3	Very low	39.9	Very low	54 Å²	54	119.5 Å²	119.5	56%	0.557	65%	0.646	S	S	*	*	H	α-helix	trans	-74	-21.9	179.4	0	0	0	0	0	115.9	P6 S12	P6-G8 PolarHBondContact O-N 3.29Å; G8-S12 PolarHBondContact O-OG 3.15Å
9	V	41.1	Very low	40.4	Very low	88 Å²	88	118.5 Å²	118.5	53%	0.533	64%	0.637	S	S	.	*	H	α-helix	trans	-80.5	-31.2	-175.3	-178.3	0	0	0	0	112	P6 L13	P6-V9 PolarHBondContact O-N 3.14Å; V9-L13 PolarHBondContact O-N 3.32Å
10	L	39.8	Very low	40.5	Very low	133 Å²	133	121.7 Å²	121.7	70%	0.696	64%	0.639	S	S	*	*	H	α-helix	trans	-77.4	-32.1	-177.4	-68.9	169.1	0	0	0	113.2	S12 L13 A14	L10-S12 VanDerWaalsContact C-N 3.33Å; L10-L13 HydrophobicContact CD2-CD1 4.45Å; L10-L13 PolarHBondContact O-N 2.75Å; L10-A14 PolarHBondContact O-N 3.04Å
11	A	41.7	Very low	40.9	Very low	44 Å²	44	125.5 Å²	125.5	36%	0.364	65%	0.645	S	S	.	*	H	α-helix	trans	-68.6	-33.5	174.1	0	0	0	0	0	112.3	L13 Y15	A11-L13 VanDerWaalsContact C-N 3.35Å; A11-Y15 PolarHBondContact O-N 2.89Å
12	S	44.1	Very low	41.7	Very low	70 Å²	70	117.2 Å²	117.2	49%	0.49	61%	0.608	S	S	.	*	H	α-helix	trans	-68.4	-33.9	176.7	-56.1	0	0	0	0	112.1	G8 L10 C16	G8-S12 PolarHBondContact O-OG 3.15Å; L10-S12 VanDerWaalsContact C-N 3.33Å; S12-C16 WeakPolarHBondContact O-CB 3.43Å; S12-C16 PolarHBondContact O-N 3.03Å; S12-C16 PolarHBondContact O-SG 3.4Å
13	L	40	Very low	42.3	Very low	84 Å²	84	108.4 Å²	108.4	44%	0.44	59%	0.587	S	S	.	*	H	α-helix	trans	-71.5	-41.3	178.1	-73.1	166.4	0	0	0	112.2	V9 L10 A11 Y15 C16 F17	V9-L13 PolarHBondContact O-N 3.32Å; L10-L13 HydrophobicContact CD2-CD1 4.45Å; L10-L13 PolarHBondContact O-N 2.75Å; A11-L13 VanDerWaalsContact C-N 3.35Å; L13-Y15 VanDerWaalsContact C-N 3.3Å; L13-Y15 PolarHBondContact O-N 3.21Å; L13-C16 PolarHBondContact O-N 3.45Å; L13-F17 WeakPolarHBondContact O-CD2 3.3Å; L13-F17 PolarHBondContact O-N 3.45Å
14	A	47.5	Very low	42.9	Very low	67 Å²	67	108.5 Å²	108.5	55%	0.554	58%	0.582	S	S	*	*	H	α-helix	trans	-62.6	-37.1	175	0	0	0	0	0	112.3	L10 F17 H18	L10-A14 PolarHBondContact O-N 3.04Å; A14-F17 PolarHBondContact O-N 3.42Å; A14-H18 PolarHBondContact O-N 2.85Å; A14-H18 VanDerWaalsContact O-N 3.08Å
15	Y	47.6	Very low	43.4	Very low	128 Å²	128	99.9 Å²	99.9	50%	0.502	56%	0.562	S	S	.	*	H	α-helix	trans	-66.3	-42.9	173	-175	-101	0	0	0	112.3	A11 L13 F17 H18 Q19	A11-Y15 PolarHBondContact O-N 2.89Å; L13-Y15 VanDerWaalsContact C-N 3.3Å; L13-Y15 PolarHBondContact O-N 3.21Å; Y15-F17 PolarHBondContact O-N 3.07Å; Y15-H18 WeakPolarHBondContact O-CB 3.43Å; Y15-H18 PolarHBondContact O-N 2.78Å; Y15-Q19 HydrophobicContact CD1-CG 4.42Å; Y15-Q19 HydrophobicContact CE1-CG 4.13Å; Y15-Q19 PolarHBondContact O-N 2.69Å
16	C	48.5	Very low	44	Very low	63 Å²	63	102.6 Å²	102.6	43%	0.426	56%	0.56	S	S	.	*	H	α-helix	trans	-64.8	-35.4	174.4	-74.7	0	0	0	0	113.2	S12 L13 H18 Q19 R20	S12-C16 WeakPolarHBondContact O-CB 3.43Å; S12-C16 PolarHBondContact O-N 3.03Å; S12-C16 PolarHBondContact O-SG 3.4Å; L13-C16 PolarHBondContact O-N 3.45Å; C16-H18 VanDerWaalsContact C-N 3.35Å; C16-Q19 PolarHBondContact O-N 3.2Å; C16-R20 PolarHBondContact O-N 2.89Å
17	F	44.8	Very low	43.9	Very low	136 Å²	136	105.2 Å²	105.2	60%	0.596	57%	0.568	S	S	*	*	H	α-helix	trans	-69.5	-32.4	174.3	-82.5	-69.6	0	0	0	112.3	L13 A14 Y15 R21	L13-F17 WeakPolarHBondContact O-CD2 3.3Å; L13-F17 PolarHBondContact O-N 3.45Å; A14-F17 PolarHBondContact O-N 3.42Å; Y15-F17 PolarHBondContact O-N 3.07Å; F17-R21 PolarHBondContact O-N 3.22Å
18	H	48	Very low	43.8	Very low	122 Å²	122	110.6 Å²	110.6	57%	0.565	58%	0.576	S	S	*	*	H	α-helix	trans	-67.6	-47	170.6	-169.4	64.8	0	0	0	111.4	A14 Y15 C16 R20 R21 V22	A14-H18 PolarHBondContact O-N 2.85Å; A14-H18 VanDerWaalsContact O-N 3.08Å; Y15-H18 WeakPolarHBondContact O-CB 3.43Å; Y15-H18 PolarHBondContact O-N 2.78Å; C16-H18 VanDerWaalsContact C-N 3.35Å; H18-R20 VanDerWaalsContact C-N 3.31Å; H18-R20 PolarHBondContact O-N 3.41Å; H18-R21 PolarHBondContact O-N 2.9Å; H18-R21 VanDerWaalsContact O-N 3.08Å; H18-V22 WeakPolarHBondContact O-CG2 3.48Å; H18-V22 PolarHBondContact O-N 3.26Å
19	Q	48.1	Very low	43.8	Very low	101 Å²	101	112.4 Å²	112.4	47%	0.472	58%	0.58	S	S	.	*	H	α-helix	trans	-58.9	-38.6	174.9	-74.7	-169	-32.6	0	0	113.1	Y15 C16 V22 A23	Y15-Q19 HydrophobicContact CD1-CG 4.42Å; Y15-Q19 HydrophobicContact CE1-CG 4.13Å; Y15-Q19 PolarHBondContact O-N 2.69Å; C16-Q19 PolarHBondContact O-N 3.2Å; Q19-V22 PolarHBondContact O-N 2.82Å; Q19-A23 WeakPolarHBondContact O-CB 3.36Å; Q19-A23 PolarHBondContact O-N 2.84Å
20	R	43.7	Very low	43.6	Very low	181 Å²	181	114.2 Å²	114.2	68%	0.683	60%	0.596	S	S	*	*	H	α-helix	trans	-67	-34	174.7	-96.8	-174.8	173.3	-177.8	-1.6	113.4	C16 H18 L24	C16-R20 PolarHBondContact O-N 2.89Å; H18-R20 VanDerWaalsContact C-N 3.31Å; H18-R20 PolarHBondContact O-N 3.41Å; R20-L24 WeakPolarHBondContact O-CB 3.12Å; R20-L24 PolarHBondContact O-N 2.86Å; R20-L24 VanDerWaalsContact O-N 3.15Å
21	R	47.5	Very low	43.6	Very low	202 Å²	202	111.6 Å²	111.6	76%	0.762	60%	0.601	S	S	*	*	H	α-helix	trans	-70	-37.9	173.8	-81.6	-174.1	171.6	-176.2	-1.7	111.8	F17 H18 L24 A25	F17-R21 PolarHBondContact O-N 3.22Å; H18-R21 PolarHBondContact O-N 2.9Å; H18-R21 VanDerWaalsContact O-N 3.08Å; R21-L24 PolarHBondContact O-N 2.82Å; R21-A25 WeakPolarHBondContact O-CB 3.42Å; R21-A25 PolarHBondContact O-N 2.86Å; R21-A25 VanDerWaalsContact O-N 3.13Å
22	V	52.2	Low	43.3	Very low	65 Å²	65	113.3 Å²	113.3	39%	0.394	61%	0.61	S	S	.	*	H	α-helix	trans	-65.1	-46.7	174.5	175.4	0	0	0	0	110.8	H18 Q19 L24 A25 E26	H18-V22 WeakPolarHBondContact O-CG2 3.48Å; H18-V22 PolarHBondContact O-N 3.26Å; Q19-V22 PolarHBondContact O-N 2.82Å; V22-L24 VanDerWaalsContact C-N 3.3Å; V22-L24 PolarHBondContact O-N 2.7Å; V22-A25 PolarHBondContact O-N 2.79Å; V22-E26 HydrophobicContact CG1-CG 4.46Å; V22-E26 WeakPolarHBondContact O-CG 3.43Å; V22-E26 PolarHBondContact O-N 2.89Å
23	A	42.8	Very low	43.6	Very low	57 Å²	57	119 Å²	119	47%	0.471	63%	0.63	S	S	.	*	H	α-helix	trans	-64.5	-29.7	178.3	0	0	0	0	0	113.9	Q19	Q19-A23 WeakPolarHBondContact O-CB 3.36Å; Q19-A23 PolarHBondContact O-N 2.84Å
24	L	42.5	Very low	44.4	Very low	141 Å²	141	123 Å²	123	74%	0.738	65%	0.646	S	S	*	*	H	α-helix	trans	-79	-21.3	173.2	-83.3	160.5	0	0	0	113	R20 R21 V22	R20-L24 WeakPolarHBondContact O-CB 3.12Å; R20-L24 PolarHBondContact O-N 2.86Å; R20-L24 VanDerWaalsContact O-N 3.15Å; R21-L24 PolarHBondContact O-N 2.82Å; V22-L24 VanDerWaalsContact C-N 3.3Å; V22-L24 PolarHBondContact O-N 2.7Å
25	A	43.5	Very low	46	Very low	59 Å²	59	128.8 Å²	128.8	49%	0.488	66%	0.661	S	S	.	*	H	α-helix	trans	-85	-30.6	174.1	0	0	0	0	0	112.7	R21 V22 N27 R28	R21-A25 WeakPolarHBondContact O-CB 3.42Å; R21-A25 PolarHBondContact O-N 2.86Å; R21-A25 VanDerWaalsContact O-N 3.13Å; V22-A25 PolarHBondContact O-N 2.79Å; A25-N27 PolarHBondContact O-N 2.84Å; A25-R28 PolarHBondContact O-N 2.87Å; A25-R28 VanDerWaalsContact O-N 3.15Å
26	E	43.8	Very low	47.9	Very low	140 Å²	140	125 Å²	125	65%	0.654	65%	0.651	S	S	*	*	H	α-helix	trans	-62.5	-23.5	176.5	-79.8	178.1	157.1	0	0	113.1	V22 R28	V22-E26 HydrophobicContact CG1-CG 4.46Å; V22-E26 WeakPolarHBondContact O-CG 3.43Å; V22-E26 PolarHBondContact O-N 2.89Å; E26-R28 PolarHBondContact O-N 3.13Å
27	N	35.4	Very low	50	Low	153 Å²	153	126.1 Å²	126.1	82%	0.818	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	5.3	177.5	-121.6	3.9	0	0	0	114.3	A25	A25-N27 PolarHBondContact O-N 2.84Å
28	R	40.6	Very low	52.4	Low	235 Å²	235	125.7 Å²	125.7	89%	0.887	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128	8.5	-178.4	-84.3	-171	176.5	-176.9	-0.4	116.4	A25 E26	A25-R28 PolarHBondContact O-N 2.87Å; A25-R28 VanDerWaalsContact O-N 3.15Å; E26-R28 PolarHBondContact O-N 3.13Å
29	S	36.3	Very low	54.6	Low	92 Å²	92	124 Å²	124	64%	0.643	65%	0.65	S	S	*	*			trans	-138.8	74.4	177.8	55.8	0	0	0	0	113.3	G31	S29-G31 PolarHBondContact O-N 2.86Å
30	S	37	Very low	56.9	Low	125 Å²	125	120.9 Å²	120.9	87%	0.874	64%	0.636	S	S	*	*			trans	-70.7	112.7	156.8	56.8	0	0	0	0	109.3
31	G	39.2	Very low	59.5	Low	78 Å²	78	113.3 Å²	113.3	80%	0.804	61%	0.609	S	S	*	*	S	Bend	trans	80.6	68.7	154.9	0	0	0	0	0	117.3	S29	S29-G31 PolarHBondContact O-N 2.86Å
32	S	37.2	Very low	61.9	Low	80 Å²	80	107.7 Å²	107.7	56%	0.559	59%	0.591	S	S	*	*			trans	-156.2	125.8	138.5	64.2	0	0	0	0	108.5	H34	S32-H34 PolarHBondContact O-N 2.78Å
33	Q	48.6	Very low	64.1	Low	191 Å²	191	105.4 Å²	105.4	89%	0.893	58%	0.577	S	S	*	*			trans	-73.4	85.9	169.5	-152	168.6	0	0	0	105	Q35	Q33-Q35 PolarHBondContact O-N 2.77Å
34	H	58.7	Low	66.8	Low	167 Å²	167	105.6 Å²	105.6	77%	0.773	57%	0.567	S	S	*	*			trans	-59.8	107.4	176.5	-91.6	-33.3	0	0	0	107.8	S32 V36	S32-H34 PolarHBondContact O-N 2.78Å; H34-V36 PolarHBondContact O-N 3.18Å; H34-V36 VanDerWaalsContact O-N 3.12Å
35	Q	79.6	Confident	69.4	Low	189 Å²	189	99 Å²	99	88%	0.883	53%	0.532	S	S	*	.			trans	-61.7	113.9	174.4	-172.2	173.2	4.6	0	0	107.2	Q33 D37	Q33-Q35 PolarHBondContact O-N 2.77Å; Q35-D37 PolarHBondContact O-N 3.23Å
36	V	88.8	Confident	72.1	Confident	49 Å²	49	96.2 Å²	96.2	30%	0.297	51%	0.509	S	S	.	.			trans	-61.6	121.9	178.2	179.3	0	0	0	0	108.1	H34 R38 L41 F365 L384	H34-V36 PolarHBondContact O-N 3.18Å; H34-V36 VanDerWaalsContact O-N 3.12Å; V36-R38 PolarHBondContact O-N 3.14Å; V36-R38 VanDerWaalsContact O-N 3.12Å; V36-L41 HydrophobicContact CG1-CD2 4.2Å; V36-F365 HydrophobicContact CG2-CE1 4.34Å; V36-F365 HydrophobicContact CG2-CZ 4.19Å; V36-L384 HydrophobicContact CB-CD2 4.07Å; V36-L384 HydrophobicContact CG1-CD2 3.97Å; V36-L384 HydrophobicContact CG2-CD2 4.46Å
37	D	92.6	Very high	74.7	Confident	86 Å²	86	89.6 Å²	89.6	46%	0.46	48%	0.478	S	S	.	.			trans	-69.3	108.8	173.4	-176.2	-8.4	0	0	0	109	Q35 S39 L40	Q35-D37 PolarHBondContact O-N 3.23Å; D37-S39 PolarHBondContact O-N 2.97Å; D37-S39 VanDerWaalsContact OD1-CB 3.3Å; D37-S39 WeakPolarHBondContact OD1-CB 3.31Å; D37-S39 PolarHBondContact OD1-N 3.44Å; D37-S39 PolarHBondContact OD1-OG 3.37Å; D37-S39 PolarHBondContact OD2-OG 2.88Å; D37-S39 VanDerWaalsContact OD2-OG 3.04Å; D37-L40 HydrophobicContact CB-CD1 4.22Å; D37-L40 HydrophobicContact CB-CG 4.36Å; D37-L40 PolarHBondContact O-N 3.5Å; D37-L40 VanDerWaalsContact O-N 3.15Å
38	R	93.4	Very high	77.7	Confident	127 Å²	127	82.3 Å²	82.3	48%	0.479	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-64.5	-20.5	-178.6	-71.5	-170.4	164.7	-160.7	-3.2	112.8	V36 L40 L41 E374	V36-R38 PolarHBondContact O-N 3.14Å; V36-R38 VanDerWaalsContact O-N 3.12Å; R38-L40 PolarHBondContact O-N 3.34Å; R38-L41 HydrophobicContact CB-CD1 4.2Å; R38-L41 HydrophobicContact CG-CD1 3.99Å; R38-L41 WeakPolarHBondContact O-CB 3.35Å; R38-L41 PolarHBondContact O-N 3.22Å; R38-L41 VanDerWaalsContact O-N 3.15Å; R38-E374 IonicContact CZ-OE1 3.85Å; R38-E374 IonicContact NH1-OE1 2.74Å; R38-E374 IonicContact NH2-OE1 3.19Å; R38-E374 PolarHBondContact NH2-OE1 3.23Å
39	S	94.8	Very high	80.5	Confident	87 Å²	87	71.2 Å²	71.2	61%	0.608	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-67.2	-22.3	176.6	74.6	0	0	0	0	112.9	D37	D37-S39 PolarHBondContact O-N 2.97Å; D37-S39 VanDerWaalsContact OD1-CB 3.3Å; D37-S39 WeakPolarHBondContact OD1-CB 3.31Å; D37-S39 PolarHBondContact OD1-N 3.44Å; D37-S39 PolarHBondContact OD1-OG 3.37Å; D37-S39 PolarHBondContact OD2-OG 2.88Å; D37-S39 VanDerWaalsContact OD2-OG 3.04Å
40	L	97.2	Very high	83.5	Confident	34 Å²	34	66.9 Å²	66.9	18%	0.178	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-89.8	1.6	176.3	-61	177	0	0	0	113	D37 R38 Q359 E360	D37-L40 HydrophobicContact CB-CD1 4.22Å; D37-L40 HydrophobicContact CB-CG 4.36Å; D37-L40 PolarHBondContact O-N 3.5Å; D37-L40 VanDerWaalsContact O-N 3.15Å; R38-L40 PolarHBondContact O-N 3.34Å; L40-Q359 WeakPolarHBondContact O-CB 3.02Å; L40-Q359 VanDerWaalsContact O-CG 3.31Å; L40-Q359 WeakPolarHBondContact O-CG 3.48Å; L40-Q359 PolarHBondContact O-N 3.4Å; L40-E360 HydrophobicContact CD1-CG 4.09Å
41	L	98.1	Very high	86.4	Confident	22 Å²	22	61.3 Å²	61.3	12%	0.115	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	126.4	176.6	-64.4	175.3	0	0	0	110.7	V36 R38 Y356 H358 F365 L384	V36-L41 HydrophobicContact CG1-CD2 4.2Å; R38-L41 HydrophobicContact CB-CD1 4.2Å; R38-L41 HydrophobicContact CG-CD1 3.99Å; R38-L41 WeakPolarHBondContact O-CB 3.35Å; R38-L41 PolarHBondContact O-N 3.22Å; R38-L41 VanDerWaalsContact O-N 3.15Å; L41-Y356 HydrophobicContact CB-CD1 3.88Å; L41-Y356 HydrophobicContact CB-CG 4.34Å; L41-H358 HydrophobicContact CD2-CB 4.13Å; L41-F365 HydrophobicContact CD2-CD2 3.9Å; L41-F365 HydrophobicContact CD2-CE2 4.34Å; L41-L384 HydrophobicContact CD1-CD1 3.92Å; L41-L384 HydrophobicContact CD1-CD2 3.71Å; L41-L384 HydrophobicContact CD1-CG 4.5Å
42	E	98.1	Very high	89.3	Confident	85 Å²	85	57.7 Å²	57.7	40%	0.397	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	123.3	173.8	-165.3	-168.4	150.8	0	0	109.7	K44 Y356 Q357 Q359	E42-K44 IonicContact OE1-NZ 3.95Å; E42-K44 PolarHBondContact OE1-NZ 3.34Å; E42-K44 WeakPolarHBondContact OE2-CE 3.38Å; E42-K44 IonicContact OE2-NZ 3.78Å; E42-K44 PolarHBondContact OE2-NZ 3.12Å; E42-Y356 WeakPolarHBondContact O-CA 3.48Å; E42-Q357 PolarHBondContact N-O 2.92Å; E42-Q357 PolarHBondContact O-N 3.18Å; E42-Q359 HydrophobicContact CB-CG 4.25Å
43	L	98.6	Very high	92.2	Very high	17 Å²	17	53.9 Å²	53.9	9%	0.089	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	129	176.8	-177.1	64.3	0	0	0	110.3	V46 Y136 I140 F142 E354 Y356	L43-V46 HydrophobicContact CD1-CG2 4.07Å; L43-V46 HydrophobicContact CD2-CG2 3.82Å; L43-V46 HydrophobicContact CG-CG2 4.28Å; L43-Y136 HydrophobicContact CD2-CD1 3.77Å; L43-Y136 HydrophobicContact CD2-CE1 3.92Å; L43-I140 HydrophobicContact CB-CD1 4.22Å; L43-I140 HydrophobicContact CD2-CD1 3.51Å; L43-F142 HydrophobicContact CB-CD2 4.25Å; L43-F142 HydrophobicContact CB-CE2 4.45Å; L43-F142 HydrophobicContact CD2-CB 4.2Å; L43-F142 HydrophobicContact CD2-CD1 3.72Å; L43-F142 HydrophobicContact CD2-CD2 3.98Å; L43-F142 HydrophobicContact CD2-CE1 4.05Å; L43-F142 HydrophobicContact CD2-CE2 4.28Å; L43-F142 HydrophobicContact CD2-CG 3.7Å; L43-F142 HydrophobicContact CD2-CZ 4.32Å; L43-F142 HydrophobicContact CG-CD1 4.39Å; L43-F142 HydrophobicContact CG-CD2 3.99Å; L43-F142 HydrophobicContact CG-CE1 4.36Å; L43-F142 HydrophobicContact CG-CE2 3.95Å; L43-F142 HydrophobicContact CG-CG 4.23Å; L43-F142 HydrophobicContact CG-CZ 4.14Å; L43-F142 WeakPolarHBondContact O-CE2 3.46Å; L43-E354 HydrophobicContact CD1-CB 3.85Å; L43-E354 HydrophobicContact CD1-CG 4.29Å; L43-Y356 HydrophobicContact CB-CD1 4.04Å; L43-Y356 HydrophobicContact CB-CE1 3.7Å; L43-Y356 HydrophobicContact CD1-CD1 4.2Å; L43-Y356 HydrophobicContact CD1-CD2 4.46Å; L43-Y356 HydrophobicContact CD1-CE1 3.78Å; L43-Y356 HydrophobicContact CD1-CE2 4.06Å; L43-Y356 HydrophobicContact CG-CE1 4.29Å
44	K	97.9	Very high	94.6	Very high	60 Å²	60	44.8 Å²	44.8	26%	0.261	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	-31.9	-175.4	-61.4	-61.2	-174.6	178.4	0	113.7	E42 L355 Q357 W364	E42-K44 IonicContact OE1-NZ 3.95Å; E42-K44 PolarHBondContact OE1-NZ 3.34Å; E42-K44 WeakPolarHBondContact OE2-CE 3.38Å; E42-K44 IonicContact OE2-NZ 3.78Å; E42-K44 PolarHBondContact OE2-NZ 3.12Å; K44-L355 PolarHBondContact N-O 3.24Å; K44-Q357 HydrophobicContact CG-CB 3.99Å; K44-W364 HydrophobicContact CB-CH2 4.35Å; K44-W364 HydrophobicContact CB-CZ3 3.81Å; K44-W364 HydrophobicContact CG-CH2 3.94Å; K44-W364 HydrophobicContact CG-CZ3 3.58Å
45	M	98.7	Very high	96.5	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.015	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	146.6	-178.8	-179	-178.5	-68.5	0	0	111	Q47 N303 A307 K319 Y321 E354 L355	M45-Q47 HydrophobicContact CG-CG 4.34Å; M45-Q47 HydrophobicContact SD-CG 4.23Å; M45-N303 WeakPolarHBondContact CE-O 3.47Å; M45-N303 HydrophobicContact SD-CB 3.95Å; M45-A307 HydrophobicContact CE-CB 3.39Å; M45-A307 HydrophobicContact SD-CB 4.31Å; M45-K319 CarbonylContact C-O 3.57Å; M45-K319 WeakPolarHBondContact CA-O 3.3Å; M45-Y321 HydrophobicContact CE-CE2 3.65Å; M45-Y321 HydrophobicContact CG-CD2 4.08Å; M45-Y321 HydrophobicContact CG-CE2 3.92Å; M45-Y321 HydrophobicContact SD-CD2 4.08Å; M45-Y321 HydrophobicContact SD-CE2 3.62Å; M45-E354 WeakPolarHBondContact O-CA 3.3Å; M45-L355 HydrophobicContact CB-CB 4.05Å; M45-L355 HydrophobicContact CB-CD2 4.26Å; M45-L355 PolarHBondContact N-O 3.31Å; M45-L355 PolarHBondContact O-N 3.21Å
46	V	98.9	Very high	97.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	133.4	170.9	-177.4	0	0	0	0	109.2	L43 V48 Y136 F142 K319 L320 Y321 T352 M353 E354	L43-V46 HydrophobicContact CD1-CG2 4.07Å; L43-V46 HydrophobicContact CD2-CG2 3.82Å; L43-V46 HydrophobicContact CG-CG2 4.28Å; V46-V48 HydrophobicContact CG1-CG2 3.9Å; V46-Y136 HydrophobicContact CG1-CE2 3.79Å; V46-Y136 HydrophobicContact CG2-CD1 4.06Å; V46-Y136 HydrophobicContact CG2-CE1 3.74Å; V46-Y136 HydrophobicContact CG2-CE2 4.29Å; V46-Y136 HydrophobicContact CG2-CG 4.5Å; V46-F142 HydrophobicContact CB-CE1 4.35Å; V46-F142 HydrophobicContact CG2-CD1 4.23Å; V46-F142 HydrophobicContact CG2-CE1 3.66Å; V46-F142 HydrophobicContact CG2-CZ 4.35Å; V46-K319 PolarHBondContact N-O 3.15Å; V46-L320 HydrophobicContact CB-CD1 3.94Å; V46-L320 HydrophobicContact CG1-CD1 3.87Å; V46-L320 CarbonylContact O-C 3.54Å; V46-L320 WeakPolarHBondContact O-CA 3.44Å; V46-Y321 PolarHBondContact O-N 2.82Å; V46-T352 HydrophobicContact CG1-CG2 3.99Å; V46-M353 CarbonylContact C-O 3.47Å; V46-M353 WeakPolarHBondContact CA-O 3.18Å; V46-E354 HydrophobicContact CG2-CG 4.36Å
47	Q	98.9	Very high	97.9	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.009	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	125.3	170.3	-53.8	-177.3	84.1	0	0	108.7	M45 L300 N303 Y321 T352 M353	M45-Q47 HydrophobicContact CG-CG 4.34Å; M45-Q47 HydrophobicContact SD-CG 4.23Å; Q47-L300 HydrophobicContact CB-CD2 4.45Å; Q47-L300 PolarHBondContact NE2-O 3.43Å; Q47-L300 PolarHBondContact OE1-O 2.85Å; Q47-N303 PolarHBondContact OE1-ND2 2.94Å; Q47-Y321 WeakPolarHBondContact CA-O 3.3Å; Q47-Y321 HydrophobicContact CG-CD2 4.05Å; Q47-Y321 HydrophobicContact CG-CG 4.39Å; Q47-T352 WeakPolarHBondContact O-CA 3.2Å; Q47-M353 HydrophobicContact CB-CB 4.36Å; Q47-M353 PolarHBondContact N-O 2.93Å; Q47-M353 PolarHBondContact O-N 3.38Å
48	V	98.9	Very high	98.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	118.5	179.3	-171.6	0	0	0	0	109	V46 F50 L132 L320 Y321 L322 Y323 D350 T352	V46-V48 HydrophobicContact CG1-CG2 3.9Å; V48-F50 HydrophobicContact CG1-CD1 4.26Å; V48-L132 HydrophobicContact CG2-CD1 4.35Å; V48-L132 HydrophobicContact CG2-CD2 4.01Å; V48-L320 HydrophobicContact CG2-CD1 3.98Å; V48-Y321 PolarHBondContact N-O 3.21Å; V48-L322 HydrophobicContact CB-CD2 3.78Å; V48-L322 HydrophobicContact CG2-CD2 4.05Å; V48-Y323 PolarHBondContact O-N 3.43Å; V48-D350 HydrophobicContact CG1-CB 4Å; V48-T352 HydrophobicContact CG2-CG2 4.29Å
49	V	98.9	Very high	98.3	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.012	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	119.3	172.8	-175	0	0	0	0	107.5	F296 L300 Y323 T325 L330 D350 L351	V49-F296 HydrophobicContact CB-CZ 4.47Å; V49-F296 HydrophobicContact CG1-CE1 3.74Å; V49-F296 HydrophobicContact CG1-CZ 3.9Å; V49-F296 HydrophobicContact CG2-CE1 4.19Å; V49-F296 HydrophobicContact CG2-CZ 3.72Å; V49-L300 HydrophobicContact CG2-CD1 4.19Å; V49-L300 HydrophobicContact CG2-CD2 4.18Å; V49-Y323 WeakPolarHBondContact CA-O 2.84Å; V49-Y323 HydrophobicContact CG2-CD2 4.2Å; V49-T325 HydrophobicContact CG1-CG2 3.7Å; V49-T325 WeakPolarHBondContact CG1-OG1 3.04Å; V49-L330 HydrophobicContact CB-CD2 4.47Å; V49-L330 HydrophobicContact CG1-CD2 3.99Å; V49-D350 CarbonylContact O-C 3.48Å; V49-D350 WeakPolarHBondContact O-CA 3.43Å; V49-L351 HydrophobicContact CB-CB 4.35Å; V49-L351 PolarHBondContact N-O 3.21Å; V49-L351 PolarHBondContact O-N 3.39Å
50	F	98.9	Very high	98.4	Very high	1 Å²	1	22.5 Å²	22.5	0%	0.004	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	151.2	-174.6	60.1	-88.5	0	0	0	112.6	V48 M125 L128 T166 L169 L322 Y323 A324 T325 V349 D350	V48-F50 HydrophobicContact CG1-CD1 4.26Å; F50-M125 HydrophobicContact CD2-CE 3.35Å; F50-M125 HydrophobicContact CD2-SD 4.45Å; F50-M125 HydrophobicContact CE2-CE 3.57Å; F50-M125 HydrophobicContact CG-CE 4.15Å; F50-L128 HydrophobicContact CB-CD2 4.12Å; F50-T166 HydrophobicContact CZ-CG2 4.48Å; F50-L169 HydrophobicContact CD1-CD1 3.91Å; F50-L169 HydrophobicContact CD2-CD1 4.42Å; F50-L169 HydrophobicContact CE1-CD1 3.77Å; F50-L169 HydrophobicContact CE2-CD1 4.28Å; F50-L169 HydrophobicContact CG-CD1 4.23Å; F50-L169 HydrophobicContact CZ-CD1 3.95Å; F50-L322 HydrophobicContact CE1-CB 4.18Å; F50-Y323 WeakPolarHBondContact CD1-O 3.32Å; F50-Y323 PolarHBondContact N-O 3.19Å; F50-A324 HydrophobicContact CD2-CB 4.27Å; F50-A324 HydrophobicContact CE1-CB 4.31Å; F50-A324 HydrophobicContact CE2-CB 3.47Å; F50-A324 VanDerWaalsContact CE2-CB 3.47Å; F50-A324 HydrophobicContact CZ-CB 3.51Å; F50-T325 PolarHBondContact O-N 3.44Å; F50-T325 PolarHBondContact O-OG1 3.36Å; F50-V349 CarbonylContact C-O 3.39Å; F50-V349 VanDerWaalsContact CA-O 3.26Å; F50-V349 WeakPolarHBondContact CA-O 3.35Å; F50-D350 HydrophobicContact CB-CB 4.19Å
51	R	98.9	Very high	98.4	Very high	8 Å²	8	21 Å²	21	3%	0.03	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	148.7	165.8	-168.9	-176.2	-178.6	-152.5	-2.3	108.5	D327 L330 P345 P346 A348 V349	R51-D327 IonicContact CZ-OD2 3.94Å; R51-D327 IonicContact NE-OD2 3.2Å; R51-D327 PolarHBondContact NE-OD2 2.71Å; R51-D327 IonicContact NH2-OD2 3.54Å; R51-D327 PolarHBondContact NH2-OD2 2.96Å; R51-L330 HydrophobicContact CB-CD1 3.93Å; R51-P345 WeakPolarHBondContact CD-O 3.44Å; R51-P345 PolarHBondContact NH1-O 3.31Å; R51-P346 VanDerWaalsContact CD-O 3.28Å; R51-P346 WeakPolarHBondContact CD-O 3.24Å; R51-P346 VanDerWaalsContact NH1-C 3.34Å; R51-A348 WeakPolarHBondContact O-CA 3.12Å; R51-V349 HydrophobicContact CB-CG1 4.12Å; R51-V349 PolarHBondContact N-O 3.09Å
52	H	98.9	Very high	98.3	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.009	11%	0.112	C	C	.	.			trans	-54.9	160.5	167.9	61	73.9	0	0	0	112.8	R55 R161 N162 S165 F347 A348	H52-R55 VanDerWaalsContact CE1-CD 3.45Å; H52-R55 WeakPolarHBondContact CE1-CD 3.22Å; H52-R55 PolarHBondContact CE1-NE 3.28Å; H52-R161 PolarHBondContact NE2-NE 3.5Å; H52-N162 VanDerWaalsContact CB-OD1 3.3Å; H52-N162 WeakPolarHBondContact CB-OD1 3.23Å; H52-N162 PolarHBondContact CD2-OD1 3.02Å; H52-S165 VanDerWaalsContact CA-OG 3.29Å; H52-S165 WeakPolarHBondContact CA-OG 3.45Å; H52-S165 VanDerWaalsContact CB-OG 3.22Å; H52-S165 WeakPolarHBondContact CB-OG 3.28Å; H52-F347 AromaticContact CE1-CE1 3.87Å; H52-A348 PolarHBondContact O-N 3.27Å
53	G	98.9	Very high	98.1	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.102	C	C	.	.			trans	-70.1	-178.1	173.8	0	0	0	0	0	113.8	S165 F347	G53-S165 PolarHBondContact N-OG 3.47Å; G53-S165 VanDerWaalsContact N-OG 3.14Å; G53-F347 WeakPolarHBondContact O-CD1 3.49Å
54	A	98.9	Very high	97.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.141	C	C	.	.			trans	-54.1	139.4	176.4	0	0	0	0	0	112.7	L117 T118 V120 G121 V253 F347	A54-L117 WeakPolarHBondContact O-CD1 3.3Å; A54-T118 PolarHBondContact O-N 2.91Å; A54-T118 VanDerWaalsContact O-N 3.13Å; A54-T118 PolarHBondContact O-OG1 3.04Å; A54-V120 HydrophobicContact CB-CB 4.31Å; A54-V120 HydrophobicContact CB-CG1 4.02Å; A54-G121 WeakPolarHBondContact O-CA 3.34Å; A54-V253 HydrophobicContact CB-CB 4.48Å; A54-V253 HydrophobicContact CB-CG1 3.57Å; A54-V253 HydrophobicContact CB-CG2 4.04Å; A54-F347 HydrophobicContact CB-CB 4.48Å; A54-F347 HydrophobicContact CB-CD2 4.01Å; A54-F347 HydrophobicContact CB-CE2 4.47Å; A54-F347 HydrophobicContact CB-CG 4.23Å
55	R	98.9	Very high	97.2	Very high	8 Å²	8	34.2 Å²	34.2	3%	0.03	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-142.9	168.3	-173.8	56.7	164.7	-179.6	67.5	4.5	111.5	H52 Q116 R161 D246 A250 H254 F347	H52-R55 VanDerWaalsContact CE1-CD 3.45Å; H52-R55 WeakPolarHBondContact CE1-CD 3.22Å; H52-R55 PolarHBondContact CE1-NE 3.28Å; R55-Q116 CarbonylContact C-O 3.59Å; R55-Q116 WeakPolarHBondContact CA-O 3.31Å; R55-Q116 WeakPolarHBondContact CB-O 3.35Å; R55-R161 VanDerWaalsContact CD-CD 3.5Å; R55-D246 IonicContact CZ-OD1 2.73Å; R55-D246 IonicContact NH1-OD1 3.72Å; R55-D246 PolarHBondContact NH1-OD1 3.39Å; R55-D246 IonicContact NH1-OD2 2.72Å; R55-D246 IonicContact NH2-OD1 3.82Å; R55-D246 PolarHBondContact NH2-OD1 3.31Å; R55-A250 WeakPolarHBondContact O-CB 3.46Å; R55-H254 PolarHBondContact O-CE1 3.48Å; R55-F347 HydrophobicContact CG-CE1 3.82Å; R55-F347 HydrophobicContact CG-CZ 4.18Å
56	S	98.8	Very high	97	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.182	C	C	.	.			trans	-61.3	154.9	160.9	40.4	0	0	0	0	112	F113 G115 Q116	S56-F113 PolarHBondContact OG-O 2.54Å; S56-G115 WeakPolarHBondContact O-CA 3.45Å; S56-G115 PolarHBondContact O-N 3.39Å; S56-G115 PolarHBondContact OG-N 2.57Å; S56-G115 VanDerWaalsContact OG-N 3.12Å; S56-Q116 PolarHBondContact N-O 2.94Å; S56-Q116 PolarHBondContact OG-N 2.93Å
57	P	98.6	Very high	96.8	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.188	C	C	.	.			trans	-60.2	154.7	171.5	27.8	-36.1	0	0	0	110.6	W69 L108 A114 G115 D246 A250	P57-W69 HydrophobicContact CG-CZ2 4.09Å; P57-L108 HydrophobicContact CG-CD1 3.83Å; P57-L108 HydrophobicContact CG-CD2 4.36Å; P57-A114 VanDerWaalsContact O-CA 3.31Å; P57-A114 WeakPolarHBondContact O-CA 3.42Å; P57-A114 WeakPolarHBondContact O-CB 3.42Å; P57-G115 PolarHBondContact O-N 2.92Å; P57-D246 WeakPolarHBondContact CA-OD2 3.5Å; P57-A250 HydrophobicContact CB-CB 4.48Å
58	L	98.3	Very high	96.8	Very high	51 Å²	51	43.7 Å²	43.7	27%	0.267	22%	0.215	S	C	.	.	S	Bend	trans	-75	-29.9	175.1	-55.8	-175.2	0	0	0	111.3	Y103 A114 D246	L58-Y103 HydrophobicContact CD2-CD1 4.29Å; L58-Y103 HydrophobicContact CD2-CE1 3.71Å; L58-A114 WeakPolarHBondContact O-CB 3.43Å; L58-D246 WeakPolarHBondContact CB-OD2 3.44Å; L58-D246 PolarHBondContact N-OD2 3.36Å
59	K	96.4	Very high	96.7	Very high	133 Å²	133	44 Å²	44	58%	0.578	22%	0.216	S	C	*	.	S	Bend	trans	-147	137.1	176.1	-64.1	-176.8	-179.2	178.9	0	109.6	N247	K59-N247 PolarHBondContact O-ND2 3.1Å; K59-N247 PolarHBondContact O-OD1 3.44Å
60	P	96.8	Very high	96.7	Very high	44 Å²	44	47 Å²	47	29%	0.286	23%	0.232	S	C	.	.			trans	-71.4	158.5	173.9	31.4	-33.4	0	0	0	111.1	L108	P60-L108 HydrophobicContact CB-CD2 4.04Å; P60-L108 HydrophobicContact CG-CD2 4.06Å
61	L	96.9	Very high	96.6	Very high	4 Å²	4	49.7 Å²	49.7	2%	0.021	25%	0.25	C	C	.	.			trans	-71.3	140.9	168.4	-66.6	172.3	0	0	0	110.6	V63 Q66 I233 V239 V243 L244 N247 L262	L61-V63 HydrophobicContact CB-CG2 4.17Å; L61-V63 PolarHBondContact O-N 2.94Å; L61-Q66 PolarHBondContact O-NE2 3.28Å; L61-Q66 VanDerWaalsContact O-NE2 3.12Å; L61-I233 HydrophobicContact CD2-CD1 4.31Å; L61-V239 HydrophobicContact CD2-CG1 4.28Å; L61-V243 HydrophobicContact CD2-CG1 3.98Å; L61-L244 HydrophobicContact CD2-CD2 3.86Å; L61-N247 HydrophobicContact CD1-CB 3.96Å; L61-N247 HydrophobicContact CD2-CB 4.44Å; L61-N247 HydrophobicContact CG-CB 3.89Å; L61-L262 HydrophobicContact CD1-CD1 3.59Å; L61-L262 HydrophobicContact CD1-CD2 4.2Å
62	P	96.1	Very high	96.6	Very high	53 Å²	53	54.6 Å²	54.6	34%	0.344	27%	0.273	S	S	.	.	S	Bend	trans	-79.2	65.7	177.6	34.7	-35.3	0	0	0	110.6	I233 D237 V239	P62-I233 HydrophobicContact CG-CG2 4.13Å; P62-D237 HydrophobicContact CG-CB 3.87Å; P62-V239 HydrophobicContact CG-CG2 3.56Å
63	V	93.8	Very high	96.6	Very high	31 Å²	31	55.9 Å²	55.9	19%	0.188	28%	0.28	C	S	.	.			trans	-123.2	154	174.4	-64.3	0	0	0	0	109.5	L61 Q66 V231 I233	L61-V63 HydrophobicContact CB-CG2 4.17Å; L61-V63 PolarHBondContact O-N 2.94Å; V63-Q66 HydrophobicContact CG2-CG 4.14Å; V63-Q66 WeakPolarHBondContact O-CG 3.31Å; V63-Q66 PolarHBondContact O-NE2 2.97Å; V63-V231 HydrophobicContact CG1-CG1 4.12Å; V63-I233 HydrophobicContact CG1-CG1 3.66Å
64	E	87.1	Confident	96.6	Very high	196 Å²	196	58.9 Å²	58.9	92%	0.916	30%	0.296	S	S	*	.	S	Bend	trans	-63.6	-48.1	178.8	-65.8	-173.5	168.7	0	0	111.6	Q66	E64-Q66 PolarHBondContact O-N 3.47Å
65	E	90.3	Very high	96.5	Very high	180 Å²	180	64.1 Å²	64.1	84%	0.841	32%	0.32	S	S	*	.	S	Bend	trans	-90.6	85	-179.7	-67.6	-167.9	173.2	0	0	112.1
66	Q	94.3	Very high	96.5	Very high	60 Å²	60	67.6 Å²	67.6	28%	0.28	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-87.1	150	170.6	-63.1	175.1	23.4	0	0	112.1	L61 V63 E64 K109	L61-Q66 PolarHBondContact O-NE2 3.28Å; L61-Q66 VanDerWaalsContact O-NE2 3.12Å; V63-Q66 HydrophobicContact CG2-CG 4.14Å; V63-Q66 WeakPolarHBondContact O-CG 3.31Å; V63-Q66 PolarHBondContact O-NE2 2.97Å; E64-Q66 PolarHBondContact O-N 3.47Å; Q66-K109 HydrophobicContact CB-CB 4.34Å; Q66-K109 HydrophobicContact CB-CD 3.98Å; Q66-K109 WeakPolarHBondContact O-CD 3.2Å; Q66-K109 PolarHBondContact O-NZ 3.21Å
67	V	95.9	Very high	96.5	Very high	22 Å²	22	68.5 Å²	68.5	13%	0.133	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-67.6	153.7	168.2	-59.2	0	0	0	0	111.1	E251 L256	V67-E251 HydrophobicContact CG1-CG 4.35Å; V67-E251 HydrophobicContact CG2-CG 3.78Å; V67-L256 WeakPolarHBondContact CG1-O 3.47Å
68	E	97.6	Very high	96.3	Very high	123 Å²	123	73 Å²	73	58%	0.575	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-93.5	123.4	177	-64.4	-175.5	176	0	0	111	K109	E68-K109 HydrophobicContact CG-CD 4.06Å; E68-K109 HydrophobicContact CG-CG 4.11Å
69	W	98.4	Very high	96.2	Very high	6 Å²	6	74.1 Å²	74.1	2%	0.023	38%	0.377	C	S	.	.			trans	-96.9	91.1	171.2	-69.8	93	0	0	0	108.8	P57 L73 L108 K109 G110 M112 A250 E251 H254 L256	P57-W69 HydrophobicContact CG-CZ2 4.09Å; W69-L73 HydrophobicContact CE3-CD1 3.84Å; W69-L73 HydrophobicContact CZ3-CD1 4.21Å; W69-L108 HydrophobicContact CB-CB 4.14Å; W69-L108 HydrophobicContact CB-CD1 4.18Å; W69-L108 HydrophobicContact CD2-CD1 4.31Å; W69-L108 HydrophobicContact CG-CB 4.28Å; W69-L108 HydrophobicContact CG-CD1 3.79Å; W69-K109 PolarHBondContact N-O 3.24Å; W69-G110 CarbonylContact O-C 3.21Å; W69-G110 VanDerWaalsContact O-C 3.26Å; W69-M112 HydrophobicContact CB-CB 3.95Å; W69-M112 HydrophobicContact CB-CE 4.18Å; W69-M112 HydrophobicContact CD2-CE 4.25Å; W69-M112 HydrophobicContact CE3-CE 3.51Å; W69-M112 HydrophobicContact CZ3-CE 4.27Å; W69-M112 WeakPolarHBondContact O-CB 2.92Å; W69-M112 PolarHBondContact O-N 2.77Å; W69-A250 HydrophobicContact CH2-CB 3.72Å; W69-A250 HydrophobicContact CZ2-CB 3.88Å; W69-E251 HydrophobicContact CZ2-CG 4.16Å; W69-H254 AromaticContact CH2-CE1 3.89Å; W69-H254 AromaticContact CH2-ND1 3.45Å; W69-H254 WeakPolarHBondContact CH2-ND1 3.21Å; W69-H254 AromaticContact CZ3-CE1 3.69Å; W69-H254 AromaticContact CZ3-CG 3.87Å; W69-H254 AromaticContact CZ3-ND1 3.54Å; W69-L256 HydrophobicContact CD2-CD1 4.37Å; W69-L256 HydrophobicContact CE3-CD1 4.2Å; W69-L256 HydrophobicContact CH2-CD1 4.27Å; W69-L256 HydrophobicContact CZ2-CD1 4.39Å; W69-L256 HydrophobicContact CZ3-CD1 4.17Å
70	N	97.8	Very high	96.2	Very high	64 Å²	64	67.8 Å²	67.8	34%	0.342	35%	0.35	S	S	.	.			trans	-75	130.4	-179.7	-177.2	-16.7	0	0	0	110.9	E72 L73	N70-E72 PolarHBondContact ND2-OE1 2.88Å; N70-E72 VanDerWaalsContact ND2-OE1 3.11Å; N70-E72 PolarHBondContact O-N 3.5Å; N70-E72 WeakPolarHBondContact OD1-CG 3.17Å; N70-E72 PolarHBondContact OD1-N 3.49Å; N70-L73 VanDerWaalsContact O-CB 3.31Å; N70-L73 WeakPolarHBondContact O-CB 3.21Å; N70-L73 WeakPolarHBondContact O-CG 3.32Å; N70-L73 PolarHBondContact O-N 3.25Å
71	P	98.1	Very high	96.1	Very high	58 Å²	58	71.3 Å²	71.3	38%	0.377	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-51.6	-20.8	172.2	-30	35.9	0	0	0	116.3	L73 L74 G110	P71-L73 PolarHBondContact O-N 2.97Å; P71-L73 VanDerWaalsContact O-N 3.11Å; P71-L74 VanDerWaalsContact O-CB 3.26Å; P71-L74 WeakPolarHBondContact O-CB 3.17Å; P71-L74 PolarHBondContact O-N 3.01Å; P71-G110 WeakPolarHBondContact CD-O 3.46Å
72	E	97.9	Very high	95.9	Very high	111 Å²	111	72 Å²	72	52%	0.519	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-57.4	-20.3	169.3	-72.3	171	-149.1	0	0	113.3	N70 L74 E75 K119	N70-E72 PolarHBondContact ND2-OE1 2.88Å; N70-E72 VanDerWaalsContact ND2-OE1 3.11Å; N70-E72 PolarHBondContact O-N 3.5Å; N70-E72 WeakPolarHBondContact OD1-CG 3.17Å; N70-E72 PolarHBondContact OD1-N 3.49Å; E72-L74 PolarHBondContact O-N 3.32Å; E72-E75 VanDerWaalsContact O-CG 3.31Å; E72-E75 WeakPolarHBondContact O-CG 3.42Å; E72-E75 PolarHBondContact O-N 2.89Å; E72-K119 PolarHBondContact O-NZ 3.48Å
73	L	98.5	Very high	95.7	Very high	30 Å²	30	76.7 Å²	76.7	16%	0.157	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-68.8	-12.8	171.4	-68.3	174	0	0	0	112.7	W69 N70 P71 M112 T118 K119 L256	W69-L73 HydrophobicContact CE3-CD1 3.84Å; W69-L73 HydrophobicContact CZ3-CD1 4.21Å; N70-L73 VanDerWaalsContact O-CB 3.31Å; N70-L73 WeakPolarHBondContact O-CB 3.21Å; N70-L73 WeakPolarHBondContact O-CG 3.32Å; N70-L73 PolarHBondContact O-N 3.25Å; P71-L73 PolarHBondContact O-N 2.97Å; P71-L73 VanDerWaalsContact O-N 3.11Å; L73-M112 HydrophobicContact CB-SD 4.05Å; L73-T118 HydrophobicContact CB-CG2 4.06Å; L73-T118 CarbonylContact O-C 3.58Å; L73-T118 WeakPolarHBondContact O-CA 3.49Å; L73-T118 WeakPolarHBondContact O-CB 3.35Å; L73-K119 PolarHBondContact O-N 3.35Å; L73-L256 HydrophobicContact CD1-CD1 4.41Å
74	L	98.5	Very high	95.8	Very high	63 Å²	63	78 Å²	78	33%	0.33	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-91.8	-3.9	177.7	-56.4	178.7	0	0	0	113.4	P71 E72 I76 M112 Q116 L117	P71-L74 VanDerWaalsContact O-CB 3.26Å; P71-L74 WeakPolarHBondContact O-CB 3.17Å; P71-L74 PolarHBondContact O-N 3.01Å; E72-L74 PolarHBondContact O-N 3.32Å; L74-I76 PolarHBondContact O-N 3.01Å; L74-M112 HydrophobicContact CD1-CG 4.01Å; L74-M112 HydrophobicContact CD1-SD 4.24Å; L74-M112 HydrophobicContact CD2-CG 4.15Å; L74-M112 HydrophobicContact CD2-SD 3.59Å; L74-M112 VanDerWaalsContact CD2-SD 3.59Å; L74-M112 HydrophobicContact CG-CG 4.12Å; L74-M112 HydrophobicContact CG-SD 3.68Å; L74-Q116 HydrophobicContact CD2-CB 3.82Å; L74-L117 WeakPolarHBondContact CD2-O 3.47Å
75	E	98.4	Very high	96.3	Very high	110 Å²	110	71.7 Å²	71.7	51%	0.514	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-56.7	124.6	176.6	-70.1	172.8	164.2	0	0	111	E72 P77 K119	E72-E75 VanDerWaalsContact O-CG 3.31Å; E72-E75 WeakPolarHBondContact O-CG 3.42Å; E72-E75 PolarHBondContact O-N 2.89Å; E75-P77 VanDerWaalsContact O-CD 3.27Å; E75-P77 WeakPolarHBondContact O-CD 3.31Å; E75-K119 HydrophobicContact CB-CD 4.41Å; E75-K119 VanDerWaalsContact O-CB 3.31Å; E75-K119 WeakPolarHBondContact O-CB 3.29Å; E75-K119 IonicContact OE2-NZ 2.87Å; E75-K119 PolarHBondContact OE2-NZ 3.36Å
76	I	98.2	Very high	96.7	Very high	81 Å²	81	64.4 Å²	64.4	42%	0.415	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-78.3	117	-178	-59.9	173.6	0	0	0	108.9	L74 T80 Q81 M122	L74-I76 PolarHBondContact O-N 3.01Å; I76-T80 WeakPolarHBondContact CG2-OG1 3.39Å; I76-Q81 HydrophobicContact CG2-CG 4.04Å; I76-M122 HydrophobicContact CB-SD 4.4Å; I76-M122 HydrophobicContact CG1-CE 4.15Å; I76-M122 HydrophobicContact CG1-SD 4.24Å; I76-M122 HydrophobicContact CG2-SD 4.39Å
77	P	98	Very high	96.9	Very high	19 Å²	19	62.6 Å²	62.6	12%	0.123	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-61	132.9	174.4	-19.1	31.4	0	0	0	109.9	E75 Q79 T80 K119 M122	E75-P77 VanDerWaalsContact O-CD 3.27Å; E75-P77 WeakPolarHBondContact O-CD 3.31Å; P77-Q79 PolarHBondContact O-N 3.22Å; P77-T80 HydrophobicContact CB-CG2 4.12Å; P77-T80 HydrophobicContact CG-CG2 4.32Å; P77-T80 PolarHBondContact O-N 3.38Å; P77-T80 PolarHBondContact O-OG1 3.32Å; P77-K119 HydrophobicContact CG-CB 4.09Å; P77-M122 VanDerWaalsContact CD-SD 3.52Å; P77-M122 HydrophobicContact CG-CB 4.35Å
78	P	96.1	Very high	97	Very high	94 Å²	94	63.6 Å²	63.6	61%	0.61	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-53.9	-40.6	-174.4	-28.4	35.2	0	0	0	113.2	T80 Q81	P78-T80 PolarHBondContact O-N 3.33Å; P78-Q81 WeakPolarHBondContact O-CG 3.31Å; P78-Q81 PolarHBondContact O-N 2.89Å; P78-Q81 VanDerWaalsContact O-N 3.14Å
79	Q	95.5	Very high	97	Very high	74 Å²	74	60.7 Å²	60.7	35%	0.346	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-68.2	10.8	174.4	77.1	-77.1	10.2	0	0	114.1	P77 F126 H176	P77-Q79 PolarHBondContact O-N 3.22Å; Q79-F126 HydrophobicContact CB-CE2 4.44Å; Q79-F126 HydrophobicContact CB-CZ 4.28Å; Q79-F126 HydrophobicContact CG-CD1 4.44Å; Q79-F126 HydrophobicContact CG-CE1 4.2Å; Q79-F126 HydrophobicContact CG-CE2 4.45Å; Q79-F126 HydrophobicContact CG-CZ 4.22Å; Q79-F126 WeakPolarHBondContact O-CD2 3.27Å; Q79-F126 WeakPolarHBondContact O-CE2 3.31Å; Q79-H176 VanDerWaalsContact CA-NE2 3.3Å; Q79-H176 WeakPolarHBondContact CA-NE2 3.33Å; Q79-H176 PolarHBondContact O-CE1 3.2Å; Q79-H176 PolarHBondContact O-NE2 3.07Å
80	T	96	Very high	96.9	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-116.6	-8.3	170.1	69.6	0	0	0	0	112.8	I76 P77 P78 F82 M122 F126 R167 C168 A171 H176	I76-T80 WeakPolarHBondContact CG2-OG1 3.39Å; P77-T80 HydrophobicContact CB-CG2 4.12Å; P77-T80 HydrophobicContact CG-CG2 4.32Å; P77-T80 PolarHBondContact O-N 3.38Å; P77-T80 PolarHBondContact O-OG1 3.32Å; P78-T80 PolarHBondContact O-N 3.33Å; T80-F82 PolarHBondContact O-N 2.95Å; T80-M122 HydrophobicContact CG2-CB 4.34Å; T80-F126 HydrophobicContact CG2-CB 4Å; T80-F126 HydrophobicContact CG2-CD2 4.19Å; T80-F126 HydrophobicContact CG2-CG 4.27Å; T80-R167 PolarHBondContact O-NH1 3.39Å; T80-R167 PolarHBondContact OG1-NH1 3.4Å; T80-C168 HydrophobicContact CG2-CB 4.41Å; T80-A171 WeakPolarHBondContact O-CB 3.29Å; T80-H176 PolarHBondContact N-NE2 3.15Å
81	Q	94.1	Very high	96.8	Very high	118 Å²	118	64.4 Å²	64.4	55%	0.551	36%	0.359	S	S	*	.			trans	-60.1	124.7	-177.1	-67.2	-176.6	-3.2	0	0	110.7	I76 P78 H176	I76-Q81 HydrophobicContact CG2-CG 4.04Å; P78-Q81 WeakPolarHBondContact O-CG 3.31Å; P78-Q81 PolarHBondContact O-N 2.89Å; P78-Q81 VanDerWaalsContact O-N 3.14Å; Q81-H176 PolarHBondContact O-CD2 2.9Å; Q81-H176 PolarHBondContact O-NE2 2.73Å
82	F	92.7	Very high	96.8	Very high	19 Å²	19	62.9 Å²	62.9	8%	0.083	35%	0.353	C	S	.	.			trans	-154.3	129.3	-179.8	-156.9	-78.5	0	0	0	108.4	T80 R167 L170 A171 F174 V181	T80-F82 PolarHBondContact O-N 2.95Å; F82-R167 HydrophobicContact CB-CG 3.86Å; F82-R167 WeakPolarHBondContact O-CD 3.45Å; F82-R167 WeakPolarHBondContact O-CG 3.41Å; F82-L170 HydrophobicContact CD1-CB 4.44Å; F82-A171 HydrophobicContact CB-CB 4.07Å; F82-A171 HydrophobicContact CD2-CB 4.13Å; F82-A171 HydrophobicContact CG-CB 4.49Å; F82-F174 HydrophobicContact CE2-CB 4.03Å; F82-F174 HydrophobicContact CZ-CB 4.29Å; F82-V181 HydrophobicContact CD1-CG2 4.38Å; F82-V181 HydrophobicContact CE1-CB 4.46Å; F82-V181 HydrophobicContact CE1-CG2 3.54Å; F82-V181 HydrophobicContact CZ-CG2 4.29Å
83	E	93.4	Very high	96.8	Very high	152 Å²	152	62.9 Å²	62.9	71%	0.71	36%	0.363	S	S	*	.			trans	-75.9	132.4	-178.3	-69.2	-172.3	169.9	0	0	110.9	V181	E83-V181 PolarHBondContact O-N 3.28Å
84	Y	95.5	Very high	96.8	Very high	59 Å²	59	65.7 Å²	65.7	23%	0.231	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	158.2	176.3	75.5	-82.2	0	0	0	111.8	V86 L163 E164 R167 V181 I183	Y84-V86 HydrophobicContact CD2-CG2 3.8Å; Y84-V86 HydrophobicContact CE2-CG2 3.44Å; Y84-V86 VanDerWaalsContact CE2-CG2 3.44Å; Y84-L163 HydrophobicContact CE2-CB 4.35Å; Y84-E164 PolarHBondContact OH-OE1 2.89Å; Y84-E164 VanDerWaalsContact OH-OE1 3.09Å; Y84-R167 HydrophobicContact CD1-CB 4.08Å; Y84-R167 HydrophobicContact CD1-CG 4.04Å; Y84-R167 HydrophobicContact CE1-CB 4.1Å; Y84-R167 HydrophobicContact CE1-CG 4.23Å; Y84-V181 CarbonylContact C-O 3.56Å; Y84-V181 WeakPolarHBondContact CA-O 3.4Å; Y84-V181 WeakPolarHBondContact CB-O 3.48Å; Y84-I183 HydrophobicContact CD2-CD1 3.46Å; Y84-I183 VanDerWaalsContact CD2-CD1 3.46Å; Y84-I183 HydrophobicContact CD2-CG1 4Å; Y84-I183 HydrophobicContact CE2-CD1 3.93Å; Y84-I183 HydrophobicContact CG-CD1 3.96Å
85	T	97.1	Very high	96.7	Very high	63 Å²	63	63.5 Å²	63.5	39%	0.387	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	157.9	170.8	50.5	0	0	0	0	109.3	V181 T182 I183	T85-V181 PolarHBondContact N-O 2.94Å; T85-V181 PolarHBondContact OG1-O 3.1Å; T85-T182 WeakPolarHBondContact O-CA 3.46Å; T85-T182 PolarHBondContact OG1-OG1 3.34Å; T85-T182 VanDerWaalsContact OG1-OG1 3.12Å; T85-I183 PolarHBondContact O-N 3.04Å
86	V	98.4	Very high	96.7	Very high	26 Å²	26	64.8 Å²	64.8	16%	0.158	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	130.9	178.4	-172	0	0	0	0	109.5	Y84 K94 L163 I183 T185	Y84-V86 HydrophobicContact CD2-CG2 3.8Å; Y84-V86 HydrophobicContact CE2-CG2 3.44Å; Y84-V86 VanDerWaalsContact CE2-CG2 3.44Å; V86-K94 HydrophobicContact CB-CB 4.16Å; V86-K94 HydrophobicContact CB-CD 3.91Å; V86-K94 HydrophobicContact CB-CG 4.06Å; V86-K94 HydrophobicContact CG1-CB 4.09Å; V86-K94 HydrophobicContact CG1-CD 3.88Å; V86-K94 HydrophobicContact CG1-CG 3.67Å; V86-K94 HydrophobicContact CG2-CD 4.4Å; V86-L163 HydrophobicContact CG1-CD2 4.36Å; V86-L163 HydrophobicContact CG2-CD1 4.23Å; V86-L163 HydrophobicContact CG2-CD2 4.24Å; V86-I183 WeakPolarHBondContact CA-O 3.38Å; V86-T185 HydrophobicContact CG1-CG2 3.62Å
87	T	98.6	Very high	96.7	Very high	22 Å²	22	61.2 Å²	61.2	14%	0.135	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	165.1	175.7	65.1	0	0	0	0	110.5	G92 T182 I183 T185	T87-G92 WeakPolarHBondContact CA-O 3.45Å; T87-G92 WeakPolarHBondContact CB-O 3.42Å; T87-T182 HydrophobicContact CG2-CG2 3.69Å; T87-T182 WeakPolarHBondContact OG1-CG2 3.28Å; T87-I183 PolarHBondContact N-O 3Å; T87-I183 VanDerWaalsContact N-O 3.1Å; T87-T185 PolarHBondContact O-N 3.1Å; T87-T185 PolarHBondContact O-OG1 2.85Å
88	N	98.4	Very high	96.7	Very high	43 Å²	43	62.7 Å²	62.7	23%	0.23	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	174.8	160	71.9	22.5	0	0	0	110.7	A90 G91 G92 P93 P95 T185	N88-A90 PolarHBondContact O-N 2.81Å; N88-A90 WeakPolarHBondContact OD1-CA 3.35Å; N88-A90 WeakPolarHBondContact OD1-CB 3.42Å; N88-A90 PolarHBondContact OD1-N 2.82Å; N88-G91 PolarHBondContact O-N 2.65Å; N88-G91 PolarHBondContact OD1-N 3.23Å; N88-G91 VanDerWaalsContact OD1-N 3.1Å; N88-G92 PolarHBondContact N-O 2.9Å; N88-G92 WeakPolarHBondContact OD1-CA 3.45Å; N88-G92 PolarHBondContact OD1-N 3.02Å; N88-P93 PolarHBondContact N-O 3.26Å; N88-P95 HydrophobicContact CB-CG 3.97Å; N88-T185 CarbonylContact C-O 3.49Å; N88-T185 VanDerWaalsContact C-O 3.29Å; N88-T185 WeakPolarHBondContact CA-O 3.44Å
89	L	97.3	Very high	96.8	Very high	63 Å²	63	61 Å²	61	33%	0.33	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-22.1	-179.8	-59.5	-172.6	0	0	0	114	R155 Q184 T185 D186	L89-R155 HydrophobicContact CD2-CG 4.39Å; L89-Q184 HydrophobicContact CD2-CB 4.05Å; L89-T185 WeakPolarHBondContact CD2-O 3.29Å; L89-T185 WeakPolarHBondContact CG-O 3.49Å; L89-T185 PolarHBondContact N-O 3.18Å; L89-D186 HydrophobicContact CD1-CB 3.96Å; L89-D186 VanDerWaalsContact CD1-OD2 3.3Å; L89-D186 WeakPolarHBondContact CD1-OD2 3.42Å; L89-D186 HydrophobicContact CD2-CB 4.45Å; L89-D186 HydrophobicContact CG-CB 4.01Å
90	A	96.9	Very high	96.8	Very high	98 Å²	98	58.4 Å²	58.4	81%	0.81	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	1.1	177.5	0	0	0	0	0	113.4	N88 G92	N88-A90 PolarHBondContact O-N 2.81Å; N88-A90 WeakPolarHBondContact OD1-CA 3.35Å; N88-A90 WeakPolarHBondContact OD1-CB 3.42Å; N88-A90 PolarHBondContact OD1-N 2.82Å; A90-G92 VanDerWaalsContact C-N 3.34Å
91	G	95.8	Very high	96.9	Very high	50 Å²	50	60.7 Å²	60.7	52%	0.515	35%	0.347	S	S	.	.	S	Bend	trans	82.3	8.7	-176.4	0	0	0	0	0	114.6	N88	N88-G91 PolarHBondContact O-N 2.65Å; N88-G91 PolarHBondContact OD1-N 3.23Å; N88-G91 VanDerWaalsContact OD1-N 3.1Å
92	G	97.5	Very high	97.1	Very high	25 Å²	25	59.8 Å²	59.8	26%	0.258	34%	0.343	S	S	.	.			trans	-83	-168.7	173	0	0	0	0	0	113.4	T87 N88 A90	T87-G92 WeakPolarHBondContact CA-O 3.45Å; T87-G92 WeakPolarHBondContact CB-O 3.42Å; N88-G92 PolarHBondContact N-O 2.9Å; N88-G92 WeakPolarHBondContact OD1-CA 3.45Å; N88-G92 PolarHBondContact OD1-N 3.02Å; A90-G92 VanDerWaalsContact C-N 3.34Å
93	P	98.1	Very high	97.3	Very high	111 Å²	111	60.4 Å²	60.4	72%	0.721	35%	0.345	S	S	*	.	B	Isolated β-bridge	trans	-56.9	151.5	-176.8	-24.5	34.1	0	0	0	114.1	N88	N88-P93 PolarHBondContact N-O 3.26Å
94	K	98.2	Very high	97.4	Very high	89 Å²	89	57.5 Å²	57.5	39%	0.387	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-55.7	126.7	171	179.4	-179.2	-175.5	-76.9	0	109.9	V86 N158	V86-K94 HydrophobicContact CB-CB 4.16Å; V86-K94 HydrophobicContact CB-CD 3.91Å; V86-K94 HydrophobicContact CB-CG 4.06Å; V86-K94 HydrophobicContact CG1-CB 4.09Å; V86-K94 HydrophobicContact CG1-CD 3.88Å; V86-K94 HydrophobicContact CG1-CG 3.67Å; V86-K94 HydrophobicContact CG2-CD 4.4Å; K94-N158 WeakPolarHBondContact CE-OD1 3.33Å; K94-N158 PolarHBondContact NZ-OD1 3.08Å
95	P	97.8	Very high	97.5	Very high	18 Å²	18	61.4 Å²	61.4	12%	0.117	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-62.6	160.6	174.7	-20.7	32.5	0	0	0	112.8	N88 N158 T185 E187	N88-P95 HydrophobicContact CB-CG 3.97Å; P95-N158 VanDerWaalsContact C-ND2 3.34Å; P95-N158 PolarHBondContact O-ND2 2.9Å; P95-T185 VanDerWaalsContact CD-OG1 3.3Å; P95-T185 WeakPolarHBondContact CD-OG1 3.18Å; P95-E187 HydrophobicContact CB-CG 4.06Å; P95-E187 HydrophobicContact CG-CG 4.35Å
96	H	97.8	Very high	97.6	Very high	136 Å²	136	60.6 Å²	60.6	63%	0.63	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-64.7	141.7	168	175.4	71.5	0	0	0	110.9	P98 S101 N158	H96-P98 WeakPolarHBondContact O-CD 3.27Å; H96-S101 PolarHBondContact CE1-OG 3.32Å; H96-S101 VanDerWaalsContact CE1-OG 3.28Å; H96-N158 PolarHBondContact O-ND2 3.23Å
97	S	98.2	Very high	97.5	Very high	6 Å²	6	63.4 Å²	63.4	4%	0.042	36%	0.361	C	S	.	.			trans	-104.8	104.8	173.6	-176.1	0	0	0	0	110.7	Y99 D100 S101 N158	S97-Y99 PolarHBondContact O-N 2.92Å; S97-D100 WeakPolarHBondContact CB-OD2 3.32Å; S97-D100 VanDerWaalsContact OG-CG 3.27Å; S97-D100 PolarHBondContact OG-N 2.9Å; S97-D100 PolarHBondContact OG-OD2 3.36Å; S97-S101 PolarHBondContact O-N 3.2Å; S97-S101 PolarHBondContact O-OG 2.91Å; S97-S101 VanDerWaalsContact O-OG 3.05Å; S97-N158 WeakPolarHBondContact CB-O 3.26Å; S97-N158 PolarHBondContact OG-O 3.35Å
98	P	97.6	Very high	97.5	Very high	50 Å²	50	62.6 Å²	62.6	33%	0.325	36%	0.356	S	S	.	.	H	α-helix	trans	-66.2	-32.1	173.6	26.6	-33.1	0	0	0	111.1	H96 S101 E102 A188	H96-P98 WeakPolarHBondContact O-CD 3.27Å; P98-S101 WeakPolarHBondContact O-CB 3.49Å; P98-S101 PolarHBondContact O-N 3.05Å; P98-E102 WeakPolarHBondContact O-CG 3.03Å; P98-E102 PolarHBondContact O-N 3.12Å; P98-A188 HydrophobicContact CG-CB 3.66Å
99	Y	97.5	Very high	97.5	Very high	60 Å²	60	64.9 Å²	64.9	24%	0.235	36%	0.364	C	S	.	.	H	α-helix	trans	-66.3	-46.7	-179.8	-67.6	-75.9	0	0	0	112.6	S97 S101 E102 Y103 I159 A188 Y194	S97-Y99 PolarHBondContact O-N 2.92Å; Y99-S101 PolarHBondContact O-N 3.11Å; Y99-E102 PolarHBondContact O-N 3.08Å; Y99-E102 VanDerWaalsContact O-N 3.14Å; Y99-Y103 WeakPolarHBondContact O-CD2 3.41Å; Y99-Y103 VanDerWaalsContact O-CG 3.23Å; Y99-Y103 PolarHBondContact O-N 2.87Å; Y99-I159 HydrophobicContact CD1-CD1 4.37Å; Y99-I159 HydrophobicContact CD2-CD1 3.79Å; Y99-I159 HydrophobicContact CD2-CG1 4.06Å; Y99-I159 HydrophobicContact CE2-CD1 4.44Å; Y99-I159 HydrophobicContact CG-CD1 3.75Å; Y99-I159 HydrophobicContact CG-CG1 4.21Å; Y99-A188 HydrophobicContact CE2-CB 4.19Å; Y99-Y194 HydrophobicContact CE2-CE1 4.4Å
100	D	97.1	Very high	97.5	Very high	19 Å²	19	63.8 Å²	63.8	10%	0.102	37%	0.368	C	S	.	.	H	α-helix	trans	-59.6	-38.9	176.7	-64.5	-26	0	0	0	110.3	S97 Y103 H104 F160	S97-D100 WeakPolarHBondContact CB-OD2 3.32Å; S97-D100 VanDerWaalsContact OG-CG 3.27Å; S97-D100 PolarHBondContact OG-N 2.9Å; S97-D100 PolarHBondContact OG-OD2 3.36Å; D100-Y103 PolarHBondContact O-N 2.93Å; D100-H104 VanDerWaalsContact O-CG 3.3Å; D100-H104 PolarHBondContact O-N 2.68Å; D100-H104 VanDerWaalsContact O-N 3.1Å; D100-H104 PolarHBondContact O-ND1 3.26Å; D100-H104 VanDerWaalsContact O-ND1 3.13Å; D100-F160 PolarHBondContact OD1-N 2.88Å; D100-F160 PolarHBondContact OD2-N 2.83Å
101	S	97.4	Very high	97.5	Very high	47 Å²	47	61.2 Å²	61.2	33%	0.329	35%	0.351	S	S	.	.	H	α-helix	trans	-63.3	-41.6	175.6	-53.8	0	0	0	0	112.7	H96 S97 P98 Y99	H96-S101 PolarHBondContact CE1-OG 3.32Å; H96-S101 VanDerWaalsContact CE1-OG 3.28Å; S97-S101 PolarHBondContact O-N 3.2Å; S97-S101 PolarHBondContact O-OG 2.91Å; S97-S101 VanDerWaalsContact O-OG 3.05Å; P98-S101 WeakPolarHBondContact O-CB 3.49Å; P98-S101 PolarHBondContact O-N 3.05Å; Y99-S101 PolarHBondContact O-N 3.11Å
102	E	97.3	Very high	97.6	Very high	100 Å²	100	58.9 Å²	58.9	47%	0.467	33%	0.327	S	S	.	.	H	α-helix	trans	-68	-40.3	175.5	-68.7	-49.3	127.9	0	0	112.4	P98 Y99 H104 K105	P98-E102 WeakPolarHBondContact O-CG 3.03Å; P98-E102 PolarHBondContact O-N 3.12Å; Y99-E102 PolarHBondContact O-N 3.08Å; Y99-E102 VanDerWaalsContact O-N 3.14Å; E102-H104 VanDerWaalsContact C-N 3.34Å; E102-H104 PolarHBondContact O-N 3.31Å; E102-K105 WeakPolarHBondContact O-CB 3.27Å; E102-K105 PolarHBondContact O-N 3.43Å; E102-K105 IonicContact OE1-NZ 3.24Å; E102-K105 PolarHBondContact OE1-NZ 2.84Å; E102-K105 IonicContact OE2-NZ 3.53Å; E102-K105 PolarHBondContact OE2-NZ 3.22Å
103	Y	96.9	Very high	97.7	Very high	32 Å²	32	61.7 Å²	61.7	13%	0.125	33%	0.332	C	S	.	.	H	α-helix	trans	-66.3	-35.8	-179.6	-63.2	-40.5	0	0	0	112.6	L58 Y99 D100 K105 V106 A114 I159 R161	L58-Y103 HydrophobicContact CD2-CD1 4.29Å; L58-Y103 HydrophobicContact CD2-CE1 3.71Å; Y99-Y103 WeakPolarHBondContact O-CD2 3.41Å; Y99-Y103 VanDerWaalsContact O-CG 3.23Å; Y99-Y103 PolarHBondContact O-N 2.87Å; D100-Y103 PolarHBondContact O-N 2.93Å; Y103-K105 PolarHBondContact O-N 2.85Å; Y103-V106 PolarHBondContact O-N 3.02Å; Y103-V106 VanDerWaalsContact O-N 3.12Å; Y103-A114 WeakPolarHBondContact CB-O 3.4Å; Y103-I159 HydrophobicContact CE2-CG2 3.94Å; Y103-R161 PolarHBondContact OH-NH2 3.2Å
104	H	96.4	Very high	97.7	Very high	90 Å²	90	56.4 Å²	56.4	42%	0.417	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-14.3	175.4	-67.6	146.2	0	0	0	114.2	D100 E102 V106 F113	D100-H104 VanDerWaalsContact O-CG 3.3Å; D100-H104 PolarHBondContact O-N 2.68Å; D100-H104 VanDerWaalsContact O-N 3.1Å; D100-H104 PolarHBondContact O-ND1 3.26Å; D100-H104 VanDerWaalsContact O-ND1 3.13Å; E102-H104 VanDerWaalsContact C-N 3.34Å; E102-H104 PolarHBondContact O-N 3.31Å; H104-V106 PolarHBondContact O-N 3.31Å; H104-F113 AromaticContact CD2-CD2 3.43Å; H104-F113 VanDerWaalsContact CD2-CD2 3.43Å; H104-F113 WeakPolarHBondContact CD2-CD2 3.43Å; H104-F113 AromaticContact CD2-CE2 3.88Å; H104-F113 AromaticContact CD2-CG 3.74Å
105	K	97.9	Very high	97.7	Very high	142 Å²	142	52.2 Å²	52.2	62%	0.617	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-16.9	173	-60.8	176.5	-170.2	170.2	0	112.8	E102 Y103	E102-K105 WeakPolarHBondContact O-CB 3.27Å; E102-K105 PolarHBondContact O-N 3.43Å; E102-K105 IonicContact OE1-NZ 3.24Å; E102-K105 PolarHBondContact OE1-NZ 2.84Å; E102-K105 IonicContact OE2-NZ 3.53Å; E102-K105 PolarHBondContact OE2-NZ 3.22Å; Y103-K105 PolarHBondContact O-N 2.85Å
106	V	97.9	Very high	97.8	Very high	45 Å²	45	52 Å²	52	27%	0.273	28%	0.277	S	S	.	.			trans	-110.9	107.3	-177	-176.9	0	0	0	0	108.9	Y103 H104 L108 F113 A114	Y103-V106 PolarHBondContact O-N 3.02Å; Y103-V106 VanDerWaalsContact O-N 3.12Å; H104-V106 PolarHBondContact O-N 3.31Å; V106-L108 HydrophobicContact CG1-CD2 4.2Å; V106-F113 WeakPolarHBondContact O-CA 3.26Å; V106-A114 HydrophobicContact CB-CB 3.76Å; V106-A114 HydrophobicContact CG1-CB 3.89Å; V106-A114 PolarHBondContact O-N 2.84Å
107	T	98.2	Very high	97.8	Very high	85 Å²	85	45.7 Å²	45.7	52%	0.521	25%	0.248	S	C	.	.	B	Isolated β-bridge	trans	-96.6	122.2	169.8	-56.3	0	0	0	0	108.5
108	L	98.3	Very high	97.9	Very high	6 Å²	6	45.4 Å²	45.4	3%	0.031	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-79.5	159.1	177.9	-56.3	175.1	0	0	0	110.1	P57 P60 W69 V106 G110 G111 M112	P57-L108 HydrophobicContact CG-CD1 3.83Å; P57-L108 HydrophobicContact CG-CD2 4.36Å; P60-L108 HydrophobicContact CB-CD2 4.04Å; P60-L108 HydrophobicContact CG-CD2 4.06Å; W69-L108 HydrophobicContact CB-CB 4.14Å; W69-L108 HydrophobicContact CB-CD1 4.18Å; W69-L108 HydrophobicContact CD2-CD1 4.31Å; W69-L108 HydrophobicContact CG-CB 4.28Å; W69-L108 HydrophobicContact CG-CD1 3.79Å; V106-L108 HydrophobicContact CG1-CD2 4.2Å; L108-G110 PolarHBondContact O-N 3.2Å; L108-G111 PolarHBondContact O-N 2.71Å; L108-M112 WeakPolarHBondContact CB-O 3.25Å; L108-M112 PolarHBondContact N-O 2.74Å
109	K	97.9	Very high	97.9	Very high	91 Å²	91	46.2 Å²	46.2	40%	0.396	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	133.3	169.3	-170.4	-173.6	173	-178	0	109.3	Q66 E68 W69	Q66-K109 HydrophobicContact CB-CB 4.34Å; Q66-K109 HydrophobicContact CB-CD 3.98Å; Q66-K109 WeakPolarHBondContact O-CD 3.2Å; Q66-K109 PolarHBondContact O-NZ 3.21Å; E68-K109 HydrophobicContact CG-CD 4.06Å; E68-K109 HydrophobicContact CG-CG 4.11Å; W69-K109 PolarHBondContact N-O 3.24Å
110	G	97.1	Very high	98	Very high	40 Å²	40	45.6 Å²	45.6	41%	0.412	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.7	-14.7	-171.8	0	0	0	0	0	114.5	W69 P71 L108	W69-G110 CarbonylContact O-C 3.21Å; W69-G110 VanDerWaalsContact O-C 3.26Å; P71-G110 WeakPolarHBondContact CD-O 3.46Å; L108-G110 PolarHBondContact O-N 3.2Å
111	G	97.4	Very high	98.1	Very high	43 Å²	43	44.7 Å²	44.7	44%	0.443	24%	0.242	S	C	.	.	S	Bend	trans	100.2	-2.7	169.7	0	0	0	0	0	115.6	L108	L108-G111 PolarHBondContact O-N 2.71Å
112	M	98.1	Very high	98.2	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.01	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-80.7	143.3	176.5	-161.1	163.8	87.3	0	0	111.9	W69 L73 L74 L108 T118	W69-M112 HydrophobicContact CB-CB 3.95Å; W69-M112 HydrophobicContact CB-CE 4.18Å; W69-M112 HydrophobicContact CD2-CE 4.25Å; W69-M112 HydrophobicContact CE3-CE 3.51Å; W69-M112 HydrophobicContact CZ3-CE 4.27Å; W69-M112 WeakPolarHBondContact O-CB 2.92Å; W69-M112 PolarHBondContact O-N 2.77Å; L73-M112 HydrophobicContact CB-SD 4.05Å; L74-M112 HydrophobicContact CD1-CG 4.01Å; L74-M112 HydrophobicContact CD1-SD 4.24Å; L74-M112 HydrophobicContact CD2-CG 4.15Å; L74-M112 HydrophobicContact CD2-SD 3.59Å; L74-M112 VanDerWaalsContact CD2-SD 3.59Å; L74-M112 HydrophobicContact CG-CG 4.12Å; L74-M112 HydrophobicContact CG-SD 3.68Å; L108-M112 WeakPolarHBondContact CB-O 3.25Å; L108-M112 PolarHBondContact N-O 2.74Å; M112-T118 HydrophobicContact CE-CG2 3.89Å
113	F	98.6	Very high	98.2	Very high	83 Å²	83	41.5 Å²	41.5	36%	0.364	22%	0.222	S	C	.	.	B	Isolated β-bridge	trans	-69.8	157.4	172.8	-63.4	-54.5	0	0	0	112.2	S56 H104 V106 Q116	S56-F113 PolarHBondContact OG-O 2.54Å; H104-F113 AromaticContact CD2-CD2 3.43Å; H104-F113 VanDerWaalsContact CD2-CD2 3.43Å; H104-F113 WeakPolarHBondContact CD2-CD2 3.43Å; H104-F113 AromaticContact CD2-CE2 3.88Å; H104-F113 AromaticContact CD2-CG 3.74Å; V106-F113 WeakPolarHBondContact O-CA 3.26Å; F113-Q116 HydrophobicContact CB-CG 3.79Å; F113-Q116 WeakPolarHBondContact O-CG 3.23Å
114	A	98.6	Very high	98.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	151.9	173.7	0	0	0	0	0	112.2	P57 L58 Y103 V106 Q116	P57-A114 VanDerWaalsContact O-CA 3.31Å; P57-A114 WeakPolarHBondContact O-CA 3.42Å; P57-A114 WeakPolarHBondContact O-CB 3.42Å; L58-A114 WeakPolarHBondContact O-CB 3.43Å; Y103-A114 WeakPolarHBondContact CB-O 3.4Å; V106-A114 HydrophobicContact CB-CB 3.76Å; V106-A114 HydrophobicContact CG1-CB 3.89Å; V106-A114 PolarHBondContact O-N 2.84Å; A114-Q116 PolarHBondContact O-N 2.78Å; A114-Q116 VanDerWaalsContact O-N 3.13Å; A114-Q116 PolarHBondContact O-NE2 2.81Å
115	G	98.5	Very high	98.4	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.01	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	19.9	170	0	0	0	0	0	116.9	S56 P57 R161	S56-G115 WeakPolarHBondContact O-CA 3.45Å; S56-G115 PolarHBondContact O-N 3.39Å; S56-G115 PolarHBondContact OG-N 2.57Å; S56-G115 VanDerWaalsContact OG-N 3.12Å; P57-G115 PolarHBondContact O-N 2.92Å; G115-R161 WeakPolarHBondContact O-CD 3.41Å; G115-R161 PolarHBondContact O-NH1 3.38Å; G115-R161 VanDerWaalsContact O-NH1 3.07Å
116	Q	98.8	Very high	98.5	Very high	13 Å²	13	31.9 Å²	31.9	6%	0.061	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-87.9	134.6	-179	-57.8	-53.8	-50.2	0	0	111.2	R55 S56 L74 F113 A114	R55-Q116 CarbonylContact C-O 3.59Å; R55-Q116 WeakPolarHBondContact CA-O 3.31Å; R55-Q116 WeakPolarHBondContact CB-O 3.35Å; S56-Q116 PolarHBondContact N-O 2.94Å; S56-Q116 PolarHBondContact OG-N 2.93Å; L74-Q116 HydrophobicContact CD2-CB 3.82Å; F113-Q116 HydrophobicContact CB-CG 3.79Å; F113-Q116 WeakPolarHBondContact O-CG 3.23Å; A114-Q116 PolarHBondContact O-N 2.78Å; A114-Q116 VanDerWaalsContact O-N 3.13Å; A114-Q116 PolarHBondContact O-NE2 2.81Å
117	L	98.9	Very high	98.5	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.021	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-65.2	134.2	173.4	-170.9	75.8	0	0	0	109.6	A54 L74 M122 R161 E164 S165	A54-L117 WeakPolarHBondContact O-CD1 3.3Å; L74-L117 WeakPolarHBondContact CD2-O 3.47Å; L117-M122 HydrophobicContact CD2-CG 3.73Å; L117-M122 HydrophobicContact CG-CG 4.19Å; L117-R161 HydrophobicContact CB-CB 3.91Å; L117-E164 HydrophobicContact CD2-CB 3.56Å; L117-S165 WeakPolarHBondContact CD1-OG 3.5Å
118	T	98.9	Very high	98.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-103.9	171.6	178.9	68.9	0	0	0	0	111.6	A54 L73 M112 V120 G121 M122 H254	A54-T118 PolarHBondContact O-N 2.91Å; A54-T118 VanDerWaalsContact O-N 3.13Å; A54-T118 PolarHBondContact O-OG1 3.04Å; L73-T118 HydrophobicContact CB-CG2 4.06Å; L73-T118 CarbonylContact O-C 3.58Å; L73-T118 WeakPolarHBondContact O-CA 3.49Å; L73-T118 WeakPolarHBondContact O-CB 3.35Å; M112-T118 HydrophobicContact CE-CG2 3.89Å; T118-V120 PolarHBondContact O-N 3.04Å; T118-V120 PolarHBondContact OG1-N 3.02Å; T118-G121 CarbonylContact O-C 3.52Å; T118-G121 WeakPolarHBondContact O-CA 3.35Å; T118-G121 PolarHBondContact O-N 3.48Å; T118-G121 PolarHBondContact OG1-N 3.3Å; T118-M122 WeakPolarHBondContact O-CG 3.47Å; T118-M122 PolarHBondContact O-N 3.37Å; T118-H254 WeakPolarHBondContact CB-NE2 3.2Å; T118-H254 VanDerWaalsContact CG2-NE2 3.29Å; T118-H254 WeakPolarHBondContact CG2-NE2 3.39Å; T118-H254 PolarHBondContact OG1-NE2 2.98Å
119	K	98.8	Very high	98.6	Very high	68 Å²	68	28 Å²	28	30%	0.296	16%	0.161	S	C	.	.	H	α-helix	trans	-57.6	-30.2	172.8	68.7	-170.4	178.3	-160.4	0	113.7	E72 L73 E75 P77 Q123	E72-K119 PolarHBondContact O-NZ 3.48Å; L73-K119 PolarHBondContact O-N 3.35Å; E75-K119 HydrophobicContact CB-CD 4.41Å; E75-K119 VanDerWaalsContact O-CB 3.31Å; E75-K119 WeakPolarHBondContact O-CB 3.29Å; E75-K119 IonicContact OE2-NZ 2.87Å; E75-K119 PolarHBondContact OE2-NZ 3.36Å; P77-K119 HydrophobicContact CG-CB 4.09Å; K119-Q123 WeakPolarHBondContact O-CB 3.4Å; K119-Q123 PolarHBondContact O-N 2.91Å
120	V	98.9	Very high	98.6	Very high	46 Å²	46	27.7 Å²	27.7	28%	0.279	16%	0.161	S	C	.	.	H	α-helix	trans	-63.7	-48.2	170.9	179.3	0	0	0	0	109.9	A54 T118 Q123 Q124 V253	A54-V120 HydrophobicContact CB-CB 4.31Å; A54-V120 HydrophobicContact CB-CG1 4.02Å; T118-V120 PolarHBondContact O-N 3.04Å; T118-V120 PolarHBondContact OG1-N 3.02Å; V120-Q123 PolarHBondContact O-N 3.36Å; V120-Q124 WeakPolarHBondContact O-CG 3.43Å; V120-Q124 PolarHBondContact O-N 2.93Å; V120-V253 HydrophobicContact CG1-CG2 4.15Å
121	G	98.9	Very high	98.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-65.4	-39.5	177	0	0	0	0	0	113.5	A54 T118 Q123 Q124 M125	A54-G121 WeakPolarHBondContact O-CA 3.34Å; T118-G121 CarbonylContact O-C 3.52Å; T118-G121 WeakPolarHBondContact O-CA 3.35Å; T118-G121 PolarHBondContact O-N 3.48Å; T118-G121 PolarHBondContact OG1-N 3.3Å; G121-Q123 VanDerWaalsContact C-N 3.33Å; G121-Q123 PolarHBondContact O-N 2.8Å; G121-Q124 PolarHBondContact O-N 3.36Å; G121-M125 VanDerWaalsContact O-CG 3.31Å; G121-M125 WeakPolarHBondContact O-CG 3.4Å; G121-M125 PolarHBondContact O-N 2.75Å
122	M	98.9	Very high	98.7	Very high	7 Å²	7	27.2 Å²	27.2	3%	0.034	13%	0.133	C	C	.	.	H	α-helix	trans	-59.3	-44.5	174.7	-66.4	178.4	-167.3	0	0	111.2	I76 P77 T80 L117 T118 M125 F126 C168	I76-M122 HydrophobicContact CB-SD 4.4Å; I76-M122 HydrophobicContact CG1-CE 4.15Å; I76-M122 HydrophobicContact CG1-SD 4.24Å; I76-M122 HydrophobicContact CG2-SD 4.39Å; P77-M122 VanDerWaalsContact CD-SD 3.52Å; P77-M122 HydrophobicContact CG-CB 4.35Å; T80-M122 HydrophobicContact CG2-CB 4.34Å; L117-M122 HydrophobicContact CD2-CG 3.73Å; L117-M122 HydrophobicContact CG-CG 4.19Å; T118-M122 WeakPolarHBondContact O-CG 3.47Å; T118-M122 PolarHBondContact O-N 3.37Å; M122-M125 PolarHBondContact O-N 3.02Å; M122-F126 WeakPolarHBondContact O-CB 3.42Å; M122-F126 PolarHBondContact O-N 2.82Å; M122-C168 VanDerWaalsContact CB-SG 3.53Å; M122-C168 WeakPolarHBondContact O-CB 3.34Å
123	Q	98.8	Very high	98.7	Very high	73 Å²	73	29.1 Å²	29.1	34%	0.341	14%	0.14	S	C	.	.	H	α-helix	trans	-67	-38.3	177.5	-171.3	60.9	45.3	0	0	112.7	K119 V120 G121 M125 F126 A127	K119-Q123 WeakPolarHBondContact O-CB 3.4Å; K119-Q123 PolarHBondContact O-N 2.91Å; V120-Q123 PolarHBondContact O-N 3.36Å; G121-Q123 VanDerWaalsContact C-N 3.33Å; G121-Q123 PolarHBondContact O-N 2.8Å; Q123-M125 VanDerWaalsContact C-N 3.33Å; Q123-M125 PolarHBondContact O-N 3.46Å; Q123-F126 PolarHBondContact O-N 2.93Å; Q123-A127 WeakPolarHBondContact O-CB 3.49Å; Q123-A127 PolarHBondContact O-N 2.93Å
124	Q	98.9	Very high	98.7	Very high	52 Å²	52	29.8 Å²	29.8	24%	0.243	14%	0.143	C	C	.	.	H	α-helix	trans	-59.7	-45.2	174.3	-71.9	171.5	-25	0	0	111.5	V120 G121 A127 L128 A348	V120-Q124 WeakPolarHBondContact O-CG 3.43Å; V120-Q124 PolarHBondContact O-N 2.93Å; G121-Q124 PolarHBondContact O-N 3.36Å; Q124-A127 PolarHBondContact O-N 2.98Å; Q124-L128 PolarHBondContact O-N 3.23Å; Q124-A348 HydrophobicContact CB-CB 3.62Å
125	M	98.9	Very high	98.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-69.5	-36	179.6	-65.6	-56.2	-46.8	0	0	112.1	F50 G121 M122 Q123 L128 G129 S165 C168 L169 A348	F50-M125 HydrophobicContact CD2-CE 3.35Å; F50-M125 HydrophobicContact CD2-SD 4.45Å; F50-M125 HydrophobicContact CE2-CE 3.57Å; F50-M125 HydrophobicContact CG-CE 4.15Å; G121-M125 VanDerWaalsContact O-CG 3.31Å; G121-M125 WeakPolarHBondContact O-CG 3.4Å; G121-M125 PolarHBondContact O-N 2.75Å; M122-M125 PolarHBondContact O-N 3.02Å; Q123-M125 VanDerWaalsContact C-N 3.33Å; Q123-M125 PolarHBondContact O-N 3.46Å; M125-L128 HydrophobicContact CE-CD2 3.86Å; M125-L128 PolarHBondContact O-N 3.33Å; M125-G129 PolarHBondContact O-N 2.92Å; M125-S165 WeakPolarHBondContact CB-O 3.28Å; M125-C168 HydrophobicContact CB-CB 3.69Å; M125-L169 HydrophobicContact CE-CB 4.03Å; M125-L169 HydrophobicContact CE-CD1 3.9Å; M125-L169 VanDerWaalsContact O-CA 3.29Å; M125-L169 WeakPolarHBondContact O-CA 3.31Å; M125-A348 HydrophobicContact SD-CB 3.57Å; M125-A348 VanDerWaalsContact SD-CB 3.57Å
126	F	98.8	Very high	98.7	Very high	10 Å²	10	32.6 Å²	32.6	4%	0.044	16%	0.158	C	C	.	.	H	α-helix	trans	-59.9	-47.7	171.4	-177.3	-97.3	0	0	0	111.7	Q79 T80 M122 Q123 L128 G129 E130 C168 A171 G172 H176	Q79-F126 HydrophobicContact CB-CE2 4.44Å; Q79-F126 HydrophobicContact CB-CZ 4.28Å; Q79-F126 HydrophobicContact CG-CD1 4.44Å; Q79-F126 HydrophobicContact CG-CE1 4.2Å; Q79-F126 HydrophobicContact CG-CE2 4.45Å; Q79-F126 HydrophobicContact CG-CZ 4.22Å; Q79-F126 WeakPolarHBondContact O-CD2 3.27Å; Q79-F126 WeakPolarHBondContact O-CE2 3.31Å; T80-F126 HydrophobicContact CG2-CB 4Å; T80-F126 HydrophobicContact CG2-CD2 4.19Å; T80-F126 HydrophobicContact CG2-CG 4.27Å; M122-F126 WeakPolarHBondContact O-CB 3.42Å; M122-F126 PolarHBondContact O-N 2.82Å; Q123-F126 PolarHBondContact O-N 2.93Å; F126-L128 VanDerWaalsContact C-N 3.31Å; F126-L128 PolarHBondContact O-N 2.94Å; F126-G129 CarbonylContact O-C 3.59Å; F126-G129 VanDerWaalsContact O-CA 3.31Å; F126-G129 WeakPolarHBondContact O-CA 3.35Å; F126-G129 PolarHBondContact O-N 3.05Å; F126-E130 HydrophobicContact CD1-CG 4.07Å; F126-E130 HydrophobicContact CE1-CG 3.7Å; F126-E130 VanDerWaalsContact CE1-OE1 3.31Å; F126-E130 WeakPolarHBondContact CE1-OE1 3.37Å; F126-E130 WeakPolarHBondContact CE1-OE2 3.46Å; F126-E130 HydrophobicContact CZ-CG 4.07Å; F126-E130 PolarHBondContact O-N 3.36Å; F126-C168 WeakPolarHBondContact CA-O 3.34Å; F126-A171 HydrophobicContact CD2-CB 4.09Å; F126-A171 HydrophobicContact CE2-CB 4.29Å; F126-G172 VanDerWaalsContact CD2-CA 3.42Å; F126-G172 VanDerWaalsContact CD2-N 3.29Å; F126-H176 AromaticContact CE2-CE1 3.82Å
127	A	98.8	Very high	98.6	Very high	46 Å²	46	33.1 Å²	33.1	38%	0.38	16%	0.161	S	C	.	.	H	α-helix	trans	-61.9	-37.4	177.4	0	0	0	0	0	112.6	Q123 Q124 G129 E130 R131	Q123-A127 WeakPolarHBondContact O-CB 3.49Å; Q123-A127 PolarHBondContact O-N 2.93Å; Q124-A127 PolarHBondContact O-N 2.98Å; A127-G129 VanDerWaalsContact C-N 3.32Å; A127-E130 PolarHBondContact O-N 3.11Å; A127-R131 PolarHBondContact O-N 3.33Å
128	L	98.9	Very high	98.5	Very high	9 Å²	9	38.4 Å²	38.4	5%	0.047	19%	0.185	C	C	.	.	H	α-helix	trans	-60	-44.2	170	174	58.4	0	0	0	111	F50 Q124 M125 F126 E130 R131 L132 L169 D350	F50-L128 HydrophobicContact CB-CD2 4.12Å; Q124-L128 PolarHBondContact O-N 3.23Å; M125-L128 HydrophobicContact CE-CD2 3.86Å; M125-L128 PolarHBondContact O-N 3.33Å; F126-L128 VanDerWaalsContact C-N 3.31Å; F126-L128 PolarHBondContact O-N 2.94Å; L128-E130 PolarHBondContact O-N 3.11Å; L128-R131 PolarHBondContact O-N 3.06Å; L128-L132 HydrophobicContact CD1-CD1 4.47Å; L128-L132 HydrophobicContact CD1-CG 4.32Å; L128-L132 HydrophobicContact CG-CD1 4.43Å; L128-L132 WeakPolarHBondContact O-CG 3.5Å; L128-L132 PolarHBondContact O-N 3.35Å; L128-L169 HydrophobicContact CD2-CD1 3.79Å; L128-L169 HydrophobicContact CG-CD1 4.07Å; L128-L169 HydrophobicContact CG-CG 4.5Å; L128-D350 HydrophobicContact CD1-CB 4.16Å; L128-D350 HydrophobicContact CD2-CB 4.17Å
129	G	98.6	Very high	98.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-57.1	-46	173.5	0	0	0	0	0	113.3	M125 F126 A127 R131 L132 R133 L169 G172 L173	M125-G129 PolarHBondContact O-N 2.92Å; F126-G129 CarbonylContact O-C 3.59Å; F126-G129 VanDerWaalsContact O-CA 3.31Å; F126-G129 WeakPolarHBondContact O-CA 3.35Å; F126-G129 PolarHBondContact O-N 3.05Å; A127-G129 VanDerWaalsContact C-N 3.32Å; G129-R131 VanDerWaalsContact C-N 3.34Å; G129-R131 PolarHBondContact O-N 2.94Å; G129-L132 PolarHBondContact O-N 2.94Å; G129-R133 PolarHBondContact O-N 2.97Å; G129-L169 VanDerWaalsContact CA-O 3.31Å; G129-L169 WeakPolarHBondContact CA-O 3.32Å; G129-G172 VanDerWaalsContact C-C 3.48Å; G129-L173 WeakPolarHBondContact O-CA 3.43Å
130	E	98.5	Very high	98.3	Very high	84 Å²	84	42.7 Å²	42.7	39%	0.393	21%	0.21	S	C	.	.	H	α-helix	trans	-62.5	-39.6	176.6	-68.3	-172.3	122.3	0	0	112.2	F126 A127 L128 L132 R133 K134	F126-E130 HydrophobicContact CD1-CG 4.07Å; F126-E130 HydrophobicContact CE1-CG 3.7Å; F126-E130 VanDerWaalsContact CE1-OE1 3.31Å; F126-E130 WeakPolarHBondContact CE1-OE1 3.37Å; F126-E130 WeakPolarHBondContact CE1-OE2 3.46Å; F126-E130 HydrophobicContact CZ-CG 4.07Å; F126-E130 PolarHBondContact O-N 3.36Å; A127-E130 PolarHBondContact O-N 3.11Å; L128-E130 PolarHBondContact O-N 3.11Å; E130-L132 PolarHBondContact O-N 2.93Å; E130-R133 WeakPolarHBondContact O-CB 3.46Å; E130-R133 PolarHBondContact O-N 3.4Å; E130-K134 PolarHBondContact O-N 3.16Å
131	R	98.8	Very high	98.2	Very high	73 Å²	73	46.4 Å²	46.4	28%	0.275	24%	0.236	S	C	.	.	H	α-helix	trans	-63	-43.1	174.9	-165.9	-172	71	-164.4	1.8	111.6	A127 L128 G129 R133 K134 N135 D350	A127-R131 PolarHBondContact O-N 3.33Å; L128-R131 PolarHBondContact O-N 3.06Å; G129-R131 VanDerWaalsContact C-N 3.34Å; G129-R131 PolarHBondContact O-N 2.94Å; R131-R133 VanDerWaalsContact C-N 3.32Å; R131-R133 PolarHBondContact O-N 2.86Å; R131-K134 PolarHBondContact O-N 3.37Å; R131-N135 PolarHBondContact O-N 2.95Å; R131-N135 PolarHBondContact O-OD1 3.02Å; R131-D350 IonicContact CZ-OD1 3.07Å; R131-D350 IonicContact CZ-OD2 2.78Å; R131-D350 IonicContact NH1-OD1 2.69Å; R131-D350 PolarHBondContact NH1-OD1 3.13Å; R131-D350 IonicContact NH2-OD1 2.78Å; R131-D350 PolarHBondContact NH2-OD1 3.02Å; R131-D350 IonicContact NH2-OD2 2.7Å; R131-D350 PolarHBondContact NH2-OD2 3.42Å
132	L	98.7	Very high	98.2	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-65.4	-36.3	175.8	-64.5	174.5	0	0	0	111.7	V48 L128 G129 E130 N135 Y136 L169 L173	V48-L132 HydrophobicContact CG2-CD1 4.35Å; V48-L132 HydrophobicContact CG2-CD2 4.01Å; L128-L132 HydrophobicContact CD1-CD1 4.47Å; L128-L132 HydrophobicContact CD1-CG 4.32Å; L128-L132 HydrophobicContact CG-CD1 4.43Å; L128-L132 WeakPolarHBondContact O-CG 3.5Å; L128-L132 PolarHBondContact O-N 3.35Å; G129-L132 PolarHBondContact O-N 2.94Å; E130-L132 PolarHBondContact O-N 2.93Å; L132-N135 PolarHBondContact O-N 3.24Å; L132-Y136 HydrophobicContact CB-CD2 4.25Å; L132-Y136 HydrophobicContact CD2-CD2 4.17Å; L132-Y136 HydrophobicContact CD2-CE2 3.61Å; L132-Y136 WeakPolarHBondContact O-CB 3.31Å; L132-Y136 VanDerWaalsContact O-CD2 3.27Å; L132-Y136 WeakPolarHBondContact O-CD2 3.43Å; L132-Y136 PolarHBondContact O-N 2.87Å; L132-L169 HydrophobicContact CD1-CD1 4.2Å; L132-L169 HydrophobicContact CD1-CD2 3.98Å; L132-L169 HydrophobicContact CD1-CG 4.26Å; L132-L173 HydrophobicContact CB-CD1 3.89Å
133	R	98.3	Very high	98.1	Very high	41 Å²	41	47.4 Å²	47.4	16%	0.155	24%	0.24	C	C	.	.	H	α-helix	trans	-61.6	-50.4	174.2	-178	-179.6	-178.9	81	1.9	111.1	G129 E130 R131 N135 Y136 M137 E138 L173	G129-R133 PolarHBondContact O-N 2.97Å; E130-R133 WeakPolarHBondContact O-CB 3.46Å; E130-R133 PolarHBondContact O-N 3.4Å; R131-R133 VanDerWaalsContact C-N 3.32Å; R131-R133 PolarHBondContact O-N 2.86Å; R133-N135 VanDerWaalsContact C-N 3.31Å; R133-N135 PolarHBondContact O-N 2.8Å; R133-Y136 PolarHBondContact O-N 3.09Å; R133-M137 HydrophobicContact CG-CB 4.36Å; R133-M137 HydrophobicContact CG-SD 4.01Å; R133-M137 WeakPolarHBondContact O-CA 3.34Å; R133-M137 WeakPolarHBondContact O-CB 3.41Å; R133-M137 PolarHBondContact O-N 2.7Å; R133-E138 HydrophobicContact CG-CG 4.41Å; R133-E138 IonicContact NE-OE1 2.94Å; R133-E138 PolarHBondContact NE-OE1 2.81Å; R133-E138 PolarHBondContact O-N 2.96Å; R133-L173 HydrophobicContact CB-CD1 4.02Å; R133-L173 WeakPolarHBondContact CD-O 3.44Å; R133-L173 PolarHBondContact NH1-O 2.76Å
134	K	98.4	Very high	97.9	Very high	97 Å²	97	45.7 Å²	45.7	42%	0.422	24%	0.236	S	C	.	.	I	π-helix	trans	-52.9	-52.9	176	175.9	167.4	175	49.3	0	110.5	E130 R131 Y136 E138 D139	E130-K134 PolarHBondContact O-N 3.16Å; R131-K134 PolarHBondContact O-N 3.37Å; K134-Y136 PolarHBondContact O-N 3.49Å; K134-E138 PolarHBondContact O-N 2.9Å; K134-D139 WeakPolarHBondContact CG-OD2 3.48Å; K134-D139 IonicContact NZ-OD1 3.28Å; K134-D139 PolarHBondContact NZ-OD1 3.12Å; K134-D139 IonicContact NZ-OD2 3.18Å; K134-D139 PolarHBondContact NZ-OD2 2.92Å; K134-D139 WeakPolarHBondContact O-CB 3.32Å; K134-D139 PolarHBondContact O-N 3.17Å
135	N	98.4	Very high	97.6	Very high	57 Å²	57	46.7 Å²	46.7	31%	0.305	25%	0.247	S	C	.	.	I	π-helix	trans	-66.8	-37.4	-175.2	-66.6	0.7	0	0	0	113.6	R131 L132 R133 I140	R131-N135 PolarHBondContact O-N 2.95Å; R131-N135 PolarHBondContact O-OD1 3.02Å; L132-N135 PolarHBondContact O-N 3.24Å; R133-N135 VanDerWaalsContact C-N 3.31Å; R133-N135 PolarHBondContact O-N 2.8Å; N135-I140 WeakPolarHBondContact O-CG1 3.43Å
136	Y	98.5	Very high	97.2	Very high	4 Å²	4	49.8 Å²	49.8	2%	0.016	27%	0.266	C	S	.	.	I	π-helix	trans	-118.8	2.4	-165.5	-55.6	-50	0	0	0	115.3	L43 V46 L132 R133 K134 I140 F142 L143 T352 E354	L43-Y136 HydrophobicContact CD2-CD1 3.77Å; L43-Y136 HydrophobicContact CD2-CE1 3.92Å; V46-Y136 HydrophobicContact CG1-CE2 3.79Å; V46-Y136 HydrophobicContact CG2-CD1 4.06Å; V46-Y136 HydrophobicContact CG2-CE1 3.74Å; V46-Y136 HydrophobicContact CG2-CE2 4.29Å; V46-Y136 HydrophobicContact CG2-CG 4.5Å; L132-Y136 HydrophobicContact CB-CD2 4.25Å; L132-Y136 HydrophobicContact CD2-CD2 4.17Å; L132-Y136 HydrophobicContact CD2-CE2 3.61Å; L132-Y136 WeakPolarHBondContact O-CB 3.31Å; L132-Y136 VanDerWaalsContact O-CD2 3.27Å; L132-Y136 WeakPolarHBondContact O-CD2 3.43Å; L132-Y136 PolarHBondContact O-N 2.87Å; R133-Y136 PolarHBondContact O-N 3.09Å; K134-Y136 PolarHBondContact O-N 3.49Å; Y136-I140 CarbonylContact C-O 3.1Å; Y136-I140 HydrophobicContact CD1-CD1 4.47Å; Y136-I140 VanDerWaalsContact O-O 3.13Å; Y136-F142 HydrophobicContact CD1-CD1 4.41Å; Y136-F142 HydrophobicContact CG-CD1 4.5Å; Y136-F142 WeakPolarHBondContact O-CB 3.48Å; Y136-F142 PolarHBondContact O-N 2.84Å; Y136-L143 PolarHBondContact O-N 3.39Å; Y136-T352 VanDerWaalsContact OH-CG2 3.23Å; Y136-T352 WeakPolarHBondContact OH-CG2 3.34Å; Y136-E354 WeakPolarHBondContact CE1-OE1 3.48Å; Y136-E354 VanDerWaalsContact CZ-OE1 3.28Å; Y136-E354 PolarHBondContact OH-OE1 3.14Å
137	M	96.8	Very high	96.9	Very high	24 Å²	24	50.8 Å²	50.8	12%	0.118	27%	0.271	C	S	.	.	I	π-helix	trans	-130.9	-39.9	173.5	-61.6	178.3	-171.8	0	0	112.4	R133 I140 L143 S144 L173 F174	R133-M137 HydrophobicContact CG-CB 4.36Å; R133-M137 HydrophobicContact CG-SD 4.01Å; R133-M137 WeakPolarHBondContact O-CA 3.34Å; R133-M137 WeakPolarHBondContact O-CB 3.41Å; R133-M137 PolarHBondContact O-N 2.7Å; M137-I140 CarbonylContact C-O 3.34Å; M137-I140 VanDerWaalsContact CA-O 3.3Å; M137-I140 WeakPolarHBondContact CA-O 3.45Å; M137-I140 PolarHBondContact N-O 3.34Å; M137-L143 HydrophobicContact CE-CB 3.75Å; M137-L143 HydrophobicContact CE-CD1 4.12Å; M137-L143 HydrophobicContact CG-CB 3.86Å; M137-S144 VanDerWaalsContact CE-O 3.31Å; M137-S144 WeakPolarHBondContact CE-O 3.42Å; M137-L173 HydrophobicContact CE-CD1 3.58Å; M137-L173 HydrophobicContact CE-CG 3.83Å; M137-L173 HydrophobicContact SD-CD1 4.41Å; M137-F174 HydrophobicContact CE-CD1 3.66Å; M137-F174 HydrophobicContact CE-CE1 3.25Å; M137-F174 HydrophobicContact CE-CZ 3.91Å
138	E	96.9	Very high	96.6	Very high	115 Å²	115	51.1 Å²	51.1	54%	0.537	27%	0.266	S	S	.	.	I	π-helix	trans	-89.8	-53.5	-174.1	-58.9	175.3	-175	0	0	111.8	R133 K134	R133-E138 HydrophobicContact CG-CG 4.41Å; R133-E138 IonicContact NE-OE1 2.94Å; R133-E138 PolarHBondContact NE-OE1 2.81Å; R133-E138 PolarHBondContact O-N 2.96Å; K134-E138 PolarHBondContact O-N 2.9Å
139	D	97.4	Very high	96.2	Very high	92 Å²	92	54.5 Å²	54.5	49%	0.492	29%	0.288	S	S	.	.	S	Bend	trans	-73.5	-35.6	-178.6	-66.9	-15	0	0	0	111.1	K134	K134-D139 WeakPolarHBondContact CG-OD2 3.48Å; K134-D139 IonicContact NZ-OD1 3.28Å; K134-D139 PolarHBondContact NZ-OD1 3.12Å; K134-D139 IonicContact NZ-OD2 3.18Å; K134-D139 PolarHBondContact NZ-OD2 2.92Å; K134-D139 WeakPolarHBondContact O-CB 3.32Å; K134-D139 PolarHBondContact O-N 3.17Å
140	I	95.8	Very high	96	Very high	65 Å²	65	59.9 Å²	59.9	33%	0.333	31%	0.313	S	S	.	.	S	Bend	trans	-137	138.8	169.4	53.6	168.6	0	0	0	110.7	L43 N135 Y136 M137 F142	L43-I140 HydrophobicContact CB-CD1 4.22Å; L43-I140 HydrophobicContact CD2-CD1 3.51Å; N135-I140 WeakPolarHBondContact O-CG1 3.43Å; Y136-I140 CarbonylContact C-O 3.1Å; Y136-I140 HydrophobicContact CD1-CD1 4.47Å; Y136-I140 VanDerWaalsContact O-O 3.13Å; M137-I140 CarbonylContact C-O 3.34Å; M137-I140 VanDerWaalsContact CA-O 3.3Å; M137-I140 WeakPolarHBondContact CA-O 3.45Å; M137-I140 PolarHBondContact N-O 3.34Å; I140-F142 HydrophobicContact CD1-CB 4.05Å; I140-F142 HydrophobicContact CG1-CB 4.23Å; I140-F142 PolarHBondContact O-N 3.15Å
141	P	96.6	Very high	95.8	Very high	124 Å²	124	56.9 Å²	56.9	81%	0.805	30%	0.3	S	S	*	.			trans	-79.3	54.8	-179.4	34.2	-37.1	0	0	0	111.7
142	F	97.9	Very high	95.7	Very high	20 Å²	20	53.7 Å²	53.7	9%	0.088	29%	0.288	C	S	.	.			trans	-78.5	-46.6	-176.3	177.1	-115.7	0	0	0	111.8	L43 V46 Y136 I140 K319	L43-F142 HydrophobicContact CB-CD2 4.25Å; L43-F142 HydrophobicContact CB-CE2 4.45Å; L43-F142 HydrophobicContact CD2-CB 4.2Å; L43-F142 HydrophobicContact CD2-CD1 3.72Å; L43-F142 HydrophobicContact CD2-CD2 3.98Å; L43-F142 HydrophobicContact CD2-CE1 4.05Å; L43-F142 HydrophobicContact CD2-CE2 4.28Å; L43-F142 HydrophobicContact CD2-CG 3.7Å; L43-F142 HydrophobicContact CD2-CZ 4.32Å; L43-F142 HydrophobicContact CG-CD1 4.39Å; L43-F142 HydrophobicContact CG-CD2 3.99Å; L43-F142 HydrophobicContact CG-CE1 4.36Å; L43-F142 HydrophobicContact CG-CE2 3.95Å; L43-F142 HydrophobicContact CG-CG 4.23Å; L43-F142 HydrophobicContact CG-CZ 4.14Å; L43-F142 WeakPolarHBondContact O-CE2 3.46Å; V46-F142 HydrophobicContact CB-CE1 4.35Å; V46-F142 HydrophobicContact CG2-CD1 4.23Å; V46-F142 HydrophobicContact CG2-CE1 3.66Å; V46-F142 HydrophobicContact CG2-CZ 4.35Å; Y136-F142 HydrophobicContact CD1-CD1 4.41Å; Y136-F142 HydrophobicContact CG-CD1 4.5Å; Y136-F142 WeakPolarHBondContact O-CB 3.48Å; Y136-F142 PolarHBondContact O-N 2.84Å; I140-F142 HydrophobicContact CD1-CB 4.05Å; I140-F142 HydrophobicContact CG1-CB 4.23Å; I140-F142 PolarHBondContact O-N 3.15Å; F142-K319 HydrophobicContact CE1-CB 3.83Å; F142-K319 WeakPolarHBondContact CE1-O 3.45Å; F142-K319 HydrophobicContact CE2-CB 4.25Å; F142-K319 HydrophobicContact CE2-CD 4.24Å; F142-K319 HydrophobicContact CE2-CG 4.23Å; F142-K319 HydrophobicContact CZ-CB 3.57Å; F142-K319 HydrophobicContact CZ-CD 4.34Å; F142-K319 HydrophobicContact CZ-CG 4.04Å; F142-K319 WeakPolarHBondContact CZ-O 3.49Å; F142-K319 WeakPolarHBondContact O-CD 3.21Å; F142-K319 WeakPolarHBondContact O-CE 3.48Å; F142-K319 PolarHBondContact O-NZ 3.23Å
143	L	97.3	Very high	95.7	Very high	9 Å²	9	55.7 Å²	55.7	5%	0.047	30%	0.299	C	S	.	.	S	Bend	trans	-104.1	151.6	177.9	-64.2	172.2	0	0	0	111.7	Y136 M137 E151 K319 L320	Y136-L143 PolarHBondContact O-N 3.39Å; M137-L143 HydrophobicContact CE-CB 3.75Å; M137-L143 HydrophobicContact CE-CD1 4.12Å; M137-L143 HydrophobicContact CG-CB 3.86Å; L143-E151 HydrophobicContact CD2-CB 4.43Å; L143-K319 HydrophobicContact CD2-CB 3.66Å; L143-K319 HydrophobicContact CD2-CD 4.2Å; L143-L320 HydrophobicContact CD1-CB 4.21Å; L143-L320 HydrophobicContact CD1-CD2 3.8Å; L143-L320 HydrophobicContact CD2-CB 3.96Å
144	S	94.8	Very high	95.7	Very high	36 Å²	36	54 Å²	54	25%	0.252	29%	0.293	S	S	.	.			trans	-64.5	142.2	170.6	-57.5	0	0	0	0	110.5	M137 V146 E151	M137-S144 VanDerWaalsContact CE-O 3.31Å; M137-S144 WeakPolarHBondContact CE-O 3.42Å; S144-V146 WeakPolarHBondContact CB-O 3.24Å; S144-V146 PolarHBondContact O-N 3.13Å; S144-V146 VanDerWaalsContact O-N 3.13Å; S144-E151 VanDerWaalsContact CB-OE2 3.22Å; S144-E151 WeakPolarHBondContact CB-OE2 3.24Å; S144-E151 PolarHBondContact N-OE2 3.36Å; S144-E151 VanDerWaalsContact OG-CD 3.22Å; S144-E151 PolarHBondContact OG-OE1 2.79Å; S144-E151 PolarHBondContact OG-OE2 2.83Å
145	P	92	Very high	95.7	Very high	74 Å²	74	50.2 Å²	50.2	48%	0.481	28%	0.276	S	S	.	.	S	Bend	trans	-65.8	-16	177.1	27.2	-35.1	0	0	0	113.1
146	V	90.9	Very high	95.7	Very high	65 Å²	65	47.5 Å²	47.5	39%	0.394	26%	0.261	S	S	.	.	S	Bend	trans	-108.9	141.8	175.5	-168	0	0	0	0	108.7	S144 N148 Q177	S144-V146 WeakPolarHBondContact CB-O 3.24Å; S144-V146 PolarHBondContact O-N 3.13Å; S144-V146 VanDerWaalsContact O-N 3.13Å; V146-N148 PolarHBondContact O-N 3.49Å; V146-Q177 HydrophobicContact CG1-CB 4.49Å
147	F	92.4	Very high	95.7	Very high	31 Å²	31	47.3 Å²	47.3	14%	0.136	26%	0.261	C	S	.	.			trans	-56.2	125.7	176.5	175.5	-98.8	0	0	0	111.7	P149 V152 F174 V181	F147-P149 HydrophobicContact CE1-CB 4.04Å; F147-P149 HydrophobicContact CZ-CB 4.32Å; F147-V152 HydrophobicContact CD2-CB 4.31Å; F147-V152 HydrophobicContact CD2-CG2 4.33Å; F147-V152 HydrophobicContact CE2-CB 3.7Å; F147-V152 HydrophobicContact CE2-CG1 3.99Å; F147-V152 HydrophobicContact CE2-CG2 4.21Å; F147-F174 HydrophobicContact CB-CD1 4.11Å; F147-F174 HydrophobicContact CB-CD2 4.16Å; F147-F174 HydrophobicContact CB-CE1 4.26Å; F147-F174 HydrophobicContact CB-CE2 4.33Å; F147-F174 HydrophobicContact CB-CG 4.07Å; F147-F174 HydrophobicContact CB-CZ 4.4Å; F147-F174 HydrophobicContact CD2-CD2 4.21Å; F147-F174 AromaticContact CD2-CE2 3.71Å; F147-F174 HydrophobicContact CD2-CE2 3.71Å; F147-F174 AromaticContact CD2-CZ 3.95Å; F147-F174 HydrophobicContact CD2-CZ 3.95Å; F147-V181 HydrophobicContact CB-CG2 4.47Å; F147-V181 HydrophobicContact CD1-CG2 3.65Å; F147-V181 HydrophobicContact CD2-CG2 3.65Å; F147-V181 HydrophobicContact CE1-CB 4.28Å; F147-V181 HydrophobicContact CE1-CG1 4.42Å; F147-V181 HydrophobicContact CE1-CG2 3.68Å; F147-V181 HydrophobicContact CE2-CB 4.41Å; F147-V181 HydrophobicContact CE2-CG1 3.97Å; F147-V181 HydrophobicContact CE2-CG2 3.66Å; F147-V181 HydrophobicContact CG-CG2 3.64Å; F147-V181 HydrophobicContact CZ-CB 4.15Å; F147-V181 HydrophobicContact CZ-CG1 3.81Å; F147-V181 HydrophobicContact CZ-CG2 3.69Å
148	N	92.2	Very high	95.8	Very high	53 Å²	53	46.7 Å²	46.7	28%	0.283	26%	0.257	S	S	.	.			trans	-123.1	116.3	176.5	-177.7	-12.8	0	0	0	110.1	V146 Q150 E151 V152	V146-N148 PolarHBondContact O-N 3.49Å; N148-Q150 PolarHBondContact O-N 3.36Å; N148-Q150 VanDerWaalsContact O-N 3.11Å; N148-Q150 WeakPolarHBondContact OD1-CB 3.5Å; N148-Q150 PolarHBondContact OD1-N 2.99Å; N148-E151 HydrophobicContact CB-CB 4.11Å; N148-E151 HydrophobicContact CB-CG 3.99Å; N148-E151 PolarHBondContact O-N 2.88Å; N148-V152 PolarHBondContact O-N 2.89Å; N148-V152 VanDerWaalsContact O-N 3.08Å
149	P	91.5	Very high	95.9	Very high	80 Å²	80	41.4 Å²	41.4	52%	0.519	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-12.8	-178.9	27.6	-35.3	0	0	0	114.2	F147 R318	F147-P149 HydrophobicContact CE1-CB 4.04Å; F147-P149 HydrophobicContact CZ-CB 4.32Å; P149-R318 PolarHBondContact O-NE 2.72Å
150	Q	93.1	Very high	96	Very high	112 Å²	112	41.3 Å²	41.3	52%	0.523	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-16.1	170.7	-59.7	-62.2	-8.6	0	0	113.1	N148 R318	N148-Q150 PolarHBondContact O-N 3.36Å; N148-Q150 VanDerWaalsContact O-N 3.11Å; N148-Q150 WeakPolarHBondContact OD1-CB 3.5Å; N148-Q150 PolarHBondContact OD1-N 2.99Å; Q150-R318 VanDerWaalsContact C-CD 3.5Å; Q150-R318 WeakPolarHBondContact O-CD 3.39Å
151	E	95.6	Very high	96.1	Very high	22 Å²	22	38.6 Å²	38.6	10%	0.103	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-27.9	176.2	-66.3	-169.7	150.2	0	0	112.5	L143 S144 N148 R318 K319 L320	L143-E151 HydrophobicContact CD2-CB 4.43Å; S144-E151 VanDerWaalsContact CB-OE2 3.22Å; S144-E151 WeakPolarHBondContact CB-OE2 3.24Å; S144-E151 PolarHBondContact N-OE2 3.36Å; S144-E151 VanDerWaalsContact OG-CD 3.22Å; S144-E151 PolarHBondContact OG-OE1 2.79Å; S144-E151 PolarHBondContact OG-OE2 2.83Å; N148-E151 HydrophobicContact CB-CB 4.11Å; N148-E151 HydrophobicContact CB-CG 3.99Å; N148-E151 PolarHBondContact O-N 2.88Å; E151-R318 WeakPolarHBondContact O-CB 3.39Å; E151-K319 HydrophobicContact CB-CB 4.4Å; E151-K319 HydrophobicContact CB-CD 4.41Å; E151-K319 HydrophobicContact CG-CD 4.1Å; E151-K319 PolarHBondContact O-N 2.86Å; E151-K319 WeakPolarHBondContact OE1-CE 3.48Å; E151-K319 IonicContact OE1-NZ 3.29Å; E151-K319 PolarHBondContact OE1-NZ 2.79Å; E151-L320 PolarHBondContact O-N 3.26Å
152	V	96.7	Very high	96.2	Very high	6 Å²	6	32.7 Å²	32.7	4%	0.036	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	130.3	-170.1	-170.6	0	0	0	0	111.3	F147 N148 V154 F174 L320 L322	F147-V152 HydrophobicContact CD2-CB 4.31Å; F147-V152 HydrophobicContact CD2-CG2 4.33Å; F147-V152 HydrophobicContact CE2-CB 3.7Å; F147-V152 HydrophobicContact CE2-CG1 3.99Å; F147-V152 HydrophobicContact CE2-CG2 4.21Å; N148-V152 PolarHBondContact O-N 2.89Å; N148-V152 VanDerWaalsContact O-N 3.08Å; V152-V154 HydrophobicContact CG1-CG2 3.84Å; V152-F174 HydrophobicContact CG2-CZ 3.92Å; V152-L320 WeakPolarHBondContact CA-O 3.42Å; V152-L320 HydrophobicContact CG1-CB 4.39Å; V152-L320 HydrophobicContact CG1-CD2 4.11Å; V152-L320 HydrophobicContact CG1-CG 4.31Å; V152-L320 HydrophobicContact CG2-CB 4.33Å; V152-L320 HydrophobicContact CG2-CD2 4.43Å; V152-L322 HydrophobicContact CG1-CD1 4.47Å
153	L	97.8	Very high	96.3	Very high	43 Å²	43	31.9 Å²	31.9	23%	0.225	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	135.6	163.6	179.5	152.8	0	0	0	109.6	R155 R318 L320 Y321 L322 Y323	L153-R155 HydrophobicContact CD2-CB 4.15Å; L153-R318 HydrophobicContact CB-CG 3.95Å; L153-L320 PolarHBondContact N-O 3.37Å; L153-Y321 HydrophobicContact CB-CD1 3.96Å; L153-Y321 HydrophobicContact CB-CE1 4.31Å; L153-Y321 HydrophobicContact CD1-CD1 4.35Å; L153-Y321 HydrophobicContact CD1-CE1 4.29Å; L153-Y321 HydrophobicContact CD2-CD1 4.12Å; L153-Y321 HydrophobicContact CG-CD1 4.37Å; L153-Y321 WeakPolarHBondContact O-CA 3.23Å; L153-L322 PolarHBondContact O-N 3.16Å; L153-Y323 HydrophobicContact CD2-CE1 4.35Å
154	V	98.4	Very high	96.3	Very high	5 Å²	5	32 Å²	32	3%	0.03	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	118.7	179.9	-169.8	0	0	0	0	109.5	V152 T166 L170 V181 I183 Q184 L322	V152-V154 HydrophobicContact CG1-CG2 3.84Å; V154-T166 HydrophobicContact CG1-CG2 3.27Å; V154-L170 HydrophobicContact CG2-CD2 4.31Å; V154-V181 HydrophobicContact CB-CG1 4.42Å; V154-V181 HydrophobicContact CG2-CG1 3.93Å; V154-I183 HydrophobicContact CG1-CB 4.49Å; V154-I183 HydrophobicContact CG1-CG1 4.05Å; V154-I183 HydrophobicContact CG1-CG2 4.25Å; V154-Q184 PolarHBondContact O-N 3.05Å; V154-L322 HydrophobicContact CG1-CB 4.34Å; V154-L322 HydrophobicContact CG2-CD1 4.31Å
155	R	98.8	Very high	96.5	Very high	18 Å²	18	30.3 Å²	30.3	7%	0.068	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	139	174.3	-174.4	-173.2	167.3	148.9	0.8	109.9	L89 L153 Q184 D186 E191 L193 L322 Y323 A324	L89-R155 HydrophobicContact CD2-CG 4.39Å; L153-R155 HydrophobicContact CD2-CB 4.15Å; R155-Q184 CarbonylContact C-O 3.29Å; R155-Q184 VanDerWaalsContact CA-O 3.28Å; R155-Q184 WeakPolarHBondContact CA-O 3.26Å; R155-Q184 WeakPolarHBondContact CG-O 3.45Å; R155-D186 IonicContact NH2-OD2 2.93Å; R155-E191 IonicContact CZ-OE1 2.77Å; R155-E191 IonicContact NE-OE1 2.74Å; R155-E191 IonicContact NH2-OE1 2.67Å; R155-E191 PolarHBondContact NH2-OE1 3.33Å; R155-L193 HydrophobicContact CG-CD1 3.9Å; R155-L322 PolarHBondContact N-O 3.09Å; R155-Y323 HydrophobicContact CB-CD1 3.88Å; R155-Y323 HydrophobicContact CB-CE1 4.04Å; R155-Y323 HydrophobicContact CG-CD1 4.49Å; R155-Y323 CarbonylContact O-C 3.26Å; R155-Y323 VanDerWaalsContact O-CA 3.28Å; R155-Y323 WeakPolarHBondContact O-CA 3.35Å; R155-A324 PolarHBondContact O-N 2.86Å
156	S	98.9	Very high	96.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	155.7	177	177.1	0	0	0	0	109.4	N162 Q184 T185	S156-N162 VanDerWaalsContact OG-CB 3.31Å; S156-N162 WeakPolarHBondContact OG-CB 3.43Å; S156-Q184 PolarHBondContact N-O 2.94Å; S156-T185 WeakPolarHBondContact O-CA 3.29Å; S156-T185 WeakPolarHBondContact O-CG2 3.49Å
157	T	98.9	Very high	97.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.121	C	C	.	.			trans	-63.8	151.3	157.6	59.5	0	0	0	0	109.9	I159 N162 E191 L193 Y194 A324 H326	T157-I159 PolarHBondContact O-N 3.29Å; T157-N162 PolarHBondContact OG1-ND2 2.69Å; T157-E191 HydrophobicContact CG2-CG 4.07Å; T157-L193 HydrophobicContact CG2-CB 3.46Å; T157-L193 VanDerWaalsContact CG2-CB 3.46Å; T157-L193 HydrophobicContact CG2-CD1 4.17Å; T157-L193 HydrophobicContact CG2-CG 4.43Å; T157-Y194 HydrophobicContact CG2-CD1 3.74Å; T157-Y194 HydrophobicContact CG2-CE1 3.94Å; T157-A324 PolarHBondContact N-O 3.39Å; T157-H326 WeakPolarHBondContact CG2-NE2 3.31Å; T157-H326 PolarHBondContact OG1-CE1 2.87Å; T157-H326 PolarHBondContact OG1-NE2 2.76Å
158	N	98.6	Very high	97.5	Very high	10 Å²	10	22.7 Å²	22.7	5%	0.053	11%	0.114	C	C	.	.	S	Bend	trans	-79.4	58.6	-179.1	-168.6	21.2	0	0	0	112.2	K94 P95 H96 S97 T185	K94-N158 WeakPolarHBondContact CE-OD1 3.33Å; K94-N158 PolarHBondContact NZ-OD1 3.08Å; P95-N158 VanDerWaalsContact C-ND2 3.34Å; P95-N158 PolarHBondContact O-ND2 2.9Å; H96-N158 PolarHBondContact O-ND2 3.23Å; S97-N158 WeakPolarHBondContact CB-O 3.26Å; S97-N158 PolarHBondContact OG-O 3.35Å; N158-T185 HydrophobicContact CB-CG2 4.26Å
159	I	98.8	Very high	97.8	Very high	4 Å²	4	20.2 Å²	20.2	2%	0.021	10%	0.101	C	C	.	.			trans	-128.8	131.3	177.3	-53.6	-174.2	0	0	0	108.2	Y99 Y103 T157 R161 N162 L163	Y99-I159 HydrophobicContact CD1-CD1 4.37Å; Y99-I159 HydrophobicContact CD2-CD1 3.79Å; Y99-I159 HydrophobicContact CD2-CG1 4.06Å; Y99-I159 HydrophobicContact CE2-CD1 4.44Å; Y99-I159 HydrophobicContact CG-CD1 3.75Å; Y99-I159 HydrophobicContact CG-CG1 4.21Å; Y103-I159 HydrophobicContact CE2-CG2 3.94Å; T157-I159 PolarHBondContact O-N 3.29Å; I159-R161 VanDerWaalsContact C-N 3.33Å; I159-R161 HydrophobicContact CG2-CG 3.93Å; I159-R161 PolarHBondContact O-N 2.87Å; I159-N162 WeakPolarHBondContact O-CB 3.47Å; I159-N162 PolarHBondContact O-N 3.48Å; I159-L163 PolarHBondContact O-N 3.06Å
160	F	98.7	Very high	98.1	Very high	90 Å²	90	16.4 Å²	16.4	40%	0.395	8%	0.076	S	C	.	.	H	α-helix	trans	-53.6	-44.7	-168.8	-173.7	-113.4	0	0	0	113.6	D100 N162 L163 E164	D100-F160 PolarHBondContact OD1-N 2.88Å; D100-F160 PolarHBondContact OD2-N 2.83Å; F160-N162 PolarHBondContact O-N 2.77Å; F160-L163 WeakPolarHBondContact O-CB 3.46Å; F160-L163 PolarHBondContact O-N 2.83Å; F160-L163 VanDerWaalsContact O-N 3.15Å; F160-E164 HydrophobicContact CD1-CG 4.11Å; F160-E164 HydrophobicContact CD2-CG 4.2Å; F160-E164 HydrophobicContact CE1-CG 3.64Å; F160-E164 HydrophobicContact CE2-CG 3.73Å; F160-E164 HydrophobicContact CG-CG 4.36Å; F160-E164 HydrophobicContact CZ-CG 3.43Å; F160-E164 VanDerWaalsContact CZ-CG 3.43Å; F160-E164 PolarHBondContact O-N 2.91Å
161	R	98.8	Very high	98.3	Very high	9 Å²	9	11 Å²	11	3%	0.034	5%	0.051	C	C	.	.	H	α-helix	trans	-59.7	-29.9	177.2	59.9	170	174.6	-77.5	-6.5	114.7	H52 R55 Y103 G115 L117 I159 S165	H52-R161 PolarHBondContact NE2-NE 3.5Å; R55-R161 VanDerWaalsContact CD-CD 3.5Å; Y103-R161 PolarHBondContact OH-NH2 3.2Å; G115-R161 WeakPolarHBondContact O-CD 3.41Å; G115-R161 PolarHBondContact O-NH1 3.38Å; G115-R161 VanDerWaalsContact O-NH1 3.07Å; L117-R161 HydrophobicContact CB-CB 3.91Å; I159-R161 VanDerWaalsContact C-N 3.33Å; I159-R161 HydrophobicContact CG2-CG 3.93Å; I159-R161 PolarHBondContact O-N 2.87Å; R161-S165 VanDerWaalsContact O-CB 3.23Å; R161-S165 WeakPolarHBondContact O-CB 3.49Å; R161-S165 PolarHBondContact O-N 2.82Å; R161-S165 PolarHBondContact O-OG 3.46Å
162	N	98.9	Very high	98.4	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-79.4	-38.1	178.2	-77	23	0	0	0	110.7	H52 S156 T157 I159 F160 S165 T166 A324 T325 H326	H52-N162 VanDerWaalsContact CB-OD1 3.3Å; H52-N162 WeakPolarHBondContact CB-OD1 3.23Å; H52-N162 PolarHBondContact CD2-OD1 3.02Å; S156-N162 VanDerWaalsContact OG-CB 3.31Å; S156-N162 WeakPolarHBondContact OG-CB 3.43Å; T157-N162 PolarHBondContact OG1-ND2 2.69Å; I159-N162 WeakPolarHBondContact O-CB 3.47Å; I159-N162 PolarHBondContact O-N 3.48Å; F160-N162 PolarHBondContact O-N 2.77Å; N162-S165 PolarHBondContact O-N 2.88Å; N162-T166 WeakPolarHBondContact O-CB 3.44Å; N162-T166 PolarHBondContact O-N 3.48Å; N162-T166 PolarHBondContact O-OG1 3.46Å; N162-A324 HydrophobicContact CB-CB 4.06Å; N162-T325 PolarHBondContact ND2-O 2.9Å; N162-H326 PolarHBondContact ND2-CE1 3.41Å; N162-H326 PolarHBondContact ND2-NE2 2.94Å
163	L	98.8	Very high	98.4	Very high	2 Å²	2	9.7 Å²	9.7	1%	0.01	4%	0.044	C	C	.	.	H	α-helix	trans	-61.4	-48.4	172.8	-59.4	174.9	0	0	0	110.8	Y84 V86 I159 F160 S165 T166 R167 I183 T185	Y84-L163 HydrophobicContact CE2-CB 4.35Å; V86-L163 HydrophobicContact CG1-CD2 4.36Å; V86-L163 HydrophobicContact CG2-CD1 4.23Å; V86-L163 HydrophobicContact CG2-CD2 4.24Å; I159-L163 PolarHBondContact O-N 3.06Å; F160-L163 WeakPolarHBondContact O-CB 3.46Å; F160-L163 PolarHBondContact O-N 2.83Å; F160-L163 VanDerWaalsContact O-N 3.15Å; L163-S165 PolarHBondContact O-N 3.2Å; L163-T166 WeakPolarHBondContact O-CB 3.31Å; L163-T166 PolarHBondContact O-N 3Å; L163-T166 VanDerWaalsContact O-N 3.17Å; L163-R167 PolarHBondContact O-N 3.15Å; L163-I183 HydrophobicContact CD2-CB 4.5Å; L163-I183 HydrophobicContact CD2-CG2 3.8Å; L163-T185 HydrophobicContact CD2-CG2 3.83Å
164	E	98.8	Very high	98.3	Very high	12 Å²	12	7.7 Å²	7.7	6%	0.056	3%	0.034	C	C	.	.	H	α-helix	trans	-68.2	-34.8	178.9	-71.4	-64	91.5	0	0	112.8	Y84 L117 F160 T166 R167 C168	Y84-E164 PolarHBondContact OH-OE1 2.89Å; Y84-E164 VanDerWaalsContact OH-OE1 3.09Å; L117-E164 HydrophobicContact CD2-CB 3.56Å; F160-E164 HydrophobicContact CD1-CG 4.11Å; F160-E164 HydrophobicContact CD2-CG 4.2Å; F160-E164 HydrophobicContact CE1-CG 3.64Å; F160-E164 HydrophobicContact CE2-CG 3.73Å; F160-E164 HydrophobicContact CG-CG 4.36Å; F160-E164 HydrophobicContact CZ-CG 3.43Å; F160-E164 VanDerWaalsContact CZ-CG 3.43Å; F160-E164 PolarHBondContact O-N 2.91Å; E164-T166 VanDerWaalsContact C-N 3.3Å; E164-T166 PolarHBondContact O-N 3.32Å; E164-R167 WeakPolarHBondContact O-CB 3.29Å; E164-R167 PolarHBondContact O-N 2.94Å; E164-R167 IonicContact OE1-NE 3.43Å; E164-R167 PolarHBondContact OE1-NE 3.42Å; E164-R167 VanDerWaalsContact OE1-NE 3.16Å; E164-R167 IonicContact OE2-CZ 3.86Å; E164-R167 VanDerWaalsContact OE2-CZ 3.24Å; E164-R167 IonicContact OE2-NE 3.82Å; E164-R167 PolarHBondContact OE2-NE 2.67Å; E164-R167 IonicContact OE2-NH2 2.93Å; E164-R167 PolarHBondContact OE2-NH2 3.36Å; E164-C168 PolarHBondContact O-N 3.13Å; E164-C168 PolarHBondContact O-SG 2.96Å
165	S	98.9	Very high	97.9	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-63	-41.1	171.9	-68.2	0	0	0	0	111.4	H52 G53 L117 M125 R161 N162 L163 C168 L169	H52-S165 VanDerWaalsContact CA-OG 3.29Å; H52-S165 WeakPolarHBondContact CA-OG 3.45Å; H52-S165 VanDerWaalsContact CB-OG 3.22Å; H52-S165 WeakPolarHBondContact CB-OG 3.28Å; G53-S165 PolarHBondContact N-OG 3.47Å; G53-S165 VanDerWaalsContact N-OG 3.14Å; L117-S165 WeakPolarHBondContact CD1-OG 3.5Å; M125-S165 WeakPolarHBondContact CB-O 3.28Å; R161-S165 VanDerWaalsContact O-CB 3.23Å; R161-S165 WeakPolarHBondContact O-CB 3.49Å; R161-S165 PolarHBondContact O-N 2.82Å; R161-S165 PolarHBondContact O-OG 3.46Å; N162-S165 PolarHBondContact O-N 2.88Å; L163-S165 PolarHBondContact O-N 3.2Å; S165-C168 PolarHBondContact O-N 3.26Å; S165-L169 PolarHBondContact O-N 2.86Å
166	T	98.8	Very high	96.6	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-64.4	-44.1	176.5	-56.4	0	0	0	0	111.1	F50 V154 N162 L163 E164 C168 L169 L170 I183 A324	F50-T166 HydrophobicContact CZ-CG2 4.48Å; V154-T166 HydrophobicContact CG1-CG2 3.27Å; N162-T166 WeakPolarHBondContact O-CB 3.44Å; N162-T166 PolarHBondContact O-N 3.48Å; N162-T166 PolarHBondContact O-OG1 3.46Å; L163-T166 WeakPolarHBondContact O-CB 3.31Å; L163-T166 PolarHBondContact O-N 3Å; L163-T166 VanDerWaalsContact O-N 3.17Å; E164-T166 VanDerWaalsContact C-N 3.3Å; E164-T166 PolarHBondContact O-N 3.32Å; T166-C168 VanDerWaalsContact C-N 3.33Å; T166-C168 PolarHBondContact O-N 3.14Å; T166-L169 PolarHBondContact O-N 2.87Å; T166-L170 HydrophobicContact CG2-CD1 3.97Å; T166-L170 HydrophobicContact CG2-CG 4.46Å; T166-L170 WeakPolarHBondContact O-CB 3.41Å; T166-L170 VanDerWaalsContact O-CG 3.27Å; T166-L170 WeakPolarHBondContact O-CG 3.38Å; T166-L170 PolarHBondContact O-N 2.8Å; T166-I183 HydrophobicContact CG2-CD1 3.71Å; T166-I183 HydrophobicContact CG2-CG1 4.22Å; T166-A324 WeakPolarHBondContact OG1-CB 3.49Å
167	R	97.9	Very high	95.3	Very high	11 Å²	11	17.3 Å²	17.3	4%	0.042	8%	0.079	C	C	.	.	H	α-helix	trans	-53.4	-50.1	172.8	177.9	-172.8	56.5	76.7	-5.3	111.3	T80 F82 Y84 L163 E164 L170 A171	T80-R167 PolarHBondContact O-NH1 3.39Å; T80-R167 PolarHBondContact OG1-NH1 3.4Å; F82-R167 HydrophobicContact CB-CG 3.86Å; F82-R167 WeakPolarHBondContact O-CD 3.45Å; F82-R167 WeakPolarHBondContact O-CG 3.41Å; Y84-R167 HydrophobicContact CD1-CB 4.08Å; Y84-R167 HydrophobicContact CD1-CG 4.04Å; Y84-R167 HydrophobicContact CE1-CB 4.1Å; Y84-R167 HydrophobicContact CE1-CG 4.23Å; L163-R167 PolarHBondContact O-N 3.15Å; E164-R167 WeakPolarHBondContact O-CB 3.29Å; E164-R167 PolarHBondContact O-N 2.94Å; E164-R167 IonicContact OE1-NE 3.43Å; E164-R167 PolarHBondContact OE1-NE 3.42Å; E164-R167 VanDerWaalsContact OE1-NE 3.16Å; E164-R167 IonicContact OE2-CZ 3.86Å; E164-R167 VanDerWaalsContact OE2-CZ 3.24Å; E164-R167 IonicContact OE2-NE 3.82Å; E164-R167 PolarHBondContact OE2-NE 2.67Å; E164-R167 IonicContact OE2-NH2 2.93Å; E164-R167 PolarHBondContact OE2-NH2 3.36Å; R167-L170 PolarHBondContact O-N 3.25Å; R167-A171 PolarHBondContact O-N 3.02Å
168	C	98.5	Very high	93.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-65.8	-40	-178.1	-62.6	0	0	0	0	112.6	T80 M122 M125 F126 E164 S165 T166 A171 G172	T80-C168 HydrophobicContact CG2-CB 4.41Å; M122-C168 VanDerWaalsContact CB-SG 3.53Å; M122-C168 WeakPolarHBondContact O-CB 3.34Å; M125-C168 HydrophobicContact CB-CB 3.69Å; F126-C168 WeakPolarHBondContact CA-O 3.34Å; E164-C168 PolarHBondContact O-N 3.13Å; E164-C168 PolarHBondContact O-SG 2.96Å; S165-C168 PolarHBondContact O-N 3.26Å; T166-C168 VanDerWaalsContact C-N 3.33Å; T166-C168 PolarHBondContact O-N 3.14Å; C168-A171 WeakPolarHBondContact O-CB 3.18Å; C168-A171 PolarHBondContact O-N 2.7Å; C168-G172 PolarHBondContact O-N 3.3Å
169	L	98.8	Very high	91.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-60.7	-47	173.8	-176	164.1	0	0	0	111.2	F50 M125 L128 G129 L132 S165 T166 A171 G172 L173 L322	F50-L169 HydrophobicContact CD1-CD1 3.91Å; F50-L169 HydrophobicContact CD2-CD1 4.42Å; F50-L169 HydrophobicContact CE1-CD1 3.77Å; F50-L169 HydrophobicContact CE2-CD1 4.28Å; F50-L169 HydrophobicContact CG-CD1 4.23Å; F50-L169 HydrophobicContact CZ-CD1 3.95Å; M125-L169 HydrophobicContact CE-CB 4.03Å; M125-L169 HydrophobicContact CE-CD1 3.9Å; M125-L169 VanDerWaalsContact O-CA 3.29Å; M125-L169 WeakPolarHBondContact O-CA 3.31Å; L128-L169 HydrophobicContact CD2-CD1 3.79Å; L128-L169 HydrophobicContact CG-CD1 4.07Å; L128-L169 HydrophobicContact CG-CG 4.5Å; G129-L169 VanDerWaalsContact CA-O 3.31Å; G129-L169 WeakPolarHBondContact CA-O 3.32Å; L132-L169 HydrophobicContact CD1-CD1 4.2Å; L132-L169 HydrophobicContact CD1-CD2 3.98Å; L132-L169 HydrophobicContact CD1-CG 4.26Å; S165-L169 PolarHBondContact O-N 2.86Å; T166-L169 PolarHBondContact O-N 2.87Å; L169-A171 VanDerWaalsContact C-N 3.28Å; L169-A171 PolarHBondContact O-N 2.91Å; L169-G172 PolarHBondContact O-N 3.15Å; L169-L173 HydrophobicContact CD2-CB 4.48Å; L169-L173 HydrophobicContact CD2-CD2 4.35Å; L169-L173 WeakPolarHBondContact O-CB 3.42Å; L169-L173 PolarHBondContact O-N 2.98Å; L169-L322 HydrophobicContact CD2-CD1 3.71Å; L169-L322 HydrophobicContact CD2-CD2 4.32Å
170	L	97.6	Very high	91	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-61.9	-37.5	177	-69.5	166	0	0	0	111.9	F82 V154 T166 R167 L173 F174 V181 L322	F82-L170 HydrophobicContact CD1-CB 4.44Å; V154-L170 HydrophobicContact CG2-CD2 4.31Å; T166-L170 HydrophobicContact CG2-CD1 3.97Å; T166-L170 HydrophobicContact CG2-CG 4.46Å; T166-L170 WeakPolarHBondContact O-CB 3.41Å; T166-L170 VanDerWaalsContact O-CG 3.27Å; T166-L170 WeakPolarHBondContact O-CG 3.38Å; T166-L170 PolarHBondContact O-N 2.8Å; R167-L170 PolarHBondContact O-N 3.25Å; L170-L173 PolarHBondContact O-N 3.13Å; L170-F174 HydrophobicContact CD2-CD2 4.03Å; L170-F174 HydrophobicContact CD2-CE2 3.75Å; L170-F174 PolarHBondContact O-N 3.35Å; L170-V181 HydrophobicContact CD1-CB 4.09Å; L170-V181 HydrophobicContact CD1-CG1 3.7Å; L170-V181 HydrophobicContact CD1-CG2 4.14Å; L170-L322 HydrophobicContact CD2-CD1 3.89Å
171	A	97.1	Very high	90.7	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.8	-44.5	174.4	0	0	0	0	0	112.3	T80 F82 F126 R167 C168 L169 Q175	T80-A171 WeakPolarHBondContact O-CB 3.29Å; F82-A171 HydrophobicContact CB-CB 4.07Å; F82-A171 HydrophobicContact CD2-CB 4.13Å; F82-A171 HydrophobicContact CG-CB 4.49Å; F126-A171 HydrophobicContact CD2-CB 4.09Å; F126-A171 HydrophobicContact CE2-CB 4.29Å; R167-A171 PolarHBondContact O-N 3.02Å; C168-A171 WeakPolarHBondContact O-CB 3.18Å; C168-A171 PolarHBondContact O-N 2.7Å; L169-A171 VanDerWaalsContact C-N 3.28Å; L169-A171 PolarHBondContact O-N 2.91Å; A171-Q175 VanDerWaalsContact O-CA 3.23Å; A171-Q175 WeakPolarHBondContact O-CA 3.22Å; A171-Q175 PolarHBondContact O-N 2.94Å
172	G	97.4	Very high	90.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-68.1	-38.4	175.4	0	0	0	0	0	112.9	F126 G129 C168 L169 Q175	F126-G172 VanDerWaalsContact CD2-CA 3.42Å; F126-G172 VanDerWaalsContact CD2-N 3.29Å; G129-G172 VanDerWaalsContact C-C 3.48Å; C168-G172 PolarHBondContact O-N 3.3Å; L169-G172 PolarHBondContact O-N 3.15Å; G172-Q175 PolarHBondContact O-NE2 3.48Å
173	L	97.1	Very high	90.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-68.3	-45	-179	-176.7	54.4	0	0	0	112.4	G129 L132 R133 M137 L169 L170 L320	G129-L173 WeakPolarHBondContact O-CA 3.43Å; L132-L173 HydrophobicContact CB-CD1 3.89Å; R133-L173 HydrophobicContact CB-CD1 4.02Å; R133-L173 WeakPolarHBondContact CD-O 3.44Å; R133-L173 PolarHBondContact NH1-O 2.76Å; M137-L173 HydrophobicContact CE-CD1 3.58Å; M137-L173 HydrophobicContact CE-CG 3.83Å; M137-L173 HydrophobicContact SD-CD1 4.41Å; L169-L173 HydrophobicContact CD2-CB 4.48Å; L169-L173 HydrophobicContact CD2-CD2 4.35Å; L169-L173 WeakPolarHBondContact O-CB 3.42Å; L169-L173 PolarHBondContact O-N 2.98Å; L170-L173 PolarHBondContact O-N 3.13Å; L173-L320 HydrophobicContact CD2-CD2 3.69Å
174	F	95.4	Very high	90.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-110	2.6	-172.3	-62.8	-71.1	0	0	0	114.9	F82 M137 F147 V152 L170 H176 Q177	F82-F174 HydrophobicContact CE2-CB 4.03Å; F82-F174 HydrophobicContact CZ-CB 4.29Å; M137-F174 HydrophobicContact CE-CD1 3.66Å; M137-F174 HydrophobicContact CE-CE1 3.25Å; M137-F174 HydrophobicContact CE-CZ 3.91Å; F147-F174 HydrophobicContact CB-CD1 4.11Å; F147-F174 HydrophobicContact CB-CD2 4.16Å; F147-F174 HydrophobicContact CB-CE1 4.26Å; F147-F174 HydrophobicContact CB-CE2 4.33Å; F147-F174 HydrophobicContact CB-CG 4.07Å; F147-F174 HydrophobicContact CB-CZ 4.4Å; F147-F174 HydrophobicContact CD2-CD2 4.21Å; F147-F174 AromaticContact CD2-CE2 3.71Å; F147-F174 HydrophobicContact CD2-CE2 3.71Å; F147-F174 AromaticContact CD2-CZ 3.95Å; F147-F174 HydrophobicContact CD2-CZ 3.95Å; V152-F174 HydrophobicContact CG2-CZ 3.92Å; L170-F174 HydrophobicContact CD2-CD2 4.03Å; L170-F174 HydrophobicContact CD2-CE2 3.75Å; L170-F174 PolarHBondContact O-N 3.35Å; F174-H176 PolarHBondContact O-N 3.44Å; F174-Q177 WeakPolarHBondContact O-CG 3.23Å; F174-Q177 PolarHBondContact O-N 3.21Å
175	Q	90.5	Very high	90.6	Very high	75 Å²	75	31.6 Å²	31.6	35%	0.35	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	51.9	173	-59.5	-71.9	-51.8	0	0	113.2	A171 G172 Q177	A171-Q175 VanDerWaalsContact O-CA 3.23Å; A171-Q175 WeakPolarHBondContact O-CA 3.22Å; A171-Q175 PolarHBondContact O-N 2.94Å; G172-Q175 PolarHBondContact O-NE2 3.48Å; Q175-Q177 VanDerWaalsContact C-N 3.26Å; Q175-Q177 PolarHBondContact O-N 3.01Å; Q175-Q177 VanDerWaalsContact O-N 3.14Å
176	H	71.3	Confident	90.5	Very high	70 Å²	70	33 Å²	33	32%	0.324	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	62	22.2	170.1	-53.6	71.4	0	0	0	116.4	Q79 T80 Q81 F126 F174	Q79-H176 VanDerWaalsContact CA-NE2 3.3Å; Q79-H176 WeakPolarHBondContact CA-NE2 3.33Å; Q79-H176 PolarHBondContact O-CE1 3.2Å; Q79-H176 PolarHBondContact O-NE2 3.07Å; T80-H176 PolarHBondContact N-NE2 3.15Å; Q81-H176 PolarHBondContact O-CD2 2.9Å; Q81-H176 PolarHBondContact O-NE2 2.73Å; F126-H176 AromaticContact CE2-CE1 3.82Å; F174-H176 PolarHBondContact O-N 3.44Å
177	Q	71.4	Confident	90.5	Very high	81 Å²	81	38.5 Å²	38.5	38%	0.379	20%	0.196	S	C	.	.			trans	-71.8	150.1	179.4	-66.5	-163.2	5.7	0	0	113.1	V146 F174 Q175 G179	V146-Q177 HydrophobicContact CG1-CB 4.49Å; F174-Q177 WeakPolarHBondContact O-CG 3.23Å; F174-Q177 PolarHBondContact O-N 3.21Å; Q175-Q177 VanDerWaalsContact C-N 3.26Å; Q175-Q177 PolarHBondContact O-N 3.01Å; Q175-Q177 VanDerWaalsContact O-N 3.14Å; Q177-G179 PolarHBondContact O-N 2.89Å
178	K	62.6	Low	90.5	Very high	213 Å²	213	39.1 Å²	39.1	93%	0.926	20%	0.204	S	C	*	.	S	Bend	trans	-65.2	113.5	-176.7	-69.8	-175.8	177.6	-178.4	0	111.2
179	G	64.1	Low	90.3	Very high	31 Å²	31	43.4 Å²	43.4	32%	0.32	23%	0.226	S	C	.	.			trans	172.5	123.4	171	0	0	0	0	0	110.7	Q177 V181	Q177-G179 PolarHBondContact O-N 2.89Å; G179-V181 PolarHBondContact O-N 2.87Å
180	S	80.2	Confident	90.2	Very high	63 Å²	63	45.5 Å²	45.5	44%	0.441	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-73.7	117.6	176.2	164.5	0	0	0	0	109.9
181	V	91.8	Very high	90.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	139.8	172.5	176.3	0	0	0	0	109.5	F82 E83 Y84 T85 F147 V154 L170 G179	F82-V181 HydrophobicContact CD1-CG2 4.38Å; F82-V181 HydrophobicContact CE1-CB 4.46Å; F82-V181 HydrophobicContact CE1-CG2 3.54Å; F82-V181 HydrophobicContact CZ-CG2 4.29Å; E83-V181 PolarHBondContact O-N 3.28Å; Y84-V181 CarbonylContact C-O 3.56Å; Y84-V181 WeakPolarHBondContact CA-O 3.4Å; Y84-V181 WeakPolarHBondContact CB-O 3.48Å; T85-V181 PolarHBondContact N-O 2.94Å; T85-V181 PolarHBondContact OG1-O 3.1Å; F147-V181 HydrophobicContact CB-CG2 4.47Å; F147-V181 HydrophobicContact CD1-CG2 3.65Å; F147-V181 HydrophobicContact CD2-CG2 3.65Å; F147-V181 HydrophobicContact CE1-CB 4.28Å; F147-V181 HydrophobicContact CE1-CG1 4.42Å; F147-V181 HydrophobicContact CE1-CG2 3.68Å; F147-V181 HydrophobicContact CE2-CB 4.41Å; F147-V181 HydrophobicContact CE2-CG1 3.97Å; F147-V181 HydrophobicContact CE2-CG2 3.66Å; F147-V181 HydrophobicContact CG-CG2 3.64Å; F147-V181 HydrophobicContact CZ-CB 4.15Å; F147-V181 HydrophobicContact CZ-CG1 3.81Å; F147-V181 HydrophobicContact CZ-CG2 3.69Å; V154-V181 HydrophobicContact CB-CG1 4.42Å; V154-V181 HydrophobicContact CG2-CG1 3.93Å; L170-V181 HydrophobicContact CD1-CB 4.09Å; L170-V181 HydrophobicContact CD1-CG1 3.7Å; L170-V181 HydrophobicContact CD1-CG2 4.14Å; G179-V181 PolarHBondContact O-N 2.87Å
182	T	96.6	Very high	90.3	Very high	61 Å²	61	47.1 Å²	47.1	37%	0.374	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	118.6	170	-60.2	0	0	0	0	109.8	T85 T87	T85-T182 WeakPolarHBondContact O-CA 3.46Å; T85-T182 PolarHBondContact OG1-OG1 3.34Å; T85-T182 VanDerWaalsContact OG1-OG1 3.12Å; T87-T182 HydrophobicContact CG2-CG2 3.69Å; T87-T182 WeakPolarHBondContact OG1-CG2 3.28Å
183	I	98.4	Very high	90.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	119.6	173.3	-54.8	-179.6	0	0	0	108.4	Y84 T85 V86 T87 V154 L163 T166	Y84-I183 HydrophobicContact CD2-CD1 3.46Å; Y84-I183 VanDerWaalsContact CD2-CD1 3.46Å; Y84-I183 HydrophobicContact CD2-CG1 4Å; Y84-I183 HydrophobicContact CE2-CD1 3.93Å; Y84-I183 HydrophobicContact CG-CD1 3.96Å; T85-I183 PolarHBondContact O-N 3.04Å; V86-I183 WeakPolarHBondContact CA-O 3.38Å; T87-I183 PolarHBondContact N-O 3Å; T87-I183 VanDerWaalsContact N-O 3.1Å; V154-I183 HydrophobicContact CG1-CB 4.49Å; V154-I183 HydrophobicContact CG1-CG1 4.05Å; V154-I183 HydrophobicContact CG1-CG2 4.25Å; L163-I183 HydrophobicContact CD2-CB 4.5Å; L163-I183 HydrophobicContact CD2-CG2 3.8Å; T166-I183 HydrophobicContact CG2-CD1 3.71Å; T166-I183 HydrophobicContact CG2-CG1 4.22Å
184	Q	98.6	Very high	90.5	Very high	59 Å²	59	48 Å²	48	28%	0.276	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	136.3	177.4	-62.7	-178.4	-18.9	0	0	110.7	L89 V154 R155 S156	L89-Q184 HydrophobicContact CD2-CB 4.05Å; V154-Q184 PolarHBondContact O-N 3.05Å; R155-Q184 CarbonylContact C-O 3.29Å; R155-Q184 VanDerWaalsContact CA-O 3.28Å; R155-Q184 WeakPolarHBondContact CA-O 3.26Å; R155-Q184 WeakPolarHBondContact CG-O 3.45Å; S156-Q184 PolarHBondContact N-O 2.94Å
185	T	98.8	Very high	90.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	163.5	177.3	60.2	0	0	0	0	110.1	V86 T87 N88 L89 P95 S156 N158 L163	V86-T185 HydrophobicContact CG1-CG2 3.62Å; T87-T185 PolarHBondContact O-N 3.1Å; T87-T185 PolarHBondContact O-OG1 2.85Å; N88-T185 CarbonylContact C-O 3.49Å; N88-T185 VanDerWaalsContact C-O 3.29Å; N88-T185 WeakPolarHBondContact CA-O 3.44Å; L89-T185 WeakPolarHBondContact CD2-O 3.29Å; L89-T185 WeakPolarHBondContact CG-O 3.49Å; L89-T185 PolarHBondContact N-O 3.18Å; P95-T185 VanDerWaalsContact CD-OG1 3.3Å; P95-T185 WeakPolarHBondContact CD-OG1 3.18Å; S156-T185 WeakPolarHBondContact O-CA 3.29Å; S156-T185 WeakPolarHBondContact O-CG2 3.49Å; N158-T185 HydrophobicContact CB-CG2 4.26Å; L163-T185 HydrophobicContact CD2-CG2 3.83Å
186	D	98.4	Very high	90.9	Very high	29 Å²	29	45 Å²	45	16%	0.155	24%	0.239	C	C	.	.			trans	-119.7	167	174.9	-153.1	-8.8	0	0	0	110.7	L89 R155 S190	L89-D186 HydrophobicContact CD1-CB 3.96Å; L89-D186 VanDerWaalsContact CD1-OD2 3.3Å; L89-D186 WeakPolarHBondContact CD1-OD2 3.42Å; L89-D186 HydrophobicContact CD2-CB 4.45Å; L89-D186 HydrophobicContact CG-CB 4.01Å; R155-D186 IonicContact NH2-OD2 2.93Å; D186-S190 PolarHBondContact OD1-OG 2.85Å; D186-S190 PolarHBondContact OD2-OG 3.29Å
187	E	97.9	Very high	92.1	Very high	115 Å²	115	44.2 Å²	44.2	54%	0.537	23%	0.234	S	C	.	.			trans	-65.6	145.2	169.2	-66.8	-178.3	-163.4	0	0	110.5	P95 I189 S190 E191	P95-E187 HydrophobicContact CB-CG 4.06Å; P95-E187 HydrophobicContact CG-CG 4.35Å; E187-I189 HydrophobicContact CB-CG2 4.28Å; E187-I189 PolarHBondContact O-N 2.92Å; E187-S190 PolarHBondContact O-N 2.91Å; E187-S190 PolarHBondContact O-OG 3.02Å; E187-S190 VanDerWaalsContact O-OG 3.13Å; E187-E191 PolarHBondContact O-N 3.3Å
188	A	97.4	Very high	93	Very high	25 Å²	25	46.7 Å²	46.7	21%	0.207	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-26.5	-176.9	0	0	0	0	0	113.4	P98 Y99 Y194 N196	P98-A188 HydrophobicContact CG-CB 3.66Å; Y99-A188 HydrophobicContact CE2-CB 4.19Å; A188-Y194 WeakPolarHBondContact CA-OH 3.31Å; A188-Y194 PolarHBondContact O-OH 2.02Å; A188-Y194 VanDerWaalsContact O-OH 3.08Å; A188-N196 PolarHBondContact O-ND2 3.33Å
189	I	95.5	Very high	94.5	Very high	89 Å²	89	39.9 Å²	39.9	46%	0.456	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-29.2	178.9	-162.2	67.1	0	0	0	112.8	E187 N196 H198 N199	E187-I189 HydrophobicContact CB-CG2 4.28Å; E187-I189 PolarHBondContact O-N 2.92Å; I189-N196 PolarHBondContact O-ND2 3.18Å; I189-H198 HydrophobicContact CD1-CB 4.42Å; I189-N199 HydrophobicContact CD1-CB 4.29Å; I189-N199 WeakPolarHBondContact O-CB 3.26Å; I189-N199 PolarHBondContact O-ND2 3.15Å; I189-N199 VanDerWaalsContact O-ND2 3.09Å
190	S	96.5	Very high	96	Very high	44 Å²	44	38.4 Å²	38.4	31%	0.308	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-11	178	45.1	0	0	0	0	113.2	D186 E187	D186-S190 PolarHBondContact OD1-OG 2.85Å; D186-S190 PolarHBondContact OD2-OG 3.29Å; E187-S190 PolarHBondContact O-N 2.91Å; E187-S190 PolarHBondContact O-OG 3.02Å; E187-S190 VanDerWaalsContact O-OG 3.13Å
191	E	98.3	Very high	96.7	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	20%	0.201	C	C	.	.			trans	-58.9	137.9	-174.2	-173.4	58.3	-86.9	0	0	113.1	R155 T157 E187 L193 Y194 N196	R155-E191 IonicContact CZ-OE1 2.77Å; R155-E191 IonicContact NE-OE1 2.74Å; R155-E191 IonicContact NH2-OE1 2.67Å; R155-E191 PolarHBondContact NH2-OE1 3.33Å; T157-E191 HydrophobicContact CG2-CG 4.07Å; E187-E191 PolarHBondContact O-N 3.3Å; E191-L193 HydrophobicContact CG-CB 4.3Å; E191-L193 WeakPolarHBondContact OE1-CB 3.48Å; E191-L193 WeakPolarHBondContact OE1-CG 3.37Å; E191-L193 PolarHBondContact OE1-N 3.24Å; E191-Y194 HydrophobicContact CB-CE1 4.06Å; E191-Y194 HydrophobicContact CB-CE2 4.23Å; E191-Y194 WeakPolarHBondContact CB-OH 3.46Å; E191-Y194 HydrophobicContact CG-CD1 3.97Å; E191-Y194 HydrophobicContact CG-CE1 3.45Å; E191-Y194 VanDerWaalsContact CG-CE1 3.45Å; E191-Y194 HydrophobicContact CG-CE2 4.3Å; E191-N196 PolarHBondContact O-ND2 3.1Å
192	I	98.6	Very high	96.9	Very high	34 Å²	34	41 Å²	41	17%	0.174	21%	0.206	C	C	.	.			trans	-119.2	-6.3	-178.7	59.9	167.3	0	0	0	113.1	Y194 P295 F296 M299	I192-Y194 PolarHBondContact O-N 3.12Å; I192-P295 HydrophobicContact CB-CB 4Å; I192-P295 HydrophobicContact CD1-CB 4.27Å; I192-P295 HydrophobicContact CG2-CB 3.74Å; I192-P295 HydrophobicContact CG2-CG 4.44Å; I192-F296 WeakPolarHBondContact O-CB 3.38Å; I192-M299 HydrophobicContact CD1-CE 3.28Å; I192-M299 HydrophobicContact CG1-CE 4.1Å
193	L	98.8	Very high	96.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	-77.3	7.5	176.5	-66.8	-172.9	0	0	0	113.8	R155 T157 E191 F296 Y323 T325 T329	R155-L193 HydrophobicContact CG-CD1 3.9Å; T157-L193 HydrophobicContact CG2-CB 3.46Å; T157-L193 VanDerWaalsContact CG2-CB 3.46Å; T157-L193 HydrophobicContact CG2-CD1 4.17Å; T157-L193 HydrophobicContact CG2-CG 4.43Å; E191-L193 HydrophobicContact CG-CB 4.3Å; E191-L193 WeakPolarHBondContact OE1-CB 3.48Å; E191-L193 WeakPolarHBondContact OE1-CG 3.37Å; E191-L193 PolarHBondContact OE1-N 3.24Å; L193-F296 HydrophobicContact CD2-CD1 4.01Å; L193-F296 HydrophobicContact CD2-CD2 3.56Å; L193-F296 HydrophobicContact CD2-CE1 3.88Å; L193-F296 HydrophobicContact CD2-CE2 3.39Å; L193-F296 HydrophobicContact CD2-CG 3.9Å; L193-F296 HydrophobicContact CD2-CZ 3.57Å; L193-Y323 HydrophobicContact CD2-CD1 4.24Å; L193-T325 HydrophobicContact CB-CG2 4.11Å; L193-T325 HydrophobicContact CD1-CG2 4.44Å; L193-T325 HydrophobicContact CD2-CG2 4.07Å; L193-T325 HydrophobicContact CG-CG2 4.43Å; L193-T329 WeakPolarHBondContact O-CB 3.1Å; L193-T329 VanDerWaalsContact O-CG2 3.23Å; L193-T329 WeakPolarHBondContact O-CG2 3.44Å; L193-T329 PolarHBondContact O-OG1 2.86Å
194	Y	98.6	Very high	96.7	Very high	19 Å²	19	42.6 Å²	42.6	8%	0.075	21%	0.205	C	C	.	.	S	Bend	trans	-151	160.1	164.3	50.3	-108.7	0	0	0	110.8	Y99 T157 A188 E191 I192 N196 H326 T329	Y99-Y194 HydrophobicContact CE2-CE1 4.4Å; T157-Y194 HydrophobicContact CG2-CD1 3.74Å; T157-Y194 HydrophobicContact CG2-CE1 3.94Å; A188-Y194 WeakPolarHBondContact CA-OH 3.31Å; A188-Y194 PolarHBondContact O-OH 2.02Å; A188-Y194 VanDerWaalsContact O-OH 3.08Å; E191-Y194 HydrophobicContact CB-CE1 4.06Å; E191-Y194 HydrophobicContact CB-CE2 4.23Å; E191-Y194 WeakPolarHBondContact CB-OH 3.46Å; E191-Y194 HydrophobicContact CG-CD1 3.97Å; E191-Y194 HydrophobicContact CG-CE1 3.45Å; E191-Y194 VanDerWaalsContact CG-CE1 3.45Å; E191-Y194 HydrophobicContact CG-CE2 4.3Å; I192-Y194 PolarHBondContact O-N 3.12Å; Y194-N196 HydrophobicContact CD2-CB 4.41Å; Y194-N196 HydrophobicContact CE2-CB 4.25Å; Y194-N196 PolarHBondContact O-N 3.36Å; Y194-H326 AromaticContact CD1-CD2 3.73Å; Y194-H326 AromaticContact CD1-NE2 3.85Å; Y194-T329 WeakPolarHBondContact CA-OG1 3.38Å
195	P	98.3	Very high	96.5	Very high	9 Å²	9	42.5 Å²	42.5	6%	0.058	20%	0.204	C	C	.	.			trans	-59.2	106.7	171.8	-24.4	35.6	0	0	0	111.8	Y197 L203 A292 V293 V328 P332	P195-Y197 HydrophobicContact CB-CD2 4.47Å; P195-Y197 HydrophobicContact CB-CE2 3.82Å; P195-Y197 VanDerWaalsContact O-CD2 3.27Å; P195-Y197 WeakPolarHBondContact O-CD2 3.12Å; P195-Y197 PolarHBondContact O-N 3.48Å; P195-Y197 VanDerWaalsContact O-N 3.13Å; P195-L203 HydrophobicContact CB-CD2 4.34Å; P195-A292 VanDerWaalsContact CA-O 3.31Å; P195-A292 WeakPolarHBondContact CA-O 3.28Å; P195-A292 HydrophobicContact CB-CB 3.86Å; P195-A292 HydrophobicContact CG-CB 3.9Å; P195-V293 HydrophobicContact CG-CG1 4.49Å; P195-V328 WeakPolarHBondContact CD-O 3.44Å; P195-V328 VanDerWaalsContact CG-O 3.32Å; P195-V328 WeakPolarHBondContact CG-O 3.44Å; P195-P332 HydrophobicContact CG-CG 4.42Å
196	N	97.5	Very high	96.3	Very high	2 Å²	2	46 Å²	46	1%	0.011	22%	0.219	C	C	.	.			trans	-89	81.2	-171.8	-162.3	-31	0	0	0	111.9	A188 I189 E191 Y194 H198 N199 C200	A188-N196 PolarHBondContact O-ND2 3.33Å; I189-N196 PolarHBondContact O-ND2 3.18Å; E191-N196 PolarHBondContact O-ND2 3.1Å; Y194-N196 HydrophobicContact CD2-CB 4.41Å; Y194-N196 HydrophobicContact CE2-CB 4.25Å; Y194-N196 PolarHBondContact O-N 3.36Å; N196-H198 PolarHBondContact O-N 2.95Å; N196-H198 PolarHBondContact OD1-N 3.02Å; N196-N199 HydrophobicContact CB-CB 4.29Å; N196-N199 PolarHBondContact O-N 2.99Å; N196-N199 WeakPolarHBondContact OD1-CB 2.97Å; N196-N199 PolarHBondContact OD1-N 3.17Å; N196-C200 WeakPolarHBondContact O-CB 3.38Å; N196-C200 PolarHBondContact O-N 3.08Å
197	Y	95.3	Very high	96.1	Very high	54 Å²	54	44.6 Å²	44.6	21%	0.212	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-15.1	177.6	-60.2	-80.8	0	0	0	114	P195 L203 R204 T207 K211	P195-Y197 HydrophobicContact CB-CD2 4.47Å; P195-Y197 HydrophobicContact CB-CE2 3.82Å; P195-Y197 VanDerWaalsContact O-CD2 3.27Å; P195-Y197 WeakPolarHBondContact O-CD2 3.12Å; P195-Y197 PolarHBondContact O-N 3.48Å; P195-Y197 VanDerWaalsContact O-N 3.13Å; Y197-L203 HydrophobicContact CD1-CD2 3.96Å; Y197-L203 HydrophobicContact CD1-CG 3.71Å; Y197-L203 HydrophobicContact CE1-CD1 4.04Å; Y197-L203 HydrophobicContact CE1-CD2 3.86Å; Y197-L203 HydrophobicContact CE1-CG 3.58Å; Y197-R204 WeakPolarHBondContact O-CB 2.96Å; Y197-R204 WeakPolarHBondContact O-CD 3.12Å; Y197-T207 HydrophobicContact CE1-CG2 4.03Å; Y197-T207 VanDerWaalsContact CE1-OG1 3.27Å; Y197-T207 WeakPolarHBondContact CE1-OG1 3.18Å; Y197-K211 VanDerWaalsContact CE1-NZ 3.26Å
198	H	91.9	Very high	95.9	Very high	133 Å²	133	45.2 Å²	45.2	62%	0.616	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-46.5	176	-67.5	-73.7	0	0	0	111	I189 N196	I189-H198 HydrophobicContact CD1-CB 4.42Å; N196-H198 PolarHBondContact O-N 2.95Å; N196-H198 PolarHBondContact OD1-N 3.02Å
199	N	92.9	Very high	95.7	Very high	70 Å²	70	46 Å²	46	37%	0.374	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-39.8	-179.6	-170.5	30.1	0	0	0	112.5	I189 N196 W201	I189-N199 HydrophobicContact CD1-CB 4.29Å; I189-N199 WeakPolarHBondContact O-CB 3.26Å; I189-N199 PolarHBondContact O-ND2 3.15Å; I189-N199 VanDerWaalsContact O-ND2 3.09Å; N196-N199 HydrophobicContact CB-CB 4.29Å; N196-N199 PolarHBondContact O-N 2.99Å; N196-N199 WeakPolarHBondContact OD1-CB 2.97Å; N196-N199 PolarHBondContact OD1-N 3.17Å; N199-W201 PolarHBondContact O-N 3.41Å
200	C	96.4	Very high	95.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.208	C	C	.	.			trans	-92	92.8	-179.9	-164.2	0	0	0	0	112	N196 V202 L203 R204 M291 Y404 C408	N196-C200 WeakPolarHBondContact O-CB 3.38Å; N196-C200 PolarHBondContact O-N 3.08Å; C200-V202 PolarHBondContact O-N 2.81Å; C200-L203 HydrophobicContact CB-CB 3.88Å; C200-L203 HydrophobicContact CB-CD2 4.48Å; C200-L203 PolarHBondContact O-N 3.41Å; C200-L203 VanDerWaalsContact SG-CB 3.56Å; C200-R204 PolarHBondContact O-N 2.93Å; C200-R204 VanDerWaalsContact O-N 3.08Å; C200-M291 VanDerWaalsContact SG-SD 3.61Å; C200-Y404 HydrophobicContact CB-CE2 4.45Å; C200-Y404 WeakPolarHBondContact CB-OH 3.41Å; C200-C408 HydrophobicContact CB-CB 3.85Å; C200-C408 WeakPolarHBondContact CB-SG 3.45Å; C200-C408 WeakPolarHBondContact SG-CB 3.34Å; C200-C408 CovalentContact SG-SG 2.04Å; C200-C408 PolarHBondContact SG-SG 3.09Å
201	W	94.1	Very high	95.4	Very high	99 Å²	99	46.1 Å²	46.1	38%	0.375	21%	0.21	S	C	.	.	H	α-helix	trans	-58.8	-45.4	-179.6	-180	98.4	0	0	0	112.3	N199 L203 R204 E205 A411	N199-W201 PolarHBondContact O-N 3.41Å; W201-L203 PolarHBondContact O-N 2.84Å; W201-R204 WeakPolarHBondContact O-CA 3.47Å; W201-R204 WeakPolarHBondContact O-CB 3.41Å; W201-R204 PolarHBondContact O-N 3.45Å; W201-R204 VanDerWaalsContact O-N 3.1Å; W201-E205 HydrophobicContact CD2-CG 3.83Å; W201-E205 VanDerWaalsContact CE2-CG 3.48Å; W201-E205 HydrophobicContact CE3-CG 4.12Å; W201-E205 HydrophobicContact CH2-CB 4.4Å; W201-E205 HydrophobicContact CH2-CG 3.78Å; W201-E205 HydrophobicContact CZ2-CG 3.5Å; W201-E205 VanDerWaalsContact CZ2-CG 3.5Å; W201-E205 HydrophobicContact CZ3-CB 4.43Å; W201-E205 HydrophobicContact CZ3-CG 4.06Å; W201-E205 PolarHBondContact O-N 3.14Å; W201-A411 HydrophobicContact CE3-CB 3.75Å; W201-A411 HydrophobicContact CH2-CB 3.42Å; W201-A411 VanDerWaalsContact CH2-CB 3.42Å; W201-A411 HydrophobicContact CZ2-CB 4.28Å; W201-A411 HydrophobicContact CZ3-CB 3.11Å
202	V	95.7	Very high	95.1	Very high	18 Å²	18	52.6 Å²	52.6	11%	0.109	24%	0.239	C	C	.	.	H	α-helix	trans	-63	-44.4	-177.8	178.5	0	0	0	0	111.2	C200 R204 E205 K206 M291 L407	C200-V202 PolarHBondContact O-N 2.81Å; V202-R204 VanDerWaalsContact C-N 3.28Å; V202-R204 PolarHBondContact O-N 2.89Å; V202-E205 PolarHBondContact O-N 3.46Å; V202-K206 HydrophobicContact CG1-CD 3.86Å; V202-K206 HydrophobicContact CG1-CG 4.23Å; V202-K206 WeakPolarHBondContact O-CB 3.49Å; V202-K206 WeakPolarHBondContact O-CG 3.49Å; V202-K206 PolarHBondContact O-N 2.7Å; V202-M291 HydrophobicContact CB-CE 4.5Å; V202-M291 HydrophobicContact CB-SD 3.92Å; V202-M291 HydrophobicContact CG1-CE 3.93Å; V202-M291 HydrophobicContact CG1-SD 3.92Å; V202-L407 WeakPolarHBondContact CB-O 3.26Å; V202-L407 WeakPolarHBondContact CG2-O 2.73Å
203	L	96.3	Very high	94.9	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59.3	-41.2	174.4	177	63	0	0	0	111.5	P195 Y197 C200 W201 T207 M291 A292	P195-L203 HydrophobicContact CB-CD2 4.34Å; Y197-L203 HydrophobicContact CD1-CD2 3.96Å; Y197-L203 HydrophobicContact CD1-CG 3.71Å; Y197-L203 HydrophobicContact CE1-CD1 4.04Å; Y197-L203 HydrophobicContact CE1-CD2 3.86Å; Y197-L203 HydrophobicContact CE1-CG 3.58Å; C200-L203 HydrophobicContact CB-CB 3.88Å; C200-L203 HydrophobicContact CB-CD2 4.48Å; C200-L203 PolarHBondContact O-N 3.41Å; C200-L203 VanDerWaalsContact SG-CB 3.56Å; W201-L203 PolarHBondContact O-N 2.84Å; L203-T207 HydrophobicContact CD1-CG2 4.09Å; L203-T207 WeakPolarHBondContact O-CB 3.2Å; L203-T207 WeakPolarHBondContact O-CG2 3.47Å; L203-T207 PolarHBondContact O-N 3.08Å; L203-T207 VanDerWaalsContact O-N 3.14Å; L203-T207 PolarHBondContact O-OG1 3.3Å; L203-M291 HydrophobicContact CB-CB 3.98Å; L203-M291 HydrophobicContact CB-CE 4.35Å; L203-M291 HydrophobicContact CB-SD 4.18Å; L203-M291 HydrophobicContact CD1-CB 4.25Å; L203-M291 HydrophobicContact CD2-CB 4.26Å; L203-M291 HydrophobicContact CG-CB 4.37Å; L203-A292 HydrophobicContact CD2-CB 4.34Å
204	R	95.8	Very high	94.7	Very high	95 Å²	95	53.5 Å²	53.5	36%	0.358	25%	0.246	S	C	.	.	H	α-helix	trans	-61.5	-51.7	175.7	-174	178.4	67.1	-153.8	7.1	111.3	Y197 C200 W201 V202 T207 R208	Y197-R204 WeakPolarHBondContact O-CB 2.96Å; Y197-R204 WeakPolarHBondContact O-CD 3.12Å; C200-R204 PolarHBondContact O-N 2.93Å; C200-R204 VanDerWaalsContact O-N 3.08Å; W201-R204 WeakPolarHBondContact O-CA 3.47Å; W201-R204 WeakPolarHBondContact O-CB 3.41Å; W201-R204 PolarHBondContact O-N 3.45Å; W201-R204 VanDerWaalsContact O-N 3.1Å; V202-R204 VanDerWaalsContact C-N 3.28Å; V202-R204 PolarHBondContact O-N 2.89Å; R204-T207 PolarHBondContact O-N 2.9Å; R204-T207 PolarHBondContact O-OG1 3.15Å; R204-R208 VanDerWaalsContact O-CB 3.26Å; R204-R208 WeakPolarHBondContact O-CB 3.42Å; R204-R208 PolarHBondContact O-N 3.22Å
205	E	94.5	Very high	94.4	Very high	56 Å²	56	55.7 Å²	55.7	26%	0.262	26%	0.259	S	S	.	.	H	α-helix	trans	-66.2	-43	-177.5	-65.6	-45.3	118.5	0	0	112.2	W201 V202 T207 R208	W201-E205 HydrophobicContact CD2-CG 3.83Å; W201-E205 VanDerWaalsContact CE2-CG 3.48Å; W201-E205 HydrophobicContact CE3-CG 4.12Å; W201-E205 HydrophobicContact CH2-CB 4.4Å; W201-E205 HydrophobicContact CH2-CG 3.78Å; W201-E205 HydrophobicContact CZ2-CG 3.5Å; W201-E205 VanDerWaalsContact CZ2-CG 3.5Å; W201-E205 HydrophobicContact CZ3-CB 4.43Å; W201-E205 HydrophobicContact CZ3-CG 4.06Å; W201-E205 PolarHBondContact O-N 3.14Å; V202-E205 PolarHBondContact O-N 3.46Å; E205-T207 PolarHBondContact O-N 3.45Å; E205-R208 PolarHBondContact O-N 3.28Å; E205-R208 WeakPolarHBondContact OE2-CD 3.21Å; E205-R208 IonicContact OE2-NH1 3.74Å; E205-R208 PolarHBondContact OE2-NH1 2.91Å
206	K	93.6	Very high	94.3	Very high	73 Å²	73	61 Å²	61	32%	0.317	29%	0.285	S	S	.	.	H	α-helix	trans	-58.4	-35.4	175.8	-73	-178.6	79.2	138.4	0	112.6	V202 E287 M291	V202-K206 HydrophobicContact CG1-CD 3.86Å; V202-K206 HydrophobicContact CG1-CG 4.23Å; V202-K206 WeakPolarHBondContact O-CB 3.49Å; V202-K206 WeakPolarHBondContact O-CG 3.49Å; V202-K206 PolarHBondContact O-N 2.7Å; K206-E287 VanDerWaalsContact NZ-CD 3.34Å; K206-E287 IonicContact NZ-OE1 3.64Å; K206-E287 PolarHBondContact NZ-OE1 3.46Å; K206-E287 IonicContact NZ-OE2 3.24Å; K206-M291 HydrophobicContact CD-CE 3.87Å
207	T	94.8	Very high	94.3	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-92.9	-14.6	-179.4	60.8	0	0	0	0	113.8	Y197 L203 R204 E205 G209 R210 K211 V280	Y197-T207 HydrophobicContact CE1-CG2 4.03Å; Y197-T207 VanDerWaalsContact CE1-OG1 3.27Å; Y197-T207 WeakPolarHBondContact CE1-OG1 3.18Å; L203-T207 HydrophobicContact CD1-CG2 4.09Å; L203-T207 WeakPolarHBondContact O-CB 3.2Å; L203-T207 WeakPolarHBondContact O-CG2 3.47Å; L203-T207 PolarHBondContact O-N 3.08Å; L203-T207 VanDerWaalsContact O-N 3.14Å; L203-T207 PolarHBondContact O-OG1 3.3Å; R204-T207 PolarHBondContact O-N 2.9Å; R204-T207 PolarHBondContact O-OG1 3.15Å; E205-T207 PolarHBondContact O-N 3.45Å; T207-G209 PolarHBondContact O-N 2.79Å; T207-R210 PolarHBondContact O-N 3.41Å; T207-K211 WeakPolarHBondContact O-CB 3.25Å; T207-K211 VanDerWaalsContact O-CG 3.28Å; T207-K211 WeakPolarHBondContact O-CG 3.19Å; T207-K211 PolarHBondContact O-N 3.35Å; T207-V280 HydrophobicContact CG2-CG1 4.39Å
208	R	93.6	Very high	94.3	Very high	128 Å²	128	65.6 Å²	65.6	48%	0.483	32%	0.318	S	S	.	.	H	α-helix	trans	-62.6	-47.3	-173.4	-176.8	179.2	-177.9	-164	-1.1	112.7	R204 E205 K212	R204-R208 VanDerWaalsContact O-CB 3.26Å; R204-R208 WeakPolarHBondContact O-CB 3.42Å; R204-R208 PolarHBondContact O-N 3.22Å; E205-R208 PolarHBondContact O-N 3.28Å; E205-R208 WeakPolarHBondContact OE2-CD 3.21Å; E205-R208 IonicContact OE2-NH1 3.74Å; E205-R208 PolarHBondContact OE2-NH1 2.91Å; R208-K212 WeakPolarHBondContact O-CG 3.35Å; R208-K212 PolarHBondContact O-N 3.26Å
209	G	92.3	Very high	94.5	Very high	42 Å²	42	60.2 Å²	60.2	43%	0.433	30%	0.299	S	S	.	.	H	α-helix	trans	-60.5	-50.5	177.1	0	0	0	0	0	111.1	T207 K211 K212 T213	T207-G209 PolarHBondContact O-N 2.79Å; G209-K211 PolarHBondContact O-N 3.35Å; G209-K212 WeakPolarHBondContact O-CB 3.37Å; G209-K212 PolarHBondContact O-N 3.42Å; G209-K212 VanDerWaalsContact O-N 3.09Å; G209-T213 PolarHBondContact O-N 2.77Å; G209-T213 VanDerWaalsContact O-N 3.09Å; G209-T213 PolarHBondContact O-OG1 3.48Å
210	R	94.3	Very high	94.7	Very high	51 Å²	51	57.2 Å²	57.2	19%	0.192	28%	0.283	C	S	.	.	H	α-helix	trans	-60.3	-43.2	178.8	-60.8	-168.6	-68.8	-123.9	4.1	112.3	T207 K212 T213 A214 Y279 V280 H282 D285	T207-R210 PolarHBondContact O-N 3.41Å; R210-K212 VanDerWaalsContact C-N 3.27Å; R210-K212 PolarHBondContact O-N 3.37Å; R210-T213 PolarHBondContact O-N 2.95Å; R210-T213 PolarHBondContact O-OG1 3.34Å; R210-A214 WeakPolarHBondContact O-CA 3.48Å; R210-A214 VanDerWaalsContact O-CB 3.3Å; R210-A214 WeakPolarHBondContact O-CB 3.34Å; R210-A214 PolarHBondContact O-N 3.22Å; R210-Y279 HydrophobicContact CB-CD1 4.19Å; R210-Y279 HydrophobicContact CB-CE1 3.86Å; R210-Y279 WeakPolarHBondContact CD-O 3.23Å; R210-Y279 HydrophobicContact CG-CE1 4.35Å; R210-Y279 WeakPolarHBondContact O-CE1 3.45Å; R210-V280 PolarHBondContact NE-O 3.45Å; R210-V280 PolarHBondContact NH2-O 2.93Å; R210-H282 WeakPolarHBondContact CD-NE2 3.49Å; R210-D285 IonicContact CZ-OD2 3.46Å; R210-D285 IonicContact NH1-OD2 2.74Å; R210-D285 PolarHBondContact NH1-OD2 3.32Å; R210-D285 IonicContact NH2-OD2 3.35Å; R210-D285 PolarHBondContact NH2-OD2 3.44Å
211	K	92.9	Very high	94.7	Very high	84 Å²	84	58.6 Å²	58.6	37%	0.365	29%	0.294	S	S	.	.	H	α-helix	trans	-57.3	-38.8	174.6	-77.8	174.4	178.4	172.9	0	112.7	Y197 T207 G209 V280	Y197-K211 VanDerWaalsContact CE1-NZ 3.26Å; T207-K211 WeakPolarHBondContact O-CB 3.25Å; T207-K211 VanDerWaalsContact O-CG 3.28Å; T207-K211 WeakPolarHBondContact O-CG 3.19Å; T207-K211 PolarHBondContact O-N 3.35Å; G209-K211 PolarHBondContact O-N 3.35Å; K211-V280 HydrophobicContact CB-CG2 4.38Å; K211-V280 HydrophobicContact CD-CG1 4.19Å; K211-V280 HydrophobicContact CG-CB 4.28Å; K211-V280 HydrophobicContact CG-CG1 3.52Å; K211-V280 HydrophobicContact CG-CG2 3.7Å
212	K	90.8	Very high	94.9	Very high	138 Å²	138	59.1 Å²	59.1	60%	0.6	30%	0.301	S	S	*	.	H	α-helix	trans	-70.6	-38	177.7	-71	178.2	177.2	-175.1	0	112.5	R208 G209 R210	R208-K212 WeakPolarHBondContact O-CG 3.35Å; R208-K212 PolarHBondContact O-N 3.26Å; G209-K212 WeakPolarHBondContact O-CB 3.37Å; G209-K212 PolarHBondContact O-N 3.42Å; G209-K212 VanDerWaalsContact O-N 3.09Å; R210-K212 VanDerWaalsContact C-N 3.27Å; R210-K212 PolarHBondContact O-N 3.37Å
213	T	95.3	Very high	95	Very high	51 Å²	51	60 Å²	60	31%	0.313	31%	0.305	S	S	.	.	H	α-helix	trans	-94	-6.3	-175.1	58.5	0	0	0	0	113.9	G209 R210 I215 L216 Q217 Y279	G209-T213 PolarHBondContact O-N 2.77Å; G209-T213 VanDerWaalsContact O-N 3.09Å; G209-T213 PolarHBondContact O-OG1 3.48Å; R210-T213 PolarHBondContact O-N 2.95Å; R210-T213 PolarHBondContact O-OG1 3.34Å; T213-I215 PolarHBondContact O-N 2.82Å; T213-L216 WeakPolarHBondContact O-CA 3.39Å; T213-L216 WeakPolarHBondContact O-CB 3.35Å; T213-L216 PolarHBondContact O-N 3.25Å; T213-Q217 PolarHBondContact O-N 3.47Å; T213-Q217 PolarHBondContact O-NE2 2.98Å; T213-Y279 PolarHBondContact OG1-OH 3.19Å; T213-Y279 VanDerWaalsContact OG1-OH 3.06Å
214	A	94.6	Very high	95.1	Very high	2 Å²	2	60.4 Å²	60.4	2%	0.017	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-59.5	-43.7	-176.2	0	0	0	0	0	112.5	R210 L216 Q217 T276 Y279 V280	R210-A214 WeakPolarHBondContact O-CA 3.48Å; R210-A214 VanDerWaalsContact O-CB 3.3Å; R210-A214 WeakPolarHBondContact O-CB 3.34Å; R210-A214 PolarHBondContact O-N 3.22Å; A214-L216 PolarHBondContact O-N 3.11Å; A214-Q217 WeakPolarHBondContact O-CG 3.3Å; A214-Q217 PolarHBondContact O-N 2.94Å; A214-T276 HydrophobicContact CB-CG2 3.73Å; A214-Y279 HydrophobicContact CB-CD1 3.63Å; A214-Y279 HydrophobicContact CB-CE1 4.15Å; A214-V280 HydrophobicContact CB-CG2 4.06Å
215	I	92.8	Very high	95.1	Very high	65 Å²	65	60.7 Å²	60.7	33%	0.333	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-69.2	-14.6	177.8	65.9	172.8	0	0	0	113.3	T213 A221 L224 D240	T213-I215 PolarHBondContact O-N 2.82Å; I215-A221 WeakPolarHBondContact O-CA 3.46Å; I215-A221 WeakPolarHBondContact O-CB 3.45Å; I215-L224 HydrophobicContact CB-CD2 4.22Å; I215-L224 HydrophobicContact CG2-CD2 4.45Å; I215-D240 HydrophobicContact CG2-CB 3.87Å
216	L	94.8	Very high	95.3	Very high	119 Å²	119	63.7 Å²	63.7	62%	0.623	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-97.7	1.1	-179.9	-54.2	178.5	0	0	0	112.2	T213 A214	T213-L216 WeakPolarHBondContact O-CA 3.39Å; T213-L216 WeakPolarHBondContact O-CB 3.35Å; T213-L216 PolarHBondContact O-N 3.25Å; A214-L216 PolarHBondContact O-N 3.11Å
217	Q	97	Very high	95.5	Very high	47 Å²	47	60.3 Å²	60.3	22%	0.22	31%	0.31	C	S	.	.	S	Bend	trans	-69.6	144.5	-179.5	-64.8	-51.3	-69.9	0	0	111.2	T213 A214 G219 I220 A221 Y279	T213-Q217 PolarHBondContact O-N 3.47Å; T213-Q217 PolarHBondContact O-NE2 2.98Å; A214-Q217 WeakPolarHBondContact O-CG 3.3Å; A214-Q217 PolarHBondContact O-N 2.94Å; Q217-G219 PolarHBondContact O-N 3.06Å; Q217-I220 HydrophobicContact CB-CB 4.33Å; Q217-I220 HydrophobicContact CB-CD1 4.04Å; Q217-I220 HydrophobicContact CB-CG1 4.24Å; Q217-I220 WeakPolarHBondContact O-CB 3.48Å; Q217-I220 PolarHBondContact O-N 3.41Å; Q217-A221 PolarHBondContact O-N 2.96Å; Q217-Y279 HydrophobicContact CG-CD1 4.08Å; Q217-Y279 HydrophobicContact CG-CD2 3.73Å; Q217-Y279 HydrophobicContact CG-CE1 3.95Å; Q217-Y279 HydrophobicContact CG-CE2 3.6Å; Q217-Y279 HydrophobicContact CG-CG 3.97Å; Q217-Y279 PolarHBondContact NE2-OH 2.97Å; Q217-Y279 VanDerWaalsContact NE2-OH 3.08Å
218	P	96.1	Very high	95.6	Very high	106 Å²	106	60.7 Å²	60.7	69%	0.688	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	137.8	175.3	-23.8	33.3	0	0	0	111.9	I220	P218-I220 PolarHBondContact O-N 2.84Å
219	G	95.4	Very high	95.8	Very high	21 Å²	21	58.4 Å²	58.4	22%	0.216	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	-42.8	-171.1	0	0	0	0	0	113.5	Q217 E222 D223 R272	Q217-G219 PolarHBondContact O-N 3.06Å; G219-E222 WeakPolarHBondContact CA-OE2 3.13Å; G219-E222 PolarHBondContact N-OE2 3.3Å; G219-D223 WeakPolarHBondContact O-CB 3.11Å; G219-D223 PolarHBondContact O-N 2.81Å; G219-R272 VanDerWaalsContact C-CZ 3.49Å; G219-R272 VanDerWaalsContact O-CZ 3.28Å; G219-R272 PolarHBondContact O-NE 2.84Å; G219-R272 PolarHBondContact O-NH2 2.9Å
220	I	97.3	Very high	96	Very high	7 Å²	7	58.6 Å²	58.6	4%	0.036	32%	0.315	C	S	.	.	H	α-helix	trans	-71.4	-48.7	179.1	-57.9	-173.2	0	0	0	109.7	Q217 P218 E222 D223 L224 F241 E275	Q217-I220 HydrophobicContact CB-CB 4.33Å; Q217-I220 HydrophobicContact CB-CD1 4.04Å; Q217-I220 HydrophobicContact CB-CG1 4.24Å; Q217-I220 WeakPolarHBondContact O-CB 3.48Å; Q217-I220 PolarHBondContact O-N 3.41Å; P218-I220 PolarHBondContact O-N 2.84Å; I220-E222 PolarHBondContact O-N 2.84Å; I220-D223 PolarHBondContact O-N 3.12Å; I220-L224 VanDerWaalsContact O-CB 3.28Å; I220-L224 WeakPolarHBondContact O-CB 3.41Å; I220-L224 PolarHBondContact O-N 2.91Å; I220-F241 HydrophobicContact CG2-CD2 3.75Å; I220-F241 HydrophobicContact CG2-CE2 3.65Å; I220-F241 WeakPolarHBondContact O-CE2 3.28Å; I220-E275 HydrophobicContact CD1-CB 4.22Å
221	A	97.3	Very high	96.1	Very high	28 Å²	28	57.2 Å²	57.2	23%	0.231	31%	0.312	C	S	.	.	H	α-helix	trans	-61.3	-46.6	-177.7	0	0	0	0	0	112.1	I215 Q217 L224 E225	I215-A221 WeakPolarHBondContact O-CA 3.46Å; I215-A221 WeakPolarHBondContact O-CB 3.45Å; Q217-A221 PolarHBondContact O-N 2.96Å; A221-L224 PolarHBondContact O-N 3.19Å; A221-E225 WeakPolarHBondContact O-CG 3.47Å; A221-E225 PolarHBondContact O-N 3.32Å
222	E	97.4	Very high	96.2	Very high	111 Å²	111	56 Å²	56	52%	0.519	32%	0.323	S	S	.	.	H	α-helix	trans	-66.4	-42.1	-177.5	-60.6	83.5	170.5	0	0	111.7	G219 I220 K226	G219-E222 WeakPolarHBondContact CA-OE2 3.13Å; G219-E222 PolarHBondContact N-OE2 3.3Å; I220-E222 PolarHBondContact O-N 2.84Å; E222-K226 VanDerWaalsContact O-CB 3.31Å; E222-K226 WeakPolarHBondContact O-CB 3.49Å; E222-K226 PolarHBondContact O-N 3.12Å
223	D	98.1	Very high	96.5	Very high	36 Å²	36	49.8 Å²	49.8	19%	0.193	30%	0.296	C	S	.	.	H	α-helix	trans	-69.9	-34.9	175.7	-79.4	-21.3	0	0	0	111.5	G219 I220 K226 V227 F241 V268 R272	G219-D223 WeakPolarHBondContact O-CB 3.11Å; G219-D223 PolarHBondContact O-N 2.81Å; I220-D223 PolarHBondContact O-N 3.12Å; D223-K226 PolarHBondContact O-N 2.92Å; D223-V227 WeakPolarHBondContact O-CB 3.45Å; D223-V227 WeakPolarHBondContact O-CG2 3.1Å; D223-V227 PolarHBondContact O-N 3.49Å; D223-F241 HydrophobicContact CB-CZ 3.89Å; D223-V268 HydrophobicContact CB-CG1 4.22Å; D223-R272 HydrophobicContact CB-CG 4.25Å; D223-R272 IonicContact OD2-CZ 2.7Å; D223-R272 IonicContact OD2-NE 3.25Å; D223-R272 PolarHBondContact OD2-NE 3.13Å; D223-R272 IonicContact OD2-NH2 2.86Å; D223-R272 PolarHBondContact OD2-NH2 3.07Å
224	L	97.9	Very high	96.4	Very high	9 Å²	9	51.3 Å²	51.3	5%	0.047	30%	0.302	C	S	.	.	H	α-helix	trans	-63.5	-48.5	177.6	-175.6	59	0	0	0	110.5	I215 I220 A221 K226 V227 K228 F241 L244	I215-L224 HydrophobicContact CB-CD2 4.22Å; I215-L224 HydrophobicContact CG2-CD2 4.45Å; I220-L224 VanDerWaalsContact O-CB 3.28Å; I220-L224 WeakPolarHBondContact O-CB 3.41Å; I220-L224 PolarHBondContact O-N 2.91Å; A221-L224 PolarHBondContact O-N 3.19Å; L224-K226 VanDerWaalsContact C-N 3.35Å; L224-K226 PolarHBondContact O-N 2.92Å; L224-V227 PolarHBondContact O-N 3.23Å; L224-K228 HydrophobicContact CD1-CD 4.37Å; L224-K228 HydrophobicContact CD1-CG 4.34Å; L224-K228 HydrophobicContact CG-CD 4.16Å; L224-K228 WeakPolarHBondContact O-CB 3.07Å; L224-K228 VanDerWaalsContact O-CG 3.32Å; L224-K228 WeakPolarHBondContact O-CG 3.3Å; L224-K228 PolarHBondContact O-N 3.17Å; L224-F241 HydrophobicContact CB-CD2 4.43Å; L224-F241 HydrophobicContact CB-CE2 3.63Å; L224-F241 HydrophobicContact CB-CZ 3.87Å; L224-F241 HydrophobicContact CD1-CD2 4.24Å; L224-F241 HydrophobicContact CD1-CE1 4.45Å; L224-F241 HydrophobicContact CD1-CE2 4.11Å; L224-F241 HydrophobicContact CD1-CG 4.48Å; L224-F241 HydrophobicContact CD1-CZ 4.23Å; L224-F241 HydrophobicContact CG-CE2 4.38Å; L224-L244 HydrophobicContact CD1-CD1 3.71Å
225	E	97.2	Very high	96.2	Very high	100 Å²	100	55.1 Å²	55.1	47%	0.467	33%	0.329	S	S	.	.	H	α-helix	trans	-59.8	-44.8	176	-73.2	-55.7	134.9	0	0	111.6	A221 V227 K228 A229	A221-E225 WeakPolarHBondContact O-CG 3.47Å; A221-E225 PolarHBondContact O-N 3.32Å; E225-V227 PolarHBondContact O-N 3.39Å; E225-K228 PolarHBondContact O-N 2.79Å; E225-A229 VanDerWaalsContact O-CB 3.32Å; E225-A229 WeakPolarHBondContact O-CB 3.46Å; E225-A229 PolarHBondContact O-N 3.37Å
226	K	97.8	Very high	96.2	Very high	120 Å²	120	58.4 Å²	58.4	52%	0.522	35%	0.347	S	S	.	.	H	α-helix	trans	-61.6	-41.6	177.5	-176.3	178.3	-179.5	179.1	0	112.7	E222 D223 L224 S230 F265	E222-K226 VanDerWaalsContact O-CB 3.31Å; E222-K226 WeakPolarHBondContact O-CB 3.49Å; E222-K226 PolarHBondContact O-N 3.12Å; D223-K226 PolarHBondContact O-N 2.92Å; L224-K226 VanDerWaalsContact C-N 3.35Å; L224-K226 PolarHBondContact O-N 2.92Å; K226-S230 WeakPolarHBondContact O-CB 3.35Å; K226-S230 PolarHBondContact O-N 3Å; K226-S230 VanDerWaalsContact O-N 3.09Å; K226-S230 PolarHBondContact O-OG 2.77Å; K226-F265 HydrophobicContact CD-CE1 4.47Å; K226-F265 HydrophobicContact CG-CZ 4.26Å
227	V	97.9	Very high	96.1	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.006	33%	0.332	C	S	.	.	H	α-helix	trans	-68.1	-48.9	177.4	172.2	0	0	0	0	110.1	D223 L224 E225 A229 S230 V231 F241 L244 F265 I269	D223-V227 WeakPolarHBondContact O-CB 3.45Å; D223-V227 WeakPolarHBondContact O-CG2 3.1Å; D223-V227 PolarHBondContact O-N 3.49Å; L224-V227 PolarHBondContact O-N 3.23Å; E225-V227 PolarHBondContact O-N 3.39Å; V227-A229 PolarHBondContact O-N 2.9Å; V227-S230 PolarHBondContact O-N 2.87Å; V227-S230 VanDerWaalsContact O-N 3.16Å; V227-V231 HydrophobicContact CG1-CG2 4.13Å; V227-V231 WeakPolarHBondContact O-CB 3.39Å; V227-V231 VanDerWaalsContact O-CG2 3.23Å; V227-V231 WeakPolarHBondContact O-CG2 3.21Å; V227-V231 PolarHBondContact O-N 3.17Å; V227-F241 HydrophobicContact CG2-CE1 4.37Å; V227-L244 HydrophobicContact CG1-CD1 3.84Å; V227-L244 HydrophobicContact CG1-CD2 4.14Å; V227-F265 HydrophobicContact CG2-CB 3.95Å; V227-F265 HydrophobicContact CG2-CD1 3.98Å; V227-F265 HydrophobicContact CG2-CD2 4.08Å; V227-F265 HydrophobicContact CG2-CE1 4.5Å; V227-F265 HydrophobicContact CG2-CG 3.76Å; V227-I269 HydrophobicContact CG1-CD1 4.07Å; V227-I269 HydrophobicContact CG1-CG1 4.25Å; V227-I269 HydrophobicContact CG2-CG1 4.43Å
228	K	97.5	Very high	95.9	Very high	9 Å²	9	63.4 Å²	63.4	4%	0.039	37%	0.366	C	S	.	.	H	α-helix	trans	-55.3	-50.6	178	-74.5	179.9	65.7	176.1	0	111.5	L224 E225 S230 V231 G232 I233 D234 S235 D237	L224-K228 HydrophobicContact CD1-CD 4.37Å; L224-K228 HydrophobicContact CD1-CG 4.34Å; L224-K228 HydrophobicContact CG-CD 4.16Å; L224-K228 WeakPolarHBondContact O-CB 3.07Å; L224-K228 VanDerWaalsContact O-CG 3.32Å; L224-K228 WeakPolarHBondContact O-CG 3.3Å; L224-K228 PolarHBondContact O-N 3.17Å; E225-K228 PolarHBondContact O-N 2.79Å; K228-S230 VanDerWaalsContact C-N 3.32Å; K228-S230 PolarHBondContact O-N 2.95Å; K228-V231 PolarHBondContact O-N 2.93Å; K228-G232 PolarHBondContact O-N 2.81Å; K228-I233 HydrophobicContact CB-CB 4.11Å; K228-I233 HydrophobicContact CB-CG2 4.49Å; K228-I233 HydrophobicContact CD-CG2 4.48Å; K228-I233 HydrophobicContact CG-CB 4.21Å; K228-I233 HydrophobicContact CG-CG2 4.17Å; K228-I233 PolarHBondContact O-N 2.89Å; K228-D234 WeakPolarHBondContact CE-O 3.42Å; K228-D234 PolarHBondContact NZ-O 3.32Å; K228-S235 PolarHBondContact NZ-O 2.68Å; K228-D237 PolarHBondContact NZ-O 3.32Å
229	A	97.2	Very high	95.9	Very high	79 Å²	79	59 Å²	59	65%	0.653	34%	0.337	S	S	*	.	H	α-helix	trans	-60.5	-39.9	178.1	0	0	0	0	0	112.7	E225 V227	E225-A229 VanDerWaalsContact O-CB 3.32Å; E225-A229 WeakPolarHBondContact O-CB 3.46Å; E225-A229 PolarHBondContact O-N 3.37Å; V227-A229 PolarHBondContact O-N 2.9Å
230	S	96.6	Very high	96	Very high	47 Å²	47	60.1 Å²	60.1	33%	0.329	34%	0.338	S	S	.	.	H	α-helix	trans	-72.7	-27.7	179.9	-62.5	0	0	0	0	113.9	K226 V227 K228 A261 R264 F265	K226-S230 WeakPolarHBondContact O-CB 3.35Å; K226-S230 PolarHBondContact O-N 3Å; K226-S230 VanDerWaalsContact O-N 3.09Å; K226-S230 PolarHBondContact O-OG 2.77Å; V227-S230 PolarHBondContact O-N 2.87Å; V227-S230 VanDerWaalsContact O-N 3.16Å; K228-S230 VanDerWaalsContact C-N 3.32Å; K228-S230 PolarHBondContact O-N 2.95Å; S230-A261 WeakPolarHBondContact O-CB 3.19Å; S230-R264 PolarHBondContact OG-NH2 2.99Å; S230-F265 VanDerWaalsContact CB-CE2 3.5Å; S230-F265 WeakPolarHBondContact OG-CE2 3.23Å
231	V	95.5	Very high	96	Very high	22 Å²	22	59.9 Å²	59.9	13%	0.133	34%	0.336	C	S	.	.	H	α-helix	trans	-88	-21.1	179.8	177	0	0	0	0	111.3	V63 V227 K228 I233 A261 L262	V63-V231 HydrophobicContact CG1-CG1 4.12Å; V227-V231 HydrophobicContact CG1-CG2 4.13Å; V227-V231 WeakPolarHBondContact O-CB 3.39Å; V227-V231 VanDerWaalsContact O-CG2 3.23Å; V227-V231 WeakPolarHBondContact O-CG2 3.21Å; V227-V231 PolarHBondContact O-N 3.17Å; K228-V231 PolarHBondContact O-N 2.93Å; V231-I233 HydrophobicContact CB-CD1 4.25Å; V231-I233 HydrophobicContact CB-CG1 4.26Å; V231-I233 HydrophobicContact CG1-CD1 3.93Å; V231-I233 HydrophobicContact CG1-CG1 3.94Å; V231-A261 HydrophobicContact CG2-CB 3.99Å; V231-L262 HydrophobicContact CG1-CD1 4.5Å; V231-L262 HydrophobicContact CG1-CD2 4.13Å; V231-L262 HydrophobicContact CG1-CG 4.14Å; V231-L262 HydrophobicContact CG2-CD2 3.54Å; V231-L262 HydrophobicContact CG2-CG 3.87Å
232	G	95.6	Very high	96.1	Very high	57 Å²	57	61.7 Å²	61.7	59%	0.588	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.9	30.7	-175.4	0	0	0	0	0	113.2	K228	K228-G232 PolarHBondContact O-N 2.81Å
233	I	96.9	Very high	96.1	Very high	9 Å²	9	57.9 Å²	57.9	5%	0.046	32%	0.324	C	S	.	.			trans	-88.3	134	174.3	-63.3	170.2	0	0	0	108.6	L61 P62 V63 K228 V231 D237 V239 L244	L61-I233 HydrophobicContact CD2-CD1 4.31Å; P62-I233 HydrophobicContact CG-CG2 4.13Å; V63-I233 HydrophobicContact CG1-CG1 3.66Å; K228-I233 HydrophobicContact CB-CB 4.11Å; K228-I233 HydrophobicContact CB-CG2 4.49Å; K228-I233 HydrophobicContact CD-CG2 4.48Å; K228-I233 HydrophobicContact CG-CB 4.21Å; K228-I233 HydrophobicContact CG-CG2 4.17Å; K228-I233 PolarHBondContact O-N 2.89Å; V231-I233 HydrophobicContact CB-CD1 4.25Å; V231-I233 HydrophobicContact CB-CG1 4.26Å; V231-I233 HydrophobicContact CG1-CD1 3.93Å; V231-I233 HydrophobicContact CG1-CG1 3.94Å; I233-D237 HydrophobicContact CG2-CB 3.83Å; I233-V239 HydrophobicContact CD1-CG1 4.29Å; I233-V239 HydrophobicContact CG2-CB 4.44Å; I233-V239 HydrophobicContact CG2-CG2 4.04Å; I233-L244 HydrophobicContact CD1-CD2 3.99Å
234	D	94.5	Very high	96.1	Very high	83 Å²	83	56.2 Å²	56.2	44%	0.444	32%	0.315	S	S	.	.			trans	-62.7	142.4	179.4	-167.3	-73.3	0	0	0	111.2	K228 N236 D237	K228-D234 WeakPolarHBondContact CE-O 3.42Å; K228-D234 PolarHBondContact NZ-O 3.32Å; D234-N236 PolarHBondContact O-N 3.03Å; D234-N236 VanDerWaalsContact O-N 3.17Å; D234-N236 VanDerWaalsContact OD1-CB 3.25Å; D234-N236 WeakPolarHBondContact OD1-CB 3.39Å; D234-N236 PolarHBondContact OD1-N 2.96Å; D234-N236 PolarHBondContact OD1-ND2 3.46Å; D234-D237 WeakPolarHBondContact CB-OD2 3.37Å; D234-D237 PolarHBondContact N-OD2 3.25Å; D234-D237 WeakPolarHBondContact O-CB 3.48Å; D234-D237 PolarHBondContact O-N 3.43Å
235	S	90.4	Very high	96.1	Very high	82 Å²	82	56.4 Å²	56.4	57%	0.573	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-30.6	177.3	50.3	0	0	0	0	112.8	K228	K228-S235 PolarHBondContact NZ-O 2.68Å
236	N	92.1	Very high	96.2	Very high	134 Å²	134	52.7 Å²	52.7	72%	0.717	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-16.2	179.3	-59.1	-61.7	0	0	0	113.6	D234 K238	D234-N236 PolarHBondContact O-N 3.03Å; D234-N236 VanDerWaalsContact O-N 3.17Å; D234-N236 VanDerWaalsContact OD1-CB 3.25Å; D234-N236 WeakPolarHBondContact OD1-CB 3.39Å; D234-N236 PolarHBondContact OD1-N 2.96Å; D234-N236 PolarHBondContact OD1-ND2 3.46Å; N236-K238 PolarHBondContact O-N 3.1Å
237	D	93	Very high	96.3	Very high	58 Å²	58	47.1 Å²	47.1	31%	0.31	28%	0.275	S	S	.	.	S	Bend	trans	-68.4	131.3	177.8	-77.3	-40.2	0	0	0	111.3	P62 K228 I233 D234 V239	P62-D237 HydrophobicContact CG-CB 3.87Å; K228-D237 PolarHBondContact NZ-O 3.32Å; I233-D237 HydrophobicContact CG2-CB 3.83Å; D234-D237 WeakPolarHBondContact CB-OD2 3.37Å; D234-D237 PolarHBondContact N-OD2 3.25Å; D234-D237 WeakPolarHBondContact O-CB 3.48Å; D234-D237 PolarHBondContact O-N 3.43Å; D237-V239 VanDerWaalsContact C-N 3.27Å; D237-V239 HydrophobicContact CB-CG2 4.28Å; D237-V239 PolarHBondContact O-N 3.29Å
238	K	92.7	Very high	96.3	Very high	213 Å²	213	47.2 Å²	47.2	93%	0.926	28%	0.276	S	S	*	.			trans	-81	73	-179.4	-63.6	-179.2	-177.5	174.9	0	110.6	N236	N236-K238 PolarHBondContact O-N 3.1Å
239	V	95.7	Very high	96.3	Very high	12 Å²	12	48.3 Å²	48.3	7%	0.073	29%	0.286	C	S	.	.			trans	-113.8	129.2	176.5	177.8	0	0	0	0	109.4	L61 P62 I233 D237 V243 L244	L61-V239 HydrophobicContact CD2-CG1 4.28Å; P62-V239 HydrophobicContact CG-CG2 3.56Å; I233-V239 HydrophobicContact CD1-CG1 4.29Å; I233-V239 HydrophobicContact CG2-CB 4.44Å; I233-V239 HydrophobicContact CG2-CG2 4.04Å; D237-V239 VanDerWaalsContact C-N 3.27Å; D237-V239 HydrophobicContact CB-CG2 4.28Å; D237-V239 PolarHBondContact O-N 3.29Å; V239-V243 HydrophobicContact CG1-CB 4.25Å; V239-V243 HydrophobicContact CG1-CG1 4.29Å; V239-L244 HydrophobicContact CG1-CD1 4.25Å; V239-L244 HydrophobicContact CG1-CD2 4.07Å; V239-L244 HydrophobicContact CG1-CG 3.74Å
240	D	96.7	Very high	96.4	Very high	46 Å²	46	44.5 Å²	44.5	25%	0.246	26%	0.255	C	S	.	.			trans	-115.4	179.1	172.9	65.7	19.6	0	0	0	111	I215 F242 V243 L244	I215-D240 HydrophobicContact CG2-CB 3.87Å; D240-F242 PolarHBondContact O-N 3.48Å; D240-F242 WeakPolarHBondContact OD1-CA 3.43Å; D240-F242 WeakPolarHBondContact OD1-CB 3.43Å; D240-F242 PolarHBondContact OD1-N 3.19Å; D240-V243 PolarHBondContact O-N 3.37Å; D240-V243 PolarHBondContact OD1-N 3.36Å; D240-L244 WeakPolarHBondContact O-CG 3.45Å; D240-L244 PolarHBondContact O-N 3.32Å; D240-L244 VanDerWaalsContact O-N 3.07Å
241	F	98.3	Very high	96.5	Very high	1 Å²	1	42.9 Å²	42.9	0%	0.004	24%	0.242	C	C	.	.	H	α-helix	trans	-66.6	-20.5	177.7	-75.4	-69.2	0	0	0	114.2	I220 D223 L224 V227 L244 L245 I269 R272 A273	I220-F241 HydrophobicContact CG2-CD2 3.75Å; I220-F241 HydrophobicContact CG2-CE2 3.65Å; I220-F241 WeakPolarHBondContact O-CE2 3.28Å; D223-F241 HydrophobicContact CB-CZ 3.89Å; L224-F241 HydrophobicContact CB-CD2 4.43Å; L224-F241 HydrophobicContact CB-CE2 3.63Å; L224-F241 HydrophobicContact CB-CZ 3.87Å; L224-F241 HydrophobicContact CD1-CD2 4.24Å; L224-F241 HydrophobicContact CD1-CE1 4.45Å; L224-F241 HydrophobicContact CD1-CE2 4.11Å; L224-F241 HydrophobicContact CD1-CG 4.48Å; L224-F241 HydrophobicContact CD1-CZ 4.23Å; L224-F241 HydrophobicContact CG-CE2 4.38Å; V227-F241 HydrophobicContact CG2-CE1 4.37Å; F241-L244 HydrophobicContact CD1-CD1 3.96Å; F241-L244 HydrophobicContact CE1-CD1 4.27Å; F241-L245 WeakPolarHBondContact O-CB 3.21Å; F241-L245 PolarHBondContact O-N 3.43Å; F241-I269 HydrophobicContact CD1-CB 4.4Å; F241-I269 HydrophobicContact CD1-CG1 4.3Å; F241-I269 HydrophobicContact CD1-CG2 4.43Å; F241-I269 HydrophobicContact CE1-CG1 4.31Å; F241-R272 HydrophobicContact CB-CB 4.35Å; F241-R272 HydrophobicContact CD1-CB 3.7Å; F241-R272 HydrophobicContact CD2-CB 3.45Å; F241-R272 VanDerWaalsContact CD2-CB 3.45Å; F241-R272 HydrophobicContact CD2-CG 4.37Å; F241-R272 HydrophobicContact CE1-CB 3.69Å; F241-R272 HydrophobicContact CE1-CG 4.03Å; F241-R272 HydrophobicContact CE2-CB 3.43Å; F241-R272 VanDerWaalsContact CE2-CB 3.43Å; F241-R272 HydrophobicContact CE2-CG 3.85Å; F241-R272 HydrophobicContact CG-CB 3.56Å; F241-R272 HydrophobicContact CZ-CB 3.55Å; F241-R272 HydrophobicContact CZ-CG 3.65Å; F241-A273 HydrophobicContact CB-CB 4.02Å
242	F	98.1	Very high	96.6	Very high	67 Å²	67	47.2 Å²	47.2	29%	0.294	26%	0.261	S	S	.	.	H	α-helix	trans	-70.8	-44	173.9	-58.1	-50.1	0	0	0	110.9	D240 L245 D246 A273 T276 A277 W344	D240-F242 PolarHBondContact O-N 3.48Å; D240-F242 WeakPolarHBondContact OD1-CA 3.43Å; D240-F242 WeakPolarHBondContact OD1-CB 3.43Å; D240-F242 PolarHBondContact OD1-N 3.19Å; F242-L245 PolarHBondContact O-N 2.98Å; F242-D246 VanDerWaalsContact O-CB 3.23Å; F242-D246 WeakPolarHBondContact O-CB 3.19Å; F242-D246 PolarHBondContact O-N 3.21Å; F242-A273 HydrophobicContact CD1-CB 4.2Å; F242-A273 HydrophobicContact CE1-CB 4.48Å; F242-A273 VanDerWaalsContact CE1-O 3.31Å; F242-A273 WeakPolarHBondContact CE1-O 3.35Å; F242-T276 HydrophobicContact CE1-CG2 4.26Å; F242-T276 HydrophobicContact CE2-CG2 3.62Å; F242-T276 HydrophobicContact CZ-CG2 3.47Å; F242-T276 VanDerWaalsContact CZ-CG2 3.47Å; F242-A277 HydrophobicContact CE1-CB 4.03Å; F242-A277 HydrophobicContact CZ-CB 4.16Å; F242-W344 AromaticContact CD1-CH2 3.72Å; F242-W344 HydrophobicContact CD1-CH2 3.72Å; F242-W344 AromaticContact CD1-CZ3 3.87Å; F242-W344 HydrophobicContact CD1-CZ3 3.87Å; F242-W344 AromaticContact CE1-CH2 3.9Å; F242-W344 HydrophobicContact CE1-CH2 3.9Å; F242-W344 AromaticContact CE1-CZ3 3.79Å; F242-W344 HydrophobicContact CE1-CZ3 3.79Å
243	V	98.1	Very high	96.8	Very high	31 Å²	31	46.8 Å²	46.8	19%	0.188	25%	0.247	C	C	.	.	H	α-helix	trans	-65.1	-42.5	175.8	178.3	0	0	0	0	110.7	L61 V239 D240 D246 N247	L61-V243 HydrophobicContact CD2-CG1 3.98Å; V239-V243 HydrophobicContact CG1-CB 4.25Å; V239-V243 HydrophobicContact CG1-CG1 4.29Å; D240-V243 PolarHBondContact O-N 3.37Å; D240-V243 PolarHBondContact OD1-N 3.36Å; V243-D246 PolarHBondContact O-N 3.42Å; V243-N247 PolarHBondContact O-N 2.89Å; V243-N247 PolarHBondContact O-ND2 2.85Å
244	L	98.5	Very high	96.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61.8	-48.1	175.9	-70.6	163.8	0	0	0	111.4	L61 L224 V227 I233 V239 D240 F241 D246 N247 V248 L262 I269	L61-L244 HydrophobicContact CD2-CD2 3.86Å; L224-L244 HydrophobicContact CD1-CD1 3.71Å; V227-L244 HydrophobicContact CG1-CD1 3.84Å; V227-L244 HydrophobicContact CG1-CD2 4.14Å; I233-L244 HydrophobicContact CD1-CD2 3.99Å; V239-L244 HydrophobicContact CG1-CD1 4.25Å; V239-L244 HydrophobicContact CG1-CD2 4.07Å; V239-L244 HydrophobicContact CG1-CG 3.74Å; D240-L244 WeakPolarHBondContact O-CG 3.45Å; D240-L244 PolarHBondContact O-N 3.32Å; D240-L244 VanDerWaalsContact O-N 3.07Å; F241-L244 HydrophobicContact CD1-CD1 3.96Å; F241-L244 HydrophobicContact CE1-CD1 4.27Å; L244-D246 PolarHBondContact O-N 2.97Å; L244-N247 PolarHBondContact O-N 3.1Å; L244-V248 WeakPolarHBondContact O-CB 3.19Å; L244-V248 VanDerWaalsContact O-CG2 3.3Å; L244-V248 WeakPolarHBondContact O-CG2 3.44Å; L244-V248 PolarHBondContact O-N 2.99Å; L244-L262 HydrophobicContact CD2-CD2 4.15Å; L244-I269 HydrophobicContact CB-CD1 4.3Å; L244-I269 HydrophobicContact CB-CG1 4.33Å; L244-I269 HydrophobicContact CB-CG2 3.68Å
245	L	98.8	Very high	97	Very high	13 Å²	13	48.8 Å²	48.8	7%	0.068	27%	0.266	C	S	.	.	H	α-helix	trans	-64	-41.9	179.5	179.1	59.9	0	0	0	111.9	F241 F242 N247 V248 A249 I269 E270 A273 W344	F241-L245 WeakPolarHBondContact O-CB 3.21Å; F241-L245 PolarHBondContact O-N 3.43Å; F242-L245 PolarHBondContact O-N 2.98Å; L245-N247 VanDerWaalsContact C-N 3.31Å; L245-N247 PolarHBondContact O-N 2.93Å; L245-V248 PolarHBondContact O-N 2.63Å; L245-A249 HydrophobicContact CD1-CB 4.39Å; L245-A249 WeakPolarHBondContact O-CB 3.46Å; L245-A249 PolarHBondContact O-N 3.46Å; L245-I269 HydrophobicContact CB-CG2 3.85Å; L245-I269 HydrophobicContact CD1-CG2 4.44Å; L245-I269 VanDerWaalsContact N-CG2 3.34Å; L245-E270 HydrophobicContact CD1-CB 3.95Å; L245-E270 HydrophobicContact CD1-CG 4.21Å; L245-A273 HydrophobicContact CB-CB 4.06Å; L245-A273 HydrophobicContact CD2-CB 3.55Å; L245-A273 HydrophobicContact CG-CB 4.43Å; L245-W344 HydrophobicContact CD2-CB 3.81Å; L245-W344 HydrophobicContact CD2-CD2 3.33Å; L245-W344 HydrophobicContact CD2-CE3 3.53Å; L245-W344 HydrophobicContact CD2-CG 3.47Å; L245-W344 VanDerWaalsContact CD2-CG 3.47Å; L245-W344 HydrophobicContact CD2-CZ3 4.24Å
246	D	98.8	Very high	97.3	Very high	22 Å²	22	46.6 Å²	46.6	12%	0.118	25%	0.248	C	C	.	.	H	α-helix	trans	-57.8	-44.6	178.7	-174.8	49.3	0	0	0	111.6	R55 P57 L58 F242 V243 L244 A250	R55-D246 IonicContact CZ-OD1 2.73Å; R55-D246 IonicContact NH1-OD1 3.72Å; R55-D246 PolarHBondContact NH1-OD1 3.39Å; R55-D246 IonicContact NH1-OD2 2.72Å; R55-D246 IonicContact NH2-OD1 3.82Å; R55-D246 PolarHBondContact NH2-OD1 3.31Å; P57-D246 WeakPolarHBondContact CA-OD2 3.5Å; L58-D246 WeakPolarHBondContact CB-OD2 3.44Å; L58-D246 PolarHBondContact N-OD2 3.36Å; F242-D246 VanDerWaalsContact O-CB 3.23Å; F242-D246 WeakPolarHBondContact O-CB 3.19Å; F242-D246 PolarHBondContact O-N 3.21Å; V243-D246 PolarHBondContact O-N 3.42Å; L244-D246 PolarHBondContact O-N 2.97Å; D246-A250 WeakPolarHBondContact O-CB 3.3Å; D246-A250 PolarHBondContact O-N 3.49Å; D246-A250 VanDerWaalsContact O-N 3.15Å
247	N	98.6	Very high	97.4	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.016	22%	0.217	C	C	.	.	H	α-helix	trans	-72	-48.5	176.7	-74.2	-90.6	0	0	0	111.8	K59 L61 V243 L244 L245 A249 A250 E251	K59-N247 PolarHBondContact O-ND2 3.1Å; K59-N247 PolarHBondContact O-OD1 3.44Å; L61-N247 HydrophobicContact CD1-CB 3.96Å; L61-N247 HydrophobicContact CD2-CB 4.44Å; L61-N247 HydrophobicContact CG-CB 3.89Å; V243-N247 PolarHBondContact O-N 2.89Å; V243-N247 PolarHBondContact O-ND2 2.85Å; L244-N247 PolarHBondContact O-N 3.1Å; L245-N247 VanDerWaalsContact C-N 3.31Å; L245-N247 PolarHBondContact O-N 2.93Å; N247-A249 PolarHBondContact O-N 3.18Å; N247-A250 PolarHBondContact O-N 3.25Å; N247-E251 VanDerWaalsContact O-CB 3.3Å; N247-E251 WeakPolarHBondContact O-CB 3.15Å; N247-E251 VanDerWaalsContact O-CG 3.24Å; N247-E251 WeakPolarHBondContact O-CG 3.3Å; N247-E251 PolarHBondContact O-N 3.21Å
248	V	98.5	Very high	97.4	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.024	24%	0.237	C	C	.	.	H	α-helix	trans	-59.1	-47	-179.4	169.4	0	0	0	0	111.7	L244 L245 Q252 L257 L262 A266 I269	L244-V248 WeakPolarHBondContact O-CB 3.19Å; L244-V248 VanDerWaalsContact O-CG2 3.3Å; L244-V248 WeakPolarHBondContact O-CG2 3.44Å; L244-V248 PolarHBondContact O-N 2.99Å; L245-V248 PolarHBondContact O-N 2.63Å; V248-Q252 WeakPolarHBondContact O-CB 3.45Å; V248-Q252 PolarHBondContact O-N 2.81Å; V248-L257 HydrophobicContact CG1-CD2 4.29Å; V248-L262 HydrophobicContact CG2-CB 4.08Å; V248-L262 HydrophobicContact CG2-CD2 3.9Å; V248-L262 HydrophobicContact CG2-CG 4.39Å; V248-A266 HydrophobicContact CG1-CB 3.67Å; V248-I269 HydrophobicContact CG2-CD1 3.89Å
249	A	98.6	Very high	97.5	Very high	31 Å²	31	39.2 Å²	39.2	26%	0.256	21%	0.206	S	C	.	.	H	α-helix	trans	-66.1	-43	-179.9	0	0	0	0	0	111.6	L245 N247 V253 F347	L245-A249 HydrophobicContact CD1-CB 4.39Å; L245-A249 WeakPolarHBondContact O-CB 3.46Å; L245-A249 PolarHBondContact O-N 3.46Å; N247-A249 PolarHBondContact O-N 3.18Å; A249-V253 WeakPolarHBondContact O-CB 3.47Å; A249-V253 WeakPolarHBondContact O-CG1 3.38Å; A249-V253 PolarHBondContact O-N 2.92Å; A249-V253 VanDerWaalsContact O-N 3.14Å; A249-F347 HydrophobicContact CB-CE2 4.27Å
250	A	98.8	Very high	97.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64.4	-48.6	177	0	0	0	0	0	111	R55 P57 W69 D246 N247 Q252 V253 H254	R55-A250 WeakPolarHBondContact O-CB 3.46Å; P57-A250 HydrophobicContact CB-CB 4.48Å; W69-A250 HydrophobicContact CH2-CB 3.72Å; W69-A250 HydrophobicContact CZ2-CB 3.88Å; D246-A250 WeakPolarHBondContact O-CB 3.3Å; D246-A250 PolarHBondContact O-N 3.49Å; D246-A250 VanDerWaalsContact O-N 3.15Å; N247-A250 PolarHBondContact O-N 3.25Å; A250-Q252 PolarHBondContact O-N 3.25Å; A250-V253 WeakPolarHBondContact O-CG1 3.42Å; A250-H254 PolarHBondContact O-N 3.16Å; A250-H254 PolarHBondContact O-ND1 3.4Å
251	E	98.5	Very high	97.4	Very high	12 Å²	12	42 Å²	42	6%	0.056	23%	0.228	C	C	.	.	H	α-helix	trans	-64.8	-41.4	179.8	-70.9	-178.4	-151.4	0	0	112.3	V67 W69 N247 H254 S255 L256 L257	V67-E251 HydrophobicContact CG1-CG 4.35Å; V67-E251 HydrophobicContact CG2-CG 3.78Å; W69-E251 HydrophobicContact CZ2-CG 4.16Å; N247-E251 VanDerWaalsContact O-CB 3.3Å; N247-E251 WeakPolarHBondContact O-CB 3.15Å; N247-E251 VanDerWaalsContact O-CG 3.24Å; N247-E251 WeakPolarHBondContact O-CG 3.3Å; N247-E251 PolarHBondContact O-N 3.21Å; E251-H254 PolarHBondContact O-N 3.39Å; E251-S255 PolarHBondContact O-N 3.23Å; E251-L256 HydrophobicContact CB-CB 4.46Å; E251-L256 PolarHBondContact O-N 2.85Å; E251-L257 HydrophobicContact CB-CB 3.77Å; E251-L257 HydrophobicContact CB-CD1 4.08Å; E251-L257 HydrophobicContact CB-CG 4.48Å; E251-L257 PolarHBondContact O-N 3.4Å; E251-L257 WeakPolarHBondContact OE2-CD1 3.2Å
252	Q	98.2	Very high	97.3	Very high	114 Å²	114	42.2 Å²	42.2	53%	0.533	23%	0.229	S	C	.	.	H	α-helix	trans	-65.9	-44.3	-177.8	-173	173.3	-56.5	0	0	111.8	V248 A250 H254 S255 L257	V248-Q252 WeakPolarHBondContact O-CB 3.45Å; V248-Q252 PolarHBondContact O-N 2.81Å; A250-Q252 PolarHBondContact O-N 3.25Å; Q252-H254 PolarHBondContact O-N 3.08Å; Q252-S255 PolarHBondContact O-N 2.88Å; Q252-S255 VanDerWaalsContact O-N 3.08Å; Q252-L257 HydrophobicContact CB-CB 4.48Å; Q252-L257 HydrophobicContact CB-CD2 4.1Å
253	V	98.5	Very high	97.2	Very high	47 Å²	47	44.4 Å²	44.4	29%	0.285	24%	0.238	S	C	.	.	H	α-helix	trans	-68.3	-23	-178.3	75.5	0	0	0	0	112.8	A54 V120 A249 A250 F347	A54-V253 HydrophobicContact CB-CB 4.48Å; A54-V253 HydrophobicContact CB-CG1 3.57Å; A54-V253 HydrophobicContact CB-CG2 4.04Å; V120-V253 HydrophobicContact CG1-CG2 4.15Å; A249-V253 WeakPolarHBondContact O-CB 3.47Å; A249-V253 WeakPolarHBondContact O-CG1 3.38Å; A249-V253 PolarHBondContact O-N 2.92Å; A249-V253 VanDerWaalsContact O-N 3.14Å; A250-V253 WeakPolarHBondContact O-CG1 3.42Å; V253-F347 HydrophobicContact CB-CD2 4.49Å; V253-F347 HydrophobicContact CG1-CD2 4.03Å; V253-F347 HydrophobicContact CG1-CE2 3.94Å
254	H	98.7	Very high	97.2	Very high	19 Å²	19	51 Å²	51	9%	0.088	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	5.7	174.7	-61.8	89.8	0	0	0	113.4	R55 W69 T118 A250 E251 Q252 L256	R55-H254 PolarHBondContact O-CE1 3.48Å; W69-H254 AromaticContact CH2-CE1 3.89Å; W69-H254 AromaticContact CH2-ND1 3.45Å; W69-H254 WeakPolarHBondContact CH2-ND1 3.21Å; W69-H254 AromaticContact CZ3-CE1 3.69Å; W69-H254 AromaticContact CZ3-CG 3.87Å; W69-H254 AromaticContact CZ3-ND1 3.54Å; T118-H254 WeakPolarHBondContact CB-NE2 3.2Å; T118-H254 VanDerWaalsContact CG2-NE2 3.29Å; T118-H254 WeakPolarHBondContact CG2-NE2 3.39Å; T118-H254 PolarHBondContact OG1-NE2 2.98Å; A250-H254 PolarHBondContact O-N 3.16Å; A250-H254 PolarHBondContact O-ND1 3.4Å; E251-H254 PolarHBondContact O-N 3.39Å; Q252-H254 PolarHBondContact O-N 3.08Å; H254-L256 HydrophobicContact CB-CB 4.49Å; H254-L256 HydrophobicContact CB-CD1 3.84Å; H254-L256 HydrophobicContact CB-CG 3.77Å; H254-L256 PolarHBondContact O-N 2.6Å
255	S	97.6	Very high	97.2	Very high	116 Å²	116	51.8 Å²	51.8	81%	0.811	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	28	-173.2	-54.5	0	0	0	0	113.9	E251 Q252	E251-S255 PolarHBondContact O-N 3.23Å; Q252-S255 PolarHBondContact O-N 2.88Å; Q252-S255 VanDerWaalsContact O-N 3.08Å
256	L	97	Very high	97.2	Very high	36 Å²	36	51.9 Å²	51.9	19%	0.188	27%	0.266	C	S	.	.			trans	-96.2	-16.3	179.3	-63.1	179.2	0	0	0	113	V67 W69 L73 E251 H254 R258	V67-L256 WeakPolarHBondContact CG1-O 3.47Å; W69-L256 HydrophobicContact CD2-CD1 4.37Å; W69-L256 HydrophobicContact CE3-CD1 4.2Å; W69-L256 HydrophobicContact CH2-CD1 4.27Å; W69-L256 HydrophobicContact CZ2-CD1 4.39Å; W69-L256 HydrophobicContact CZ3-CD1 4.17Å; L73-L256 HydrophobicContact CD1-CD1 4.41Å; E251-L256 HydrophobicContact CB-CB 4.46Å; E251-L256 PolarHBondContact O-N 2.85Å; H254-L256 HydrophobicContact CB-CB 4.49Å; H254-L256 HydrophobicContact CB-CD1 3.84Å; H254-L256 HydrophobicContact CB-CG 3.77Å; H254-L256 PolarHBondContact O-N 2.6Å; L256-R258 WeakPolarHBondContact O-CG 3.3Å; L256-R258 PolarHBondContact O-N 2.95Å
257	L	94.9	Very high	97.1	Very high	12 Å²	12	59.3 Å²	59.3	6%	0.063	30%	0.297	C	S	.	.			trans	-60.8	112.6	-177.4	-175.2	58.7	0	0	0	109.5	V248 E251 Q252 L262 K263	V248-L257 HydrophobicContact CG1-CD2 4.29Å; E251-L257 HydrophobicContact CB-CB 3.77Å; E251-L257 HydrophobicContact CB-CD1 4.08Å; E251-L257 HydrophobicContact CB-CG 4.48Å; E251-L257 PolarHBondContact O-N 3.4Å; E251-L257 WeakPolarHBondContact OE2-CD1 3.2Å; Q252-L257 HydrophobicContact CB-CB 4.48Å; Q252-L257 HydrophobicContact CB-CD2 4.1Å; L257-L262 HydrophobicContact CD1-CB 3.81Å; L257-L262 HydrophobicContact CD1-CD1 4.25Å; L257-K263 HydrophobicContact CD2-CB 4.43Å; L257-K263 HydrophobicContact CD2-CG 3.56Å; L257-K263 HydrophobicContact CG-CD 4.49Å; L257-K263 HydrophobicContact CG-CG 3.62Å; L257-K263 WeakPolarHBondContact O-CE 3.28Å; L257-K263 PolarHBondContact O-NZ 3.4Å
258	R	92.4	Very high	97.1	Very high	198 Å²	198	61.1 Å²	61.1	75%	0.747	31%	0.308	S	S	*	.			trans	-113.6	-37	-177.8	-75.7	176.1	-172.5	-174.4	3.8	113.1	L256 P260	L256-R258 WeakPolarHBondContact O-CG 3.3Å; L256-R258 PolarHBondContact O-N 2.95Å; R258-P260 WeakPolarHBondContact O-CD 3.42Å; R258-P260 VanDerWaalsContact O-N 3.15Å
259	C	94.4	Very high	97.1	Very high	40 Å²	40	61 Å²	61	27%	0.27	31%	0.307	S	S	.	.			trans	-57.9	114.9	-179.3	178.1	0	0	0	0	111.4	A261 L262 K263	C259-A261 VanDerWaalsContact C-N 3.27Å; C259-A261 PolarHBondContact O-N 2.98Å; C259-L262 HydrophobicContact CB-CB 4.02Å; C259-L262 HydrophobicContact CB-CD1 3.9Å; C259-L262 HydrophobicContact CB-CG 4Å; C259-L262 PolarHBondContact O-N 3.23Å; C259-K263 PolarHBondContact O-N 3.31Å; C259-K263 VanDerWaalsContact O-N 3.1Å
260	P	95.1	Very high	97.2	Very high	105 Å²	105	62.4 Å²	62.4	68%	0.682	31%	0.309	S	S	*	.	H	α-helix	trans	-62.2	-34	-178.5	-24.8	35.3	0	0	0	113.1	R258 K263 R264	R258-P260 WeakPolarHBondContact O-CD 3.42Å; R258-P260 VanDerWaalsContact O-N 3.15Å; P260-K263 PolarHBondContact O-N 3.4Å; P260-R264 WeakPolarHBondContact O-CB 3.22Å; P260-R264 PolarHBondContact O-N 3.18Å
261	A	95.8	Very high	97.1	Very high	11 Å²	11	67.2 Å²	67.2	9%	0.091	33%	0.331	C	S	.	.	H	α-helix	trans	-64.7	-48.1	177.1	0	0	0	0	0	111.3	S230 V231 C259 K263 R264 F265	S230-A261 WeakPolarHBondContact O-CB 3.19Å; V231-A261 HydrophobicContact CG2-CB 3.99Å; C259-A261 VanDerWaalsContact C-N 3.27Å; C259-A261 PolarHBondContact O-N 2.98Å; A261-K263 VanDerWaalsContact C-N 3.33Å; A261-K263 PolarHBondContact O-N 2.69Å; A261-R264 PolarHBondContact O-N 3.03Å; A261-F265 WeakPolarHBondContact O-CD2 3.25Å; A261-F265 PolarHBondContact O-N 3.23Å
262	L	95.9	Very high	97.1	Very high	5 Å²	5	68.7 Å²	68.7	3%	0.026	34%	0.336	C	S	.	.	H	α-helix	trans	-59.9	-42.3	176.2	-72.4	179.2	0	0	0	111.9	L61 V231 L244 V248 L257 C259 R264 F265 A266 I269	L61-L262 HydrophobicContact CD1-CD1 3.59Å; L61-L262 HydrophobicContact CD1-CD2 4.2Å; V231-L262 HydrophobicContact CG1-CD1 4.5Å; V231-L262 HydrophobicContact CG1-CD2 4.13Å; V231-L262 HydrophobicContact CG1-CG 4.14Å; V231-L262 HydrophobicContact CG2-CD2 3.54Å; V231-L262 HydrophobicContact CG2-CG 3.87Å; L244-L262 HydrophobicContact CD2-CD2 4.15Å; V248-L262 HydrophobicContact CG2-CB 4.08Å; V248-L262 HydrophobicContact CG2-CD2 3.9Å; V248-L262 HydrophobicContact CG2-CG 4.39Å; L257-L262 HydrophobicContact CD1-CB 3.81Å; L257-L262 HydrophobicContact CD1-CD1 4.25Å; C259-L262 HydrophobicContact CB-CB 4.02Å; C259-L262 HydrophobicContact CB-CD1 3.9Å; C259-L262 HydrophobicContact CB-CG 4Å; C259-L262 PolarHBondContact O-N 3.23Å; L262-R264 PolarHBondContact O-N 3.25Å; L262-F265 PolarHBondContact O-N 3.4Å; L262-A266 PolarHBondContact O-N 3.01Å; L262-I269 HydrophobicContact CD2-CD1 4.13Å
263	K	96.3	Very high	97.2	Very high	114 Å²	114	63.2 Å²	63.2	50%	0.496	31%	0.311	S	S	.	.	H	α-helix	trans	-57.6	-48.7	173.3	-71.3	-178.3	179.9	177.1	0	112.2	L257 C259 P260 A261 F265 A266	L257-K263 HydrophobicContact CD2-CB 4.43Å; L257-K263 HydrophobicContact CD2-CG 3.56Å; L257-K263 HydrophobicContact CG-CD 4.49Å; L257-K263 HydrophobicContact CG-CG 3.62Å; L257-K263 WeakPolarHBondContact O-CE 3.28Å; L257-K263 PolarHBondContact O-NZ 3.4Å; C259-K263 PolarHBondContact O-N 3.31Å; C259-K263 VanDerWaalsContact O-N 3.1Å; P260-K263 PolarHBondContact O-N 3.4Å; A261-K263 VanDerWaalsContact C-N 3.33Å; A261-K263 PolarHBondContact O-N 2.69Å; K263-F265 VanDerWaalsContact C-N 3.27Å; K263-F265 PolarHBondContact O-N 3.09Å; K263-A266 PolarHBondContact O-N 2.98Å
264	R	97.9	Very high	97.2	Very high	169 Å²	169	61.1 Å²	61.1	64%	0.638	30%	0.298	S	S	*	.	H	α-helix	trans	-60.5	-38.2	-179	-178.5	176.9	67.1	-168.8	0.1	111.7	S230 P260 A261 L262	S230-R264 PolarHBondContact OG-NH2 2.99Å; P260-R264 WeakPolarHBondContact O-CB 3.22Å; P260-R264 PolarHBondContact O-N 3.18Å; A261-R264 PolarHBondContact O-N 3.03Å; L262-R264 PolarHBondContact O-N 3.25Å
265	F	98.2	Very high	97.1	Very high	16 Å²	16	63 Å²	63	7%	0.07	31%	0.307	C	S	.	.	H	α-helix	trans	-93.9	-0.6	-177.1	-68.2	-65.1	0	0	0	114.7	K226 V227 S230 A261 L262 K263 K267 V268 I269	K226-F265 HydrophobicContact CD-CE1 4.47Å; K226-F265 HydrophobicContact CG-CZ 4.26Å; V227-F265 HydrophobicContact CG2-CB 3.95Å; V227-F265 HydrophobicContact CG2-CD1 3.98Å; V227-F265 HydrophobicContact CG2-CD2 4.08Å; V227-F265 HydrophobicContact CG2-CE1 4.5Å; V227-F265 HydrophobicContact CG2-CG 3.76Å; S230-F265 VanDerWaalsContact CB-CE2 3.5Å; S230-F265 WeakPolarHBondContact OG-CE2 3.23Å; A261-F265 WeakPolarHBondContact O-CD2 3.25Å; A261-F265 PolarHBondContact O-N 3.23Å; L262-F265 PolarHBondContact O-N 3.4Å; K263-F265 VanDerWaalsContact C-N 3.27Å; K263-F265 PolarHBondContact O-N 3.09Å; F265-K267 VanDerWaalsContact C-N 3.27Å; F265-K267 PolarHBondContact O-N 3.42Å; F265-K267 VanDerWaalsContact O-N 3.1Å; F265-V268 HydrophobicContact CD1-CB 4.48Å; F265-V268 HydrophobicContact CD1-CG2 4.48Å; F265-V268 CarbonylContact O-C 3.52Å; F265-V268 WeakPolarHBondContact O-CA 3.48Å; F265-V268 PolarHBondContact O-N 2.84Å; F265-I269 HydrophobicContact CB-CD1 3.86Å; F265-I269 HydrophobicContact CB-CG1 4.12Å; F265-I269 WeakPolarHBondContact O-CG1 3.36Å; F265-I269 PolarHBondContact O-N 3.05Å
266	A	98.2	Very high	97.1	Very high	15 Å²	15	57.6 Å²	57.6	12%	0.124	27%	0.269	C	S	.	.	H	α-helix	trans	-49.5	-44.7	-173.6	0	0	0	0	0	113.8	V248 L262 K263 I269 E270	V248-A266 HydrophobicContact CG1-CB 3.67Å; L262-A266 PolarHBondContact O-N 3.01Å; K263-A266 PolarHBondContact O-N 2.98Å; A266-I269 PolarHBondContact O-N 2.75Å; A266-E270 PolarHBondContact O-N 3.37Å
267	K	98.1	Very high	97.1	Very high	179 Å²	179	56.4 Å²	56.4	78%	0.778	26%	0.264	S	S	*	.	H	α-helix	trans	-66.4	-41.8	176.9	-66.8	-175.5	178.8	-178.4	0	113.2	F265 I269 E270 Q271	F265-K267 VanDerWaalsContact C-N 3.27Å; F265-K267 PolarHBondContact O-N 3.42Å; F265-K267 VanDerWaalsContact O-N 3.1Å; K267-I269 VanDerWaalsContact C-N 3.34Å; K267-E270 PolarHBondContact O-N 3.31Å; K267-Q271 WeakPolarHBondContact O-CB 3.48Å; K267-Q271 PolarHBondContact O-N 3.04Å
268	V	98.4	Very high	97.2	Very high	41 Å²	41	57.1 Å²	57.1	25%	0.248	27%	0.268	C	S	.	.	H	α-helix	trans	-65.9	-42	177.3	176.5	0	0	0	0	109.9	D223 F265 E270 Q271 R272	D223-V268 HydrophobicContact CB-CG1 4.22Å; F265-V268 HydrophobicContact CD1-CB 4.48Å; F265-V268 HydrophobicContact CD1-CG2 4.48Å; F265-V268 CarbonylContact O-C 3.52Å; F265-V268 WeakPolarHBondContact O-CA 3.48Å; F265-V268 PolarHBondContact O-N 2.84Å; V268-E270 PolarHBondContact O-N 2.7Å; V268-Q271 PolarHBondContact O-N 3.13Å; V268-R272 HydrophobicContact CG1-CG 4.09Å; V268-R272 WeakPolarHBondContact O-CB 3.5Å; V268-R272 VanDerWaalsContact O-CG 3.28Å; V268-R272 WeakPolarHBondContact O-CG 3.24Å; V268-R272 PolarHBondContact O-N 2.99Å
269	I	98.7	Very high	97.4	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59.9	-47.6	177.2	-71.6	165.8	0	0	0	110.6	V227 F241 L244 L245 V248 L262 F265 A266 K267 A273	V227-I269 HydrophobicContact CG1-CD1 4.07Å; V227-I269 HydrophobicContact CG1-CG1 4.25Å; V227-I269 HydrophobicContact CG2-CG1 4.43Å; F241-I269 HydrophobicContact CD1-CB 4.4Å; F241-I269 HydrophobicContact CD1-CG1 4.3Å; F241-I269 HydrophobicContact CD1-CG2 4.43Å; F241-I269 HydrophobicContact CE1-CG1 4.31Å; L244-I269 HydrophobicContact CB-CD1 4.3Å; L244-I269 HydrophobicContact CB-CG1 4.33Å; L244-I269 HydrophobicContact CB-CG2 3.68Å; L245-I269 HydrophobicContact CB-CG2 3.85Å; L245-I269 HydrophobicContact CD1-CG2 4.44Å; L245-I269 VanDerWaalsContact N-CG2 3.34Å; V248-I269 HydrophobicContact CG2-CD1 3.89Å; L262-I269 HydrophobicContact CD2-CD1 4.13Å; F265-I269 HydrophobicContact CB-CD1 3.86Å; F265-I269 HydrophobicContact CB-CG1 4.12Å; F265-I269 WeakPolarHBondContact O-CG1 3.36Å; F265-I269 PolarHBondContact O-N 3.05Å; A266-I269 PolarHBondContact O-N 2.75Å; K267-I269 VanDerWaalsContact C-N 3.34Å; I269-A273 VanDerWaalsContact O-CB 3.29Å; I269-A273 WeakPolarHBondContact O-CB 3.36Å; I269-A273 PolarHBondContact O-N 3.26Å
270	E	98.7	Very high	97.5	Very high	61 Å²	61	48.9 Å²	48.9	29%	0.285	23%	0.232	S	C	.	.	H	α-helix	trans	-61.7	-50.2	175.9	-173.5	-176.6	177.9	0	0	111.6	L245 A266 K267 V268 R272 A273 V274 W344	L245-E270 HydrophobicContact CD1-CB 3.95Å; L245-E270 HydrophobicContact CD1-CG 4.21Å; A266-E270 PolarHBondContact O-N 3.37Å; K267-E270 PolarHBondContact O-N 3.31Å; V268-E270 PolarHBondContact O-N 2.7Å; E270-R272 PolarHBondContact O-N 2.98Å; E270-A273 WeakPolarHBondContact O-CB 3.31Å; E270-A273 PolarHBondContact O-N 2.74Å; E270-V274 WeakPolarHBondContact O-CG2 3.46Å; E270-V274 PolarHBondContact O-N 2.72Å; E270-W344 HydrophobicContact CG-CB 3.93Å; E270-W344 PolarHBondContact OE1-N 2.63Å
271	Q	98.5	Very high	97.5	Very high	102 Å²	102	44.4 Å²	44.4	48%	0.477	20%	0.203	S	C	.	.	H	α-helix	trans	-56.2	-49.4	179.4	-179.7	-177.1	-14.8	0	0	111.3	K267 V268 A273 V274 E275	K267-Q271 WeakPolarHBondContact O-CB 3.48Å; K267-Q271 PolarHBondContact O-N 3.04Å; V268-Q271 PolarHBondContact O-N 3.13Å; Q271-A273 VanDerWaalsContact C-N 3.35Å; Q271-A273 PolarHBondContact O-N 3.31Å; Q271-V274 PolarHBondContact O-N 3.45Å; Q271-E275 WeakPolarHBondContact CG-OE1 3.39Å; Q271-E275 PolarHBondContact NE2-OE1 3.04Å; Q271-E275 WeakPolarHBondContact O-CG 3.39Å; Q271-E275 PolarHBondContact O-N 3.41Å
272	R	98.5	Very high	97.2	Very high	42 Å²	42	46.6 Å²	46.6	16%	0.158	21%	0.211	C	C	.	.	H	α-helix	trans	-69.8	-30.4	-179.3	-65	-54	-172.5	-179.6	2.3	112.7	G219 D223 F241 V268 E270 E275 T276	G219-R272 VanDerWaalsContact C-CZ 3.49Å; G219-R272 VanDerWaalsContact O-CZ 3.28Å; G219-R272 PolarHBondContact O-NE 2.84Å; G219-R272 PolarHBondContact O-NH2 2.9Å; D223-R272 HydrophobicContact CB-CG 4.25Å; D223-R272 IonicContact OD2-CZ 2.7Å; D223-R272 IonicContact OD2-NE 3.25Å; D223-R272 PolarHBondContact OD2-NE 3.13Å; D223-R272 IonicContact OD2-NH2 2.86Å; D223-R272 PolarHBondContact OD2-NH2 3.07Å; F241-R272 HydrophobicContact CB-CB 4.35Å; F241-R272 HydrophobicContact CD1-CB 3.7Å; F241-R272 HydrophobicContact CD2-CB 3.45Å; F241-R272 VanDerWaalsContact CD2-CB 3.45Å; F241-R272 HydrophobicContact CD2-CG 4.37Å; F241-R272 HydrophobicContact CE1-CB 3.69Å; F241-R272 HydrophobicContact CE1-CG 4.03Å; F241-R272 HydrophobicContact CE2-CB 3.43Å; F241-R272 VanDerWaalsContact CE2-CB 3.43Å; F241-R272 HydrophobicContact CE2-CG 3.85Å; F241-R272 HydrophobicContact CG-CB 3.56Å; F241-R272 HydrophobicContact CZ-CB 3.55Å; F241-R272 HydrophobicContact CZ-CG 3.65Å; V268-R272 HydrophobicContact CG1-CG 4.09Å; V268-R272 WeakPolarHBondContact O-CB 3.5Å; V268-R272 VanDerWaalsContact O-CG 3.28Å; V268-R272 WeakPolarHBondContact O-CG 3.24Å; V268-R272 PolarHBondContact O-N 2.99Å; E270-R272 PolarHBondContact O-N 2.98Å; R272-E275 WeakPolarHBondContact CD-OE2 3.43Å; R272-E275 IonicContact CZ-OE2 2.96Å; R272-E275 IonicContact NE-OE2 3.16Å; R272-E275 IonicContact NH1-OE1 3.65Å; R272-E275 IonicContact NH1-OE2 2.76Å; R272-E275 PolarHBondContact NH1-OE2 3.38Å; R272-T276 VanDerWaalsContact O-CB 3.24Å; R272-T276 WeakPolarHBondContact O-CB 3.31Å; R272-T276 PolarHBondContact O-N 2.96Å; R272-T276 PolarHBondContact O-OG1 2.82Å
273	A	98.6	Very high	96.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-65	-43.1	170.8	0	0	0	0	0	111.5	F241 F242 L245 I269 E270 Q271 T276 A277 W344	F241-A273 HydrophobicContact CB-CB 4.02Å; F242-A273 HydrophobicContact CD1-CB 4.2Å; F242-A273 HydrophobicContact CE1-CB 4.48Å; F242-A273 VanDerWaalsContact CE1-O 3.31Å; F242-A273 WeakPolarHBondContact CE1-O 3.35Å; L245-A273 HydrophobicContact CB-CB 4.06Å; L245-A273 HydrophobicContact CD2-CB 3.55Å; L245-A273 HydrophobicContact CG-CB 4.43Å; I269-A273 VanDerWaalsContact O-CB 3.29Å; I269-A273 WeakPolarHBondContact O-CB 3.36Å; I269-A273 PolarHBondContact O-N 3.26Å; E270-A273 WeakPolarHBondContact O-CB 3.31Å; E270-A273 PolarHBondContact O-N 2.74Å; Q271-A273 VanDerWaalsContact C-N 3.35Å; Q271-A273 PolarHBondContact O-N 3.31Å; A273-T276 PolarHBondContact O-N 2.97Å; A273-A277 WeakPolarHBondContact O-CB 3.19Å; A273-A277 PolarHBondContact O-N 2.94Å; A273-W344 HydrophobicContact CB-CE3 4.21Å; A273-W344 HydrophobicContact CB-CZ3 4.2Å
274	V	98.4	Very high	96.5	Very high	3 Å²	3	50.8 Å²	50.8	2%	0.018	23%	0.232	C	C	.	.	H	α-helix	trans	-62.4	-48.2	174.7	171.4	0	0	0	0	110.8	E270 Q271 T276 A277 L278 F340 W344	E270-V274 WeakPolarHBondContact O-CG2 3.46Å; E270-V274 PolarHBondContact O-N 2.72Å; Q271-V274 PolarHBondContact O-N 3.45Å; V274-T276 VanDerWaalsContact C-N 3.32Å; V274-T276 PolarHBondContact O-N 2.89Å; V274-A277 PolarHBondContact O-N 3.31Å; V274-A277 VanDerWaalsContact O-N 3.14Å; V274-L278 HydrophobicContact CG1-CD1 3.98Å; V274-L278 HydrophobicContact CG1-CG 4.3Å; V274-L278 WeakPolarHBondContact O-CG 3.33Å; V274-L278 PolarHBondContact O-N 3.1Å; V274-F340 HydrophobicContact CG1-CE1 3.86Å; V274-F340 HydrophobicContact CG1-CZ 3.79Å; V274-W344 HydrophobicContact CG2-CB 4.33Å; V274-W344 HydrophobicContact CG2-CE3 4.25Å
275	E	97.8	Very high	96.3	Very high	58 Å²	58	44.1 Å²	44.1	27%	0.271	21%	0.209	S	C	.	.	H	α-helix	trans	-61.3	-40	177.4	-71.2	172.5	-171.4	0	0	112.1	I220 Q271 R272 A277 L278 Y279	I220-E275 HydrophobicContact CD1-CB 4.22Å; Q271-E275 WeakPolarHBondContact CG-OE1 3.39Å; Q271-E275 PolarHBondContact NE2-OE1 3.04Å; Q271-E275 WeakPolarHBondContact O-CG 3.39Å; Q271-E275 PolarHBondContact O-N 3.41Å; R272-E275 WeakPolarHBondContact CD-OE2 3.43Å; R272-E275 IonicContact CZ-OE2 2.96Å; R272-E275 IonicContact NE-OE2 3.16Å; R272-E275 IonicContact NH1-OE1 3.65Å; R272-E275 IonicContact NH1-OE2 2.76Å; R272-E275 PolarHBondContact NH1-OE2 3.38Å; E275-A277 VanDerWaalsContact C-N 3.35Å; E275-A277 PolarHBondContact O-N 3.12Å; E275-L278 PolarHBondContact O-N 3.46Å; E275-Y279 WeakPolarHBondContact O-CB 3.34Å; E275-Y279 PolarHBondContact O-N 3.08Å
276	T	97.9	Very high	96.2	Very high	3 Å²	3	48.6 Å²	48.6	2%	0.018	23%	0.226	C	C	.	.	H	α-helix	trans	-60.6	-44.8	173.7	-59.3	0	0	0	0	110.5	A214 F242 R272 A273 V274 Y279 V280	A214-T276 HydrophobicContact CB-CG2 3.73Å; F242-T276 HydrophobicContact CE1-CG2 4.26Å; F242-T276 HydrophobicContact CE2-CG2 3.62Å; F242-T276 HydrophobicContact CZ-CG2 3.47Å; F242-T276 VanDerWaalsContact CZ-CG2 3.47Å; R272-T276 VanDerWaalsContact O-CB 3.24Å; R272-T276 WeakPolarHBondContact O-CB 3.31Å; R272-T276 PolarHBondContact O-N 2.96Å; R272-T276 PolarHBondContact O-OG1 2.82Å; A273-T276 PolarHBondContact O-N 2.97Å; V274-T276 VanDerWaalsContact C-N 3.32Å; V274-T276 PolarHBondContact O-N 2.89Å; T276-Y279 PolarHBondContact O-N 3.25Å; T276-V280 WeakPolarHBondContact O-CG2 3.39Å; T276-V280 PolarHBondContact O-N 3.03Å
277	A	97.4	Very high	96.1	Very high	10 Å²	10	51.5 Å²	51.5	8%	0.083	24%	0.237	C	C	.	.	H	α-helix	trans	-65.5	-43.3	178	0	0	0	0	0	112.6	F242 A273 V274 E275 Y279 V280 L281 M331 W344	F242-A277 HydrophobicContact CE1-CB 4.03Å; F242-A277 HydrophobicContact CZ-CB 4.16Å; A273-A277 WeakPolarHBondContact O-CB 3.19Å; A273-A277 PolarHBondContact O-N 2.94Å; V274-A277 PolarHBondContact O-N 3.31Å; V274-A277 VanDerWaalsContact O-N 3.14Å; E275-A277 VanDerWaalsContact C-N 3.35Å; E275-A277 PolarHBondContact O-N 3.12Å; A277-Y279 VanDerWaalsContact C-N 3.29Å; A277-Y279 PolarHBondContact O-N 3.47Å; A277-V280 PolarHBondContact O-N 3.23Å; A277-L281 PolarHBondContact O-N 3.18Å; A277-M331 HydrophobicContact CB-CE 3.4Å; A277-M331 VanDerWaalsContact CB-CE 3.4Å; A277-M331 HydrophobicContact CB-SD 3.78Å; A277-W344 HydrophobicContact CB-CZ3 4.43Å
278	L	96.6	Very high	96	Very high	28 Å²	28	43 Å²	43	15%	0.147	20%	0.2	C	C	.	.	H	α-helix	trans	-65	-32.9	175	-70.1	177.2	0	0	0	112	V274 E275 L281 H282 M335 F340	V274-L278 HydrophobicContact CG1-CD1 3.98Å; V274-L278 HydrophobicContact CG1-CG 4.3Å; V274-L278 WeakPolarHBondContact O-CG 3.33Å; V274-L278 PolarHBondContact O-N 3.1Å; E275-L278 PolarHBondContact O-N 3.46Å; L278-L281 CarbonylContact O-C 3.59Å; L278-H282 WeakPolarHBondContact O-CA 3.5Å; L278-H282 PolarHBondContact O-N 3.38Å; L278-H282 VanDerWaalsContact O-N 3.11Å; L278-H282 PolarHBondContact O-ND1 2.92Å; L278-H282 VanDerWaalsContact O-ND1 3.14Å; L278-M335 HydrophobicContact CD2-CE 3.76Å; L278-M335 HydrophobicContact CD2-CG 4.48Å; L278-M335 HydrophobicContact CD2-SD 3.75Å; L278-F340 HydrophobicContact CD1-CE1 4.16Å; L278-F340 HydrophobicContact CD2-CD1 4.32Å; L278-F340 HydrophobicContact CD2-CE1 3.95Å; L278-F340 HydrophobicContact CG-CE1 4.29Å
279	Y	96.3	Very high	96	Very high	55 Å²	55	41 Å²	41	22%	0.216	19%	0.188	C	C	.	.	H	α-helix	trans	-68.4	-40.1	172.4	-179.2	-94	0	0	0	111.7	R210 T213 A214 Q217 E275 T276 A277 H282	R210-Y279 HydrophobicContact CB-CD1 4.19Å; R210-Y279 HydrophobicContact CB-CE1 3.86Å; R210-Y279 WeakPolarHBondContact CD-O 3.23Å; R210-Y279 HydrophobicContact CG-CE1 4.35Å; R210-Y279 WeakPolarHBondContact O-CE1 3.45Å; T213-Y279 PolarHBondContact OG1-OH 3.19Å; T213-Y279 VanDerWaalsContact OG1-OH 3.06Å; A214-Y279 HydrophobicContact CB-CD1 3.63Å; A214-Y279 HydrophobicContact CB-CE1 4.15Å; Q217-Y279 HydrophobicContact CG-CD1 4.08Å; Q217-Y279 HydrophobicContact CG-CD2 3.73Å; Q217-Y279 HydrophobicContact CG-CE1 3.95Å; Q217-Y279 HydrophobicContact CG-CE2 3.6Å; Q217-Y279 HydrophobicContact CG-CG 3.97Å; Q217-Y279 PolarHBondContact NE2-OH 2.97Å; Q217-Y279 VanDerWaalsContact NE2-OH 3.08Å; E275-Y279 WeakPolarHBondContact O-CB 3.34Å; E275-Y279 PolarHBondContact O-N 3.08Å; T276-Y279 PolarHBondContact O-N 3.25Å; A277-Y279 VanDerWaalsContact C-N 3.29Å; A277-Y279 PolarHBondContact O-N 3.47Å; Y279-H282 AromaticContact CD2-CE1 3.76Å; Y279-H282 PolarHBondContact O-CD2 3.13Å; Y279-H282 PolarHBondContact O-CE1 3.14Å; Y279-H282 VanDerWaalsContact O-CE1 3.26Å; Y279-H282 PolarHBondContact O-NE2 3.32Å
280	V	96.1	Very high	96	Very high	9 Å²	9	41.8 Å²	41.8	6%	0.055	19%	0.191	C	C	.	.	H	α-helix	trans	-67.4	-44.6	177.8	166.9	0	0	0	0	111.6	T207 R210 K211 A214 T276 A277	T207-V280 HydrophobicContact CG2-CG1 4.39Å; R210-V280 PolarHBondContact NE-O 3.45Å; R210-V280 PolarHBondContact NH2-O 2.93Å; K211-V280 HydrophobicContact CB-CG2 4.38Å; K211-V280 HydrophobicContact CD-CG1 4.19Å; K211-V280 HydrophobicContact CG-CB 4.28Å; K211-V280 HydrophobicContact CG-CG1 3.52Å; K211-V280 HydrophobicContact CG-CG2 3.7Å; A214-V280 HydrophobicContact CB-CG2 4.06Å; T276-V280 WeakPolarHBondContact O-CG2 3.39Å; T276-V280 PolarHBondContact O-N 3.03Å; A277-V280 PolarHBondContact O-N 3.23Å
281	L	95.7	Very high	96	Very high	12 Å²	12	38.9 Å²	38.9	6%	0.063	18%	0.178	C	C	.	.	S	Bend	trans	-125.4	83.7	-178.8	-174.4	64.4	0	0	0	109.1	A277 L278 S288 I289 A292 P332 M335	A277-L281 PolarHBondContact O-N 3.18Å; L278-L281 CarbonylContact O-C 3.59Å; L281-S288 VanDerWaalsContact CD1-CB 3.45Å; L281-I289 HydrophobicContact CD1-CG1 4.45Å; L281-I289 HydrophobicContact CG-CG1 4.45Å; L281-A292 HydrophobicContact CD2-CB 3.95Å; L281-P332 HydrophobicContact CD2-CB 3.89Å; L281-P332 HydrophobicContact CD2-CG 4.25Å; L281-M335 WeakPolarHBondContact O-CE 3.18Å
282	H	88.9	Confident	95.9	Very high	57 Å²	57	34.2 Å²	34.2	26%	0.264	16%	0.156	S	C	.	.			trans	-62.1	143.3	-178.2	-63.8	-72.2	0	0	0	113	R210 L278 Y279 E284 D285	R210-H282 WeakPolarHBondContact CD-NE2 3.49Å; L278-H282 WeakPolarHBondContact O-CA 3.5Å; L278-H282 PolarHBondContact O-N 3.38Å; L278-H282 VanDerWaalsContact O-N 3.11Å; L278-H282 PolarHBondContact O-ND1 2.92Å; L278-H282 VanDerWaalsContact O-ND1 3.14Å; Y279-H282 AromaticContact CD2-CE1 3.76Å; Y279-H282 PolarHBondContact O-CD2 3.13Å; Y279-H282 PolarHBondContact O-CE1 3.14Å; Y279-H282 VanDerWaalsContact O-CE1 3.26Å; Y279-H282 PolarHBondContact O-NE2 3.32Å; H282-E284 PolarHBondContact O-N 3.05Å; H282-D285 HydrophobicContact CB-CB 4.14Å; H282-D285 PolarHBondContact O-N 3.04Å; H282-D285 VanDerWaalsContact O-N 3.16Å
283	Q	86.8	Confident	95.9	Very high	52 Å²	52	32.2 Å²	32.2	24%	0.243	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-31.3	178.5	-169.4	170.3	-59.6	0	0	112.5	I289 M335	Q283-I289 WeakPolarHBondContact O-CD1 3.48Å; Q283-M335 VanDerWaalsContact CA-CE 3.43Å; Q283-M335 HydrophobicContact CB-CE 3.71Å; Q283-M335 HydrophobicContact CG-CB 4.41Å; Q283-M335 HydrophobicContact CG-CE 4.12Å
284	E	90.4	Very high	95.9	Very high	155 Å²	155	32.2 Å²	32.2	72%	0.724	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-21	179.9	-58.9	70.7	-151.1	0	0	112.2	H282 R286	H282-E284 PolarHBondContact O-N 3.05Å; E284-R286 PolarHBondContact O-N 3.41Å
285	D	94.4	Very high	96	Very high	28 Å²	28	32.7 Å²	32.7	15%	0.15	15%	0.152	C	C	.	.			trans	-80.5	72.1	177.3	-171.6	-8.2	0	0	0	110.5	R210 H282 E287 S288 I289	R210-D285 IonicContact CZ-OD2 3.46Å; R210-D285 IonicContact NH1-OD2 2.74Å; R210-D285 PolarHBondContact NH1-OD2 3.32Å; R210-D285 IonicContact NH2-OD2 3.35Å; R210-D285 PolarHBondContact NH2-OD2 3.44Å; H282-D285 HydrophobicContact CB-CB 4.14Å; H282-D285 PolarHBondContact O-N 3.04Å; H282-D285 VanDerWaalsContact O-N 3.16Å; D285-E287 PolarHBondContact O-N 3.13Å; D285-S288 VanDerWaalsContact CG-CB 3.43Å; D285-S288 PolarHBondContact O-N 3.34Å; D285-S288 VanDerWaalsContact O-N 3.14Å; D285-S288 WeakPolarHBondContact OD1-CB 3.18Å; D285-S288 PolarHBondContact OD1-N 2.99Å; D285-S288 VanDerWaalsContact OD1-N 3.13Å; D285-S288 PolarHBondContact OD1-OG 3.34Å; D285-S288 WeakPolarHBondContact OD2-CB 3.35Å; D285-S288 PolarHBondContact OD2-OG 2.94Å; D285-I289 PolarHBondContact O-N 3.49Å; D285-I289 VanDerWaalsContact O-N 3.09Å
286	R	95.9	Very high	96	Very high	110 Å²	110	30 Å²	30	42%	0.415	14%	0.139	S	C	.	.	H	α-helix	trans	-53.8	-38.3	-177.7	178	176.6	176.5	-167	-4.9	113.1	E284 I289 Q290 L396 Y397	E284-R286 PolarHBondContact O-N 3.41Å; R286-I289 PolarHBondContact O-N 3.46Å; R286-Q290 HydrophobicContact CG-CG 4.45Å; R286-Q290 WeakPolarHBondContact O-CB 3.42Å; R286-Q290 VanDerWaalsContact O-CG 3.3Å; R286-Q290 WeakPolarHBondContact O-CG 3.47Å; R286-Q290 PolarHBondContact O-N 3.21Å; R286-L396 VanDerWaalsContact CZ-O 3.22Å; R286-L396 PolarHBondContact NE-O 3.05Å; R286-L396 PolarHBondContact NH2-O 3.28Å; R286-Y397 HydrophobicContact CB-CE1 4.3Å; R286-Y397 HydrophobicContact CG-CD1 4.07Å; R286-Y397 HydrophobicContact CG-CE1 3.81Å
287	E	95.7	Very high	96	Very high	76 Å²	76	29.9 Å²	29.9	36%	0.355	14%	0.139	S	C	.	.	H	α-helix	trans	-68.9	-40.5	-178.5	-164.4	-168.2	102.9	0	0	111.3	K206 D285 Q290 M291 L407	K206-E287 VanDerWaalsContact NZ-CD 3.34Å; K206-E287 IonicContact NZ-OE1 3.64Å; K206-E287 PolarHBondContact NZ-OE1 3.46Å; K206-E287 IonicContact NZ-OE2 3.24Å; D285-E287 PolarHBondContact O-N 3.13Å; E287-Q290 WeakPolarHBondContact O-CB 3.46Å; E287-Q290 PolarHBondContact O-N 3.45Å; E287-M291 HydrophobicContact CG-CE 4.16Å; E287-M291 PolarHBondContact O-N 2.74Å; E287-L407 HydrophobicContact CG-CD2 4.27Å
288	S	96.9	Very high	96.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-65.7	-37.9	173.8	-65.4	0	0	0	0	111.9	L281 D285 M291 A292	L281-S288 VanDerWaalsContact CD1-CB 3.45Å; D285-S288 VanDerWaalsContact CG-CB 3.43Å; D285-S288 PolarHBondContact O-N 3.34Å; D285-S288 VanDerWaalsContact O-N 3.14Å; D285-S288 WeakPolarHBondContact OD1-CB 3.18Å; D285-S288 PolarHBondContact OD1-N 2.99Å; D285-S288 VanDerWaalsContact OD1-N 3.13Å; D285-S288 PolarHBondContact OD1-OG 3.34Å; D285-S288 WeakPolarHBondContact OD2-CB 3.35Å; D285-S288 PolarHBondContact OD2-OG 2.94Å; S288-M291 PolarHBondContact O-N 2.8Å; S288-A292 WeakPolarHBondContact O-CB 3.35Å; S288-A292 PolarHBondContact O-N 2.92Å
289	I	97.9	Very high	96.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-65.1	-41.5	173.1	-63.1	173.4	0	0	0	110.9	L281 Q283 D285 R286 M291 A292 V293 M335 A336 Y397	L281-I289 HydrophobicContact CD1-CG1 4.45Å; L281-I289 HydrophobicContact CG-CG1 4.45Å; Q283-I289 WeakPolarHBondContact O-CD1 3.48Å; D285-I289 PolarHBondContact O-N 3.49Å; D285-I289 VanDerWaalsContact O-N 3.09Å; R286-I289 PolarHBondContact O-N 3.46Å; I289-M291 VanDerWaalsContact C-N 3.34Å; I289-M291 PolarHBondContact O-N 2.84Å; I289-A292 PolarHBondContact O-N 2.95Å; I289-A292 VanDerWaalsContact O-N 3.15Å; I289-V293 HydrophobicContact CG2-CG2 3.98Å; I289-V293 WeakPolarHBondContact O-CG2 3.46Å; I289-V293 PolarHBondContact O-N 3.39Å; I289-M335 HydrophobicContact CD1-CE 4.07Å; I289-A336 HydrophobicContact CG2-CB 4.14Å; I289-Y397 HydrophobicContact CB-CD1 4.02Å; I289-Y397 HydrophobicContact CB-CE1 4.22Å; I289-Y397 HydrophobicContact CD1-CE1 4.16Å; I289-Y397 HydrophobicContact CG2-CD1 3.54Å; I289-Y397 HydrophobicContact CG2-CE1 3.97Å; I289-Y397 HydrophobicContact CG2-CG 4.33Å
290	Q	98.2	Very high	96.3	Very high	16 Å²	16	32.2 Å²	32.2	8%	0.075	15%	0.146	C	C	.	.	H	α-helix	trans	-57.4	-44.4	174.1	-85.7	178.2	-11	0	0	111.9	R286 E287 G294 L396 V399	R286-Q290 HydrophobicContact CG-CG 4.45Å; R286-Q290 WeakPolarHBondContact O-CB 3.42Å; R286-Q290 VanDerWaalsContact O-CG 3.3Å; R286-Q290 WeakPolarHBondContact O-CG 3.47Å; R286-Q290 PolarHBondContact O-N 3.21Å; E287-Q290 WeakPolarHBondContact O-CB 3.46Å; E287-Q290 PolarHBondContact O-N 3.45Å; Q290-G294 WeakPolarHBondContact O-CA 3.42Å; Q290-G294 PolarHBondContact O-N 2.9Å; Q290-L396 PolarHBondContact NE2-O 3.27Å; Q290-V399 HydrophobicContact CB-CG2 3.59Å; Q290-V399 HydrophobicContact CG-CG2 3.81Å; Q290-V399 WeakPolarHBondContact O-CG2 3.49Å
291	M	98.2	Very high	96.4	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-72.7	-30.9	174.8	-70.1	-178	-73.6	0	0	112.7	C200 V202 L203 K206 E287 S288 I289 Y404 L407	C200-M291 VanDerWaalsContact SG-SD 3.61Å; V202-M291 HydrophobicContact CB-CE 4.5Å; V202-M291 HydrophobicContact CB-SD 3.92Å; V202-M291 HydrophobicContact CG1-CE 3.93Å; V202-M291 HydrophobicContact CG1-SD 3.92Å; L203-M291 HydrophobicContact CB-CB 3.98Å; L203-M291 HydrophobicContact CB-CE 4.35Å; L203-M291 HydrophobicContact CB-SD 4.18Å; L203-M291 HydrophobicContact CD1-CB 4.25Å; L203-M291 HydrophobicContact CD2-CB 4.26Å; L203-M291 HydrophobicContact CG-CB 4.37Å; K206-M291 HydrophobicContact CD-CE 3.87Å; E287-M291 HydrophobicContact CG-CE 4.16Å; E287-M291 PolarHBondContact O-N 2.74Å; S288-M291 PolarHBondContact O-N 2.8Å; I289-M291 VanDerWaalsContact C-N 3.34Å; I289-M291 PolarHBondContact O-N 2.84Å; M291-Y404 VanDerWaalsContact O-CE2 3.31Å; M291-Y404 WeakPolarHBondContact O-CE2 2.99Å; M291-L407 HydrophobicContact CG-CB 3.98Å; M291-L407 HydrophobicContact CG-CD1 4.24Å; M291-L407 HydrophobicContact SD-CB 4.15Å
292	A	98.3	Very high	96.6	Very high	3 Å²	3	34.1 Å²	34.1	3%	0.025	16%	0.158	C	C	.	.	H	α-helix	trans	-72.4	-47.4	-178	0	0	0	0	0	112.8	P195 L203 L281 S288 I289	P195-A292 VanDerWaalsContact CA-O 3.31Å; P195-A292 WeakPolarHBondContact CA-O 3.28Å; P195-A292 HydrophobicContact CB-CB 3.86Å; P195-A292 HydrophobicContact CG-CB 3.9Å; L203-A292 HydrophobicContact CD2-CB 4.34Å; L281-A292 HydrophobicContact CD2-CB 3.95Å; S288-A292 WeakPolarHBondContact O-CB 3.35Å; S288-A292 PolarHBondContact O-N 2.92Å; I289-A292 PolarHBondContact O-N 2.95Å; I289-A292 VanDerWaalsContact O-N 3.15Å
293	V	98.4	Very high	97	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-133.9	-2	-173	-66.1	0	0	0	0	114.4	P195 I289 F296 L297 T329 P332 I333	P195-V293 HydrophobicContact CG-CG1 4.49Å; I289-V293 HydrophobicContact CG2-CG2 3.98Å; I289-V293 WeakPolarHBondContact O-CG2 3.46Å; I289-V293 PolarHBondContact O-N 3.39Å; V293-F296 PolarHBondContact O-N 3.4Å; V293-F296 VanDerWaalsContact O-N 3.08Å; V293-L297 HydrophobicContact CG2-CD1 4Å; V293-L297 HydrophobicContact CG2-CG 4.45Å; V293-L297 PolarHBondContact O-N 2.93Å; V293-T329 HydrophobicContact CG1-CG2 4.36Å; V293-P332 HydrophobicContact CG1-CB 3.92Å; V293-P332 HydrophobicContact CG1-CG 3.57Å; V293-P332 HydrophobicContact CG2-CB 4.05Å; V293-I333 HydrophobicContact CB-CG1 4.05Å; V293-I333 HydrophobicContact CG1-CG1 4.1Å; V293-I333 HydrophobicContact CG2-CG1 4.28Å
294	G	98.6	Very high	97.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-57.7	-41.1	-177.9	0	0	0	0	0	115.1	Q290 F296 L297 Y298 Y397 A398 V399	Q290-G294 WeakPolarHBondContact O-CA 3.42Å; Q290-G294 PolarHBondContact O-N 2.9Å; G294-F296 VanDerWaalsContact C-N 3.3Å; G294-F296 PolarHBondContact O-N 3.5Å; G294-L297 PolarHBondContact O-N 2.88Å; G294-Y298 WeakPolarHBondContact O-CB 3.39Å; G294-Y298 PolarHBondContact O-N 3.46Å; G294-Y397 WeakPolarHBondContact CA-O 3.35Å; G294-A398 WeakPolarHBondContact O-CA 3.46Å; G294-V399 PolarHBondContact O-N 3.31Å
295	P	98.8	Very high	97.9	Very high	14 Å²	14	25.5 Å²	25.5	9%	0.091	12%	0.12	C	C	.	.	H	α-helix	trans	-61.1	-36.9	174.1	-26.2	36	0	0	0	113.3	I192 Y298 M299 V399 Y404	I192-P295 HydrophobicContact CB-CB 4Å; I192-P295 HydrophobicContact CD1-CB 4.27Å; I192-P295 HydrophobicContact CG2-CB 3.74Å; I192-P295 HydrophobicContact CG2-CG 4.44Å; P295-Y298 WeakPolarHBondContact O-CB 3.43Å; P295-Y298 PolarHBondContact O-N 2.97Å; P295-M299 PolarHBondContact O-N 2.97Å; P295-M299 VanDerWaalsContact O-N 3.13Å; P295-V399 WeakPolarHBondContact CA-O 3.43Å; P295-Y404 HydrophobicContact CG-CD1 4.1Å; P295-Y404 HydrophobicContact CG-CD2 3.34Å; P295-Y404 HydrophobicContact CG-CE1 4.43Å; P295-Y404 HydrophobicContact CG-CE2 3.74Å; P295-Y404 HydrophobicContact CG-CG 3.53Å
296	F	98.8	Very high	98.1	Very high	0 Å²	0	29 Å²	29	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-74	-42.2	177.4	-174.5	-153.7	0	0	0	111.8	V49 I192 L193 V293 G294 Y298 M299 L300 Y323 T325 T329 I333	V49-F296 HydrophobicContact CB-CZ 4.47Å; V49-F296 HydrophobicContact CG1-CE1 3.74Å; V49-F296 HydrophobicContact CG1-CZ 3.9Å; V49-F296 HydrophobicContact CG2-CE1 4.19Å; V49-F296 HydrophobicContact CG2-CZ 3.72Å; I192-F296 WeakPolarHBondContact O-CB 3.38Å; L193-F296 HydrophobicContact CD2-CD1 4.01Å; L193-F296 HydrophobicContact CD2-CD2 3.56Å; L193-F296 HydrophobicContact CD2-CE1 3.88Å; L193-F296 HydrophobicContact CD2-CE2 3.39Å; L193-F296 HydrophobicContact CD2-CG 3.9Å; L193-F296 HydrophobicContact CD2-CZ 3.57Å; V293-F296 PolarHBondContact O-N 3.4Å; V293-F296 VanDerWaalsContact O-N 3.08Å; G294-F296 VanDerWaalsContact C-N 3.3Å; G294-F296 PolarHBondContact O-N 3.5Å; F296-Y298 PolarHBondContact O-N 3.39Å; F296-M299 HydrophobicContact CD2-CB 4.47Å; F296-M299 HydrophobicContact CD2-CE 4.19Å; F296-M299 HydrophobicContact CD2-SD 4.5Å; F296-M299 WeakPolarHBondContact O-CB 3.13Å; F296-M299 PolarHBondContact O-N 3.13Å; F296-L300 HydrophobicContact CD2-CG 4.17Å; F296-L300 HydrophobicContact CE2-CD1 4.24Å; F296-L300 HydrophobicContact CE2-CD2 3.84Å; F296-L300 HydrophobicContact CE2-CG 3.9Å; F296-L300 HydrophobicContact CZ-CD1 4.24Å; F296-L300 HydrophobicContact CZ-CD2 4.21Å; F296-L300 HydrophobicContact CZ-CG 4.35Å; F296-L300 PolarHBondContact O-N 3.28Å; F296-Y323 AromaticContact CE2-CD1 3.94Å; F296-Y323 HydrophobicContact CE2-CD1 3.94Å; F296-Y323 HydrophobicContact CE2-CD2 4.14Å; F296-Y323 HydrophobicContact CE2-CE1 4.33Å; F296-Y323 HydrophobicContact CE2-CE2 4.48Å; F296-Y323 AromaticContact CE2-CG 3.85Å; F296-Y323 HydrophobicContact CE2-CG 3.85Å; F296-Y323 HydrophobicContact CZ-CD1 4.31Å; F296-Y323 HydrophobicContact CZ-CD2 4.2Å; F296-Y323 AromaticContact CZ-CG 3.84Å; F296-Y323 HydrophobicContact CZ-CG 3.84Å; F296-T325 HydrophobicContact CE1-CG2 3.82Å; F296-T325 HydrophobicContact CZ-CG2 4.1Å; F296-T329 HydrophobicContact CD1-CG2 3.88Å; F296-T329 HydrophobicContact CE1-CG2 4.13Å; F296-I333 HydrophobicContact CD1-CD1 3.61Å; F296-I333 HydrophobicContact CE1-CD1 3.67Å
297	L	98.8	Very high	98.1	Very high	2 Å²	2	25 Å²	25	1%	0.01	13%	0.125	C	C	.	.	H	α-helix	trans	-59	-35.9	171.2	-70.9	175.3	0	0	0	112	V293 G294 M299 L300 K301 I333 A336 M394 A398	V293-L297 HydrophobicContact CG2-CD1 4Å; V293-L297 HydrophobicContact CG2-CG 4.45Å; V293-L297 PolarHBondContact O-N 2.93Å; G294-L297 PolarHBondContact O-N 2.88Å; L297-M299 VanDerWaalsContact C-N 3.35Å; L297-L300 PolarHBondContact O-N 3.29Å; L297-K301 WeakPolarHBondContact O-CB 3.47Å; L297-K301 PolarHBondContact O-N 3.49Å; L297-I333 HydrophobicContact CD2-CG1 4.27Å; L297-I333 HydrophobicContact CD2-CG2 4.28Å; L297-A336 HydrophobicContact CD1-CB 3.89Å; L297-M394 HydrophobicContact CD2-CE 4.19Å; L297-M394 WeakPolarHBondContact O-CE 3.26Å; L297-A398 HydrophobicContact CB-CB 4.21Å
298	Y	98.8	Very high	98.1	Very high	105 Å²	105	23.2 Å²	23.2	41%	0.412	12%	0.119	S	C	.	.	H	α-helix	trans	-63.4	-40	173.6	-178	-90.5	0	0	0	112	G294 P295 F296 G302 V399	G294-Y298 WeakPolarHBondContact O-CB 3.39Å; G294-Y298 PolarHBondContact O-N 3.46Å; P295-Y298 WeakPolarHBondContact O-CB 3.43Å; P295-Y298 PolarHBondContact O-N 2.97Å; F296-Y298 PolarHBondContact O-N 3.39Å; Y298-G302 PolarHBondContact O-N 2.9Å; Y298-V399 WeakPolarHBondContact CB-O 3.18Å
299	M	98.6	Very high	98	Very high	37 Å²	37	25.4 Å²	25.4	18%	0.182	13%	0.131	C	C	.	.	H	α-helix	trans	-63.9	-50.2	174.1	-170	-163.5	-46.3	0	0	112	I192 P295 F296 L297 K301 G302 N303 Y323	I192-M299 HydrophobicContact CD1-CE 3.28Å; I192-M299 HydrophobicContact CG1-CE 4.1Å; P295-M299 PolarHBondContact O-N 2.97Å; P295-M299 VanDerWaalsContact O-N 3.13Å; F296-M299 HydrophobicContact CD2-CB 4.47Å; F296-M299 HydrophobicContact CD2-CE 4.19Å; F296-M299 HydrophobicContact CD2-SD 4.5Å; F296-M299 WeakPolarHBondContact O-CB 3.13Å; F296-M299 PolarHBondContact O-N 3.13Å; L297-M299 VanDerWaalsContact C-N 3.35Å; M299-K301 VanDerWaalsContact C-N 3.32Å; M299-K301 PolarHBondContact O-N 2.89Å; M299-G302 WeakPolarHBondContact O-CA 3.38Å; M299-G302 PolarHBondContact O-N 3.43Å; M299-N303 PolarHBondContact O-N 3.17Å; M299-Y323 HydrophobicContact SD-CE1 3.55Å; M299-Y323 VanDerWaalsContact SD-CE1 3.55Å
300	L	98.8	Very high	97.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-59.4	-44.1	179.4	-65.1	176.3	0	0	0	111.4	Q47 V49 F296 L297 G302 N303 L304 Y323 M353 M394	Q47-L300 HydrophobicContact CB-CD2 4.45Å; Q47-L300 PolarHBondContact NE2-O 3.43Å; Q47-L300 PolarHBondContact OE1-O 2.85Å; V49-L300 HydrophobicContact CG2-CD1 4.19Å; V49-L300 HydrophobicContact CG2-CD2 4.18Å; F296-L300 HydrophobicContact CD2-CG 4.17Å; F296-L300 HydrophobicContact CE2-CD1 4.24Å; F296-L300 HydrophobicContact CE2-CD2 3.84Å; F296-L300 HydrophobicContact CE2-CG 3.9Å; F296-L300 HydrophobicContact CZ-CD1 4.24Å; F296-L300 HydrophobicContact CZ-CD2 4.21Å; F296-L300 HydrophobicContact CZ-CG 4.35Å; F296-L300 PolarHBondContact O-N 3.28Å; L297-L300 PolarHBondContact O-N 3.29Å; L300-G302 VanDerWaalsContact C-N 3.34Å; L300-N303 PolarHBondContact O-N 2.82Å; L300-L304 PolarHBondContact O-N 3.07Å; L300-Y323 HydrophobicContact CD2-CD2 3.89Å; L300-Y323 HydrophobicContact CD2-CE2 3.59Å; L300-M353 HydrophobicContact CD1-CE 4.41Å; L300-M394 HydrophobicContact CB-CE 3.85Å
301	K	98.6	Very high	97.4	Very high	43 Å²	43	38.6 Å²	38.6	19%	0.187	20%	0.196	C	C	.	.	H	α-helix	trans	-61	-43.2	173.2	-178.5	-174.1	168.3	-175.6	0	111.4	L297 M299 N303 L304 L305 L391 M394 S395 A398	L297-K301 WeakPolarHBondContact O-CB 3.47Å; L297-K301 PolarHBondContact O-N 3.49Å; M299-K301 VanDerWaalsContact C-N 3.32Å; M299-K301 PolarHBondContact O-N 2.89Å; K301-N303 VanDerWaalsContact C-N 3.29Å; K301-N303 PolarHBondContact O-N 3.3Å; K301-L304 WeakPolarHBondContact O-CB 3.28Å; K301-L304 PolarHBondContact O-N 3.41Å; K301-L305 HydrophobicContact CG-CD1 4.25Å; K301-L305 WeakPolarHBondContact O-CG 3.45Å; K301-L305 PolarHBondContact O-N 3.12Å; K301-L391 HydrophobicContact CD-CD2 4.45Å; K301-L391 HydrophobicContact CG-CD2 3.67Å; K301-M394 HydrophobicContact CB-CE 3.95Å; K301-M394 HydrophobicContact CB-SD 4.16Å; K301-S395 WeakPolarHBondContact CE-OG 3.35Å; K301-S395 PolarHBondContact NZ-OG 3.08Å; K301-A398 HydrophobicContact CD-CB 4.28Å
302	G	98.2	Very high	97.1	Very high	18 Å²	18	40 Å²	40	19%	0.186	21%	0.205	C	C	.	.	H	α-helix	trans	-61.6	-35.8	178.9	0	0	0	0	0	113	Y298 M299 L300 L305 K306	Y298-G302 PolarHBondContact O-N 2.9Å; M299-G302 WeakPolarHBondContact O-CA 3.38Å; M299-G302 PolarHBondContact O-N 3.43Å; L300-G302 VanDerWaalsContact C-N 3.34Å; G302-L305 PolarHBondContact O-N 2.88Å; G302-K306 WeakPolarHBondContact O-CB 3.5Å; G302-K306 VanDerWaalsContact O-CG 3.23Å; G302-K306 WeakPolarHBondContact O-CG 3.34Å; G302-K306 PolarHBondContact O-N 2.99Å
303	N	98.4	Very high	96.6	Very high	7 Å²	7	43.1 Å²	43.1	4%	0.037	23%	0.225	C	C	.	.	H	α-helix	trans	-64.3	-45.8	174.2	-66	-24.8	0	0	0	111.4	M45 Q47 M299 L300 K301 L305 K306 A307 Y321 Y323	M45-N303 WeakPolarHBondContact CE-O 3.47Å; M45-N303 HydrophobicContact SD-CB 3.95Å; Q47-N303 PolarHBondContact OE1-ND2 2.94Å; M299-N303 PolarHBondContact O-N 3.17Å; L300-N303 PolarHBondContact O-N 2.82Å; K301-N303 VanDerWaalsContact C-N 3.29Å; K301-N303 PolarHBondContact O-N 3.3Å; N303-L305 PolarHBondContact O-N 2.92Å; N303-K306 PolarHBondContact O-N 3.15Å; N303-A307 PolarHBondContact O-N 3.45Å; N303-Y321 HydrophobicContact CB-CE2 4.37Å; N303-Y323 PolarHBondContact ND2-OH 3.29Å
304	L	98.4	Very high	95.8	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-58.4	-47.6	175.1	-61.3	174.1	0	0	0	111.5	L300 K301 K306 A307 V308 M353 L355 L387 F390 L391 M394	L300-L304 PolarHBondContact O-N 3.07Å; K301-L304 WeakPolarHBondContact O-CB 3.28Å; K301-L304 PolarHBondContact O-N 3.41Å; L304-K306 VanDerWaalsContact C-N 3.34Å; L304-K306 PolarHBondContact O-N 2.82Å; L304-A307 VanDerWaalsContact O-CB 3.28Å; L304-A307 WeakPolarHBondContact O-CB 3.29Å; L304-A307 PolarHBondContact O-N 3.36Å; L304-A307 VanDerWaalsContact O-N 3.15Å; L304-V308 PolarHBondContact O-N 3.07Å; L304-M353 HydrophobicContact CD1-SD 4.18Å; L304-L355 HydrophobicContact CD2-CB 4.07Å; L304-L355 HydrophobicContact CD2-CD1 4.27Å; L304-L355 HydrophobicContact CD2-CD2 4.13Å; L304-L355 HydrophobicContact CD2-CG 4.39Å; L304-L387 HydrophobicContact CB-CD1 4.41Å; L304-L387 HydrophobicContact CD1-CD1 4.29Å; L304-F390 HydrophobicContact CD1-CD1 4Å; L304-F390 HydrophobicContact CD1-CE1 3.83Å; L304-L391 HydrophobicContact CB-CD2 4.45Å; L304-L391 HydrophobicContact CD1-CD2 4.26Å; L304-M394 HydrophobicContact CD1-SD 4.07Å
305	L	97.9	Very high	95.1	Very high	75 Å²	75	52.1 Å²	52.1	39%	0.393	29%	0.285	S	S	.	.	H	α-helix	trans	-62.5	-39.3	179.4	-71.9	176.8	0	0	0	112.7	K301 G302 N303 A307 V308 D309 L391	K301-L305 HydrophobicContact CG-CD1 4.25Å; K301-L305 WeakPolarHBondContact O-CG 3.45Å; K301-L305 PolarHBondContact O-N 3.12Å; G302-L305 PolarHBondContact O-N 2.88Å; N303-L305 PolarHBondContact O-N 2.92Å; L305-A307 VanDerWaalsContact C-N 3.31Å; L305-V308 WeakPolarHBondContact O-CG2 3.48Å; L305-V308 PolarHBondContact O-N 2.71Å; L305-D309 WeakPolarHBondContact O-CB 3.38Å; L305-D309 PolarHBondContact O-N 2.96Å; L305-D309 VanDerWaalsContact O-N 3.13Å; L305-L391 HydrophobicContact CD2-CD1 3.77Å; L305-L391 HydrophobicContact CD2-CD2 4.38Å; L305-L391 HydrophobicContact CG-CD2 4.45Å
306	K	97.1	Very high	94.5	Very high	100 Å²	100	58.2 Å²	58.2	44%	0.435	31%	0.31	S	S	.	.	H	α-helix	trans	-65	-36.3	175	-75.4	169.9	-173.2	171.6	0	112.1	G302 N303 L304 V308 T312 T317	G302-K306 WeakPolarHBondContact O-CB 3.5Å; G302-K306 VanDerWaalsContact O-CG 3.23Å; G302-K306 WeakPolarHBondContact O-CG 3.34Å; G302-K306 PolarHBondContact O-N 2.99Å; N303-K306 PolarHBondContact O-N 3.15Å; L304-K306 VanDerWaalsContact C-N 3.34Å; L304-K306 PolarHBondContact O-N 2.82Å; K306-V308 VanDerWaalsContact C-N 3.31Å; K306-V308 PolarHBondContact O-N 3.22Å; K306-T312 HydrophobicContact CB-CG2 4.22Å; K306-T312 VanDerWaalsContact O-CB 3.29Å; K306-T312 WeakPolarHBondContact O-CB 3.23Å; K306-T312 PolarHBondContact O-OG1 3.13Å; K306-T317 HydrophobicContact CB-CG2 4.05Å
307	A	95.9	Very high	94.3	Very high	27 Å²	27	59.7 Å²	59.7	22%	0.223	32%	0.319	C	S	.	.	H	α-helix	trans	-63.2	-37.6	179.3	0	0	0	0	0	112.7	M45 N303 L304 L305 L355	M45-A307 HydrophobicContact CE-CB 3.39Å; M45-A307 HydrophobicContact SD-CB 4.31Å; N303-A307 PolarHBondContact O-N 3.45Å; L304-A307 VanDerWaalsContact O-CB 3.28Å; L304-A307 WeakPolarHBondContact O-CB 3.29Å; L304-A307 PolarHBondContact O-N 3.36Å; L304-A307 VanDerWaalsContact O-N 3.15Å; L305-A307 VanDerWaalsContact C-N 3.31Å; A307-L355 HydrophobicContact CB-CD2 3.45Å; A307-L355 VanDerWaalsContact CB-CD2 3.45Å
308	V	96.3	Very high	94.2	Very high	39 Å²	39	62.2 Å²	62.2	24%	0.236	33%	0.328	C	S	.	.	H	α-helix	trans	-93.7	-15.2	-174.8	-53.9	0	0	0	0	113.7	L304 L305 K306 P310 L355 W364 L387	L304-V308 PolarHBondContact O-N 3.07Å; L305-V308 WeakPolarHBondContact O-CG2 3.48Å; L305-V308 PolarHBondContact O-N 2.71Å; K306-V308 VanDerWaalsContact C-N 3.31Å; K306-V308 PolarHBondContact O-N 3.22Å; V308-P310 VanDerWaalsContact O-CD 3.28Å; V308-P310 WeakPolarHBondContact O-CD 3.15Å; V308-L355 HydrophobicContact CG1-CD2 4.15Å; V308-W364 HydrophobicContact CB-CD2 4.27Å; V308-W364 HydrophobicContact CB-CZ2 4.08Å; V308-W364 HydrophobicContact CG1-CD2 3.42Å; V308-W364 VanDerWaalsContact CG1-CD2 3.42Å; V308-W364 HydrophobicContact CG1-CE3 3.58Å; V308-W364 HydrophobicContact CG1-CG 3.94Å; V308-W364 HydrophobicContact CG1-CH2 3.95Å; V308-W364 HydrophobicContact CG1-CZ2 3.84Å; V308-W364 HydrophobicContact CG1-CZ3 3.81Å; V308-L387 HydrophobicContact CB-CD2 4.41Å; V308-L387 HydrophobicContact CG1-CD2 3.53Å; V308-L387 HydrophobicContact CG2-CD2 4.28Å
309	D	95.4	Very high	94.1	Very high	45 Å²	45	60.7 Å²	60.7	24%	0.241	32%	0.324	C	S	.	.			trans	-77.7	112.4	176.6	-173.2	-14.6	0	0	0	110.2	L305 R311 T312	L305-D309 WeakPolarHBondContact O-CB 3.38Å; L305-D309 PolarHBondContact O-N 2.96Å; L305-D309 VanDerWaalsContact O-N 3.13Å; D309-R311 PolarHBondContact O-N 2.8Å; D309-R311 VanDerWaalsContact OD1-CB 3.29Å; D309-R311 WeakPolarHBondContact OD1-CB 3.35Å; D309-R311 WeakPolarHBondContact OD1-CG 3.24Å; D309-R311 IonicContact OD1-CZ 2.62Å; D309-R311 PolarHBondContact OD1-N 2.96Å; D309-R311 IonicContact OD1-NE 3.15Å; D309-R311 PolarHBondContact OD1-NE 3.29Å; D309-R311 IonicContact OD1-NH2 2.8Å; D309-R311 IonicContact OD2-CZ 2.82Å; D309-R311 IonicContact OD2-NE 3.8Å; D309-R311 PolarHBondContact OD2-NE 3.17Å; D309-R311 IonicContact OD2-NH2 2.72Å; D309-R311 PolarHBondContact OD2-NH2 2.84Å; D309-T312 WeakPolarHBondContact O-CB 3.24Å; D309-T312 PolarHBondContact O-N 2.94Å; D309-T312 PolarHBondContact O-OG1 3.41Å
310	P	90.9	Very high	94.1	Very high	126 Å²	126	59 Å²	59	82%	0.818	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-12.9	-177.7	29	-36.7	0	0	0	113.4	V308 T312	V308-P310 VanDerWaalsContact O-CD 3.28Å; V308-P310 WeakPolarHBondContact O-CD 3.15Å; P310-T312 VanDerWaalsContact C-N 3.35Å
311	R	93.3	Very high	94.2	Very high	168 Å²	168	59.2 Å²	59.2	63%	0.634	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-13.3	176.2	-57	169.3	-64.6	174.3	5.4	112.2	D309 P313	D309-R311 PolarHBondContact O-N 2.8Å; D309-R311 VanDerWaalsContact OD1-CB 3.29Å; D309-R311 WeakPolarHBondContact OD1-CB 3.35Å; D309-R311 WeakPolarHBondContact OD1-CG 3.24Å; D309-R311 IonicContact OD1-CZ 2.62Å; D309-R311 PolarHBondContact OD1-N 2.96Å; D309-R311 IonicContact OD1-NE 3.15Å; D309-R311 PolarHBondContact OD1-NE 3.29Å; D309-R311 IonicContact OD1-NH2 2.8Å; D309-R311 IonicContact OD2-CZ 2.82Å; D309-R311 IonicContact OD2-NE 3.8Å; D309-R311 PolarHBondContact OD2-NE 3.17Å; D309-R311 IonicContact OD2-NH2 2.72Å; D309-R311 PolarHBondContact OD2-NH2 2.84Å; R311-P313 WeakPolarHBondContact O-CD 3.38Å
312	T	90.5	Very high	94.2	Very high	31 Å²	31	57.2 Å²	57.2	19%	0.19	31%	0.308	C	S	.	.	S	Bend	trans	-73	120.4	178.2	-57.8	0	0	0	0	109.3	K306 D309 P310 K316 T317	K306-T312 HydrophobicContact CB-CG2 4.22Å; K306-T312 VanDerWaalsContact O-CB 3.29Å; K306-T312 WeakPolarHBondContact O-CB 3.23Å; K306-T312 PolarHBondContact O-OG1 3.13Å; D309-T312 WeakPolarHBondContact O-CB 3.24Å; D309-T312 PolarHBondContact O-N 2.94Å; D309-T312 PolarHBondContact O-OG1 3.41Å; P310-T312 VanDerWaalsContact C-N 3.35Å; T312-K316 HydrophobicContact CG2-CB 3.84Å; T312-T317 HydrophobicContact CG2-CG2 3.71Å
313	P	87.8	Confident	94.2	Very high	67 Å²	67	56.5 Å²	56.5	44%	0.435	30%	0.299	S	S	.	.			trans	-61.3	144	175.9	-22.1	33.2	0	0	0	111	R311 S315 K316	R311-P313 WeakPolarHBondContact O-CD 3.38Å; P313-S315 PolarHBondContact O-N 3.09Å; P313-K316 HydrophobicContact CB-CG 4.31Å; P313-K316 HydrophobicContact CG-CG 4.27Å; P313-K316 WeakPolarHBondContact O-CB 3.23Å; P313-K316 PolarHBondContact O-N 2.62Å
314	P	81.8	Confident	94.2	Very high	116 Å²	116	56.2 Å²	56.2	75%	0.753	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-53.7	-30.7	176.7	-28.2	35.1	0	0	0	113.8	K316 T317	P314-K316 PolarHBondContact O-N 3.08Å; P314-T317 PolarHBondContact O-N 3.31Å; P314-T317 PolarHBondContact O-OG1 2.93Å
315	S	83.8	Confident	94.3	Very high	73 Å²	73	56.1 Å²	56.1	51%	0.51	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-68.3	-11.6	176.7	61.7	0	0	0	0	114.8	P313 R318	P313-S315 PolarHBondContact O-N 3.09Å; S315-R318 PolarHBondContact O-NH1 2.73Å
316	K	87.6	Confident	94.3	Very high	143 Å²	143	53.1 Å²	53.1	62%	0.622	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-101.6	-3	-179.3	-64.9	-63.8	-174.3	179.9	0	113.6	T312 P313 P314	T312-K316 HydrophobicContact CG2-CB 3.84Å; P313-K316 HydrophobicContact CB-CG 4.31Å; P313-K316 HydrophobicContact CG-CG 4.27Å; P313-K316 WeakPolarHBondContact O-CB 3.23Å; P313-K316 PolarHBondContact O-N 2.62Å; P314-K316 PolarHBondContact O-N 3.08Å
317	T	93.4	Very high	94.4	Very high	31 Å²	31	49.2 Å²	49.2	19%	0.19	27%	0.265	C	S	.	.			trans	-116.7	162.2	173.3	52.5	0	0	0	0	109.6	K306 T312 P314	K306-T317 HydrophobicContact CB-CG2 4.05Å; T312-T317 HydrophobicContact CG2-CG2 3.71Å; P314-T317 PolarHBondContact O-N 3.31Å; P314-T317 PolarHBondContact O-OG1 2.93Å
318	R	96.4	Very high	94.5	Very high	54 Å²	54	51 Å²	51	20%	0.204	27%	0.273	C	S	.	.			trans	-129.3	155.6	173.6	-61.3	-64.6	-179.5	-87.8	4.8	108.2	P149 Q150 E151 L153 S315 Y321	P149-R318 PolarHBondContact O-NE 2.72Å; Q150-R318 VanDerWaalsContact C-CD 3.5Å; Q150-R318 WeakPolarHBondContact O-CD 3.39Å; E151-R318 WeakPolarHBondContact O-CB 3.39Å; L153-R318 HydrophobicContact CB-CG 3.95Å; S315-R318 PolarHBondContact O-NH1 2.73Å; R318-Y321 HydrophobicContact CB-CD2 4.3Å; R318-Y321 HydrophobicContact CB-CE1 4.15Å; R318-Y321 HydrophobicContact CB-CE2 3.74Å; R318-Y321 HydrophobicContact CG-CE1 4.28Å; R318-Y321 PolarHBondContact N-OH 3.48Å; R318-Y321 VanDerWaalsContact O-CE2 3.32Å; R318-Y321 WeakPolarHBondContact O-CE2 3.18Å
319	K	98.1	Very high	94.6	Very high	73 Å²	73	49.2 Å²	49.2	32%	0.317	26%	0.262	S	S	.	.	S	Bend	trans	-74.4	-40.8	172.7	-70.3	-172.9	179.8	172.1	0	110.7	M45 V46 F142 L143 E151	M45-K319 CarbonylContact C-O 3.57Å; M45-K319 WeakPolarHBondContact CA-O 3.3Å; V46-K319 PolarHBondContact N-O 3.15Å; F142-K319 HydrophobicContact CE1-CB 3.83Å; F142-K319 WeakPolarHBondContact CE1-O 3.45Å; F142-K319 HydrophobicContact CE2-CB 4.25Å; F142-K319 HydrophobicContact CE2-CD 4.24Å; F142-K319 HydrophobicContact CE2-CG 4.23Å; F142-K319 HydrophobicContact CZ-CB 3.57Å; F142-K319 HydrophobicContact CZ-CD 4.34Å; F142-K319 HydrophobicContact CZ-CG 4.04Å; F142-K319 WeakPolarHBondContact CZ-O 3.49Å; F142-K319 WeakPolarHBondContact O-CD 3.21Å; F142-K319 WeakPolarHBondContact O-CE 3.48Å; F142-K319 PolarHBondContact O-NZ 3.23Å; L143-K319 HydrophobicContact CD2-CB 3.66Å; L143-K319 HydrophobicContact CD2-CD 4.2Å; E151-K319 HydrophobicContact CB-CB 4.4Å; E151-K319 HydrophobicContact CB-CD 4.41Å; E151-K319 HydrophobicContact CG-CD 4.1Å; E151-K319 PolarHBondContact O-N 2.86Å; E151-K319 WeakPolarHBondContact OE1-CE 3.48Å; E151-K319 IonicContact OE1-NZ 3.29Å; E151-K319 PolarHBondContact OE1-NZ 2.79Å
320	L	98.8	Very high	94.7	Very high	1 Å²	1	47 Å²	47	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	133.6	-179	178.8	64.7	0	0	0	111.5	V46 V48 L143 E151 V152 L153 L173 L322	V46-L320 HydrophobicContact CB-CD1 3.94Å; V46-L320 HydrophobicContact CG1-CD1 3.87Å; V46-L320 CarbonylContact O-C 3.54Å; V46-L320 WeakPolarHBondContact O-CA 3.44Å; V48-L320 HydrophobicContact CG2-CD1 3.98Å; L143-L320 HydrophobicContact CD1-CB 4.21Å; L143-L320 HydrophobicContact CD1-CD2 3.8Å; L143-L320 HydrophobicContact CD2-CB 3.96Å; E151-L320 PolarHBondContact O-N 3.26Å; V152-L320 WeakPolarHBondContact CA-O 3.42Å; V152-L320 HydrophobicContact CG1-CB 4.39Å; V152-L320 HydrophobicContact CG1-CD2 4.11Å; V152-L320 HydrophobicContact CG1-CG 4.31Å; V152-L320 HydrophobicContact CG2-CB 4.33Å; V152-L320 HydrophobicContact CG2-CD2 4.43Å; L153-L320 PolarHBondContact N-O 3.37Å; L173-L320 HydrophobicContact CD2-CD2 3.69Å; L320-L322 HydrophobicContact CD1-CD2 3.94Å; L320-L322 HydrophobicContact CD1-CG 4.49Å; L320-L322 HydrophobicContact CD2-CD1 4.27Å; L320-L322 HydrophobicContact CD2-CD2 4.01Å; L320-L322 HydrophobicContact CD2-CG 4.04Å; L320-L322 HydrophobicContact CG-CD2 4.04Å; L320-L322 HydrophobicContact CG-CG 4.07Å
321	Y	98.9	Very high	95.1	Very high	6 Å²	6	41.7 Å²	41.7	2%	0.024	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	125.7	168.5	-61.6	-102.6	0	0	0	109.4	M45 V46 Q47 V48 L153 N303 R318 Y323	M45-Y321 HydrophobicContact CE-CE2 3.65Å; M45-Y321 HydrophobicContact CG-CD2 4.08Å; M45-Y321 HydrophobicContact CG-CE2 3.92Å; M45-Y321 HydrophobicContact SD-CD2 4.08Å; M45-Y321 HydrophobicContact SD-CE2 3.62Å; V46-Y321 PolarHBondContact O-N 2.82Å; Q47-Y321 WeakPolarHBondContact CA-O 3.3Å; Q47-Y321 HydrophobicContact CG-CD2 4.05Å; Q47-Y321 HydrophobicContact CG-CG 4.39Å; V48-Y321 PolarHBondContact N-O 3.21Å; L153-Y321 HydrophobicContact CB-CD1 3.96Å; L153-Y321 HydrophobicContact CB-CE1 4.31Å; L153-Y321 HydrophobicContact CD1-CD1 4.35Å; L153-Y321 HydrophobicContact CD1-CE1 4.29Å; L153-Y321 HydrophobicContact CD2-CD1 4.12Å; L153-Y321 HydrophobicContact CG-CD1 4.37Å; L153-Y321 WeakPolarHBondContact O-CA 3.23Å; N303-Y321 HydrophobicContact CB-CE2 4.37Å; R318-Y321 HydrophobicContact CB-CD2 4.3Å; R318-Y321 HydrophobicContact CB-CE1 4.15Å; R318-Y321 HydrophobicContact CB-CE2 3.74Å; R318-Y321 HydrophobicContact CG-CE1 4.28Å; R318-Y321 PolarHBondContact N-OH 3.48Å; R318-Y321 VanDerWaalsContact O-CE2 3.32Å; R318-Y321 WeakPolarHBondContact O-CE2 3.18Å; Y321-Y323 WeakPolarHBondContact CD1-OH 3.45Å; Y321-Y323 HydrophobicContact CG-CE2 4.41Å
322	L	98.9	Very high	95.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	126.8	177.2	-65.7	-177.7	0	0	0	109.9	V48 F50 V152 L153 V154 R155 L169 L170 L320	V48-L322 HydrophobicContact CB-CD2 3.78Å; V48-L322 HydrophobicContact CG2-CD2 4.05Å; F50-L322 HydrophobicContact CE1-CB 4.18Å; V152-L322 HydrophobicContact CG1-CD1 4.47Å; L153-L322 PolarHBondContact O-N 3.16Å; V154-L322 HydrophobicContact CG1-CB 4.34Å; V154-L322 HydrophobicContact CG2-CD1 4.31Å; R155-L322 PolarHBondContact N-O 3.09Å; L169-L322 HydrophobicContact CD2-CD1 3.71Å; L169-L322 HydrophobicContact CD2-CD2 4.32Å; L170-L322 HydrophobicContact CD2-CD1 3.89Å; L320-L322 HydrophobicContact CD1-CD2 3.94Å; L320-L322 HydrophobicContact CD1-CG 4.49Å; L320-L322 HydrophobicContact CD2-CD1 4.27Å; L320-L322 HydrophobicContact CD2-CD2 4.01Å; L320-L322 HydrophobicContact CD2-CG 4.04Å; L320-L322 HydrophobicContact CG-CD2 4.04Å; L320-L322 HydrophobicContact CG-CG 4.07Å
323	Y	98.9	Very high	95.7	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.016	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	106.4	-180	-61	-73.3	0	0	0	111	V48 V49 F50 L153 R155 L193 F296 M299 L300 N303 Y321	V48-Y323 PolarHBondContact O-N 3.43Å; V49-Y323 WeakPolarHBondContact CA-O 2.84Å; V49-Y323 HydrophobicContact CG2-CD2 4.2Å; F50-Y323 WeakPolarHBondContact CD1-O 3.32Å; F50-Y323 PolarHBondContact N-O 3.19Å; L153-Y323 HydrophobicContact CD2-CE1 4.35Å; R155-Y323 HydrophobicContact CB-CD1 3.88Å; R155-Y323 HydrophobicContact CB-CE1 4.04Å; R155-Y323 HydrophobicContact CG-CD1 4.49Å; R155-Y323 CarbonylContact O-C 3.26Å; R155-Y323 VanDerWaalsContact O-CA 3.28Å; R155-Y323 WeakPolarHBondContact O-CA 3.35Å; L193-Y323 HydrophobicContact CD2-CD1 4.24Å; F296-Y323 AromaticContact CE2-CD1 3.94Å; F296-Y323 HydrophobicContact CE2-CD1 3.94Å; F296-Y323 HydrophobicContact CE2-CD2 4.14Å; F296-Y323 HydrophobicContact CE2-CE1 4.33Å; F296-Y323 HydrophobicContact CE2-CE2 4.48Å; F296-Y323 AromaticContact CE2-CG 3.85Å; F296-Y323 HydrophobicContact CE2-CG 3.85Å; F296-Y323 HydrophobicContact CZ-CD1 4.31Å; F296-Y323 HydrophobicContact CZ-CD2 4.2Å; F296-Y323 AromaticContact CZ-CG 3.84Å; F296-Y323 HydrophobicContact CZ-CG 3.84Å; M299-Y323 HydrophobicContact SD-CE1 3.55Å; M299-Y323 VanDerWaalsContact SD-CE1 3.55Å; L300-Y323 HydrophobicContact CD2-CD2 3.89Å; L300-Y323 HydrophobicContact CD2-CE2 3.59Å; N303-Y323 PolarHBondContact ND2-OH 3.29Å; Y321-Y323 WeakPolarHBondContact CD1-OH 3.45Å; Y321-Y323 HydrophobicContact CG-CE2 4.41Å
324	A	98.9	Very high	96.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	115.7	173.4	0	0	0	0	0	110.6	F50 R155 T157 N162 T166	F50-A324 HydrophobicContact CD2-CB 4.27Å; F50-A324 HydrophobicContact CE1-CB 4.31Å; F50-A324 HydrophobicContact CE2-CB 3.47Å; F50-A324 VanDerWaalsContact CE2-CB 3.47Å; F50-A324 HydrophobicContact CZ-CB 3.51Å; R155-A324 PolarHBondContact O-N 2.86Å; T157-A324 PolarHBondContact N-O 3.39Å; N162-A324 HydrophobicContact CB-CB 4.06Å; T166-A324 WeakPolarHBondContact OG1-CB 3.49Å
325	T	98.8	Very high	97	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	-150.7	-171	69.6	0	0	0	0	111.2	V49 F50 N162 L193 F296 T329	V49-T325 HydrophobicContact CG1-CG2 3.7Å; V49-T325 WeakPolarHBondContact CG1-OG1 3.04Å; F50-T325 PolarHBondContact O-N 3.44Å; F50-T325 PolarHBondContact O-OG1 3.36Å; N162-T325 PolarHBondContact ND2-O 2.9Å; L193-T325 HydrophobicContact CB-CG2 4.11Å; L193-T325 HydrophobicContact CD1-CG2 4.44Å; L193-T325 HydrophobicContact CD2-CG2 4.07Å; L193-T325 HydrophobicContact CG-CG2 4.43Å; F296-T325 HydrophobicContact CE1-CG2 3.82Å; F296-T325 HydrophobicContact CZ-CG2 4.1Å; T325-T329 HydrophobicContact CG2-CG2 4.43Å
326	H	98.9	Very high	97.7	Very high	12 Å²	12	20.4 Å²	20.4	6%	0.056	10%	0.097	C	C	.	.			trans	-137.7	162.2	-173.6	-56.8	-75.2	0	0	0	110.9	T157 N162 Y194 V328 T329 L330	T157-H326 WeakPolarHBondContact CG2-NE2 3.31Å; T157-H326 PolarHBondContact OG1-CE1 2.87Å; T157-H326 PolarHBondContact OG1-NE2 2.76Å; N162-H326 PolarHBondContact ND2-CE1 3.41Å; N162-H326 PolarHBondContact ND2-NE2 2.94Å; Y194-H326 AromaticContact CD1-CD2 3.73Å; Y194-H326 AromaticContact CD1-NE2 3.85Å; H326-V328 VanDerWaalsContact C-N 3.27Å; H326-V328 HydrophobicContact CB-CG2 3.71Å; H326-V328 PolarHBondContact O-N 3.23Å; H326-T329 WeakPolarHBondContact O-CA 3.06Å; H326-T329 VanDerWaalsContact O-CB 3.31Å; H326-T329 WeakPolarHBondContact O-CB 3.46Å; H326-T329 PolarHBondContact O-N 2.96Å; H326-L330 PolarHBondContact O-N 3.23Å
327	D	98.6	Very high	98.2	Very high	18 Å²	18	13.7 Å²	13.7	10%	0.096	7%	0.068	C	C	.	.	H	α-helix	trans	-52.5	-45.1	168.3	39.2	16.6	0	0	0	112.1	R51 T329 L330 M331 W344 P345	R51-D327 IonicContact CZ-OD2 3.94Å; R51-D327 IonicContact NE-OD2 3.2Å; R51-D327 PolarHBondContact NE-OD2 2.71Å; R51-D327 IonicContact NH2-OD2 3.54Å; R51-D327 PolarHBondContact NH2-OD2 2.96Å; D327-T329 PolarHBondContact O-N 2.96Å; D327-T329 VanDerWaalsContact O-N 3.09Å; D327-L330 PolarHBondContact O-N 3.47Å; D327-M331 WeakPolarHBondContact O-CB 3.13Å; D327-M331 PolarHBondContact O-N 3.32Å; D327-W344 HydrophobicContact CB-CZ2 4.12Å; D327-W344 PolarHBondContact OD2-NE1 2.82Å; D327-P345 HydrophobicContact CB-CB 4.22Å; D327-P345 HydrophobicContact CB-CG 4.32Å
328	V	98.1	Very high	98.4	Very high	65 Å²	65	13.7 Å²	13.7	39%	0.394	7%	0.074	S	C	.	.	H	α-helix	trans	-63.3	-12.6	175.9	-62.5	0	0	0	0	114.1	P195 H326 P332	P195-V328 WeakPolarHBondContact CD-O 3.44Å; P195-V328 VanDerWaalsContact CG-O 3.32Å; P195-V328 WeakPolarHBondContact CG-O 3.44Å; H326-V328 VanDerWaalsContact C-N 3.27Å; H326-V328 HydrophobicContact CB-CG2 3.71Å; H326-V328 PolarHBondContact O-N 3.23Å; V328-P332 VanDerWaalsContact O-CD 3.23Å; V328-P332 WeakPolarHBondContact O-CD 3.33Å; V328-P332 WeakPolarHBondContact O-CG 3.39Å
329	T	98.8	Very high	98.4	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-95.5	-47.5	174	-44.5	0	0	0	0	110.8	L193 Y194 V293 F296 T325 H326 D327 P332 I333	L193-T329 WeakPolarHBondContact O-CB 3.1Å; L193-T329 VanDerWaalsContact O-CG2 3.23Å; L193-T329 WeakPolarHBondContact O-CG2 3.44Å; L193-T329 PolarHBondContact O-OG1 2.86Å; Y194-T329 WeakPolarHBondContact CA-OG1 3.38Å; V293-T329 HydrophobicContact CG1-CG2 4.36Å; F296-T329 HydrophobicContact CD1-CG2 3.88Å; F296-T329 HydrophobicContact CE1-CG2 4.13Å; T325-T329 HydrophobicContact CG2-CG2 4.43Å; H326-T329 WeakPolarHBondContact O-CA 3.06Å; H326-T329 VanDerWaalsContact O-CB 3.31Å; H326-T329 WeakPolarHBondContact O-CB 3.46Å; H326-T329 PolarHBondContact O-N 2.96Å; D327-T329 PolarHBondContact O-N 2.96Å; D327-T329 VanDerWaalsContact O-N 3.09Å; T329-P332 WeakPolarHBondContact O-CD 3.48Å; T329-P332 WeakPolarHBondContact O-CG 3.21Å; T329-I333 HydrophobicContact CG2-CD1 3.97Å; T329-I333 WeakPolarHBondContact O-CG1 3.42Å; T329-I333 PolarHBondContact O-N 3.49Å
330	L	98.8	Very high	98.5	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-62.4	-46.4	-177.8	-77	167.8	0	0	0	111.5	V49 R51 H326 D327 I333 L334 P345 V349 L351	V49-L330 HydrophobicContact CB-CD2 4.47Å; V49-L330 HydrophobicContact CG1-CD2 3.99Å; R51-L330 HydrophobicContact CB-CD1 3.93Å; H326-L330 PolarHBondContact O-N 3.23Å; D327-L330 PolarHBondContact O-N 3.47Å; L330-I333 WeakPolarHBondContact O-CB 3.47Å; L330-I333 PolarHBondContact O-N 3.42Å; L330-I333 VanDerWaalsContact O-N 3.08Å; L330-L334 WeakPolarHBondContact O-CG 3.2Å; L330-L334 PolarHBondContact O-N 3.4Å; L330-P345 HydrophobicContact CB-CB 4.14Å; L330-P345 HydrophobicContact CB-CG 4.07Å; L330-P345 HydrophobicContact CD1-CB 4.11Å; L330-V349 HydrophobicContact CD1-CG1 3.49Å; L330-V349 VanDerWaalsContact CD1-CG1 3.49Å; L330-L351 HydrophobicContact CD2-CB 4.08Å
331	M	98.5	Very high	98.4	Very high	14 Å²	14	12.2 Å²	12.2	7%	0.069	7%	0.073	C	C	.	.	H	α-helix	trans	-54	-54.8	-178.4	179.8	169.6	53.1	0	0	112.9	A277 D327 I333 L334 M335 F340 W344 P345	A277-M331 HydrophobicContact CB-CE 3.4Å; A277-M331 VanDerWaalsContact CB-CE 3.4Å; A277-M331 HydrophobicContact CB-SD 3.78Å; D327-M331 WeakPolarHBondContact O-CB 3.13Å; D327-M331 PolarHBondContact O-N 3.32Å; M331-I333 VanDerWaalsContact C-N 3.34Å; M331-I333 PolarHBondContact O-N 2.93Å; M331-L334 PolarHBondContact O-N 2.85Å; M331-M335 HydrophobicContact CG-SD 4.17Å; M331-M335 VanDerWaalsContact O-CG 3.24Å; M331-M335 WeakPolarHBondContact O-CG 3.39Å; M331-M335 PolarHBondContact O-N 3.14Å; M331-F340 HydrophobicContact CB-CE2 4.26Å; M331-F340 HydrophobicContact CG-CD2 4.29Å; M331-F340 HydrophobicContact CG-CE1 4.29Å; M331-F340 HydrophobicContact CG-CE2 3.65Å; M331-F340 HydrophobicContact CG-CZ 3.65Å; M331-F340 HydrophobicContact SD-CE2 4.34Å; M331-F340 HydrophobicContact SD-CZ 3.89Å; M331-W344 HydrophobicContact CE-CZ3 4.47Å; M331-P345 HydrophobicContact CB-CG 4.17Å
332	P	98.3	Very high	98.3	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.013	10%	0.097	C	C	.	.	H	α-helix	trans	-66.6	-27	175.1	20.6	-29.6	0	0	0	115	P195 L281 V293 V328 T329 A336	P195-P332 HydrophobicContact CG-CG 4.42Å; L281-P332 HydrophobicContact CD2-CB 3.89Å; L281-P332 HydrophobicContact CD2-CG 4.25Å; V293-P332 HydrophobicContact CG1-CB 3.92Å; V293-P332 HydrophobicContact CG1-CG 3.57Å; V293-P332 HydrophobicContact CG2-CB 4.05Å; V328-P332 VanDerWaalsContact O-CD 3.23Å; V328-P332 WeakPolarHBondContact O-CD 3.33Å; V328-P332 WeakPolarHBondContact O-CG 3.39Å; T329-P332 WeakPolarHBondContact O-CD 3.48Å; T329-P332 WeakPolarHBondContact O-CG 3.21Å; P332-A336 WeakPolarHBondContact O-CB 3.38Å; P332-A336 PolarHBondContact O-N 3.39Å
333	I	98.5	Very high	98.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-65.9	-47	170.7	-72.3	173.1	0	0	0	110.6	V293 F296 L297 T329 L330 M331 M335 A336 L337 L351	V293-I333 HydrophobicContact CB-CG1 4.05Å; V293-I333 HydrophobicContact CG1-CG1 4.1Å; V293-I333 HydrophobicContact CG2-CG1 4.28Å; F296-I333 HydrophobicContact CD1-CD1 3.61Å; F296-I333 HydrophobicContact CE1-CD1 3.67Å; L297-I333 HydrophobicContact CD2-CG1 4.27Å; L297-I333 HydrophobicContact CD2-CG2 4.28Å; T329-I333 HydrophobicContact CG2-CD1 3.97Å; T329-I333 WeakPolarHBondContact O-CG1 3.42Å; T329-I333 PolarHBondContact O-N 3.49Å; L330-I333 WeakPolarHBondContact O-CB 3.47Å; L330-I333 PolarHBondContact O-N 3.42Å; L330-I333 VanDerWaalsContact O-N 3.08Å; M331-I333 VanDerWaalsContact C-N 3.34Å; M331-I333 PolarHBondContact O-N 2.93Å; I333-M335 VanDerWaalsContact C-N 3.27Å; I333-M335 PolarHBondContact O-N 3.14Å; I333-A336 PolarHBondContact O-N 2.65Å; I333-A336 VanDerWaalsContact O-N 3.16Å; I333-L337 HydrophobicContact CG2-CD1 3.82Å; I333-L337 HydrophobicContact CG2-CG 4.37Å; I333-L337 WeakPolarHBondContact O-CG 3.37Å; I333-L337 PolarHBondContact O-N 2.86Å; I333-L351 HydrophobicContact CG2-CD2 3.52Å
334	L	98.7	Very high	98.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-61.5	-39.2	178.3	-64.2	169.8	0	0	0	110.7	L330 M331 L337 G338 I339 F340 L351 Y370	L330-L334 WeakPolarHBondContact O-CG 3.2Å; L330-L334 PolarHBondContact O-N 3.4Å; M331-L334 PolarHBondContact O-N 2.85Å; L334-L337 PolarHBondContact O-N 3.41Å; L334-G338 PolarHBondContact O-N 3.47Å; L334-I339 HydrophobicContact CB-CG1 4.31Å; L334-I339 HydrophobicContact CD2-CD1 3.47Å; L334-I339 VanDerWaalsContact CD2-CD1 3.47Å; L334-I339 HydrophobicContact CD2-CG1 3.72Å; L334-I339 PolarHBondContact O-N 2.98Å; L334-F340 HydrophobicContact CB-CB 3.89Å; L334-F340 HydrophobicContact CB-CD2 3.98Å; L334-F340 HydrophobicContact CB-CG 4.4Å; L334-F340 HydrophobicContact CD1-CD2 4.03Å; L334-F340 PolarHBondContact O-N 3.34Å; L334-L351 HydrophobicContact CD2-CD1 4.23Å; L334-Y370 HydrophobicContact CD1-CD2 4.3Å; L334-Y370 HydrophobicContact CD1-CE1 4.06Å; L334-Y370 HydrophobicContact CD1-CE2 3.72Å; L334-Y370 HydrophobicContact CD2-CD1 4.43Å; L334-Y370 HydrophobicContact CD2-CD2 3.83Å; L334-Y370 HydrophobicContact CD2-CE2 4.1Å; L334-Y370 HydrophobicContact CD2-CG 4.01Å; L334-Y370 HydrophobicContact CG-CE2 4.49Å
335	M	98.1	Very high	98.3	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.015	13%	0.127	C	C	.	.	H	α-helix	trans	-62.7	-45.4	173.2	-67.2	162	65.2	0	0	112	L278 L281 Q283 I289 M331 I333 L337 G338 F340	L278-M335 HydrophobicContact CD2-CE 3.76Å; L278-M335 HydrophobicContact CD2-CG 4.48Å; L278-M335 HydrophobicContact CD2-SD 3.75Å; L281-M335 WeakPolarHBondContact O-CE 3.18Å; Q283-M335 VanDerWaalsContact CA-CE 3.43Å; Q283-M335 HydrophobicContact CB-CE 3.71Å; Q283-M335 HydrophobicContact CG-CB 4.41Å; Q283-M335 HydrophobicContact CG-CE 4.12Å; I289-M335 HydrophobicContact CD1-CE 4.07Å; M331-M335 HydrophobicContact CG-SD 4.17Å; M331-M335 VanDerWaalsContact O-CG 3.24Å; M331-M335 WeakPolarHBondContact O-CG 3.39Å; M331-M335 PolarHBondContact O-N 3.14Å; I333-M335 VanDerWaalsContact C-N 3.27Å; I333-M335 PolarHBondContact O-N 3.14Å; M335-L337 VanDerWaalsContact C-N 3.32Å; M335-L337 PolarHBondContact O-N 3.11Å; M335-G338 PolarHBondContact O-N 2.88Å; M335-G338 VanDerWaalsContact O-N 3.1Å; M335-F340 HydrophobicContact CG-CB 3.97Å; M335-F340 HydrophobicContact CG-CD1 4.01Å; M335-F340 HydrophobicContact CG-CG 4.01Å
336	A	97.6	Very high	98.3	Very high	2 Å²	2	26.9 Å²	26.9	2%	0.017	14%	0.143	C	C	.	.	H	α-helix	trans	-63.6	-36.7	178.5	0	0	0	0	0	112.6	I289 L297 P332 I333 G338 Y397	I289-A336 HydrophobicContact CG2-CB 4.14Å; L297-A336 HydrophobicContact CD1-CB 3.89Å; P332-A336 WeakPolarHBondContact O-CB 3.38Å; P332-A336 PolarHBondContact O-N 3.39Å; I333-A336 PolarHBondContact O-N 2.65Å; I333-A336 VanDerWaalsContact O-N 3.16Å; A336-G338 VanDerWaalsContact C-N 3.3Å; A336-Y397 HydrophobicContact CB-CD1 4.16Å; A336-Y397 HydrophobicContact CB-CD2 3.66Å; A336-Y397 HydrophobicContact CB-CE2 4.12Å; A336-Y397 HydrophobicContact CB-CG 3.68Å; A336-Y397 VanDerWaalsContact O-CE2 3.24Å; A336-Y397 WeakPolarHBondContact O-CE2 3.49Å
337	L	97.9	Very high	98.3	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.01	15%	0.145	C	C	.	.	H	α-helix	trans	-81.4	-10	175.4	-63.9	176.6	0	0	0	112.8	I333 L334 M335 I339 L351 L368 P377 R378 F390 M394	I333-L337 HydrophobicContact CG2-CD1 3.82Å; I333-L337 HydrophobicContact CG2-CG 4.37Å; I333-L337 WeakPolarHBondContact O-CG 3.37Å; I333-L337 PolarHBondContact O-N 2.86Å; L334-L337 PolarHBondContact O-N 3.41Å; M335-L337 VanDerWaalsContact C-N 3.32Å; M335-L337 PolarHBondContact O-N 3.11Å; L337-I339 HydrophobicContact CB-CG1 3.98Å; L337-L351 HydrophobicContact CD1-CD2 4Å; L337-L368 HydrophobicContact CD1-CD2 3.9Å; L337-P377 WeakPolarHBondContact O-CA 3.3Å; L337-R378 PolarHBondContact O-N 3.2Å; L337-F390 HydrophobicContact CD2-CE2 4.19Å; L337-F390 HydrophobicContact CD2-CZ 4.2Å; L337-M394 HydrophobicContact CD2-CG 4.23Å
338	G	97.6	Very high	98.3	Very high	31 Å²	31	27.2 Å²	27.2	32%	0.32	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	27.7	179.7	0	0	0	0	0	114.6	L334 M335 A336	L334-G338 PolarHBondContact O-N 3.47Å; M335-G338 PolarHBondContact O-N 2.88Å; M335-G338 VanDerWaalsContact O-N 3.1Å; A336-G338 VanDerWaalsContact C-N 3.3Å
339	I	98	Very high	98.3	Very high	13 Å²	13	24.1 Å²	24.1	7%	0.067	13%	0.127	C	C	.	.			trans	-121.5	17.3	-178.1	60.9	158.4	0	0	0	112.3	L334 L337 D341 L351 L368 Q375	L334-I339 HydrophobicContact CB-CG1 4.31Å; L334-I339 HydrophobicContact CD2-CD1 3.47Å; L334-I339 VanDerWaalsContact CD2-CD1 3.47Å; L334-I339 HydrophobicContact CD2-CG1 3.72Å; L334-I339 PolarHBondContact O-N 2.98Å; L337-I339 HydrophobicContact CB-CG1 3.98Å; I339-D341 PolarHBondContact O-N 2.83Å; I339-L351 HydrophobicContact CD1-CD1 3.98Å; I339-L368 HydrophobicContact CD1-CD2 3.58Å; I339-Q375 HydrophobicContact CD1-CB 4.24Å; I339-Q375 HydrophobicContact CD1-CG 3.99Å; I339-Q375 HydrophobicContact CG2-CB 4.16Å
340	F	98.2	Very high	98.3	Very high	19 Å²	19	24.2 Å²	24.2	8%	0.083	13%	0.127	C	C	.	.			trans	-69.4	125.5	176.8	-173.8	-126.3	0	0	0	110.4	V274 L278 M331 L334 M335 H342 K343	V274-F340 HydrophobicContact CG1-CE1 3.86Å; V274-F340 HydrophobicContact CG1-CZ 3.79Å; L278-F340 HydrophobicContact CD1-CE1 4.16Å; L278-F340 HydrophobicContact CD2-CD1 4.32Å; L278-F340 HydrophobicContact CD2-CE1 3.95Å; L278-F340 HydrophobicContact CG-CE1 4.29Å; M331-F340 HydrophobicContact CB-CE2 4.26Å; M331-F340 HydrophobicContact CG-CD2 4.29Å; M331-F340 HydrophobicContact CG-CE1 4.29Å; M331-F340 HydrophobicContact CG-CE2 3.65Å; M331-F340 HydrophobicContact CG-CZ 3.65Å; M331-F340 HydrophobicContact SD-CE2 4.34Å; M331-F340 HydrophobicContact SD-CZ 3.89Å; L334-F340 HydrophobicContact CB-CB 3.89Å; L334-F340 HydrophobicContact CB-CD2 3.98Å; L334-F340 HydrophobicContact CB-CG 4.4Å; L334-F340 HydrophobicContact CD1-CD2 4.03Å; L334-F340 PolarHBondContact O-N 3.34Å; M335-F340 HydrophobicContact CG-CB 3.97Å; M335-F340 HydrophobicContact CG-CD1 4.01Å; M335-F340 HydrophobicContact CG-CG 4.01Å; F340-H342 VanDerWaalsContact C-N 3.33Å; F340-K343 VanDerWaalsContact CE2-O 3.28Å; F340-K343 WeakPolarHBondContact CE2-O 3.47Å
341	D	97.6	Very high	98.3	Very high	66 Å²	66	24.2 Å²	24.2	35%	0.353	13%	0.128	S	C	.	.			trans	-93.8	10.7	-173.5	67.3	-17.9	0	0	0	113.3	I339 K343	I339-D341 PolarHBondContact O-N 2.83Å; D341-K343 PolarHBondContact O-N 3.16Å; D341-K343 PolarHBondContact OD1-N 2.81Å
342	H	97.3	Very high	98.4	Very high	116 Å²	116	23.7 Å²	23.7	54%	0.537	13%	0.125	S	C	.	.	S	Bend	trans	57.6	27.1	-175.8	-66.3	-88.2	0	0	0	114.3	F340	F340-H342 VanDerWaalsContact C-N 3.33Å
343	K	98.3	Very high	98.4	Very high	120 Å²	120	23.8 Å²	23.8	52%	0.522	13%	0.125	S	C	.	.	S	Bend	trans	-113.9	157.6	171.9	-63.8	179.5	-173.1	166.3	0	111	F340 D341	F340-K343 VanDerWaalsContact CE2-O 3.28Å; F340-K343 WeakPolarHBondContact CE2-O 3.47Å; D341-K343 PolarHBondContact O-N 3.16Å; D341-K343 PolarHBondContact OD1-N 2.81Å
344	W	98.7	Very high	98.4	Very high	32 Å²	32	24.1 Å²	24.1	12%	0.121	13%	0.127	C	C	.	.			trans	-71.5	130	173.5	-166.5	-89.8	0	0	0	109	F242 L245 E270 A273 V274 A277 D327 M331 P346	F242-W344 AromaticContact CD1-CH2 3.72Å; F242-W344 HydrophobicContact CD1-CH2 3.72Å; F242-W344 AromaticContact CD1-CZ3 3.87Å; F242-W344 HydrophobicContact CD1-CZ3 3.87Å; F242-W344 AromaticContact CE1-CH2 3.9Å; F242-W344 HydrophobicContact CE1-CH2 3.9Å; F242-W344 AromaticContact CE1-CZ3 3.79Å; F242-W344 HydrophobicContact CE1-CZ3 3.79Å; L245-W344 HydrophobicContact CD2-CB 3.81Å; L245-W344 HydrophobicContact CD2-CD2 3.33Å; L245-W344 HydrophobicContact CD2-CE3 3.53Å; L245-W344 HydrophobicContact CD2-CG 3.47Å; L245-W344 VanDerWaalsContact CD2-CG 3.47Å; L245-W344 HydrophobicContact CD2-CZ3 4.24Å; E270-W344 HydrophobicContact CG-CB 3.93Å; E270-W344 PolarHBondContact OE1-N 2.63Å; A273-W344 HydrophobicContact CB-CE3 4.21Å; A273-W344 HydrophobicContact CB-CZ3 4.2Å; V274-W344 HydrophobicContact CG2-CB 4.33Å; V274-W344 HydrophobicContact CG2-CE3 4.25Å; A277-W344 HydrophobicContact CB-CZ3 4.43Å; D327-W344 HydrophobicContact CB-CZ2 4.12Å; D327-W344 PolarHBondContact OD2-NE1 2.82Å; M331-W344 HydrophobicContact CE-CZ3 4.47Å; W344-P346 WeakPolarHBondContact O-CD 3.31Å
345	P	98.7	Very high	98.4	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.127	C	C	.	.			trans	-56	113.3	179	-26.6	35	0	0	0	111	R51 D327 L330 M331 V349	R51-P345 WeakPolarHBondContact CD-O 3.44Å; R51-P345 PolarHBondContact NH1-O 3.31Å; D327-P345 HydrophobicContact CB-CB 4.22Å; D327-P345 HydrophobicContact CB-CG 4.32Å; L330-P345 HydrophobicContact CB-CB 4.14Å; L330-P345 HydrophobicContact CB-CG 4.07Å; L330-P345 HydrophobicContact CD1-CB 4.11Å; M331-P345 HydrophobicContact CB-CG 4.17Å; P345-V349 HydrophobicContact CB-CG1 3.94Å
346	P	98.7	Very high	98.4	Very high	50 Å²	50	25.5 Å²	25.5	33%	0.325	13%	0.132	S	C	.	.			trans	-70.1	168	-171.4	23.8	-28.8	0	0	0	112.1	R51 W344 V349	R51-P346 VanDerWaalsContact CD-O 3.28Å; R51-P346 WeakPolarHBondContact CD-O 3.24Å; R51-P346 VanDerWaalsContact NH1-C 3.34Å; W344-P346 WeakPolarHBondContact O-CD 3.31Å; P346-V349 HydrophobicContact CG-CB 3.87Å; P346-V349 HydrophobicContact CG-CG2 4.03Å; P346-V349 WeakPolarHBondContact O-CB 3.36Å; P346-V349 WeakPolarHBondContact O-CG1 3.45Å; P346-V349 PolarHBondContact O-N 2.85Å
347	F	98.9	Very high	98.5	Very high	23 Å²	23	27.2 Å²	27.2	10%	0.101	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	143.9	173.9	-67	-57.5	0	0	0	110.8	H52 G53 A54 R55 A249 V253 V349	H52-F347 AromaticContact CE1-CE1 3.87Å; G53-F347 WeakPolarHBondContact O-CD1 3.49Å; A54-F347 HydrophobicContact CB-CB 4.48Å; A54-F347 HydrophobicContact CB-CD2 4.01Å; A54-F347 HydrophobicContact CB-CE2 4.47Å; A54-F347 HydrophobicContact CB-CG 4.23Å; R55-F347 HydrophobicContact CG-CE1 3.82Å; R55-F347 HydrophobicContact CG-CZ 4.18Å; A249-F347 HydrophobicContact CB-CE2 4.27Å; V253-F347 HydrophobicContact CB-CD2 4.49Å; V253-F347 HydrophobicContact CG1-CD2 4.03Å; V253-F347 HydrophobicContact CG1-CE2 3.94Å; F347-V349 PolarHBondContact O-N 2.94Å
348	A	98.9	Very high	98.5	Very high	14 Å²	14	27.9 Å²	27.9	12%	0.116	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	13.1	-177.7	0	0	0	0	0	115.8	R51 H52 Q124 M125	R51-A348 WeakPolarHBondContact O-CA 3.12Å; H52-A348 PolarHBondContact O-N 3.27Å; Q124-A348 HydrophobicContact CB-CB 3.62Å; M125-A348 HydrophobicContact SD-CB 3.57Å; M125-A348 VanDerWaalsContact SD-CB 3.57Å
349	V	98.9	Very high	98.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.148	C	C	.	.			trans	-66.7	146.3	174.8	78.3	0	0	0	0	110.7	F50 R51 L330 P345 P346 F347 Y370 H371	F50-V349 CarbonylContact C-O 3.39Å; F50-V349 VanDerWaalsContact CA-O 3.26Å; F50-V349 WeakPolarHBondContact CA-O 3.35Å; R51-V349 HydrophobicContact CB-CG1 4.12Å; R51-V349 PolarHBondContact N-O 3.09Å; L330-V349 HydrophobicContact CD1-CG1 3.49Å; L330-V349 VanDerWaalsContact CD1-CG1 3.49Å; P345-V349 HydrophobicContact CB-CG1 3.94Å; P346-V349 HydrophobicContact CG-CB 3.87Å; P346-V349 HydrophobicContact CG-CG2 4.03Å; P346-V349 WeakPolarHBondContact O-CB 3.36Å; P346-V349 WeakPolarHBondContact O-CG1 3.45Å; P346-V349 PolarHBondContact O-N 2.85Å; F347-V349 PolarHBondContact O-N 2.94Å; V349-Y370 HydrophobicContact CB-CE2 4.47Å; V349-Y370 HydrophobicContact CG1-CE2 4.21Å; V349-Y370 HydrophobicContact CG2-CD2 4.08Å; V349-Y370 HydrophobicContact CG2-CE2 3.41Å; V349-Y370 VanDerWaalsContact CG2-CE2 3.41Å; V349-H371 HydrophobicContact CG2-CB 3.7Å
350	D	98.9	Very high	98.4	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	148.7	178.5	71.4	-72.9	0	0	0	112.4	V48 V49 F50 L128 R131 T352 Y370 H371	V48-D350 HydrophobicContact CG1-CB 4Å; V49-D350 CarbonylContact O-C 3.48Å; V49-D350 WeakPolarHBondContact O-CA 3.43Å; F50-D350 HydrophobicContact CB-CB 4.19Å; L128-D350 HydrophobicContact CD1-CB 4.16Å; L128-D350 HydrophobicContact CD2-CB 4.17Å; R131-D350 IonicContact CZ-OD1 3.07Å; R131-D350 IonicContact CZ-OD2 2.78Å; R131-D350 IonicContact NH1-OD1 2.69Å; R131-D350 PolarHBondContact NH1-OD1 3.13Å; R131-D350 IonicContact NH2-OD1 2.78Å; R131-D350 PolarHBondContact NH2-OD1 3.02Å; R131-D350 IonicContact NH2-OD2 2.7Å; R131-D350 PolarHBondContact NH2-OD2 3.42Å; D350-T352 PolarHBondContact OD2-OG1 2.85Å; D350-Y370 WeakPolarHBondContact O-CA 3.35Å; D350-Y370 WeakPolarHBondContact O-CD2 3.33Å; D350-H371 PolarHBondContact O-N 3.47Å
351	L	98.9	Very high	98.3	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	111.9	162.5	176.6	70	0	0	0	107	V49 L330 I333 L334 L337 I339 L368 Y369	V49-L351 HydrophobicContact CB-CB 4.35Å; V49-L351 PolarHBondContact N-O 3.21Å; V49-L351 PolarHBondContact O-N 3.39Å; L330-L351 HydrophobicContact CD2-CB 4.08Å; I333-L351 HydrophobicContact CG2-CD2 3.52Å; L334-L351 HydrophobicContact CD2-CD1 4.23Å; L337-L351 HydrophobicContact CD1-CD2 4Å; I339-L351 HydrophobicContact CD1-CD1 3.98Å; L351-L368 HydrophobicContact CD1-CD1 3.72Å; L351-L368 HydrophobicContact CD1-CD2 4.01Å; L351-L368 HydrophobicContact CD1-CG 3.83Å; L351-L368 HydrophobicContact CG-CD1 4.19Å; L351-Y369 CarbonylContact C-O 3.55Å; L351-Y369 WeakPolarHBondContact CA-O 3.39Å
352	T	98.9	Very high	98.3	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.018	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	128.2	-177.8	-66.6	0	0	0	0	109.9	V46 Q47 V48 Y136 D350 E354 L368 Y369	V46-T352 HydrophobicContact CG1-CG2 3.99Å; Q47-T352 WeakPolarHBondContact O-CA 3.2Å; V48-T352 HydrophobicContact CG2-CG2 4.29Å; Y136-T352 VanDerWaalsContact OH-CG2 3.23Å; Y136-T352 WeakPolarHBondContact OH-CG2 3.34Å; D350-T352 PolarHBondContact OD2-OG1 2.85Å; T352-E354 HydrophobicContact CG2-CG 4.33Å; T352-L368 CarbonylContact O-C 3.6Å; T352-L368 WeakPolarHBondContact O-CA 3.31Å; T352-Y369 PolarHBondContact N-O 3.27Å; T352-Y369 PolarHBondContact O-N 3.38Å
353	M	98.8	Very high	98.3	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.02	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	113	-175.4	-162.1	-178.5	-51.2	0	0	109.2	V46 Q47 L300 L304 V366 L368 F390	V46-M353 CarbonylContact C-O 3.47Å; V46-M353 WeakPolarHBondContact CA-O 3.18Å; Q47-M353 HydrophobicContact CB-CB 4.36Å; Q47-M353 PolarHBondContact N-O 2.93Å; Q47-M353 PolarHBondContact O-N 3.38Å; L300-M353 HydrophobicContact CD1-CE 4.41Å; L304-M353 HydrophobicContact CD1-SD 4.18Å; M353-V366 HydrophobicContact CG-CG1 3.8Å; M353-L368 HydrophobicContact CB-CD1 3.8Å; M353-L368 HydrophobicContact CE-CD1 3.92Å; M353-L368 HydrophobicContact CG-CD1 3.72Å; M353-F390 HydrophobicContact CE-CE1 4.46Å; M353-F390 HydrophobicContact CE-CZ 4.05Å; M353-F390 HydrophobicContact CG-CE1 4.38Å; M353-F390 HydrophobicContact CG-CZ 4.25Å; M353-F390 HydrophobicContact SD-CE1 3.51Å; M353-F390 VanDerWaalsContact SD-CE1 3.51Å; M353-F390 HydrophobicContact SD-CZ 3.59Å; M353-F390 VanDerWaalsContact SD-CZ 3.59Å
354	E	98.9	Very high	98.3	Very high	7 Å²	7	38.1 Å²	38.1	3%	0.033	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	134.1	-177.3	-62.4	179.1	163.7	0	0	109.9	L43 M45 V46 Y136 T352 Y356 V366 Q367 Y369	L43-E354 HydrophobicContact CD1-CB 3.85Å; L43-E354 HydrophobicContact CD1-CG 4.29Å; M45-E354 WeakPolarHBondContact O-CA 3.3Å; V46-E354 HydrophobicContact CG2-CG 4.36Å; Y136-E354 WeakPolarHBondContact CE1-OE1 3.48Å; Y136-E354 VanDerWaalsContact CZ-OE1 3.28Å; Y136-E354 PolarHBondContact OH-OE1 3.14Å; T352-E354 HydrophobicContact CG2-CG 4.33Å; E354-Y356 HydrophobicContact CB-CD2 4.18Å; E354-Y356 HydrophobicContact CB-CE2 3.45Å; E354-Y356 VanDerWaalsContact CB-CE2 3.45Å; E354-Y356 HydrophobicContact CG-CE2 4.41Å; E354-Y356 VanDerWaalsContact OE2-CE2 3.3Å; E354-Y356 WeakPolarHBondContact OE2-CE2 3.31Å; E354-Y356 PolarHBondContact OE2-OH 2.04Å; E354-V366 CarbonylContact O-C 3.56Å; E354-V366 VanDerWaalsContact O-CA 3.26Å; E354-V366 WeakPolarHBondContact O-CA 3.34Å; E354-Q367 HydrophobicContact CB-CB 4.4Å; E354-Q367 PolarHBondContact N-O 2.92Å; E354-Q367 PolarHBondContact O-N 3.03Å; E354-Y369 VanDerWaalsContact CD-CE2 3.47Å; E354-Y369 HydrophobicContact CG-CE2 4.13Å; E354-Y369 VanDerWaalsContact OE2-CE2 3.26Å; E354-Y369 WeakPolarHBondContact OE2-CE2 3.49Å; E354-Y369 PolarHBondContact OE2-OH 2.9Å
355	L	98.8	Very high	98.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	122.7	175.3	178	67.5	0	0	0	109.4	K44 M45 L304 A307 V308 W364 F365 V366 L387	K44-L355 PolarHBondContact N-O 3.24Å; M45-L355 HydrophobicContact CB-CB 4.05Å; M45-L355 HydrophobicContact CB-CD2 4.26Å; M45-L355 PolarHBondContact N-O 3.31Å; M45-L355 PolarHBondContact O-N 3.21Å; L304-L355 HydrophobicContact CD2-CB 4.07Å; L304-L355 HydrophobicContact CD2-CD1 4.27Å; L304-L355 HydrophobicContact CD2-CD2 4.13Å; L304-L355 HydrophobicContact CD2-CG 4.39Å; A307-L355 HydrophobicContact CB-CD2 3.45Å; A307-L355 VanDerWaalsContact CB-CD2 3.45Å; V308-L355 HydrophobicContact CG1-CD2 4.15Å; L355-W364 HydrophobicContact CD1-CE3 3.76Å; L355-W364 HydrophobicContact CD1-CZ3 4.37Å; L355-W364 HydrophobicContact CD2-CE3 3.97Å; L355-W364 HydrophobicContact CD2-CZ3 3.76Å; L355-W364 HydrophobicContact CG-CE3 3.75Å; L355-W364 HydrophobicContact CG-CZ3 3.87Å; L355-F365 WeakPolarHBondContact CA-O 3.27Å; L355-V366 HydrophobicContact CD1-CG2 4.07Å; L355-L387 HydrophobicContact CD1-CD1 4.03Å; L355-L387 HydrophobicContact CD1-CD2 4.22Å
356	Y	98.8	Very high	98.3	Very high	31 Å²	31	37.3 Å²	37.3	12%	0.122	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	149.8	178.6	-66.3	-89.2	0	0	0	111.4	L41 E42 L43 E354 W364 F365 Q367	L41-Y356 HydrophobicContact CB-CD1 3.88Å; L41-Y356 HydrophobicContact CB-CG 4.34Å; E42-Y356 WeakPolarHBondContact O-CA 3.48Å; L43-Y356 HydrophobicContact CB-CD1 4.04Å; L43-Y356 HydrophobicContact CB-CE1 3.7Å; L43-Y356 HydrophobicContact CD1-CD1 4.2Å; L43-Y356 HydrophobicContact CD1-CD2 4.46Å; L43-Y356 HydrophobicContact CD1-CE1 3.78Å; L43-Y356 HydrophobicContact CD1-CE2 4.06Å; L43-Y356 HydrophobicContact CG-CE1 4.29Å; E354-Y356 HydrophobicContact CB-CD2 4.18Å; E354-Y356 HydrophobicContact CB-CE2 3.45Å; E354-Y356 VanDerWaalsContact CB-CE2 3.45Å; E354-Y356 HydrophobicContact CG-CE2 4.41Å; E354-Y356 VanDerWaalsContact OE2-CE2 3.3Å; E354-Y356 WeakPolarHBondContact OE2-CE2 3.31Å; E354-Y356 PolarHBondContact OE2-OH 2.04Å; Y356-W364 WeakPolarHBondContact O-CA 3.27Å; Y356-F365 PolarHBondContact N-O 3.39Å; Y356-F365 PolarHBondContact O-N 2.88Å; Y356-Q367 HydrophobicContact CD2-CB 4.44Å; Y356-Q367 HydrophobicContact CE2-CB 4.02Å
357	Q	98.3	Very high	98.3	Very high	38 Å²	38	35.3 Å²	35.3	18%	0.178	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	130.8	164.5	-169.6	178.8	34.5	0	0	109.4	E42 K44 K362 E363 W364	E42-Q357 PolarHBondContact N-O 2.92Å; E42-Q357 PolarHBondContact O-N 3.18Å; K44-Q357 HydrophobicContact CG-CB 3.99Å; Q357-K362 PolarHBondContact NE2-O 2.87Å; Q357-E363 WeakPolarHBondContact CA-O 3.48Å; Q357-W364 HydrophobicContact CB-CD2 4.07Å; Q357-W364 HydrophobicContact CB-CE3 3.85Å; Q357-W364 HydrophobicContact CB-CH2 4.07Å; Q357-W364 HydrophobicContact CB-CZ2 4.24Å; Q357-W364 HydrophobicContact CB-CZ3 3.88Å; Q357-W364 HydrophobicContact CG-CD2 4.08Å; Q357-W364 HydrophobicContact CG-CE3 4.37Å; Q357-W364 HydrophobicContact CG-CH2 4.39Å; Q357-W364 HydrophobicContact CG-CZ2 4.06Å
358	H	98.2	Very high	98.3	Very high	17 Å²	17	34.2 Å²	34.2	8%	0.079	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	128.4	173.5	-169.3	-77.2	0	0	0	110.4	L41 E360 S361 K362 E363 F365	L41-H358 HydrophobicContact CD2-CB 4.13Å; H358-E360 VanDerWaalsContact C-N 3.34Å; H358-E360 PolarHBondContact ND1-N 3.3Å; H358-E360 PolarHBondContact O-N 3.29Å; H358-S361 WeakPolarHBondContact CB-OG 3.39Å; H358-S361 PolarHBondContact ND1-N 2.91Å; H358-S361 PolarHBondContact ND1-OG 3.28Å; H358-K362 WeakPolarHBondContact O-CA 3.29Å; H358-K362 PolarHBondContact O-N 3.39Å; H358-E363 PolarHBondContact N-O 3.21Å; H358-F365 HydrophobicContact CB-CE2 4.06Å
359	Q	97	Very high	98.3	Very high	92 Å²	92	35.9 Å²	35.9	43%	0.43	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-34.3	-171.8	-72.1	177.2	24.1	0	0	113.1	L40 E42 K362	L40-Q359 WeakPolarHBondContact O-CB 3.02Å; L40-Q359 VanDerWaalsContact O-CG 3.31Å; L40-Q359 WeakPolarHBondContact O-CG 3.48Å; L40-Q359 PolarHBondContact O-N 3.4Å; E42-Q359 HydrophobicContact CB-CG 4.25Å; Q359-K362 WeakPolarHBondContact O-CD 3.11Å; Q359-K362 WeakPolarHBondContact O-CE 3.31Å; Q359-K362 PolarHBondContact O-NZ 3.46Å
360	E	96.4	Very high	98.3	Very high	141 Å²	141	36.3 Å²	36.3	66%	0.659	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-64.8	-179.8	-57.2	-175	166	0	0	112.8	L40 H358 K362	L40-E360 HydrophobicContact CD1-CG 4.09Å; H358-E360 VanDerWaalsContact C-N 3.34Å; H358-E360 PolarHBondContact ND1-N 3.3Å; H358-E360 PolarHBondContact O-N 3.29Å; E360-K362 PolarHBondContact O-N 3.01Å
361	S	96.9	Very high	98.3	Very high	59 Å²	59	41.3 Å²	41.3	41%	0.413	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-19.6	-178.8	72.1	0	0	0	0	114.5	H358 E363	H358-S361 WeakPolarHBondContact CB-OG 3.39Å; H358-S361 PolarHBondContact ND1-N 2.91Å; H358-S361 PolarHBondContact ND1-OG 3.28Å; S361-E363 PolarHBondContact O-N 3.18Å; S361-E363 WeakPolarHBondContact OG-CB 3.49Å; S361-E363 WeakPolarHBondContact OG-CG 3.44Å; S361-E363 PolarHBondContact OG-N 3.02Å; S361-E363 PolarHBondContact OG-OE2 2.67Å
362	K	96.5	Very high	98.2	Very high	123 Å²	123	42.9 Å²	42.9	54%	0.535	21%	0.209	S	C	.	.			trans	62.8	11	-172.7	-52	-55.1	-173.2	-173.3	0	114.5	Q357 H358 Q359 E360	Q357-K362 PolarHBondContact NE2-O 2.87Å; H358-K362 WeakPolarHBondContact O-CA 3.29Å; H358-K362 PolarHBondContact O-N 3.39Å; Q359-K362 WeakPolarHBondContact O-CD 3.11Å; Q359-K362 WeakPolarHBondContact O-CE 3.31Å; Q359-K362 PolarHBondContact O-NZ 3.46Å; E360-K362 PolarHBondContact O-N 3.01Å
363	E	97.6	Very high	98.1	Very high	110 Å²	110	49.3 Å²	49.3	51%	0.514	24%	0.238	S	C	.	.			trans	-68.5	153.2	174.5	-67.4	173	140.1	0	0	111.3	Q357 H358 S361 F365	Q357-E363 WeakPolarHBondContact CA-O 3.48Å; H358-E363 PolarHBondContact N-O 3.21Å; S361-E363 PolarHBondContact O-N 3.18Å; S361-E363 WeakPolarHBondContact OG-CB 3.49Å; S361-E363 WeakPolarHBondContact OG-CG 3.44Å; S361-E363 PolarHBondContact OG-N 3.02Å; S361-E363 PolarHBondContact OG-OE2 2.67Å; E363-F365 HydrophobicContact CB-CE2 3.69Å; E363-F365 HydrophobicContact CB-CZ 3.97Å
364	W	98.5	Very high	98.1	Very high	55 Å²	55	51.3 Å²	51.3	21%	0.208	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	139.3	-176.7	-68.4	88.9	0	0	0	110.9	K44 V308 L355 Y356 Q357 L387	K44-W364 HydrophobicContact CB-CH2 4.35Å; K44-W364 HydrophobicContact CB-CZ3 3.81Å; K44-W364 HydrophobicContact CG-CH2 3.94Å; K44-W364 HydrophobicContact CG-CZ3 3.58Å; V308-W364 HydrophobicContact CB-CD2 4.27Å; V308-W364 HydrophobicContact CB-CZ2 4.08Å; V308-W364 HydrophobicContact CG1-CD2 3.42Å; V308-W364 VanDerWaalsContact CG1-CD2 3.42Å; V308-W364 HydrophobicContact CG1-CE3 3.58Å; V308-W364 HydrophobicContact CG1-CG 3.94Å; V308-W364 HydrophobicContact CG1-CH2 3.95Å; V308-W364 HydrophobicContact CG1-CZ2 3.84Å; V308-W364 HydrophobicContact CG1-CZ3 3.81Å; L355-W364 HydrophobicContact CD1-CE3 3.76Å; L355-W364 HydrophobicContact CD1-CZ3 4.37Å; L355-W364 HydrophobicContact CD2-CE3 3.97Å; L355-W364 HydrophobicContact CD2-CZ3 3.76Å; L355-W364 HydrophobicContact CG-CE3 3.75Å; L355-W364 HydrophobicContact CG-CZ3 3.87Å; Y356-W364 WeakPolarHBondContact O-CA 3.27Å; Q357-W364 HydrophobicContact CB-CD2 4.07Å; Q357-W364 HydrophobicContact CB-CE3 3.85Å; Q357-W364 HydrophobicContact CB-CH2 4.07Å; Q357-W364 HydrophobicContact CB-CZ2 4.24Å; Q357-W364 HydrophobicContact CB-CZ3 3.88Å; Q357-W364 HydrophobicContact CG-CD2 4.08Å; Q357-W364 HydrophobicContact CG-CE3 4.37Å; Q357-W364 HydrophobicContact CG-CH2 4.39Å; Q357-W364 HydrophobicContact CG-CZ2 4.06Å; W364-L387 HydrophobicContact CB-CB 3.66Å; W364-L387 HydrophobicContact CB-CD2 3.63Å; W364-L387 HydrophobicContact CB-CG 4.29Å; W364-L387 HydrophobicContact CG-CD2 4.11Å; W364-L387 WeakPolarHBondContact O-CB 3.17Å; W364-L387 PolarHBondContact O-N 2.82Å
365	F	98.7	Very high	98.1	Very high	13 Å²	13	53 Å²	53	6%	0.057	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	148.3	-178.2	-59.9	-89.8	0	0	0	111.1	V36 L41 L355 Y356 H358 E363 L384 C385 P386	V36-F365 HydrophobicContact CG2-CE1 4.34Å; V36-F365 HydrophobicContact CG2-CZ 4.19Å; L41-F365 HydrophobicContact CD2-CD2 3.9Å; L41-F365 HydrophobicContact CD2-CE2 4.34Å; L355-F365 WeakPolarHBondContact CA-O 3.27Å; Y356-F365 PolarHBondContact N-O 3.39Å; Y356-F365 PolarHBondContact O-N 2.88Å; H358-F365 HydrophobicContact CB-CE2 4.06Å; E363-F365 HydrophobicContact CB-CE2 3.69Å; E363-F365 HydrophobicContact CB-CZ 3.97Å; F365-L384 HydrophobicContact CB-CD1 3.62Å; F365-L384 HydrophobicContact CB-CD2 4.49Å; F365-L384 HydrophobicContact CB-CG 3.86Å; F365-L384 HydrophobicContact CD1-CD2 4.08Å; F365-L384 HydrophobicContact CD1-CG 3.83Å; F365-L384 HydrophobicContact CG-CD1 4.21Å; F365-L384 HydrophobicContact CG-CD2 4.19Å; F365-L384 HydrophobicContact CG-CG 3.97Å; F365-C385 CarbonylContact C-O 3.55Å; F365-C385 VanDerWaalsContact CA-O 3.24Å; F365-C385 WeakPolarHBondContact CA-O 3.08Å; F365-P386 HydrophobicContact CD1-CG 4.45Å; F365-P386 HydrophobicContact CE1-CG 4.25Å
366	V	98.7	Very high	98.1	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.012	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	135.5	171.7	176.9	0	0	0	0	108.8	M353 E354 L355 C385 L387 F390	M353-V366 HydrophobicContact CG-CG1 3.8Å; E354-V366 CarbonylContact O-C 3.56Å; E354-V366 VanDerWaalsContact O-CA 3.26Å; E354-V366 WeakPolarHBondContact O-CA 3.34Å; L355-V366 HydrophobicContact CD1-CG2 4.07Å; V366-C385 PolarHBondContact N-O 2.99Å; V366-C385 WeakPolarHBondContact O-CB 3.32Å; V366-C385 PolarHBondContact O-N 3.46Å; V366-L387 HydrophobicContact CG2-CD1 3.57Å; V366-F390 HydrophobicContact CB-CB 4.32Å; V366-F390 HydrophobicContact CB-CD1 4.08Å; V366-F390 HydrophobicContact CB-CD2 4.47Å; V366-F390 HydrophobicContact CB-CG 4.03Å; V366-F390 HydrophobicContact CG1-CD1 3.92Å; V366-F390 HydrophobicContact CG1-CD2 4.19Å; V366-F390 HydrophobicContact CG1-CE1 3.88Å; V366-F390 HydrophobicContact CG1-CE2 4.17Å; V366-F390 HydrophobicContact CG1-CG 4.06Å; V366-F390 HydrophobicContact CG1-CZ 4.02Å; V366-F390 HydrophobicContact CG2-CB 4.34Å; V366-F390 HydrophobicContact CG2-CD1 3.82Å; V366-F390 HydrophobicContact CG2-CE1 4.4Å; V366-F390 HydrophobicContact CG2-CG 4.16Å
367	Q	98.7	Very high	98	Very high	7 Å²	7	55 Å²	55	3%	0.033	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	136.8	169.2	-157.4	175	-10	0	0	108.3	E354 Y356 Y369 E374	E354-Q367 HydrophobicContact CB-CB 4.4Å; E354-Q367 PolarHBondContact N-O 2.92Å; E354-Q367 PolarHBondContact O-N 3.03Å; Y356-Q367 HydrophobicContact CD2-CB 4.44Å; Y356-Q367 HydrophobicContact CE2-CB 4.02Å; Q367-Y369 HydrophobicContact CB-CE2 4.19Å; Q367-Y369 HydrophobicContact CG-CE2 3.84Å; Q367-Y369 PolarHBondContact NE2-OH 3.49Å; Q367-Y369 PolarHBondContact OE1-OH 3.27Å; Q367-E374 HydrophobicContact CG-CG 4.29Å; Q367-E374 PolarHBondContact NE2-OE1 3.22Å
368	L	98.6	Very high	97.9	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	137.1	-174	-166	73.2	0	0	0	109.8	L337 I339 L351 T352 M353 Q375 P377	L337-L368 HydrophobicContact CD1-CD2 3.9Å; I339-L368 HydrophobicContact CD1-CD2 3.58Å; L351-L368 HydrophobicContact CD1-CD1 3.72Å; L351-L368 HydrophobicContact CD1-CD2 4.01Å; L351-L368 HydrophobicContact CD1-CG 3.83Å; L351-L368 HydrophobicContact CG-CD1 4.19Å; T352-L368 CarbonylContact O-C 3.6Å; T352-L368 WeakPolarHBondContact O-CA 3.31Å; M353-L368 HydrophobicContact CB-CD1 3.8Å; M353-L368 HydrophobicContact CE-CD1 3.92Å; M353-L368 HydrophobicContact CG-CD1 3.72Å; L368-Q375 HydrophobicContact CB-CB 4.36Å; L368-Q375 HydrophobicContact CD2-CB 4.42Å; L368-Q375 PolarHBondContact O-N 3.26Å; L368-P377 HydrophobicContact CB-CG 4.13Å; L368-P377 HydrophobicContact CD2-CG 3.74Å
369	Y	98.9	Very high	97.8	Very high	48 Å²	48	59.9 Å²	59.9	19%	0.188	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	138.8	176	-54.3	-103.7	0	0	0	109.3	L351 T352 E354 Q367 E373 E374	L351-Y369 CarbonylContact C-O 3.55Å; L351-Y369 WeakPolarHBondContact CA-O 3.39Å; T352-Y369 PolarHBondContact N-O 3.27Å; T352-Y369 PolarHBondContact O-N 3.38Å; E354-Y369 VanDerWaalsContact CD-CE2 3.47Å; E354-Y369 HydrophobicContact CG-CE2 4.13Å; E354-Y369 VanDerWaalsContact OE2-CE2 3.26Å; E354-Y369 WeakPolarHBondContact OE2-CE2 3.49Å; E354-Y369 PolarHBondContact OE2-OH 2.9Å; Q367-Y369 HydrophobicContact CB-CE2 4.19Å; Q367-Y369 HydrophobicContact CG-CE2 3.84Å; Q367-Y369 PolarHBondContact NE2-OH 3.49Å; Q367-Y369 PolarHBondContact OE1-OH 3.27Å; Y369-E373 CarbonylContact C-O 3.58Å; Y369-E373 WeakPolarHBondContact CA-O 3.48Å; Y369-E374 HydrophobicContact CD1-CB 3.99Å; Y369-E374 HydrophobicContact CD1-CG 4.31Å; Y369-E374 HydrophobicContact CE1-CB 3.99Å; Y369-E374 HydrophobicContact CE1-CG 3.98Å
370	Y	98.9	Very high	97.8	Very high	9 Å²	9	56.2 Å²	56.2	4%	0.035	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	123.5	170.7	176.2	-121.1	0	0	0	108.1	L334 V349 D350 G372 E373	L334-Y370 HydrophobicContact CD1-CD2 4.3Å; L334-Y370 HydrophobicContact CD1-CE1 4.06Å; L334-Y370 HydrophobicContact CD1-CE2 3.72Å; L334-Y370 HydrophobicContact CD2-CD1 4.43Å; L334-Y370 HydrophobicContact CD2-CD2 3.83Å; L334-Y370 HydrophobicContact CD2-CE2 4.1Å; L334-Y370 HydrophobicContact CD2-CG 4.01Å; L334-Y370 HydrophobicContact CG-CE2 4.49Å; V349-Y370 HydrophobicContact CB-CE2 4.47Å; V349-Y370 HydrophobicContact CG1-CE2 4.21Å; V349-Y370 HydrophobicContact CG2-CD2 4.08Å; V349-Y370 HydrophobicContact CG2-CE2 3.41Å; V349-Y370 VanDerWaalsContact CG2-CE2 3.41Å; D350-Y370 WeakPolarHBondContact O-CA 3.35Å; D350-Y370 WeakPolarHBondContact O-CD2 3.33Å; Y370-G372 PolarHBondContact O-N 2.98Å; Y370-E373 PolarHBondContact N-O 3.21Å; Y370-E373 WeakPolarHBondContact O-CB 3.28Å; Y370-E373 PolarHBondContact O-N 3.04Å
371	H	98.3	Very high	97.7	Very high	107 Å²	107	53.2 Å²	53.2	50%	0.495	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	34.6	-175.9	-160.2	-175.6	0	0	0	113.3	V349 D350 E373	V349-H371 HydrophobicContact CG2-CB 3.7Å; D350-H371 PolarHBondContact O-N 3.47Å; H371-E373 PolarHBondContact O-N 3Å
372	G	97.3	Very high	97.7	Very high	34 Å²	34	55 Å²	55	35%	0.351	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.7	-7.3	-175.9	0	0	0	0	0	115.2	Y370	Y370-G372 PolarHBondContact O-N 2.98Å
373	E	98.3	Very high	97.7	Very high	137 Å²	137	52.9 Å²	52.9	64%	0.64	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.7	130.5	179.6	-63.7	-61.1	147.1	0	0	111.1	Y369 Y370 H371 Q375	Y369-E373 CarbonylContact C-O 3.58Å; Y369-E373 WeakPolarHBondContact CA-O 3.48Å; Y370-E373 PolarHBondContact N-O 3.21Å; Y370-E373 WeakPolarHBondContact O-CB 3.28Å; Y370-E373 PolarHBondContact O-N 3.04Å; H371-E373 PolarHBondContact O-N 3Å; E373-Q375 WeakPolarHBondContact O-CG 3.32Å; E373-Q375 PolarHBondContact O-NE2 3.4Å
374	E	98.1	Very high	97.8	Very high	47 Å²	47	48.6 Å²	48.6	22%	0.22	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	135	-179.8	-159.5	-173.3	-173.9	0	0	111.4	R38 Q367 Y369 K383	R38-E374 IonicContact CZ-OE1 3.85Å; R38-E374 IonicContact NH1-OE1 2.74Å; R38-E374 IonicContact NH2-OE1 3.19Å; R38-E374 PolarHBondContact NH2-OE1 3.23Å; Q367-E374 HydrophobicContact CG-CG 4.29Å; Q367-E374 PolarHBondContact NE2-OE1 3.22Å; Y369-E374 HydrophobicContact CD1-CB 3.99Å; Y369-E374 HydrophobicContact CD1-CG 4.31Å; Y369-E374 HydrophobicContact CE1-CB 3.99Å; Y369-E374 HydrophobicContact CE1-CG 3.98Å; E374-K383 HydrophobicContact CB-CD 4.08Å; E374-K383 HydrophobicContact CG-CB 3.96Å; E374-K383 HydrophobicContact CG-CD 3.63Å; E374-K383 HydrophobicContact CG-CG 4.27Å; E374-K383 VanDerWaalsContact OE1-CB 3.25Å; E374-K383 WeakPolarHBondContact OE1-CB 3.43Å; E374-K383 WeakPolarHBondContact OE2-CD 3.41Å; E374-K383 IonicContact OE2-NZ 2.69Å; E374-K383 PolarHBondContact OE2-NZ 3.01Å
375	Q	98.6	Very high	97.7	Very high	41 Å²	41	46 Å²	46	19%	0.192	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	156	-171.6	-57.5	-59	-47	0	0	112.2	I339 L368 E373	I339-Q375 HydrophobicContact CD1-CB 4.24Å; I339-Q375 HydrophobicContact CD1-CG 3.99Å; I339-Q375 HydrophobicContact CG2-CB 4.16Å; L368-Q375 HydrophobicContact CB-CB 4.36Å; L368-Q375 HydrophobicContact CD2-CB 4.42Å; L368-Q375 PolarHBondContact O-N 3.26Å; E373-Q375 WeakPolarHBondContact O-CG 3.32Å; E373-Q375 PolarHBondContact O-NE2 3.4Å
376	V	98.4	Very high	97.7	Very high	69 Å²	69	46.8 Å²	46.8	42%	0.418	25%	0.253	S	S	.	.			trans	-113	99.2	168.5	-174.3	0	0	0	0	108.7	C380 K383	V376-C380 HydrophobicContact CG1-CB 4.39Å; V376-K383 HydrophobicContact CG2-CB 4.38Å; V376-K383 HydrophobicContact CG2-CG 3.51Å
377	P	97.3	Very high	97.7	Very high	4 Å²	4	47.2 Å²	47.2	3%	0.026	26%	0.256	C	S	.	.			trans	-62.1	150.9	177.2	-18.3	29.9	0	0	0	111.8	L337 L368 G379 C380 F390	L337-P377 WeakPolarHBondContact O-CA 3.3Å; L368-P377 HydrophobicContact CB-CG 4.13Å; L368-P377 HydrophobicContact CD2-CG 3.74Å; P377-G379 PolarHBondContact O-N 3.44Å; P377-C380 VanDerWaalsContact O-CB 3.26Å; P377-C380 WeakPolarHBondContact O-CB 3.35Å; P377-C380 PolarHBondContact O-N 3.41Å; P377-F390 HydrophobicContact CB-CD2 4.2Å; P377-F390 HydrophobicContact CB-CE2 4.07Å; P377-F390 HydrophobicContact CG-CD2 4.02Å; P377-F390 HydrophobicContact CG-CE2 3.8Å
378	R	95.9	Very high	97.7	Very high	105 Å²	105	51 Å²	51	40%	0.396	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	133.9	173.4	-177.2	-176.7	-64.1	164.8	3.7	109.9	L337 C380 T393	L337-R378 PolarHBondContact O-N 3.2Å; R378-C380 VanDerWaalsContact C-N 3.26Å; R378-C380 PolarHBondContact O-N 2.9Å; R378-T393 HydrophobicContact CB-CG2 4.37Å; R378-T393 WeakPolarHBondContact O-CB 3.5Å; R378-T393 WeakPolarHBondContact O-CG2 3.44Å; R378-T393 PolarHBondContact O-OG1 2.91Å
379	G	95.3	Very high	97.7	Very high	53 Å²	53	55.2 Å²	55.2	55%	0.546	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.3	-6.8	179.7	0	0	0	0	0	114.9	P377	P377-G379 PolarHBondContact O-N 3.44Å
380	C	97.2	Very high	97.6	Very high	16 Å²	16	52.9 Å²	52.9	11%	0.108	29%	0.285	C	S	.	.			trans	-85.4	141.7	170.5	-67.2	0	0	0	0	110.9	V376 P377 R378 C385	V376-C380 HydrophobicContact CG1-CB 4.39Å; P377-C380 VanDerWaalsContact O-CB 3.26Å; P377-C380 WeakPolarHBondContact O-CB 3.35Å; P377-C380 PolarHBondContact O-N 3.41Å; R378-C380 VanDerWaalsContact C-N 3.26Å; R378-C380 PolarHBondContact O-N 2.9Å; C380-C385 VanDerWaalsContact CA-SG 3.56Å; C380-C385 HydrophobicContact CB-CB 3.55Å; C380-C385 WeakPolarHBondContact CB-SG 3.43Å; C380-C385 WeakPolarHBondContact SG-CB 3.4Å; C380-C385 CovalentContact SG-SG 2.02Å; C380-C385 PolarHBondContact SG-SG 3.05Å
381	P	96.1	Very high	97.6	Very high	78 Å²	78	53.5 Å²	53.5	51%	0.506	29%	0.289	S	S	.	.	S	Bend	trans	-75.7	-28.2	-179.8	30.5	-34.1	0	0	0	112.9	P386 K389	P381-P386 HydrophobicContact CG-CG 4.4Å; P381-K389 HydrophobicContact CG-CD 4.36Å
382	D	96.5	Very high	97.5	Very high	95 Å²	95	53 Å²	53	51%	0.508	29%	0.29	S	S	.	.	S	Bend	trans	-158.2	-179.1	-178	-159.6	-9.1	0	0	0	108.6	L384	D382-L384 VanDerWaalsContact C-N 3.27Å; D382-L384 PolarHBondContact O-N 2.94Å
383	K	96.7	Very high	97.4	Very high	79 Å²	79	51.9 Å²	51.9	34%	0.343	28%	0.276	S	S	.	.	S	Bend	trans	-62	-30.6	-179.9	-57	-172.6	-177.5	-179.1	0	113.6	E374 V376	E374-K383 HydrophobicContact CB-CD 4.08Å; E374-K383 HydrophobicContact CG-CB 3.96Å; E374-K383 HydrophobicContact CG-CD 3.63Å; E374-K383 HydrophobicContact CG-CG 4.27Å; E374-K383 VanDerWaalsContact OE1-CB 3.25Å; E374-K383 WeakPolarHBondContact OE1-CB 3.43Å; E374-K383 WeakPolarHBondContact OE2-CD 3.41Å; E374-K383 IonicContact OE2-NZ 2.69Å; E374-K383 PolarHBondContact OE2-NZ 3.01Å; V376-K383 HydrophobicContact CG2-CB 4.38Å; V376-K383 HydrophobicContact CG2-CG 3.51Å
384	L	98	Very high	97.3	Very high	20 Å²	20	45.4 Å²	45.4	11%	0.105	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	96.7	167.9	-171.9	71.3	0	0	0	108.8	V36 L41 F365 D382	V36-L384 HydrophobicContact CB-CD2 4.07Å; V36-L384 HydrophobicContact CG1-CD2 3.97Å; V36-L384 HydrophobicContact CG2-CD2 4.46Å; L41-L384 HydrophobicContact CD1-CD1 3.92Å; L41-L384 HydrophobicContact CD1-CD2 3.71Å; L41-L384 HydrophobicContact CD1-CG 4.5Å; F365-L384 HydrophobicContact CB-CD1 3.62Å; F365-L384 HydrophobicContact CB-CD2 4.49Å; F365-L384 HydrophobicContact CB-CG 3.86Å; F365-L384 HydrophobicContact CD1-CD2 4.08Å; F365-L384 HydrophobicContact CD1-CG 3.83Å; F365-L384 HydrophobicContact CG-CD1 4.21Å; F365-L384 HydrophobicContact CG-CD2 4.19Å; F365-L384 HydrophobicContact CG-CG 3.97Å; D382-L384 VanDerWaalsContact C-N 3.27Å; D382-L384 PolarHBondContact O-N 2.94Å
385	C	98.4	Very high	97.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	127.3	-170.3	-173.4	0	0	0	0	112.1	F365 V366 C380 L387	F365-C385 CarbonylContact C-O 3.55Å; F365-C385 VanDerWaalsContact CA-O 3.24Å; F365-C385 WeakPolarHBondContact CA-O 3.08Å; V366-C385 PolarHBondContact N-O 2.99Å; V366-C385 WeakPolarHBondContact O-CB 3.32Å; V366-C385 PolarHBondContact O-N 3.46Å; C380-C385 VanDerWaalsContact CA-SG 3.56Å; C380-C385 HydrophobicContact CB-CB 3.55Å; C380-C385 WeakPolarHBondContact CB-SG 3.43Å; C380-C385 WeakPolarHBondContact SG-CB 3.4Å; C380-C385 CovalentContact SG-SG 2.02Å; C380-C385 PolarHBondContact SG-SG 3.05Å; C385-L387 PolarHBondContact O-N 3.17Å
386	P	98.4	Very high	97.1	Very high	30 Å²	30	46.8 Å²	46.8	20%	0.195	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.1	133.1	168.7	-27.1	36.1	0	0	0	111.5	F365 P381 D388 K389 F390	F365-P386 HydrophobicContact CD1-CG 4.45Å; F365-P386 HydrophobicContact CE1-CG 4.25Å; P381-P386 HydrophobicContact CG-CG 4.4Å; P386-D388 VanDerWaalsContact C-N 3.27Å; P386-D388 VanDerWaalsContact CB-OD1 3.24Å; P386-D388 WeakPolarHBondContact CB-OD1 3.45Å; P386-D388 PolarHBondContact O-N 2.86Å; P386-K389 HydrophobicContact CB-CD 4.42Å; P386-K389 HydrophobicContact CB-CG 4.33Å; P386-K389 HydrophobicContact CG-CD 4.28Å; P386-K389 PolarHBondContact O-N 3.42Å; P386-K389 VanDerWaalsContact O-N 3.12Å; P386-F390 PolarHBondContact O-N 3.16Å; P386-F390 VanDerWaalsContact O-N 3.1Å
387	L	98.5	Very high	97.1	Very high	12 Å²	12	44.2 Å²	44.2	6%	0.063	24%	0.243	C	C	.	.	H	α-helix	trans	-57.9	-38.7	-171.6	175	64.4	0	0	0	112.4	L304 V308 L355 W364 V366 C385 K389 F390 L391	L304-L387 HydrophobicContact CB-CD1 4.41Å; L304-L387 HydrophobicContact CD1-CD1 4.29Å; V308-L387 HydrophobicContact CB-CD2 4.41Å; V308-L387 HydrophobicContact CG1-CD2 3.53Å; V308-L387 HydrophobicContact CG2-CD2 4.28Å; L355-L387 HydrophobicContact CD1-CD1 4.03Å; L355-L387 HydrophobicContact CD1-CD2 4.22Å; W364-L387 HydrophobicContact CB-CB 3.66Å; W364-L387 HydrophobicContact CB-CD2 3.63Å; W364-L387 HydrophobicContact CB-CG 4.29Å; W364-L387 HydrophobicContact CG-CD2 4.11Å; W364-L387 WeakPolarHBondContact O-CB 3.17Å; W364-L387 PolarHBondContact O-N 2.82Å; V366-L387 HydrophobicContact CG2-CD1 3.57Å; C385-L387 PolarHBondContact O-N 3.17Å; L387-K389 PolarHBondContact O-N 3.35Å; L387-F390 PolarHBondContact O-N 3.13Å; L387-L391 HydrophobicContact CD1-CD1 3.98Å; L387-L391 HydrophobicContact CD1-CD2 4.3Å; L387-L391 HydrophobicContact CD1-CG 3.83Å; L387-L391 HydrophobicContact CD2-CD1 4.29Å; L387-L391 HydrophobicContact CG-CD1 3.75Å; L387-L391 HydrophobicContact CG-CG 4.07Å; L387-L391 WeakPolarHBondContact O-CB 3.5Å; L387-L391 WeakPolarHBondContact O-CG 3.28Å; L387-L391 PolarHBondContact O-N 3.45Å
388	D	97.8	Very high	97.2	Very high	86 Å²	86	44.7 Å²	44.7	46%	0.46	25%	0.247	S	C	.	.	H	α-helix	trans	-61	-43.5	178.7	68	-55	0	0	0	111.9	P386 L391 N392	P386-D388 VanDerWaalsContact C-N 3.27Å; P386-D388 VanDerWaalsContact CB-OD1 3.24Å; P386-D388 WeakPolarHBondContact CB-OD1 3.45Å; P386-D388 PolarHBondContact O-N 2.86Å; D388-L391 PolarHBondContact O-N 3.5Å; D388-N392 PolarHBondContact O-N 3.29Å; D388-N392 PolarHBondContact O-ND2 3.23Å
389	K	98.1	Very high	97.3	Very high	89 Å²	89	39.7 Å²	39.7	39%	0.387	23%	0.228	S	C	.	.	H	α-helix	trans	-64.1	-45.4	176.2	-65.2	-172	177.7	-172.7	0	111.2	P381 P386 L387 L391 N392 T393	P381-K389 HydrophobicContact CG-CD 4.36Å; P386-K389 HydrophobicContact CB-CD 4.42Å; P386-K389 HydrophobicContact CB-CG 4.33Å; P386-K389 HydrophobicContact CG-CD 4.28Å; P386-K389 PolarHBondContact O-N 3.42Å; P386-K389 VanDerWaalsContact O-N 3.12Å; L387-K389 PolarHBondContact O-N 3.35Å; K389-L391 PolarHBondContact O-N 2.96Å; K389-N392 WeakPolarHBondContact O-CB 3.35Å; K389-N392 PolarHBondContact O-N 2.86Å; K389-T393 PolarHBondContact O-N 2.65Å; K389-T393 PolarHBondContact O-OG1 3.42Å
390	F	98.3	Very high	97.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-61.4	-45.1	176.8	-172.9	-104.9	0	0	0	112.1	L304 L337 M353 V366 P377 P386 L387 N392 T393 M394	L304-F390 HydrophobicContact CD1-CD1 4Å; L304-F390 HydrophobicContact CD1-CE1 3.83Å; L337-F390 HydrophobicContact CD2-CE2 4.19Å; L337-F390 HydrophobicContact CD2-CZ 4.2Å; M353-F390 HydrophobicContact CE-CE1 4.46Å; M353-F390 HydrophobicContact CE-CZ 4.05Å; M353-F390 HydrophobicContact CG-CE1 4.38Å; M353-F390 HydrophobicContact CG-CZ 4.25Å; M353-F390 HydrophobicContact SD-CE1 3.51Å; M353-F390 VanDerWaalsContact SD-CE1 3.51Å; M353-F390 HydrophobicContact SD-CZ 3.59Å; M353-F390 VanDerWaalsContact SD-CZ 3.59Å; V366-F390 HydrophobicContact CB-CB 4.32Å; V366-F390 HydrophobicContact CB-CD1 4.08Å; V366-F390 HydrophobicContact CB-CD2 4.47Å; V366-F390 HydrophobicContact CB-CG 4.03Å; V366-F390 HydrophobicContact CG1-CD1 3.92Å; V366-F390 HydrophobicContact CG1-CD2 4.19Å; V366-F390 HydrophobicContact CG1-CE1 3.88Å; V366-F390 HydrophobicContact CG1-CE2 4.17Å; V366-F390 HydrophobicContact CG1-CG 4.06Å; V366-F390 HydrophobicContact CG1-CZ 4.02Å; V366-F390 HydrophobicContact CG2-CB 4.34Å; V366-F390 HydrophobicContact CG2-CD1 3.82Å; V366-F390 HydrophobicContact CG2-CE1 4.4Å; V366-F390 HydrophobicContact CG2-CG 4.16Å; P377-F390 HydrophobicContact CB-CD2 4.2Å; P377-F390 HydrophobicContact CB-CE2 4.07Å; P377-F390 HydrophobicContact CG-CD2 4.02Å; P377-F390 HydrophobicContact CG-CE2 3.8Å; P386-F390 PolarHBondContact O-N 3.16Å; P386-F390 VanDerWaalsContact O-N 3.1Å; L387-F390 PolarHBondContact O-N 3.13Å; F390-N392 VanDerWaalsContact C-N 3.3Å; F390-N392 PolarHBondContact O-N 3.25Å; F390-T393 PolarHBondContact O-N 2.84Å; F390-M394 HydrophobicContact CD1-CG 4.17Å; F390-M394 HydrophobicContact CD1-SD 3.84Å; F390-M394 HydrophobicContact CE1-CG 3.8Å; F390-M394 HydrophobicContact CE1-SD 3.25Å; F390-M394 WeakPolarHBondContact CE1-SD 3.33Å; F390-M394 HydrophobicContact CZ-CG 4.09Å; F390-M394 HydrophobicContact CZ-SD 3.94Å; F390-M394 PolarHBondContact O-N 2.89Å
391	L	98.2	Very high	97.4	Very high	22 Å²	22	41.4 Å²	41.4	12%	0.115	23%	0.23	C	C	.	.	H	α-helix	trans	-63	-35.5	177	-72.1	174.2	0	0	0	112.1	K301 L304 L305 L387 D388 K389 M394 S395	K301-L391 HydrophobicContact CD-CD2 4.45Å; K301-L391 HydrophobicContact CG-CD2 3.67Å; L304-L391 HydrophobicContact CB-CD2 4.45Å; L304-L391 HydrophobicContact CD1-CD2 4.26Å; L305-L391 HydrophobicContact CD2-CD1 3.77Å; L305-L391 HydrophobicContact CD2-CD2 4.38Å; L305-L391 HydrophobicContact CG-CD2 4.45Å; L387-L391 HydrophobicContact CD1-CD1 3.98Å; L387-L391 HydrophobicContact CD1-CD2 4.3Å; L387-L391 HydrophobicContact CD1-CG 3.83Å; L387-L391 HydrophobicContact CD2-CD1 4.29Å; L387-L391 HydrophobicContact CG-CD1 3.75Å; L387-L391 HydrophobicContact CG-CG 4.07Å; L387-L391 WeakPolarHBondContact O-CB 3.5Å; L387-L391 WeakPolarHBondContact O-CG 3.28Å; L387-L391 PolarHBondContact O-N 3.45Å; D388-L391 PolarHBondContact O-N 3.5Å; K389-L391 PolarHBondContact O-N 2.96Å; L391-M394 PolarHBondContact O-N 3.29Å; L391-S395 VanDerWaalsContact O-CB 3.25Å; L391-S395 WeakPolarHBondContact O-CB 3.38Å; L391-S395 PolarHBondContact O-N 3.25Å; L391-S395 PolarHBondContact O-OG 2.75Å
392	N	96.9	Very high	97.4	Very high	95 Å²	95	43.7 Å²	43.7	51%	0.508	23%	0.234	S	C	.	.	H	α-helix	trans	-62.2	-45.6	174.9	-72.9	-26.8	0	0	0	111.2	D388 K389 F390 S395 L396	D388-N392 PolarHBondContact O-N 3.29Å; D388-N392 PolarHBondContact O-ND2 3.23Å; K389-N392 WeakPolarHBondContact O-CB 3.35Å; K389-N392 PolarHBondContact O-N 2.86Å; F390-N392 VanDerWaalsContact C-N 3.3Å; F390-N392 PolarHBondContact O-N 3.25Å; N392-S395 PolarHBondContact O-N 3.14Å; N392-L396 PolarHBondContact O-N 2.9Å
393	T	94	Very high	97.4	Very high	11 Å²	11	43.9 Å²	43.9	7%	0.067	23%	0.23	C	C	.	.	H	α-helix	trans	-60.9	-50.6	174.9	-60.9	0	0	0	0	111.7	R378 K389 F390 S395 L396	R378-T393 HydrophobicContact CB-CG2 4.37Å; R378-T393 WeakPolarHBondContact O-CB 3.5Å; R378-T393 WeakPolarHBondContact O-CG2 3.44Å; R378-T393 PolarHBondContact O-OG1 2.91Å; K389-T393 PolarHBondContact O-N 2.65Å; K389-T393 PolarHBondContact O-OG1 3.42Å; F390-T393 PolarHBondContact O-N 2.84Å; T393-S395 PolarHBondContact O-N 3.44Å; T393-L396 WeakPolarHBondContact O-CB 3.41Å; T393-L396 PolarHBondContact O-N 3.44Å; T393-L396 VanDerWaalsContact O-N 3.13Å
394	M	95.9	Very high	97.5	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-59	-37.8	177.4	-70	-170.1	83.3	0	0	112.3	L297 L300 K301 L304 L337 F390 L391 L396 Y397 A398	L297-M394 HydrophobicContact CD2-CE 4.19Å; L297-M394 WeakPolarHBondContact O-CE 3.26Å; L300-M394 HydrophobicContact CB-CE 3.85Å; K301-M394 HydrophobicContact CB-CE 3.95Å; K301-M394 HydrophobicContact CB-SD 4.16Å; L304-M394 HydrophobicContact CD1-SD 4.07Å; L337-M394 HydrophobicContact CD2-CG 4.23Å; F390-M394 HydrophobicContact CD1-CG 4.17Å; F390-M394 HydrophobicContact CD1-SD 3.84Å; F390-M394 HydrophobicContact CE1-CG 3.8Å; F390-M394 HydrophobicContact CE1-SD 3.25Å; F390-M394 WeakPolarHBondContact CE1-SD 3.33Å; F390-M394 HydrophobicContact CZ-CG 4.09Å; F390-M394 HydrophobicContact CZ-SD 3.94Å; F390-M394 PolarHBondContact O-N 2.89Å; L391-M394 PolarHBondContact O-N 3.29Å; M394-L396 PolarHBondContact O-N 3.33Å; M394-Y397 PolarHBondContact O-N 3.38Å; M394-A398 WeakPolarHBondContact O-CB 3.34Å; M394-A398 PolarHBondContact O-N 3.1Å
395	S	96.9	Very high	97.3	Very high	46 Å²	46	46.5 Å²	46.5	32%	0.322	24%	0.242	S	C	.	.	H	α-helix	trans	-64.6	-18.7	-178.7	-61.8	0	0	0	0	113.4	K301 L391 N392 T393 Y397	K301-S395 WeakPolarHBondContact CE-OG 3.35Å; K301-S395 PolarHBondContact NZ-OG 3.08Å; L391-S395 VanDerWaalsContact O-CB 3.25Å; L391-S395 WeakPolarHBondContact O-CB 3.38Å; L391-S395 PolarHBondContact O-N 3.25Å; L391-S395 PolarHBondContact O-OG 2.75Å; N392-S395 PolarHBondContact O-N 3.14Å; T393-S395 PolarHBondContact O-N 3.44Å; S395-Y397 PolarHBondContact O-N 3.02Å
396	L	96.9	Very high	97.1	Very high	71 Å²	71	49.7 Å²	49.7	37%	0.372	26%	0.262	S	S	.	.	H	α-helix	trans	-65.5	-31.5	174	-63	176.4	0	0	0	111.7	R286 Q290 N392 T393 M394	R286-L396 VanDerWaalsContact CZ-O 3.22Å; R286-L396 PolarHBondContact NE-O 3.05Å; R286-L396 PolarHBondContact NH2-O 3.28Å; Q290-L396 PolarHBondContact NE2-O 3.27Å; N392-L396 PolarHBondContact O-N 2.9Å; T393-L396 WeakPolarHBondContact O-CB 3.41Å; T393-L396 PolarHBondContact O-N 3.44Å; T393-L396 VanDerWaalsContact O-N 3.13Å; M394-L396 PolarHBondContact O-N 3.33Å
397	Y	98.1	Very high	96.8	Very high	15 Å²	15	49.3 Å²	49.3	6%	0.059	26%	0.258	C	S	.	.	H	α-helix	trans	-118.2	-19.2	-173	-60.5	-83.1	0	0	0	113.8	R286 I289 G294 A336 M394 S395	R286-Y397 HydrophobicContact CB-CE1 4.3Å; R286-Y397 HydrophobicContact CG-CD1 4.07Å; R286-Y397 HydrophobicContact CG-CE1 3.81Å; I289-Y397 HydrophobicContact CB-CD1 4.02Å; I289-Y397 HydrophobicContact CB-CE1 4.22Å; I289-Y397 HydrophobicContact CD1-CE1 4.16Å; I289-Y397 HydrophobicContact CG2-CD1 3.54Å; I289-Y397 HydrophobicContact CG2-CE1 3.97Å; I289-Y397 HydrophobicContact CG2-CG 4.33Å; G294-Y397 WeakPolarHBondContact CA-O 3.35Å; A336-Y397 HydrophobicContact CB-CD1 4.16Å; A336-Y397 HydrophobicContact CB-CD2 3.66Å; A336-Y397 HydrophobicContact CB-CE2 4.12Å; A336-Y397 HydrophobicContact CB-CG 3.68Å; A336-Y397 VanDerWaalsContact O-CE2 3.24Å; A336-Y397 WeakPolarHBondContact O-CE2 3.49Å; M394-Y397 PolarHBondContact O-N 3.38Å; S395-Y397 PolarHBondContact O-N 3.02Å
398	A	98.4	Very high	96.6	Very high	14 Å²	14	49.4 Å²	49.4	12%	0.116	26%	0.259	C	S	.	.			trans	-64.6	133.8	176.1	0	0	0	0	0	111.8	G294 L297 K301 M394	G294-A398 WeakPolarHBondContact O-CA 3.46Å; L297-A398 HydrophobicContact CB-CB 4.21Å; K301-A398 HydrophobicContact CD-CB 4.28Å; M394-A398 WeakPolarHBondContact O-CB 3.34Å; M394-A398 PolarHBondContact O-N 3.1Å
399	V	98.4	Very high	95.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.255	C	S	.	.			trans	-128.7	123.5	-177.1	-179	0	0	0	0	109	Q290 G294 P295 Y298 K403 Y404 L407	Q290-V399 HydrophobicContact CB-CG2 3.59Å; Q290-V399 HydrophobicContact CG-CG2 3.81Å; Q290-V399 WeakPolarHBondContact O-CG2 3.49Å; G294-V399 PolarHBondContact O-N 3.31Å; P295-V399 WeakPolarHBondContact CA-O 3.43Å; Y298-V399 WeakPolarHBondContact CB-O 3.18Å; V399-K403 HydrophobicContact CG1-CB 3.82Å; V399-K403 HydrophobicContact CG1-CD 4.2Å; V399-K403 HydrophobicContact CG1-CG 3.9Å; V399-Y404 VanDerWaalsContact CG1-N 3.29Å; V399-L407 HydrophobicContact CG1-CD1 4.02Å; V399-L407 HydrophobicContact CG2-CD1 4.35Å
400	S	98.3	Very high	94.2	Very high	28 Å²	28	49.7 Å²	49.7	20%	0.196	27%	0.265	C	S	.	.			trans	-67	158.2	175.4	80.8	0	0	0	0	111.1	E402 K403 Y404	S400-E402 WeakPolarHBondContact CB-OE2 3.18Å; S400-E402 PolarHBondContact O-N 3.47Å; S400-E402 PolarHBondContact OG-OE2 2.93Å; S400-K403 PolarHBondContact O-N 3.44Å; S400-K403 VanDerWaalsContact O-N 3.17Å; S400-K403 PolarHBondContact OG-N 3.29Å; S400-Y404 WeakPolarHBondContact O-CB 3.16Å; S400-Y404 PolarHBondContact O-N 3.15Å
401	P	97.2	Very high	92	Very high	76 Å²	76	50.9 Å²	50.9	49%	0.494	27%	0.274	S	S	.	.	H	α-helix	trans	-52.7	-40.9	177.2	-27.6	36.3	0	0	0	113.4	Y404 H405	P401-Y404 PolarHBondContact O-N 2.62Å; P401-H405 WeakPolarHBondContact O-CB 3.43Å; P401-H405 PolarHBondContact O-N 2.66Å
402	E	96.2	Very high	89.5	Confident	127 Å²	127	60.4 Å²	60.4	59%	0.593	31%	0.309	S	S	*	.	H	α-helix	trans	-66	-47.3	180	-52.2	72.4	-154	0	0	110.7	S400 Y404 H405 T406	S400-E402 WeakPolarHBondContact CB-OE2 3.18Å; S400-E402 PolarHBondContact O-N 3.47Å; S400-E402 PolarHBondContact OG-OE2 2.93Å; E402-Y404 VanDerWaalsContact C-N 3.33Å; E402-Y404 PolarHBondContact O-N 3.38Å; E402-H405 WeakPolarHBondContact O-CB 3.39Å; E402-H405 PolarHBondContact O-N 2.82Å; E402-T406 PolarHBondContact O-N 3.43Å; E402-T406 PolarHBondContact O-OG1 3.01Å
403	K	96.4	Very high	86.9	Confident	98 Å²	98	61.9 Å²	61.9	43%	0.426	32%	0.322	S	S	.	.	H	α-helix	trans	-65.6	-37.7	178	-174.4	177.9	178.5	-177.2	0	111.5	V399 S400 T406 L407	V399-K403 HydrophobicContact CG1-CB 3.82Å; V399-K403 HydrophobicContact CG1-CD 4.2Å; V399-K403 HydrophobicContact CG1-CG 3.9Å; S400-K403 PolarHBondContact O-N 3.44Å; S400-K403 VanDerWaalsContact O-N 3.17Å; S400-K403 PolarHBondContact OG-N 3.29Å; K403-T406 PolarHBondContact O-N 3.21Å; K403-L407 HydrophobicContact CG-CD1 4.22Å; K403-L407 HydrophobicContact CG-CG 4.39Å; K403-L407 WeakPolarHBondContact O-CB 3.44Å; K403-L407 WeakPolarHBondContact O-CG 3.49Å; K403-L407 PolarHBondContact O-N 3.08Å
404	Y	97.1	Very high	84.5	Confident	22 Å²	22	68.1 Å²	68.1	9%	0.086	35%	0.353	C	S	.	.	H	α-helix	trans	-62.9	-45.3	176.1	179.3	-108.3	0	0	0	110.7	C200 M291 P295 V399 S400 P401 E402 T406 L407 C408	C200-Y404 HydrophobicContact CB-CE2 4.45Å; C200-Y404 WeakPolarHBondContact CB-OH 3.41Å; M291-Y404 VanDerWaalsContact O-CE2 3.31Å; M291-Y404 WeakPolarHBondContact O-CE2 2.99Å; P295-Y404 HydrophobicContact CG-CD1 4.1Å; P295-Y404 HydrophobicContact CG-CD2 3.34Å; P295-Y404 HydrophobicContact CG-CE1 4.43Å; P295-Y404 HydrophobicContact CG-CE2 3.74Å; P295-Y404 HydrophobicContact CG-CG 3.53Å; V399-Y404 VanDerWaalsContact CG1-N 3.29Å; S400-Y404 WeakPolarHBondContact O-CB 3.16Å; S400-Y404 PolarHBondContact O-N 3.15Å; P401-Y404 PolarHBondContact O-N 2.62Å; E402-Y404 VanDerWaalsContact C-N 3.33Å; E402-Y404 PolarHBondContact O-N 3.38Å; Y404-T406 VanDerWaalsContact C-N 3.32Å; Y404-T406 PolarHBondContact O-N 3.06Å; Y404-L407 PolarHBondContact O-N 2.92Å; Y404-C408 WeakPolarHBondContact CE2-SG 3.45Å; Y404-C408 VanDerWaalsContact O-CB 3.31Å; Y404-C408 WeakPolarHBondContact O-CB 3.25Å; Y404-C408 PolarHBondContact O-N 2.76Å; Y404-C408 PolarHBondContact O-SG 3.37Å; Y404-C408 VanDerWaalsContact O-SG 3.39Å
405	H	94.4	Very high	81.9	Confident	132 Å²	132	76 Å²	76	61%	0.611	39%	0.39	S	S	*	.	H	α-helix	trans	-57.4	-45.3	174.2	-173.3	72.5	0	0	0	111.4	P401 E402 C408 S409	P401-H405 WeakPolarHBondContact O-CB 3.43Å; P401-H405 PolarHBondContact O-N 2.66Å; E402-H405 WeakPolarHBondContact O-CB 3.39Å; E402-H405 PolarHBondContact O-N 2.82Å; H405-C408 PolarHBondContact O-N 3.3Å; H405-S409 WeakPolarHBondContact O-CB 3.49Å; H405-S409 PolarHBondContact O-N 2.74Å; H405-S409 PolarHBondContact O-OG 3.24Å
406	T	93.8	Very high	79.2	Confident	68 Å²	68	81.5 Å²	81.5	42%	0.417	42%	0.415	S	S	.	.	H	α-helix	trans	-61	-50.3	175.3	-55.4	0	0	0	0	112.4	E402 K403 Y404 C408 S409 Q410	E402-T406 PolarHBondContact O-N 3.43Å; E402-T406 PolarHBondContact O-OG1 3.01Å; K403-T406 PolarHBondContact O-N 3.21Å; Y404-T406 VanDerWaalsContact C-N 3.32Å; Y404-T406 PolarHBondContact O-N 3.06Å; T406-C408 VanDerWaalsContact C-N 3.26Å; T406-C408 PolarHBondContact O-N 3.21Å; T406-S409 PolarHBondContact O-N 3.2Å; T406-S409 PolarHBondContact O-OG 3.18Å; T406-Q410 HydrophobicContact CG2-CG 4.33Å; T406-Q410 WeakPolarHBondContact O-CG 3.37Å; T406-Q410 PolarHBondContact O-N 3.09Å; T406-Q410 VanDerWaalsContact O-N 3.15Å
407	L	93.9	Very high	76.6	Confident	22 Å²	22	80.9 Å²	80.9	12%	0.115	43%	0.425	C	S	.	.	H	α-helix	trans	-59.5	-37.8	-179.9	-74.2	173	0	0	0	112.2	V202 E287 M291 V399 K403 Y404	V202-L407 WeakPolarHBondContact CB-O 3.26Å; V202-L407 WeakPolarHBondContact CG2-O 2.73Å; E287-L407 HydrophobicContact CG-CD2 4.27Å; M291-L407 HydrophobicContact CG-CB 3.98Å; M291-L407 HydrophobicContact CG-CD1 4.24Å; M291-L407 HydrophobicContact SD-CB 4.15Å; V399-L407 HydrophobicContact CG1-CD1 4.02Å; V399-L407 HydrophobicContact CG2-CD1 4.35Å; K403-L407 HydrophobicContact CG-CD1 4.22Å; K403-L407 HydrophobicContact CG-CG 4.39Å; K403-L407 WeakPolarHBondContact O-CB 3.44Å; K403-L407 WeakPolarHBondContact O-CG 3.49Å; K403-L407 PolarHBondContact O-N 3.08Å; Y404-L407 PolarHBondContact O-N 2.92Å
408	C	92.8	Very high	73.6	Confident	14 Å²	14	92.8 Å²	92.8	10%	0.095	48%	0.482	C	S	.	.	H	α-helix	trans	-87.8	-11.1	-176.6	-67.2	0	0	0	0	114.4	C200 Y404 H405 T406	C200-C408 HydrophobicContact CB-CB 3.85Å; C200-C408 WeakPolarHBondContact CB-SG 3.45Å; C200-C408 WeakPolarHBondContact SG-CB 3.34Å; C200-C408 CovalentContact SG-SG 2.04Å; C200-C408 PolarHBondContact SG-SG 3.09Å; Y404-C408 WeakPolarHBondContact CE2-SG 3.45Å; Y404-C408 VanDerWaalsContact O-CB 3.31Å; Y404-C408 WeakPolarHBondContact O-CB 3.25Å; Y404-C408 PolarHBondContact O-N 2.76Å; Y404-C408 PolarHBondContact O-SG 3.37Å; Y404-C408 VanDerWaalsContact O-SG 3.39Å; H405-C408 PolarHBondContact O-N 3.3Å; T406-C408 VanDerWaalsContact C-N 3.26Å; T406-C408 PolarHBondContact O-N 3.21Å
409	S	83.8	Confident	72.3	Confident	51 Å²	51	96.8 Å²	96.8	36%	0.357	50%	0.5	S	S	.	.	H	α-helix	trans	-107.1	-12	-179.4	60.9	0	0	0	0	114.7	H405 T406 A411 R412	H405-S409 WeakPolarHBondContact O-CB 3.49Å; H405-S409 PolarHBondContact O-N 2.74Å; H405-S409 PolarHBondContact O-OG 3.24Å; T406-S409 PolarHBondContact O-N 3.2Å; T406-S409 PolarHBondContact O-OG 3.18Å; S409-A411 PolarHBondContact O-N 2.77Å; S409-R412 PolarHBondContact O-N 3.28Å
410	Q	62.3	Low	70.9	Confident	130 Å²	130	101.8 Å²	101.8	61%	0.607	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	78.3	176	-84.1	-178.7	-6.5	0	0	112	T406	T406-Q410 HydrophobicContact CG2-CG 4.33Å; T406-Q410 WeakPolarHBondContact O-CG 3.37Å; T406-Q410 PolarHBondContact O-N 3.09Å; T406-Q410 VanDerWaalsContact O-N 3.15Å
411	A	51.9	Low	69.4	Low	24 Å²	24	105.9 Å²	105.9	20%	0.198	55%	0.545	C	S	.	.	T	Hydrogen-bonded Turn	trans	-176.2	2	155.8	0	0	0	0	0	113.7	W201 S409 T413	W201-A411 HydrophobicContact CE3-CB 3.75Å; W201-A411 HydrophobicContact CH2-CB 3.42Å; W201-A411 VanDerWaalsContact CH2-CB 3.42Å; W201-A411 HydrophobicContact CZ2-CB 4.28Å; W201-A411 HydrophobicContact CZ3-CB 3.11Å; S409-A411 PolarHBondContact O-N 2.77Å; A411-T413 PolarHBondContact O-N 3.45Å
412	R	45.7	Very low	67.8	Low	223 Å²	223	107.7 Å²	107.7	84%	0.842	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-9.7	171.3	-87.3	-171.9	178.9	-178.4	0.5	114.2	S409	S409-R412 PolarHBondContact O-N 3.28Å
413	T	42.9	Very low	66	Low	126 Å²	126	106.5 Å²	106.5	77%	0.773	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-6.8	-175.7	-9.9	0	0	0	0	114.6	A411	A411-T413 PolarHBondContact O-N 3.45Å
414	I	42.4	Very low	64	Low	141 Å²	141	107.1 Å²	107.1	72%	0.723	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.3	-22.9	-178	-59.5	177.4	0	0	0	111.9
415	E	41.4	Very low	61.6	Low	167 Å²	167	113.1 Å²	113.1	78%	0.78	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	2	178.6	-72.6	-177.5	168.7	0	0	114.8
416	L	41.1	Very low	59.1	Low	162 Å²	162	111.7 Å²	111.7	85%	0.848	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.9	17	175.8	-76.9	169	0	0	0	112.9
417	G	42.3	Very low	56.2	Low	58 Å²	58	115.3 Å²	115.3	60%	0.598	60%	0.598	S	S	*	*			trans	-145.9	45.3	-174.7	0	0	0	0	0	113.6
418	E	33.9	Very low	52.8	Low	266 Å²	266	123.8 Å²	123.8	100%	1.243	64%	0.642	S	S	*	*			trans	-144	0	152.3	-72.5	-163.1	153.6	0	0	110.1

Retrieved 418 of 418 residues in 101.9 ms (Link to these results)

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