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Chitinase-like protein Idgf4

Cooperates with insulin-like peptides to stimulate the proliferation, polarization and motility of imaginal disk cells. May act by stabilizing the binding of insulin-like peptides to its receptor through a simultaneous interaction with both molecules to form a multiprotein signaling complex.

AlphaFold DB , UniProt , Accession Q9W303, Species DROME (Drosophila melanogaster, Fruit fly), Gene Idgf4, Length 442 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	43.1	Very low	41.8	Very low	236 Å²	236	157.6 Å²	157.6	100%	1.163	81%	0.813	S	S	*	*				0	104.6	0	-77	161.1	72.1	0	0	107.4
2	K	41.4	Very low	41.8	Very low	179 Å²	179	150.2 Å²	150.2	78%	0.778	80%	0.804	S	S	*	*				46.3	113.7	113.6	-72.1	-172.5	179.4	-178.3	0	113.7
3	L	41.4	Very low	42	Very low	178 Å²	178	146.5 Å²	146.5	93%	0.932	80%	0.797	S	S	*	*				-164.2	130.8	119.1	-106.4	136.7	0	0	0	111.5
4	Y	39.9	Very low	42.2	Very low	185 Å²	185	146.8 Å²	146.8	73%	0.725	80%	0.797	S	S	*	*			trans	-74.2	142.9	-179.8	-70.9	-103.1	0	0	0	110.3	L6	Y4-L6 HydrophobicContact CD1-CD1 3.95Å
5	A	45.3	Very low	42.3	Very low	90 Å²	90	143.4 Å²	143.4	74%	0.744	80%	0.796	S	S	*	*			trans	-133	88.1	153.1	0	0	0	0	0	107.5	F7	A5-F7 PolarHBondContact O-N 3.24Å
6	L	41.9	Very low	42.4	Very low	139 Å²	139	143.1 Å²	143.1	73%	0.728	79%	0.791	S	S	*	*			trans	-66.3	107.9	163.6	-89.3	101.4	0	0	0	107.7	Y4	Y4-L6 HydrophobicContact CD1-CD1 3.95Å
7	F	45.2	Very low	42.4	Very low	206 Å²	206	137.9 Å²	137.9	90%	0.904	78%	0.778	S	S	*	*			trans	-91.1	99.3	157.8	-101.3	-89.4	0	0	0	108	A5	A5-F7 PolarHBondContact O-N 3.24Å
8	S	39	Very low	42.4	Very low	78 Å²	78	140.1 Å²	140.1	55%	0.545	78%	0.78	S	S	.	*			trans	-88	154.1	163.3	-57	0	0	0	0	109.9
9	L	40.4	Very low	42.3	Very low	155 Å²	155	141 Å²	141	81%	0.812	78%	0.782	S	S	*	*			trans	83.7	119.6	175.2	-63.5	119.5	0	0	0	113.9
10	L	42.8	Very low	42.3	Very low	159 Å²	159	138.7 Å²	138.7	83%	0.832	78%	0.776	S	S	*	*			cis	-161.6	147.1	47.8	-116.6	122.4	0	0	0	111.8	G12	L10-G12 PolarHBondContact O-N 3.32Å
11	V	39.6	Very low	42.4	Very low	129 Å²	129	136.5 Å²	136.5	78%	0.782	78%	0.775	S	S	*	*			trans	-71.1	119.1	177.7	172	0	0	0	0	109.1
12	G	42.1	Very low	42.5	Very low	68 Å²	68	130 Å²	130	70%	0.701	76%	0.759	S	S	*	*			trans	-132.3	59.2	167.1	0	0	0	0	0	109	L10 L14	L10-G12 PolarHBondContact O-N 3.32Å; G12-L14 PolarHBondContact O-N 3.44Å
13	S	44.8	Very low	43.2	Very low	103 Å²	103	124.2 Å²	124.2	72%	0.72	75%	0.751	S	S	*	*			trans	-68.7	81.6	165.7	43.9	0	0	0	0	107.9	A15	S13-A15 PolarHBondContact O-N 2.73Å
14	L	44.1	Very low	45.1	Very low	150 Å²	150	120.7 Å²	120.7	79%	0.785	74%	0.741	S	S	*	*			trans	-56.6	98	150.5	-93.9	119.4	0	0	0	105.3	G12 I16	G12-L14 PolarHBondContact O-N 3.44Å; L14-I16 HydrophobicContact CB-CG1 4.24Å; L14-I16 PolarHBondContact O-N 3.46Å
15	A	43.5	Very low	47.7	Very low	96 Å²	96	114.1 Å²	114.1	79%	0.793	72%	0.716	S	S	*	*			trans	-60.8	84.7	152.7	0	0	0	0	0	105.3	S13 G17	S13-A15 PolarHBondContact O-N 2.73Å; A15-G17 PolarHBondContact O-N 2.87Å
16	I	43.7	Very low	50.1	Low	138 Å²	138	112.1 Å²	112.1	71%	0.708	69%	0.692	S	S	*	*			trans	-62.7	87.1	155.7	-56.2	172.9	0	0	0	102.1	L14 Q18	L14-I16 HydrophobicContact CB-CG1 4.24Å; L14-I16 PolarHBondContact O-N 3.46Å; I16-Q18 VanDerWaalsContact C-N 3.28Å; I16-Q18 PolarHBondContact O-N 3.44Å
17	G	43.6	Very low	52.8	Low	55 Å²	55	105.5 Å²	105.5	57%	0.567	66%	0.657	S	S	*	*			trans	-48.1	113.3	153.9	0	0	0	0	0	103.2	A15 I19	A15-G17 PolarHBondContact O-N 2.87Å; G17-I19 PolarHBondContact O-N 3.04Å
18	Q	41.5	Very low	55.4	Low	177 Å²	177	95.7 Å²	95.7	83%	0.827	61%	0.614	S	S	*	*			trans	-57.2	92.6	161	-74.9	-176.5	-25.7	0	0	103.3	I16 S20	I16-Q18 VanDerWaalsContact C-N 3.28Å; I16-Q18 PolarHBondContact O-N 3.44Å; Q18-S20 PolarHBondContact O-N 2.94Å
19	I	40.8	Very low	58.2	Low	158 Å²	158	92 Å²	92	81%	0.81	59%	0.588	S	S	*	*			trans	-60.1	90.2	149.4	-61.2	173.1	0	0	0	100.2	G17 A21	G17-I19 PolarHBondContact O-N 3.04Å; I19-A21 VanDerWaalsContact C-N 3.3Å; I19-A21 PolarHBondContact O-N 3.11Å
20	S	42.6	Very low	61	Low	95 Å²	95	84.6 Å²	84.6	66%	0.664	55%	0.55	S	S	*	.			trans	-41.9	110.7	161.7	-52.1	0	0	0	0	103	Q18 A22	Q18-S20 PolarHBondContact O-N 2.94Å; S20-A22 WeakPolarHBondContact O-CA 3.39Å; S20-A22 PolarHBondContact O-N 3.11Å
21	A	43.4	Very low	63.6	Low	92 Å²	92	77 Å²	77	76%	0.76	51%	0.51	S	S	*	.			trans	-45.6	114.4	172.8	0	0	0	0	0	103.8	I19 G23	I19-A21 VanDerWaalsContact C-N 3.3Å; I19-A21 PolarHBondContact O-N 3.11Å; A21-G23 PolarHBondContact O-N 3.5Å
22	A	45.4	Very low	66.4	Low	100 Å²	100	71 Å²	71	83%	0.826	47%	0.473	S	S	*	.			trans	-63.2	91	-167.7	0	0	0	0	0	106.3	S20 S24	S20-A22 WeakPolarHBondContact O-CA 3.39Å; S20-A22 PolarHBondContact O-N 3.11Å; A22-S24 PolarHBondContact O-N 2.92Å
23	G	57	Low	69	Low	58 Å²	58	67.9 Å²	67.9	60%	0.598	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-57.3	133.9	174.6	0	0	0	0	0	105.2	A21 H25	A21-G23 PolarHBondContact O-N 3.5Å; G23-H25 PolarHBondContact O-N 3.15Å; G23-H25 VanDerWaalsContact O-N 3.09Å
24	S	81.2	Confident	71.4	Confident	103 Å²	103	65.8 Å²	65.8	72%	0.72	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-54.1	121.8	173.1	53.2	0	0	0	0	108.4	A22 H26	A22-S24 PolarHBondContact O-N 2.92Å; S24-H26 PolarHBondContact O-N 2.94Å
25	H	94.3	Very high	73.8	Confident	47 Å²	47	58.7 Å²	58.7	22%	0.218	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-53.1	140.1	174.5	-67.5	101.3	0	0	0	110.3	G23 L27 L409 G410 L442	G23-H25 PolarHBondContact O-N 3.15Å; G23-H25 VanDerWaalsContact O-N 3.09Å; H25-L27 PolarHBondContact O-N 3.14Å; H25-L409 PolarHBondContact CD2-O 3.09Å; H25-G410 CarbonylContact C-O 3.44Å; H25-G410 VanDerWaalsContact CA-O 3.31Å; H25-G410 WeakPolarHBondContact CA-O 3.17Å; H25-L442 HydrophobicContact CB-CB 4.13Å; H25-L442 HydrophobicContact CB-CD1 4.21Å; H25-L442 HydrophobicContact CB-CD2 4.14Å; H25-L442 HydrophobicContact CB-CG 4.4Å; H25-L442 PolarHBondContact ND1-O 3.2Å
26	H	96.2	Very high	76.2	Confident	48 Å²	48	56.2 Å²	56.2	22%	0.222	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	133	169.4	-54.4	143.9	0	0	0	109.7	S24 L28 N294 G410 G411 I412	S24-H26 PolarHBondContact O-N 2.94Å; H26-L28 HydrophobicContact CB-CD1 3.52Å; H26-N294 PolarHBondContact ND1-OD1 2.83Å; H26-G410 PolarHBondContact N-O 2.82Å; H26-G411 CarbonylContact O-C 3.52Å; H26-G411 WeakPolarHBondContact O-CA 3.26Å; H26-I412 PolarHBondContact O-N 3.09Å
27	L	98.4	Very high	78.6	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.005	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	98.7	161.5	-173.5	49.9	0	0	0	106.9	H25 Y55 T57 H58 I412 V414 L435 V438 K439 L442	H25-L27 PolarHBondContact O-N 3.14Å; L27-Y55 WeakPolarHBondContact CD2-O 3.21Å; L27-T57 PolarHBondContact N-OG1 2.96Å; L27-T57 PolarHBondContact O-N 2.87Å; L27-T57 PolarHBondContact O-OG1 3.12Å; L27-H58 PolarHBondContact O-N 3.37Å; L27-I412 WeakPolarHBondContact CA-O 3.46Å; L27-I412 HydrophobicContact CD1-CB 4.07Å; L27-I412 HydrophobicContact CD1-CG2 4.1Å; L27-V414 HydrophobicContact CD1-CG2 3.95Å; L27-L435 HydrophobicContact CD1-CD1 4.06Å; L27-L435 HydrophobicContact CD2-CD1 3.69Å; L27-L435 HydrophobicContact CG-CD1 3.95Å; L27-V438 HydrophobicContact CD1-CG1 3.65Å; L27-V438 HydrophobicContact CD2-CG1 4.48Å; L27-K439 HydrophobicContact CD2-CB 3.87Å; L27-K439 HydrophobicContact CD2-CD 4.02Å; L27-K439 HydrophobicContact CD2-CG 4.41Å; L27-L442 HydrophobicContact CB-CD1 4.48Å; L27-L442 HydrophobicContact CD1-CD1 4.37Å
28	L	98.6	Very high	81	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	126.3	178	-62.2	95.4	0	0	0	108.4	H26 H58 V60 Y240 N294 I412 A413 V414	H26-L28 HydrophobicContact CB-CD1 3.52Å; L28-H58 WeakPolarHBondContact CA-O 3.34Å; L28-H58 HydrophobicContact CB-CB 4.43Å; L28-H58 HydrophobicContact CD2-CB 4.06Å; L28-H58 HydrophobicContact CG-CB 3.94Å; L28-V60 HydrophobicContact CB-CG2 4.46Å; L28-V60 HydrophobicContact CD2-CG2 4.21Å; L28-Y240 HydrophobicContact CD2-CD1 4.03Å; L28-Y240 HydrophobicContact CD2-CD2 3.97Å; L28-Y240 HydrophobicContact CD2-CE1 3.57Å; L28-Y240 HydrophobicContact CD2-CE2 3.57Å; L28-Y240 HydrophobicContact CD2-CG 4.22Å; L28-N294 HydrophobicContact CD1-CB 4.24Å; L28-N294 WeakPolarHBondContact CD1-ND2 3.33Å; L28-I412 PolarHBondContact N-O 3.17Å; L28-A413 HydrophobicContact CB-CB 4.23Å; L28-A413 CarbonylContact O-C 3.53Å; L28-A413 VanDerWaalsContact O-CA 3.32Å; L28-A413 WeakPolarHBondContact O-CA 3.26Å; L28-V414 PolarHBondContact O-N 3.24Å
29	C	98.8	Very high	83.4	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	113	-178.3	-63.7	0	0	0	0	108.5	C56 H58 L59 V60 L417	C29-C56 HydrophobicContact CB-CB 3.86Å; C29-C56 WeakPolarHBondContact CB-SG 3.41Å; C29-C56 WeakPolarHBondContact SG-CB 3.39Å; C29-C56 CovalentContact SG-SG 2.03Å; C29-C56 PolarHBondContact SG-SG 3.4Å; C29-H58 PolarHBondContact N-O 2.67Å; C29-L59 HydrophobicContact CB-CD1 4.37Å; C29-L59 CarbonylContact O-C 3.58Å; C29-L59 WeakPolarHBondContact O-CA 3.39Å; C29-V60 PolarHBondContact O-N 2.95Å; C29-L417 HydrophobicContact CB-CD1 3.66Å; C29-L417 HydrophobicContact CB-CD2 4.28Å; C29-L417 HydrophobicContact CB-CG 4.01Å
30	Y	98.8	Very high	85.9	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	140.6	173.5	-77.2	-105.8	0	0	0	109.9	V60 Y63 D152 S218 N242 H244 A413 V414 V415 D416 L417	Y30-V60 WeakPolarHBondContact CA-O 3.45Å; Y30-V60 HydrophobicContact CD1-CB 3.98Å; Y30-V60 HydrophobicContact CD1-CG1 3.82Å; Y30-V60 HydrophobicContact CD2-CB 4.3Å; Y30-V60 HydrophobicContact CE1-CB 3.92Å; Y30-V60 HydrophobicContact CE1-CG1 3.43Å; Y30-V60 VanDerWaalsContact CE1-CG1 3.43Å; Y30-V60 HydrophobicContact CE2-CB 4.22Å; Y30-V60 HydrophobicContact CE2-CG1 4.49Å; Y30-V60 HydrophobicContact CE2-CG2 4.16Å; Y30-V60 HydrophobicContact CG-CB 4.15Å; Y30-V60 HydrophobicContact CG-CG1 4.48Å; Y30-Y63 HydrophobicContact CD1-CE1 4.45Å; Y30-D152 VanDerWaalsContact OH-CG 3.31Å; Y30-D152 PolarHBondContact OH-OD1 3.09Å; Y30-D152 PolarHBondContact OH-OD2 3.32Å; Y30-S218 PolarHBondContact OH-OG 2.62Å; Y30-N242 PolarHBondContact OH-ND2 3.28Å; Y30-H244 AromaticContact CZ-NE2 3.96Å; Y30-A413 HydrophobicContact CE2-CB 4.04Å; Y30-V414 WeakPolarHBondContact CB-O 3.37Å; Y30-V414 PolarHBondContact N-O 2.82Å; Y30-V415 HydrophobicContact CD2-CG2 3.69Å; Y30-V415 HydrophobicContact CE2-CG2 4.18Å; Y30-V415 HydrophobicContact CG-CG1 4.33Å; Y30-V415 HydrophobicContact CG-CG2 4.05Å; Y30-D416 WeakPolarHBondContact O-CB 3.34Å; Y30-L417 WeakPolarHBondContact O-CG 3.03Å; Y30-L417 PolarHBondContact O-N 3.48Å
31	Y	98.4	Very high	88.3	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	106.8	174.4	169.1	-125.6	0	0	0	108.7	G33 S35 L44 L46 L49 V60 Y61 G62 V92	Y31-G33 PolarHBondContact O-N 3.42Å; Y31-S35 WeakPolarHBondContact CE2-OG 3.18Å; Y31-L44 HydrophobicContact CD2-CD2 3.92Å; Y31-L44 HydrophobicContact CE2-CD2 3.44Å; Y31-L44 VanDerWaalsContact CE2-CD2 3.44Å; Y31-L46 HydrophobicContact CE1-CD2 4.2Å; Y31-L49 HydrophobicContact CD1-CD2 4.17Å; Y31-L49 HydrophobicContact CD2-CD1 4.13Å; Y31-L49 HydrophobicContact CD2-CD2 4.48Å; Y31-L49 HydrophobicContact CE1-CD2 4.41Å; Y31-L49 HydrophobicContact CG-CD1 4.32Å; Y31-L49 HydrophobicContact CG-CD2 4.21Å; Y31-V60 PolarHBondContact N-O 3.41Å; Y31-Y61 AromaticContact CD1-CD2 3.79Å; Y31-Y61 HydrophobicContact CD1-CD2 3.79Å; Y31-Y61 HydrophobicContact CD1-CE2 4.09Å; Y31-Y61 HydrophobicContact CE1-CD2 4.01Å; Y31-Y61 AromaticContact CE1-CE2 3.86Å; Y31-Y61 HydrophobicContact CE1-CE2 3.86Å; Y31-G62 PolarHBondContact O-N 2.89Å; Y31-V92 HydrophobicContact CD1-CG2 4.23Å; Y31-V92 HydrophobicContact CE1-CG2 3.8Å
32	D	97.1	Very high	90.7	Very high	3 Å²	3	42 Å²	42	2%	0.016	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	111	172	-175.1	-13.4	0	0	0	109	N34 S35 Y63 K112	D32-N34 PolarHBondContact O-N 2.93Å; D32-N34 VanDerWaalsContact O-N 3.13Å; D32-N34 VanDerWaalsContact OD1-CB 3.32Å; D32-N34 WeakPolarHBondContact OD1-CB 3.44Å; D32-N34 PolarHBondContact OD1-N 2.79Å; D32-N34 PolarHBondContact OD1-ND2 3.39Å; D32-S35 VanDerWaalsContact O-CB 3.24Å; D32-S35 WeakPolarHBondContact O-CB 3.41Å; D32-S35 PolarHBondContact O-N 2.79Å; D32-S35 PolarHBondContact O-OG 2.76Å; D32-Y63 HydrophobicContact CB-CE2 4.33Å; D32-K112 IonicContact OD2-NZ 2.71Å; D32-K112 PolarHBondContact OD2-NZ 2.98Å
33	G	96.4	Very high	93.1	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.01	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-55.3	-29.6	178.9	0	0	0	0	0	113	Y31 S35 F36 Y61 G62 L80	Y31-G33 PolarHBondContact O-N 3.42Å; G33-S35 PolarHBondContact O-N 2.84Å; G33-S35 VanDerWaalsContact O-N 3.09Å; G33-F36 WeakPolarHBondContact O-CB 3.09Å; G33-F36 PolarHBondContact O-N 2.75Å; G33-Y61 WeakPolarHBondContact CA-OH 3.49Å; G33-G62 PolarHBondContact N-O 2.9Å; G33-L80 WeakPolarHBondContact O-CD2 3.49Å
34	N	95.2	Very high	95	Very high	60 Å²	60	37.8 Å²	37.8	32%	0.321	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-64.3	-16.9	176.1	-68.2	-50.2	0	0	0	113.1	D32 F36 V37 R38	D32-N34 PolarHBondContact O-N 2.93Å; D32-N34 VanDerWaalsContact O-N 3.13Å; D32-N34 VanDerWaalsContact OD1-CB 3.32Å; D32-N34 WeakPolarHBondContact OD1-CB 3.44Å; D32-N34 PolarHBondContact OD1-N 2.79Å; D32-N34 PolarHBondContact OD1-ND2 3.39Å; N34-F36 PolarHBondContact O-N 3.07Å; N34-V37 WeakPolarHBondContact O-CG2 3.39Å; N34-V37 PolarHBondContact O-N 2.63Å; N34-V37 VanDerWaalsContact O-N 3.14Å; N34-R38 PolarHBondContact O-N 3.42Å
35	S	95.6	Very high	95.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-63	-20.2	170.1	67.1	0	0	0	0	113.4	Y31 D32 G33 V37 K43 L44	Y31-S35 WeakPolarHBondContact CE2-OG 3.18Å; D32-S35 VanDerWaalsContact O-CB 3.24Å; D32-S35 WeakPolarHBondContact O-CB 3.41Å; D32-S35 PolarHBondContact O-N 2.79Å; D32-S35 PolarHBondContact O-OG 2.76Å; G33-S35 PolarHBondContact O-N 2.84Å; G33-S35 VanDerWaalsContact O-N 3.09Å; S35-V37 VanDerWaalsContact C-N 3.29Å; S35-V37 PolarHBondContact O-N 2.74Å; S35-K43 WeakPolarHBondContact O-CA 3.44Å; S35-L44 PolarHBondContact O-N 3.13Å
36	F	94	Very high	95.7	Very high	44 Å²	44	34.4 Å²	34.4	19%	0.193	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-68.4	-26.4	174.1	-168.5	-87.8	0	0	0	113	G33 N34 K43 L44 I45 L80 L88	G33-F36 WeakPolarHBondContact O-CB 3.09Å; G33-F36 PolarHBondContact O-N 2.75Å; N34-F36 PolarHBondContact O-N 3.07Å; F36-K43 WeakPolarHBondContact O-CE 3.35Å; F36-L44 WeakPolarHBondContact CA-O 3.48Å; F36-I45 HydrophobicContact CD2-CB 4.37Å; F36-I45 HydrophobicContact CD2-CG2 4.11Å; F36-I45 HydrophobicContact CE2-CB 4.2Å; F36-I45 HydrophobicContact CE2-CG2 4Å; F36-L80 HydrophobicContact CB-CD1 4.2Å; F36-L80 HydrophobicContact CD1-CD1 3.55Å; F36-L80 HydrophobicContact CE1-CD1 4.24Å; F36-L80 HydrophobicContact CG-CD1 4.1Å; F36-L88 HydrophobicContact CB-CD2 3.9Å; F36-L88 HydrophobicContact CD2-CD1 4.05Å; F36-L88 HydrophobicContact CD2-CD2 4.22Å; F36-L88 HydrophobicContact CE2-CD1 4.25Å; F36-L88 HydrophobicContact CG-CD2 4.05Å
37	V	93.2	Very high	95.7	Very high	73 Å²	73	36.4 Å²	36.4	44%	0.442	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-106.3	2.7	-178.7	-59.6	0	0	0	0	113.4	N34 S35 L80	N34-V37 WeakPolarHBondContact O-CG2 3.39Å; N34-V37 PolarHBondContact O-N 2.63Å; N34-V37 VanDerWaalsContact O-N 3.14Å; S35-V37 VanDerWaalsContact C-N 3.29Å; S35-V37 PolarHBondContact O-N 2.74Å; V37-L80 HydrophobicContact CG1-CD1 3.93Å; V37-L80 HydrophobicContact CG1-CD2 4.22Å
38	R	94	Very high	95.6	Very high	37 Å²	37	37.4 Å²	37.4	14%	0.14	21%	0.206	C	C	.	.			trans	-64.4	161	168.8	-69.2	177.3	-167.8	163.5	5.8	110.4	N34 S42 K43 S418	N34-R38 PolarHBondContact O-N 3.42Å; R38-S42 WeakPolarHBondContact CD-O 3.46Å; R38-K43 VanDerWaalsContact O-CB 3.27Å; R38-K43 WeakPolarHBondContact O-CB 3.35Å; R38-K43 VanDerWaalsContact O-CD 3.25Å; R38-K43 WeakPolarHBondContact O-CD 3.44Å; R38-K43 WeakPolarHBondContact O-CG 3.43Å; R38-S418 PolarHBondContact NH1-O 2.94Å; R38-S418 PolarHBondContact NH1-OG 2.83Å; R38-S418 PolarHBondContact NH2-OG 3.18Å
39	E	91.6	Very high	95.5	Very high	145 Å²	145	37.4 Å²	37.4	68%	0.678	21%	0.206	S	C	*	.			trans	-105.1	156.4	179.6	-67.7	-59.3	152.9	0	0	111.9	S42	E39-S42 PolarHBondContact O-OG 3.43Å
40	G	93.3	Very high	95.4	Very high	56 Å²	56	39.3 Å²	39.3	58%	0.577	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	60.3	-137.9	174.4	0	0	0	0	0	114.1	S42 K43	G40-S42 VanDerWaalsContact C-N 3.29Å; G40-S42 PolarHBondContact O-N 3.34Å; G40-K43 WeakPolarHBondContact O-CB 3.3Å; G40-K43 PolarHBondContact O-N 3.32Å
41	L	93.6	Very high	95.3	Very high	102 Å²	102	41.2 Å²	41.2	53%	0.534	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-69.9	-22.5	-171.3	-65.6	177.5	0	0	0	113.8	K43 Q330 F422 R423	L41-K43 VanDerWaalsContact C-N 3.32Å; L41-Q330 HydrophobicContact CB-CG 4.08Å; L41-F422 VanDerWaalsContact O-CZ 3.31Å; L41-F422 WeakPolarHBondContact O-CZ 3.34Å; L41-R423 PolarHBondContact O-NE 3.36Å
42	S	93.6	Very high	95.3	Very high	5 Å²	5	41.2 Å²	41.2	4%	0.035	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-84.2	-4.2	178.9	63.9	0	0	0	0	114.1	R38 E39 G40 L44 Q330	R38-S42 WeakPolarHBondContact CD-O 3.46Å; E39-S42 PolarHBondContact O-OG 3.43Å; G40-S42 VanDerWaalsContact C-N 3.29Å; G40-S42 PolarHBondContact O-N 3.34Å; S42-L44 PolarHBondContact O-N 2.97Å; S42-Q330 WeakPolarHBondContact CB-O 3.28Å; S42-Q330 PolarHBondContact OG-O 2.68Å
43	K	96.7	Very high	95.3	Very high	69 Å²	69	41.2 Å²	41.2	30%	0.3	23%	0.227	S	C	.	.			trans	-70.7	118.9	174.5	-169	174.2	-166.3	148.2	0	110.8	S35 F36 R38 G40 L41 I45 F422 R423	S35-K43 WeakPolarHBondContact O-CA 3.44Å; F36-K43 WeakPolarHBondContact O-CE 3.35Å; R38-K43 VanDerWaalsContact O-CB 3.27Å; R38-K43 WeakPolarHBondContact O-CB 3.35Å; R38-K43 VanDerWaalsContact O-CD 3.25Å; R38-K43 WeakPolarHBondContact O-CD 3.44Å; R38-K43 WeakPolarHBondContact O-CG 3.43Å; G40-K43 WeakPolarHBondContact O-CB 3.3Å; G40-K43 PolarHBondContact O-N 3.32Å; L41-K43 VanDerWaalsContact C-N 3.32Å; K43-I45 HydrophobicContact CG-CG2 4.26Å; K43-F422 VanDerWaalsContact O-CE2 3.3Å; K43-F422 WeakPolarHBondContact O-CE2 3.42Å; K43-F422 WeakPolarHBondContact O-CZ 3.26Å; K43-R423 PolarHBondContact O-NH2 3.38Å
44	L	96.5	Very high	95.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.254	C	S	.	.			trans	-113.4	107.9	175.9	-167.9	154.9	0	0	0	109.6	Y31 S35 F36 S42 D48 L49 F422 F432	Y31-L44 HydrophobicContact CD2-CD2 3.92Å; Y31-L44 HydrophobicContact CE2-CD2 3.44Å; Y31-L44 VanDerWaalsContact CE2-CD2 3.44Å; S35-L44 PolarHBondContact O-N 3.13Å; F36-L44 WeakPolarHBondContact CA-O 3.48Å; S42-L44 PolarHBondContact O-N 2.97Å; L44-D48 HydrophobicContact CG-CB 4.26Å; L44-L49 HydrophobicContact CD2-CB 3.85Å; L44-L49 HydrophobicContact CD2-CD1 3.89Å; L44-L49 HydrophobicContact CD2-CG 4.4Å; L44-F422 HydrophobicContact CB-CE1 4.19Å; L44-F422 HydrophobicContact CB-CE2 4.17Å; L44-F422 HydrophobicContact CB-CZ 3.96Å; L44-F422 HydrophobicContact CD1-CB 4.14Å; L44-F422 HydrophobicContact CD1-CD1 3.6Å; L44-F422 HydrophobicContact CD1-CD2 4.25Å; L44-F422 HydrophobicContact CD1-CE1 3.98Å; L44-F422 HydrophobicContact CD1-CG 3.75Å; L44-F422 HydrophobicContact CD1-CZ 4.44Å; L44-F422 HydrophobicContact CG-CD1 4.38Å; L44-F422 HydrophobicContact CG-CD2 4.29Å; L44-F422 HydrophobicContact CG-CE1 4.47Å; L44-F422 HydrophobicContact CG-CE2 4.36Å; L44-F422 HydrophobicContact CG-CG 4.3Å; L44-F422 HydrophobicContact CG-CZ 4.45Å; L44-F432 HydrophobicContact CD1-CE1 4.43Å
45	I	95.1	Very high	95.3	Very high	57 Å²	57	46.4 Å²	46.4	29%	0.292	25%	0.247	S	C	.	.			trans	-97.8	170.9	173.5	61.2	167.9	0	0	0	110.9	F36 K43 T47 D48 L49	F36-I45 HydrophobicContact CD2-CB 4.37Å; F36-I45 HydrophobicContact CD2-CG2 4.11Å; F36-I45 HydrophobicContact CE2-CB 4.2Å; F36-I45 HydrophobicContact CE2-CG2 4Å; K43-I45 HydrophobicContact CG-CG2 4.26Å; I45-T47 VanDerWaalsContact C-N 3.32Å; I45-T47 WeakPolarHBondContact CD1-OG1 3.2Å; I45-T47 WeakPolarHBondContact CG1-OG1 3.02Å; I45-T47 PolarHBondContact O-N 2.92Å; I45-D48 HydrophobicContact CG1-CB 4.38Å; I45-D48 WeakPolarHBondContact CG1-OD2 3.34Å; I45-D48 WeakPolarHBondContact O-CA 3.36Å; I45-D48 WeakPolarHBondContact O-CB 3.25Å; I45-D48 PolarHBondContact O-N 3.35Å; I45-L49 PolarHBondContact O-N 3.49Å; I45-L49 VanDerWaalsContact O-N 3.07Å
46	L	94.6	Very high	95.4	Very high	22 Å²	22	46.9 Å²	46.9	12%	0.115	25%	0.251	C	S	.	.	H	α-helix	trans	-61.1	-35.4	-174.3	-64.9	-167	0	0	0	114.5	Y31 D48 L49 E50 L88 Q91 V92 L95	Y31-L46 HydrophobicContact CE1-CD2 4.2Å; L46-D48 PolarHBondContact O-N 3.1Å; L46-L49 HydrophobicContact CD2-CD2 4.15Å; L46-L49 VanDerWaalsContact O-CB 3.3Å; L46-L49 WeakPolarHBondContact O-CB 3.49Å; L46-L49 PolarHBondContact O-N 3.32Å; L46-L49 VanDerWaalsContact O-N 3.13Å; L46-E50 VanDerWaalsContact O-CG 3.27Å; L46-E50 WeakPolarHBondContact O-CG 3.32Å; L46-E50 PolarHBondContact O-N 3.39Å; L46-E50 VanDerWaalsContact O-N 3.12Å; L46-L88 HydrophobicContact CD1-CD1 4.3Å; L46-L88 HydrophobicContact CD2-CD1 4.05Å; L46-L88 HydrophobicContact CG-CD1 4.21Å; L46-Q91 HydrophobicContact CD1-CB 3.39Å; L46-Q91 HydrophobicContact CD1-CG 4.47Å; L46-V92 HydrophobicContact CD2-CG2 3.74Å; L46-L95 HydrophobicContact CD2-CD1 4.47Å
47	T	95.2	Very high	95.6	Very high	89 Å²	89	46.3 Å²	46.3	55%	0.546	25%	0.251	S	S	.	.	H	α-helix	trans	-65.7	-30.3	175.3	52.8	0	0	0	0	112.5	I45	I45-T47 VanDerWaalsContact C-N 3.32Å; I45-T47 WeakPolarHBondContact CD1-OG1 3.2Å; I45-T47 WeakPolarHBondContact CG1-OG1 3.02Å; I45-T47 PolarHBondContact O-N 2.92Å
48	D	96.6	Very high	95.9	Very high	22 Å²	22	43.8 Å²	43.8	12%	0.118	23%	0.234	C	C	.	.	H	α-helix	trans	-74.8	-29.6	174.3	-66.9	-35.9	0	0	0	111.4	L44 I45 L46 P51 F422 R423 F432	L44-D48 HydrophobicContact CG-CB 4.26Å; I45-D48 HydrophobicContact CG1-CB 4.38Å; I45-D48 WeakPolarHBondContact CG1-OD2 3.34Å; I45-D48 WeakPolarHBondContact O-CA 3.36Å; I45-D48 WeakPolarHBondContact O-CB 3.25Å; I45-D48 PolarHBondContact O-N 3.35Å; L46-D48 PolarHBondContact O-N 3.1Å; D48-P51 WeakPolarHBondContact O-CD 3.29Å; D48-F422 HydrophobicContact CB-CD2 3.98Å; D48-F422 HydrophobicContact CB-CE2 4.48Å; D48-R423 IonicContact OD2-NH2 2.82Å; D48-F432 VanDerWaalsContact O-CE2 3.28Å; D48-F432 WeakPolarHBondContact O-CE2 3.5Å; D48-F432 VanDerWaalsContact O-CZ 3.23Å; D48-F432 WeakPolarHBondContact O-CZ 3.4Å
49	L	96.5	Very high	96.1	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-70.2	-36.9	176.7	-168.9	65.4	0	0	0	112.8	Y31 L44 I45 L46 P51 A52 L53 L59 L95 L417	Y31-L49 HydrophobicContact CD1-CD2 4.17Å; Y31-L49 HydrophobicContact CD2-CD1 4.13Å; Y31-L49 HydrophobicContact CD2-CD2 4.48Å; Y31-L49 HydrophobicContact CE1-CD2 4.41Å; Y31-L49 HydrophobicContact CG-CD1 4.32Å; Y31-L49 HydrophobicContact CG-CD2 4.21Å; L44-L49 HydrophobicContact CD2-CB 3.85Å; L44-L49 HydrophobicContact CD2-CD1 3.89Å; L44-L49 HydrophobicContact CD2-CG 4.4Å; I45-L49 PolarHBondContact O-N 3.49Å; I45-L49 VanDerWaalsContact O-N 3.07Å; L46-L49 HydrophobicContact CD2-CD2 4.15Å; L46-L49 VanDerWaalsContact O-CB 3.3Å; L46-L49 WeakPolarHBondContact O-CB 3.49Å; L46-L49 PolarHBondContact O-N 3.32Å; L46-L49 VanDerWaalsContact O-N 3.13Å; L49-P51 VanDerWaalsContact C-CD 3.45Å; L49-A52 VanDerWaalsContact O-CB 3.3Å; L49-A52 WeakPolarHBondContact O-CB 3.12Å; L49-A52 PolarHBondContact O-N 2.81Å; L49-L53 HydrophobicContact CD2-CD2 4.32Å; L49-L53 HydrophobicContact CG-CD2 4.11Å; L49-L53 HydrophobicContact CG-CG 4.42Å; L49-L59 HydrophobicContact CD1-CD1 4.49Å; L49-L59 HydrophobicContact CD2-CD1 4.25Å; L49-L59 HydrophobicContact CD2-CD2 3.98Å; L49-L95 HydrophobicContact CD2-CD1 4.16Å; L49-L417 HydrophobicContact CD1-CB 4.23Å; L49-L417 HydrophobicContact CD1-CD1 3.48Å; L49-L417 VanDerWaalsContact CD1-CD1 3.48Å
50	E	96.6	Very high	96.4	Very high	41 Å²	41	35.1 Å²	35.1	19%	0.192	20%	0.195	C	C	.	.	H	α-helix	trans	-49.7	-44.6	-170.7	-71.8	-144.4	-119.3	0	0	115.8	L46 A52 L53 K98 Y99	L46-E50 VanDerWaalsContact O-CG 3.27Å; L46-E50 WeakPolarHBondContact O-CG 3.32Å; L46-E50 PolarHBondContact O-N 3.39Å; L46-E50 VanDerWaalsContact O-N 3.12Å; E50-A52 PolarHBondContact O-N 3.41Å; E50-A52 VanDerWaalsContact O-N 3.11Å; E50-L53 WeakPolarHBondContact O-CB 3.43Å; E50-L53 PolarHBondContact O-N 2.93Å; E50-K98 IonicContact OE1-NZ 2.73Å; E50-K98 PolarHBondContact OE1-NZ 3.13Å; E50-K98 WeakPolarHBondContact OE2-CD 3.43Å; E50-K98 WeakPolarHBondContact OE2-CE 3.49Å; E50-K98 IonicContact OE2-NZ 3.44Å; E50-K98 PolarHBondContact OE2-NZ 3.43Å; E50-Y99 PolarHBondContact O-OH 3.08Å; E50-Y99 WeakPolarHBondContact OE2-CE2 3.44Å; E50-Y99 PolarHBondContact OE2-OH 3.19Å
51	P	96.7	Very high	96.7	Very high	39 Å²	39	32.5 Å²	32.5	25%	0.253	17%	0.168	S	C	.	.	H	α-helix	trans	-58.9	-24.3	178.4	-24.4	35.4	0	0	0	114.4	D48 L49 Q54 Y55 K431 F432	D48-P51 WeakPolarHBondContact O-CD 3.29Å; L49-P51 VanDerWaalsContact C-CD 3.45Å; P51-Q54 PolarHBondContact O-NE2 3.46Å; P51-Y55 VanDerWaalsContact O-CE2 3.29Å; P51-Y55 WeakPolarHBondContact O-CE2 3.39Å; P51-K431 HydrophobicContact CB-CD 4.31Å; P51-K431 HydrophobicContact CG-CD 3.95Å; P51-F432 HydrophobicContact CB-CD2 4.24Å; P51-F432 HydrophobicContact CB-CE2 4.07Å; P51-F432 HydrophobicContact CG-CE2 4.49Å
52	A	98.1	Very high	96.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-75	-32.6	175.1	0	0	0	0	0	112.7	L49 E50 Q54 Y55 C56 L417 F432 L435	L49-A52 VanDerWaalsContact O-CB 3.3Å; L49-A52 WeakPolarHBondContact O-CB 3.12Å; L49-A52 PolarHBondContact O-N 2.81Å; E50-A52 PolarHBondContact O-N 3.41Å; E50-A52 VanDerWaalsContact O-N 3.11Å; A52-Q54 VanDerWaalsContact C-N 3.26Å; A52-Q54 PolarHBondContact O-N 2.7Å; A52-Y55 WeakPolarHBondContact O-CB 3.47Å; A52-Y55 WeakPolarHBondContact O-CD2 3.23Å; A52-Y55 PolarHBondContact O-N 3.36Å; A52-C56 PolarHBondContact O-N 3.47Å; A52-C56 PolarHBondContact O-SG 3.47Å; A52-L417 HydrophobicContact CB-CD1 3.76Å; A52-L417 HydrophobicContact CB-CD2 4.23Å; A52-F432 HydrophobicContact CB-CD1 4.06Å; A52-F432 HydrophobicContact CB-CD2 3.82Å; A52-F432 HydrophobicContact CB-CE1 3.95Å; A52-F432 HydrophobicContact CB-CE2 3.72Å; A52-F432 HydrophobicContact CB-CG 3.98Å; A52-F432 HydrophobicContact CB-CZ 3.78Å; A52-L435 HydrophobicContact CB-CD2 3.49Å; A52-L435 VanDerWaalsContact CB-CD2 3.49Å
53	L	97.8	Very high	97.1	Very high	3 Å²	3	28 Å²	28	2%	0.016	14%	0.143	C	C	.	.	H	α-helix	trans	-67.3	-24.3	-166.5	-58.7	178	0	0	0	113.8	L49 E50 Y55 C56 L59 L95 Y99 L102	L49-L53 HydrophobicContact CD2-CD2 4.32Å; L49-L53 HydrophobicContact CG-CD2 4.11Å; L49-L53 HydrophobicContact CG-CG 4.42Å; E50-L53 WeakPolarHBondContact O-CB 3.43Å; E50-L53 PolarHBondContact O-N 2.93Å; L53-Y55 PolarHBondContact O-N 2.97Å; L53-C56 PolarHBondContact O-N 3.41Å; L53-L59 HydrophobicContact CD2-CD1 4.05Å; L53-L59 HydrophobicContact CD2-CD2 3.98Å; L53-L59 HydrophobicContact CD2-CG 4.44Å; L53-L95 HydrophobicContact CD1-CB 4.29Å; L53-L95 HydrophobicContact CD1-CD1 3.8Å; L53-L95 HydrophobicContact CD1-CD2 4.23Å; L53-L95 HydrophobicContact CD1-CG 4.33Å; L53-Y99 HydrophobicContact CB-CD1 3.98Å; L53-Y99 HydrophobicContact CB-CD2 4.01Å; L53-Y99 HydrophobicContact CB-CE1 3.9Å; L53-Y99 HydrophobicContact CB-CE2 3.95Å; L53-Y99 HydrophobicContact CB-CG 4.04Å; L53-Y99 HydrophobicContact CD1-CD2 3.76Å; L53-Y99 HydrophobicContact CD1-CE2 3.56Å; L53-Y99 HydrophobicContact CG-CE2 4.39Å; L53-L102 HydrophobicContact CD2-CD2 4.09Å
54	Q	95.1	Very high	97.2	Very high	126 Å²	126	24.7 Å²	24.7	59%	0.589	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-20.2	172.8	71.4	-173.1	-49.9	0	0	113.3	P51 A52	P51-Q54 PolarHBondContact O-NE2 3.46Å; A52-Q54 VanDerWaalsContact C-N 3.26Å; A52-Q54 PolarHBondContact O-N 2.7Å
55	Y	96.6	Very high	97.3	Very high	44 Å²	44	24.7 Å²	24.7	17%	0.173	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-31.3	179.1	-50.7	-60.7	0	0	0	112	L27 P51 A52 L53 L435 R436 K439	L27-Y55 WeakPolarHBondContact CD2-O 3.21Å; P51-Y55 VanDerWaalsContact O-CE2 3.29Å; P51-Y55 WeakPolarHBondContact O-CE2 3.39Å; A52-Y55 WeakPolarHBondContact O-CB 3.47Å; A52-Y55 WeakPolarHBondContact O-CD2 3.23Å; A52-Y55 PolarHBondContact O-N 3.36Å; L53-Y55 PolarHBondContact O-N 2.97Å; Y55-L435 HydrophobicContact CD2-CD2 3.86Å; Y55-L435 HydrophobicContact CD2-CG 4.28Å; Y55-L435 HydrophobicContact CG-CD2 4.48Å; Y55-R436 HydrophobicContact CD2-CG 4.26Å; Y55-R436 HydrophobicContact CE1-CG 4.46Å; Y55-R436 HydrophobicContact CE2-CG 3.6Å; Y55-K439 HydrophobicContact CD1-CB 4.35Å; Y55-K439 HydrophobicContact CD1-CG 3.87Å; Y55-K439 HydrophobicContact CG-CG 4.4Å
56	C	98.2	Very high	97.5	Very high	11 Å²	11	22.1 Å²	22.1	7%	0.074	12%	0.116	C	C	.	.			trans	-74.9	133.5	-174.9	-53.4	0	0	0	0	112.1	C29 A52 L53 L102	C29-C56 HydrophobicContact CB-CB 3.86Å; C29-C56 WeakPolarHBondContact CB-SG 3.41Å; C29-C56 WeakPolarHBondContact SG-CB 3.39Å; C29-C56 CovalentContact SG-SG 2.03Å; C29-C56 PolarHBondContact SG-SG 3.4Å; A52-C56 PolarHBondContact O-N 3.47Å; A52-C56 PolarHBondContact O-SG 3.47Å; L53-C56 PolarHBondContact O-N 3.41Å; C56-L102 HydrophobicContact CB-CD1 3.99Å; C56-L102 WeakPolarHBondContact O-CD1 3.49Å
57	T	98.1	Very high	97.6	Very high	32 Å²	32	23.9 Å²	23.9	20%	0.196	13%	0.125	C	C	.	.	S	Bend	trans	-83.9	-35.6	166.4	58.1	0	0	0	0	111.3	L27 K103	L27-T57 PolarHBondContact N-OG1 2.96Å; L27-T57 PolarHBondContact O-N 2.87Å; L27-T57 PolarHBondContact O-OG1 3.12Å; T57-K103 PolarHBondContact O-N 3.26Å; T57-K103 VanDerWaalsContact O-N 3.09Å
58	H	98.8	Very high	97.6	Very high	19 Å²	19	23.3 Å²	23.3	9%	0.088	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	136.2	178.9	-56.2	74.9	0	0	0	108.7	L27 L28 C29 K103 L105	L27-H58 PolarHBondContact O-N 3.37Å; L28-H58 WeakPolarHBondContact CA-O 3.34Å; L28-H58 HydrophobicContact CB-CB 4.43Å; L28-H58 HydrophobicContact CD2-CB 4.06Å; L28-H58 HydrophobicContact CG-CB 3.94Å; C29-H58 PolarHBondContact N-O 2.67Å; H58-K103 CarbonylContact C-O 3.52Å; H58-K103 WeakPolarHBondContact CA-O 3.26Å; H58-K103 VanDerWaalsContact CD2-CB 3.47Å; H58-K103 WeakPolarHBondContact CD2-CB 3.33Å; H58-L105 HydrophobicContact CB-CD1 4.07Å
59	L	98.8	Very high	97.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	118.4	166.6	-179.3	69.1	0	0	0	107.7	C29 L49 L53 V92 L95 L102 K103 V104 L105 L417	C29-L59 HydrophobicContact CB-CD1 4.37Å; C29-L59 CarbonylContact O-C 3.58Å; C29-L59 WeakPolarHBondContact O-CA 3.39Å; L49-L59 HydrophobicContact CD1-CD1 4.49Å; L49-L59 HydrophobicContact CD2-CD1 4.25Å; L49-L59 HydrophobicContact CD2-CD2 3.98Å; L53-L59 HydrophobicContact CD2-CD1 4.05Å; L53-L59 HydrophobicContact CD2-CD2 3.98Å; L53-L59 HydrophobicContact CD2-CG 4.44Å; L59-V92 HydrophobicContact CD2-CG1 3.6Å; L59-L95 HydrophobicContact CD2-CD1 4.15Å; L59-L102 HydrophobicContact CB-CD1 4.13Å; L59-L102 HydrophobicContact CB-CD2 4.15Å; L59-L102 HydrophobicContact CB-CG 4.37Å; L59-K103 PolarHBondContact N-O 3.24Å; L59-V104 HydrophobicContact CB-CG2 4.4Å; L59-V104 CarbonylContact O-C 3.46Å; L59-V104 VanDerWaalsContact O-CA 3.28Å; L59-V104 WeakPolarHBondContact O-CA 3.44Å; L59-L105 PolarHBondContact O-N 3.07Å; L59-L417 HydrophobicContact CD1-CD1 4.37Å
60	V	98.9	Very high	97.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	104.8	-179.4	-175.7	0	0	0	0	108.3	L28 C29 Y30 Y31 G62 D152	L28-V60 HydrophobicContact CB-CG2 4.46Å; L28-V60 HydrophobicContact CD2-CG2 4.21Å; C29-V60 PolarHBondContact O-N 2.95Å; Y30-V60 WeakPolarHBondContact CA-O 3.45Å; Y30-V60 HydrophobicContact CD1-CB 3.98Å; Y30-V60 HydrophobicContact CD1-CG1 3.82Å; Y30-V60 HydrophobicContact CD2-CB 4.3Å; Y30-V60 HydrophobicContact CE1-CB 3.92Å; Y30-V60 HydrophobicContact CE1-CG1 3.43Å; Y30-V60 VanDerWaalsContact CE1-CG1 3.43Å; Y30-V60 HydrophobicContact CE2-CB 4.22Å; Y30-V60 HydrophobicContact CE2-CG1 4.49Å; Y30-V60 HydrophobicContact CE2-CG2 4.16Å; Y30-V60 HydrophobicContact CG-CB 4.15Å; Y30-V60 HydrophobicContact CG-CG1 4.48Å; Y31-V60 PolarHBondContact N-O 3.41Å; V60-G62 PolarHBondContact O-N 2.84Å; V60-D152 HydrophobicContact CG1-CB 3.92Å
61	Y	98.8	Very high	97.6	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.008	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	122.7	175.6	-173.8	-81.9	0	0	0	110.1	Y31 G33 D81 L88 F89 V92 L105 L106 S107	Y31-Y61 AromaticContact CD1-CD2 3.79Å; Y31-Y61 HydrophobicContact CD1-CD2 3.79Å; Y31-Y61 HydrophobicContact CD1-CE2 4.09Å; Y31-Y61 HydrophobicContact CE1-CD2 4.01Å; Y31-Y61 AromaticContact CE1-CE2 3.86Å; Y31-Y61 HydrophobicContact CE1-CE2 3.86Å; G33-Y61 WeakPolarHBondContact CA-OH 3.49Å; Y61-D81 PolarHBondContact OH-OD1 3.35Å; Y61-L88 HydrophobicContact CE2-CD2 3.96Å; Y61-L88 HydrophobicContact CE2-CG 3.93Å; Y61-L88 WeakPolarHBondContact OH-CD2 3.44Å; Y61-F89 HydrophobicContact CD1-CD1 4.09Å; Y61-F89 AromaticContact CD1-CE1 3.72Å; Y61-F89 HydrophobicContact CD1-CE1 3.72Å; Y61-F89 AromaticContact CE1-CD1 3.77Å; Y61-F89 HydrophobicContact CE1-CD1 3.77Å; Y61-F89 AromaticContact CE1-CE1 3.33Å; Y61-F89 HydrophobicContact CE1-CE1 3.33Å; Y61-F89 AromaticContact CZ-CD1 3.96Å; Y61-F89 AromaticContact CZ-CE1 3.94Å; Y61-V92 HydrophobicContact CD2-CB 4.24Å; Y61-V92 HydrophobicContact CD2-CG1 4.1Å; Y61-V92 HydrophobicContact CD2-CG2 3.87Å; Y61-V92 HydrophobicContact CE2-CG2 4.01Å; Y61-L105 WeakPolarHBondContact CB-O 3.28Å; Y61-L105 PolarHBondContact N-O 3.03Å; Y61-L106 HydrophobicContact CD1-CD1 3.9Å; Y61-S107 PolarHBondContact O-N 3Å
62	G	98.1	Very high	97.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	139.9	173.9	0	0	0	0	0	111.5	Y31 G33 V60	Y31-G62 PolarHBondContact O-N 2.89Å; G33-G62 PolarHBondContact N-O 2.9Å; V60-G62 PolarHBondContact O-N 2.84Å
63	Y	98.2	Very high	97.8	Very high	12 Å²	12	32.9 Å²	32.9	5%	0.047	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-142.7	143.6	-7.3	-62.4	-93.6	0	0	0	110.3	Y30 D32 N76 S107 G109 K112	Y30-Y63 HydrophobicContact CD1-CE1 4.45Å; D32-Y63 HydrophobicContact CB-CE2 4.33Å; Y63-N76 WeakPolarHBondContact O-CB 3.46Å; Y63-N76 PolarHBondContact O-ND2 3.45Å; Y63-S107 CarbonylContact C-O 3.49Å; Y63-S107 WeakPolarHBondContact CA-O 3.38Å; Y63-G109 VanDerWaalsContact CD1-O 3.22Å; Y63-G109 WeakPolarHBondContact CD1-O 3.49Å; Y63-K112 HydrophobicContact CD2-CB 3.43Å; Y63-K112 VanDerWaalsContact CD2-CB 3.43Å; Y63-K112 HydrophobicContact CD2-CG 3.32Å; Y63-K112 HydrophobicContact CE2-CB 4.07Å; Y63-K112 HydrophobicContact CE2-CG 3.41Å; Y63-K112 VanDerWaalsContact CE2-CG 3.41Å; Y63-K112 HydrophobicContact CG-CB 3.7Å; Y63-K112 HydrophobicContact CG-CG 3.99Å
64	A	98.6	Very high	97.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	165.7	160.7	0	0	0	0	0	110.3	L73 V74 N76 L106 S107 V108 G109	A64-L73 HydrophobicContact CB-CD2 3.55Å; A64-L73 HydrophobicContact CB-CG 4.12Å; A64-V74 CarbonylContact C-O 3.42Å; A64-V74 VanDerWaalsContact CA-O 3.3Å; A64-V74 WeakPolarHBondContact CA-O 3.48Å; A64-V74 VanDerWaalsContact CB-O 3.26Å; A64-V74 WeakPolarHBondContact CB-O 3.46Å; A64-N76 PolarHBondContact O-ND2 3.38Å; A64-L106 HydrophobicContact CB-CD1 4.03Å; A64-L106 HydrophobicContact CB-CD2 4.06Å; A64-L106 HydrophobicContact CB-CG 4.05Å; A64-S107 PolarHBondContact N-O 3.34Å; A64-V108 HydrophobicContact CB-CB 4.34Å; A64-V108 WeakPolarHBondContact O-CA 3.19Å; A64-G109 PolarHBondContact O-N 3.47Å
65	G	98.4	Very high	97.9	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	-175.2	175.9	0	0	0	0	0	112.3	L73 V74 N76 D113	G65-L73 WeakPolarHBondContact O-CA 3.29Å; G65-V74 PolarHBondContact N-O 3.09Å; G65-V74 PolarHBondContact O-N 3.34Å; G65-N76 WeakPolarHBondContact CA-OD1 3.06Å; G65-N76 PolarHBondContact N-OD1 3.43Å; G65-D113 VanDerWaalsContact CA-CG 3.41Å; G65-D113 WeakPolarHBondContact CA-OD2 3.47Å
66	I	98.5	Very high	97.9	Very high	3 Å²	3	29.6 Å²	29.6	2%	0.015	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	127.3	175.8	-61.3	169.2	0	0	0	108.5	P68 V108 D113 K121 Y122 L125 F135 W155	I66-P68 WeakPolarHBondContact O-CD 3.21Å; I66-V108 HydrophobicContact CG1-CG2 4.38Å; I66-D113 PolarHBondContact N-OD2 2.84Å; I66-K121 HydrophobicContact CB-CD 4.2Å; I66-K121 HydrophobicContact CB-CG 4.42Å; I66-K121 WeakPolarHBondContact O-CD 3.05Å; I66-K121 WeakPolarHBondContact O-CE 3.39Å; I66-K121 PolarHBondContact O-NZ 2.9Å; I66-Y122 HydrophobicContact CD1-CD1 3.49Å; I66-Y122 VanDerWaalsContact CD1-CD1 3.49Å; I66-Y122 HydrophobicContact CD1-CD2 4.36Å; I66-Y122 HydrophobicContact CD1-CE1 3.46Å; I66-Y122 VanDerWaalsContact CD1-CE1 3.46Å; I66-Y122 HydrophobicContact CD1-CE2 4.33Å; I66-Y122 HydrophobicContact CD1-CG 3.96Å; I66-Y122 HydrophobicContact CG1-CE1 4.2Å; I66-L125 HydrophobicContact CD1-CD1 3.95Å; I66-L125 HydrophobicContact CG1-CD1 4.43Å; I66-L125 HydrophobicContact CG2-CD1 3.78Å; I66-F135 HydrophobicContact CD1-CD2 4.42Å; I66-F135 HydrophobicContact CD1-CE2 4.1Å; I66-F135 HydrophobicContact CG1-CD2 4.14Å; I66-F135 HydrophobicContact CG1-CE2 3.83Å; I66-W155 HydrophobicContact CD1-CH2 3.97Å; I66-W155 HydrophobicContact CD1-CZ2 4.4Å; I66-W155 HydrophobicContact CD1-CZ3 4.43Å
67	N	97.4	Very high	97.8	Very high	58 Å²	58	31.5 Å²	31.5	31%	0.31	18%	0.181	S	C	.	.			trans	-76.2	114.2	167.7	178.6	-73.1	0	0	0	108.9	S69 S70 N71 K72 V74	N67-S69 PolarHBondContact O-N 2.76Å; N67-S69 PolarHBondContact OD1-N 2.9Å; N67-S69 VanDerWaalsContact OD1-N 3.14Å; N67-S70 WeakPolarHBondContact CB-OG 3.4Å; N67-S70 VanDerWaalsContact CG-OG 3.23Å; N67-S70 PolarHBondContact O-N 2.77Å; N67-S70 PolarHBondContact OD1-N 2.67Å; N67-S70 PolarHBondContact OD1-OG 2.78Å; N67-N71 WeakPolarHBondContact O-CA 3.45Å; N67-N71 PolarHBondContact O-N 2.83Å; N67-K72 PolarHBondContact N-O 2.61Å; N67-V74 HydrophobicContact CB-CG1 4.02Å; N67-V74 HydrophobicContact CB-CG2 4.05Å
68	P	94.7	Very high	97.7	Very high	77 Å²	77	35.7 Å²	35.7	50%	0.5	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-20.8	-170.8	27.6	-35.7	0	0	0	113.8	I66 K121	I66-P68 WeakPolarHBondContact O-CD 3.21Å; P68-K121 HydrophobicContact CB-CB 4.18Å; P68-K121 HydrophobicContact CB-CD 4.3Å
69	S	95.3	Very high	97.7	Very high	117 Å²	117	43 Å²	43	82%	0.818	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-31	-180	-51.5	0	0	0	0	113.1	N67	N67-S69 PolarHBondContact O-N 2.76Å; N67-S69 PolarHBondContact OD1-N 2.9Å; N67-S69 VanDerWaalsContact OD1-N 3.14Å
70	S	97.5	Very high	97.6	Very high	43 Å²	43	43.1 Å²	43.1	30%	0.301	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-8.4	-175.4	62.9	0	0	0	0	114.2	N67 K72 P134	N67-S70 WeakPolarHBondContact CB-OG 3.4Å; N67-S70 VanDerWaalsContact CG-OG 3.23Å; N67-S70 PolarHBondContact O-N 2.77Å; N67-S70 PolarHBondContact OD1-N 2.67Å; N67-S70 PolarHBondContact OD1-OG 2.78Å; S70-K72 PolarHBondContact O-N 2.81Å; S70-K72 VanDerWaalsContact O-N 3.11Å; S70-P134 WeakPolarHBondContact O-CB 3.14Å
71	N	97.9	Very high	97.5	Very high	34 Å²	34	43.3 Å²	43.3	18%	0.182	23%	0.232	C	C	.	.			trans	56.3	18.4	-173.2	-59.9	-47	0	0	0	114	N67 L125 A131 P134 F135	N67-N71 WeakPolarHBondContact O-CA 3.45Å; N67-N71 PolarHBondContact O-N 2.83Å; N71-L125 HydrophobicContact CB-CD1 4.06Å; N71-A131 HydrophobicContact CB-CB 4.34Å; N71-A131 WeakPolarHBondContact CB-O 3.28Å; N71-A131 VanDerWaalsContact ND2-CB 3.33Å; N71-A131 WeakPolarHBondContact ND2-CB 3.48Å; N71-P134 HydrophobicContact CB-CG 3.8Å; N71-F135 WeakPolarHBondContact O-CA 3.45Å; N71-F135 VanDerWaalsContact O-CB 3.22Å; N71-F135 WeakPolarHBondContact O-CB 3.37Å; N71-F135 PolarHBondContact O-N 3.25Å; N71-F135 VanDerWaalsContact O-N 3.12Å
72	K	98.6	Very high	97.5	Very high	107 Å²	107	44.8 Å²	44.8	47%	0.465	24%	0.24	S	C	.	.			trans	-83.9	143.3	177.8	-67.3	-179.4	-179.6	178.7	0	110.7	N67 S70 V74 P134 S138	N67-K72 PolarHBondContact N-O 2.61Å; S70-K72 PolarHBondContact O-N 2.81Å; S70-K72 VanDerWaalsContact O-N 3.11Å; K72-V74 HydrophobicContact CB-CG1 4.28Å; K72-P134 HydrophobicContact CG-CB 4.09Å; K72-S138 VanDerWaalsContact CA-OG 3.3Å; K72-S138 WeakPolarHBondContact CA-OG 3.26Å
73	L	98.7	Very high	97.4	Very high	3 Å²	3	48 Å²	48	2%	0.016	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	127.5	161.7	-166.8	152.3	0	0	0	108.3	A64 G65 L106 V108 F135 S138 A139 L142 L151	A64-L73 HydrophobicContact CB-CD2 3.55Å; A64-L73 HydrophobicContact CB-CG 4.12Å; G65-L73 WeakPolarHBondContact O-CA 3.29Å; L73-L106 HydrophobicContact CD2-CD2 3.9Å; L73-V108 HydrophobicContact CD1-CB 3.88Å; L73-V108 HydrophobicContact CD1-CG1 4.17Å; L73-V108 HydrophobicContact CD1-CG2 4Å; L73-V108 HydrophobicContact CG-CB 4.49Å; L73-V108 HydrophobicContact CG-CG2 4.24Å; L73-F135 HydrophobicContact CB-CD2 4.15Å; L73-F135 HydrophobicContact CB-CE2 3.95Å; L73-F135 HydrophobicContact CD1-CE2 3.92Å; L73-F135 HydrophobicContact CD1-CZ 3.92Å; L73-F135 HydrophobicContact CG-CE2 4.28Å; L73-S138 PolarHBondContact N-OG 2.75Å; L73-A139 HydrophobicContact CB-CB 4.37Å; L73-A139 HydrophobicContact CD1-CB 3.84Å; L73-L142 HydrophobicContact CD2-CD1 3.27Å; L73-L142 HydrophobicContact CD2-CG 4.48Å; L73-L142 HydrophobicContact CG-CD1 4.47Å; L73-L142 VanDerWaalsContact O-CD1 3.23Å; L73-L142 WeakPolarHBondContact O-CD1 3.49Å; L73-L151 HydrophobicContact CD1-CD1 3.64Å; L73-L151 HydrophobicContact CD1-CD2 4.25Å
74	V	98.5	Very high	97.1	Very high	37 Å²	37	56.3 Å²	56.3	22%	0.224	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	159.8	-176.5	-65.2	0	0	0	0	110.2	A64 G65 N67 K72	A64-V74 CarbonylContact C-O 3.42Å; A64-V74 VanDerWaalsContact CA-O 3.3Å; A64-V74 WeakPolarHBondContact CA-O 3.48Å; A64-V74 VanDerWaalsContact CB-O 3.26Å; A64-V74 WeakPolarHBondContact CB-O 3.46Å; G65-V74 PolarHBondContact N-O 3.09Å; G65-V74 PolarHBondContact O-N 3.34Å; N67-V74 HydrophobicContact CB-CG1 4.02Å; N67-V74 HydrophobicContact CB-CG2 4.05Å; K72-V74 HydrophobicContact CB-CG1 4.28Å
75	S	98	Very high	96.9	Very high	9 Å²	9	57.8 Å²	57.8	6%	0.063	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	141.8	171.7	107	0	0	0	0	109.8	N77 E78 D81	S75-N77 VanDerWaalsContact C-N 3.25Å; S75-N77 PolarHBondContact O-N 3.46Å; S75-N77 PolarHBondContact OG-N 2.71Å; S75-E78 VanDerWaalsContact OG-CA 3.23Å; S75-E78 WeakPolarHBondContact OG-CA 3.28Å; S75-E78 PolarHBondContact OG-N 2.59Å; S75-E78 VanDerWaalsContact OG-N 3.09Å; S75-D81 WeakPolarHBondContact CB-OD2 3.27Å; S75-D81 PolarHBondContact OG-OD2 3.4Å
76	N	96.3	Very high	96.8	Very high	58 Å²	58	60.2 Å²	60.2	31%	0.31	33%	0.333	S	S	.	.	S	Bend	trans	-74	-19.1	174.9	-73.1	-17.7	0	0	0	112.5	Y63 A64 G65 K112	Y63-N76 WeakPolarHBondContact O-CB 3.46Å; Y63-N76 PolarHBondContact O-ND2 3.45Å; A64-N76 PolarHBondContact O-ND2 3.38Å; G65-N76 WeakPolarHBondContact CA-OD1 3.06Å; G65-N76 PolarHBondContact N-OD1 3.43Å; N76-K112 PolarHBondContact ND2-O 2.76Å
77	N	96.2	Very high	96.7	Very high	50 Å²	50	61.6 Å²	61.6	27%	0.267	34%	0.344	S	S	.	.			trans	-140.9	83.3	179.9	-172.1	-15	0	0	0	111.1	S75 K79 L80 D81	S75-N77 VanDerWaalsContact C-N 3.25Å; S75-N77 PolarHBondContact O-N 3.46Å; S75-N77 PolarHBondContact OG-N 2.71Å; N77-K79 PolarHBondContact O-N 3.1Å; N77-K79 VanDerWaalsContact O-N 3.16Å; N77-L80 HydrophobicContact CB-CB 4.03Å; N77-L80 VanDerWaalsContact CG-CB 3.48Å; N77-L80 WeakPolarHBondContact O-CB 3.45Å; N77-L80 PolarHBondContact O-N 2.93Å; N77-L80 PolarHBondContact OD1-N 3.17Å; N77-D81 PolarHBondContact N-OD2 3.41Å; N77-D81 WeakPolarHBondContact O-CB 3.35Å; N77-D81 VanDerWaalsContact O-CG 3.3Å; N77-D81 PolarHBondContact O-N 2.91Å
78	E	96.6	Very high	96.7	Very high	120 Å²	120	58.9 Å²	58.9	56%	0.561	33%	0.329	S	S	*	.	H	α-helix	trans	-60.3	-33.5	-172.3	-64.1	-172.9	167.6	0	0	113.5	S75 L80 L82	S75-E78 VanDerWaalsContact OG-CA 3.23Å; S75-E78 WeakPolarHBondContact OG-CA 3.28Å; S75-E78 PolarHBondContact OG-N 2.59Å; S75-E78 VanDerWaalsContact OG-N 3.09Å; E78-L80 VanDerWaalsContact C-N 3.26Å; E78-L80 PolarHBondContact O-N 3.47Å; E78-L82 HydrophobicContact CB-CD1 3.81Å; E78-L82 HydrophobicContact CB-CG 4.18Å; E78-L82 HydrophobicContact CG-CD1 3.76Å; E78-L82 HydrophobicContact CG-CG 4.42Å; E78-L82 WeakPolarHBondContact O-CB 3.43Å; E78-L82 PolarHBondContact O-N 3.42Å
79	K	96.8	Very high	96.9	Very high	172 Å²	172	55.2 Å²	55.2	75%	0.748	31%	0.305	S	S	*	.	H	α-helix	trans	-68.4	-25.4	177.1	-174.4	179.7	177.3	-175.8	0	112.4	N77 G85 S86	N77-K79 PolarHBondContact O-N 3.1Å; N77-K79 VanDerWaalsContact O-N 3.16Å; K79-G85 CarbonylContact O-C 3.5Å; K79-G85 WeakPolarHBondContact O-CA 3.45Å; K79-S86 PolarHBondContact O-N 2.88Å; K79-S86 PolarHBondContact O-OG 3.09Å
80	L	97.2	Very high	97.1	Very high	4 Å²	4	54.6 Å²	54.6	2%	0.021	29%	0.285	C	S	.	.	H	α-helix	trans	-88.9	-48.5	174.8	-179.1	62.3	0	0	0	110.8	G33 F36 V37 N77 E78 S86 S87 L88	G33-L80 WeakPolarHBondContact O-CD2 3.49Å; F36-L80 HydrophobicContact CB-CD1 4.2Å; F36-L80 HydrophobicContact CD1-CD1 3.55Å; F36-L80 HydrophobicContact CE1-CD1 4.24Å; F36-L80 HydrophobicContact CG-CD1 4.1Å; V37-L80 HydrophobicContact CG1-CD1 3.93Å; V37-L80 HydrophobicContact CG1-CD2 4.22Å; N77-L80 HydrophobicContact CB-CB 4.03Å; N77-L80 VanDerWaalsContact CG-CB 3.48Å; N77-L80 WeakPolarHBondContact O-CB 3.45Å; N77-L80 PolarHBondContact O-N 2.93Å; N77-L80 PolarHBondContact OD1-N 3.17Å; E78-L80 VanDerWaalsContact C-N 3.26Å; E78-L80 PolarHBondContact O-N 3.47Å; L80-S86 CarbonylContact O-C 3.55Å; L80-S86 WeakPolarHBondContact O-CB 3.45Å; L80-S87 PolarHBondContact O-N 2.83Å; L80-L88 HydrophobicContact CD1-CB 4.36Å; L80-L88 HydrophobicContact CD1-CD2 3.85Å; L80-L88 HydrophobicContact CD2-CD2 4.1Å; L80-L88 HydrophobicContact CG-CB 4.3Å; L80-L88 HydrophobicContact CG-CD2 3.84Å; L80-L88 VanDerWaalsContact O-CB 3.27Å; L80-L88 WeakPolarHBondContact O-CB 3.27Å; L80-L88 PolarHBondContact O-N 3.01Å
81	D	98.3	Very high	97.1	Very high	4 Å²	4	56.5 Å²	56.5	2%	0.021	29%	0.289	C	S	.	.	H	α-helix	trans	-81.2	-43.3	-163.4	-67.3	-21.3	0	0	0	113	Y61 S75 N77 S87 L88 F89	Y61-D81 PolarHBondContact OH-OD1 3.35Å; S75-D81 WeakPolarHBondContact CB-OD2 3.27Å; S75-D81 PolarHBondContact OG-OD2 3.4Å; N77-D81 PolarHBondContact N-OD2 3.41Å; N77-D81 WeakPolarHBondContact O-CB 3.35Å; N77-D81 VanDerWaalsContact O-CG 3.3Å; N77-D81 PolarHBondContact O-N 2.91Å; D81-S87 CarbonylContact O-C 3.58Å; D81-L88 PolarHBondContact O-N 3.13Å; D81-F89 HydrophobicContact CB-CD1 3.73Å; D81-F89 HydrophobicContact CB-CD2 4.27Å; D81-F89 HydrophobicContact CB-CE1 3.48Å; D81-F89 VanDerWaalsContact CB-CE1 3.48Å; D81-F89 HydrophobicContact CB-CE2 4.07Å; D81-F89 HydrophobicContact CB-CG 4.14Å; D81-F89 HydrophobicContact CB-CZ 3.69Å; D81-F89 VanDerWaalsContact CG-CE1 3.43Å; D81-F89 WeakPolarHBondContact O-CB 3.29Å; D81-F89 WeakPolarHBondContact O-CG 3.46Å; D81-F89 PolarHBondContact O-N 3.01Å; D81-F89 VanDerWaalsContact O-N 3.08Å
82	L	97.9	Very high	97.1	Very high	32 Å²	32	54.9 Å²	54.9	17%	0.168	28%	0.28	C	S	.	.	S	Bend	trans	-94	167.1	-167	-49.6	-175.5	0	0	0	113.3	E78 L84 G85 S87 F89 Y146	E78-L82 HydrophobicContact CB-CD1 3.81Å; E78-L82 HydrophobicContact CB-CG 4.18Å; E78-L82 HydrophobicContact CG-CD1 3.76Å; E78-L82 HydrophobicContact CG-CG 4.42Å; E78-L82 WeakPolarHBondContact O-CB 3.43Å; E78-L82 PolarHBondContact O-N 3.42Å; L82-L84 VanDerWaalsContact C-N 3.27Å; L82-L84 PolarHBondContact O-N 2.95Å; L82-G85 CarbonylContact O-C 3.36Å; L82-G85 PolarHBondContact O-N 3.3Å; L82-S87 VanDerWaalsContact O-CA 3.32Å; L82-S87 WeakPolarHBondContact O-CA 3.42Å; L82-S87 PolarHBondContact O-N 2.96Å; L82-F89 HydrophobicContact CD2-CD2 3.99Å; L82-F89 HydrophobicContact CD2-CE2 3.87Å; L82-Y146 HydrophobicContact CD2-CE1 4.43Å; L82-Y146 HydrophobicContact CD2-CE2 3.98Å; L82-Y146 WeakPolarHBondContact CD2-OH 3.21Å
83	D	96	Very high	97.1	Very high	68 Å²	68	50.4 Å²	50.4	36%	0.364	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-26.2	-173.3	-68.1	-15.7	0	0	0	114.2	G85 S87 R90	D83-G85 PolarHBondContact O-N 3.26Å; D83-S87 WeakPolarHBondContact CA-OG 3.44Å; D83-S87 PolarHBondContact O-OG 3.46Å; D83-R90 WeakPolarHBondContact OD1-CD 3.38Å; D83-R90 WeakPolarHBondContact OD1-CG 3.49Å; D83-R90 IonicContact OD1-CZ 3.89Å; D83-R90 IonicContact OD1-NE 2.79Å; D83-R90 PolarHBondContact OD1-NE 3.28Å; D83-R90 IonicContact OD2-CZ 2.87Å; D83-R90 VanDerWaalsContact OD2-CZ 3.32Å; D83-R90 IonicContact OD2-NE 2.84Å; D83-R90 PolarHBondContact OD2-NE 2.79Å; D83-R90 IonicContact OD2-NH2 3.07Å; D83-R90 PolarHBondContact OD2-NH2 3.13Å
84	L	92.6	Very high	97.1	Very high	187 Å²	187	51.6 Å²	51.6	98%	0.979	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-11.9	175.3	-66.4	177.5	0	0	0	113.2	L82	L82-L84 VanDerWaalsContact C-N 3.27Å; L82-L84 PolarHBondContact O-N 2.95Å
85	G	94	Very high	97	Very high	30 Å²	30	50.6 Å²	50.6	31%	0.309	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	-128.5	-178.8	0	0	0	0	0	111.8	K79 L82 D83 S87	K79-G85 CarbonylContact O-C 3.5Å; K79-G85 WeakPolarHBondContact O-CA 3.45Å; L82-G85 CarbonylContact O-C 3.36Å; L82-G85 PolarHBondContact O-N 3.3Å; D83-G85 PolarHBondContact O-N 3.26Å; G85-S87 VanDerWaalsContact C-N 3.28Å; G85-S87 PolarHBondContact O-N 2.86Å
86	S	95.1	Very high	97	Very high	51 Å²	51	52.5 Å²	52.5	36%	0.357	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-5.9	-179.8	-50.1	0	0	0	0	113	K79 L80 L88 Q91	K79-S86 PolarHBondContact O-N 2.88Å; K79-S86 PolarHBondContact O-OG 3.09Å; L80-S86 CarbonylContact O-C 3.55Å; L80-S86 WeakPolarHBondContact O-CB 3.45Å; S86-L88 PolarHBondContact O-N 3.36Å; S86-Q91 PolarHBondContact O-NE2 3.12Å
87	S	97.2	Very high	97.1	Very high	33 Å²	33	60.9 Å²	60.9	23%	0.231	30%	0.302	C	S	.	.			trans	56.6	29.3	179.1	-47	0	0	0	0	114	L80 D81 L82 D83 G85 F89 R90 Q91	L80-S87 PolarHBondContact O-N 2.83Å; D81-S87 CarbonylContact O-C 3.58Å; L82-S87 VanDerWaalsContact O-CA 3.32Å; L82-S87 WeakPolarHBondContact O-CA 3.42Å; L82-S87 PolarHBondContact O-N 2.96Å; D83-S87 WeakPolarHBondContact CA-OG 3.44Å; D83-S87 PolarHBondContact O-OG 3.46Å; G85-S87 VanDerWaalsContact C-N 3.28Å; G85-S87 PolarHBondContact O-N 2.86Å; S87-F89 PolarHBondContact O-N 3.33Å; S87-R90 PolarHBondContact O-N 2.95Å; S87-Q91 PolarHBondContact O-N 2.98Å; S87-Q91 VanDerWaalsContact O-N 3.12Å
88	L	97.9	Very high	97.2	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-61.3	-32	-170	-172.4	57.5	0	0	0	112.3	F36 L46 Y61 L80 D81 S86 R90 Q91 V92	F36-L88 HydrophobicContact CB-CD2 3.9Å; F36-L88 HydrophobicContact CD2-CD1 4.05Å; F36-L88 HydrophobicContact CD2-CD2 4.22Å; F36-L88 HydrophobicContact CE2-CD1 4.25Å; F36-L88 HydrophobicContact CG-CD2 4.05Å; L46-L88 HydrophobicContact CD1-CD1 4.3Å; L46-L88 HydrophobicContact CD2-CD1 4.05Å; L46-L88 HydrophobicContact CG-CD1 4.21Å; Y61-L88 HydrophobicContact CE2-CD2 3.96Å; Y61-L88 HydrophobicContact CE2-CG 3.93Å; Y61-L88 WeakPolarHBondContact OH-CD2 3.44Å; L80-L88 HydrophobicContact CD1-CB 4.36Å; L80-L88 HydrophobicContact CD1-CD2 3.85Å; L80-L88 HydrophobicContact CD2-CD2 4.1Å; L80-L88 HydrophobicContact CG-CB 4.3Å; L80-L88 HydrophobicContact CG-CD2 3.84Å; L80-L88 VanDerWaalsContact O-CB 3.27Å; L80-L88 WeakPolarHBondContact O-CB 3.27Å; L80-L88 PolarHBondContact O-N 3.01Å; D81-L88 PolarHBondContact O-N 3.13Å; S86-L88 PolarHBondContact O-N 3.36Å; L88-R90 PolarHBondContact O-N 3.19Å; L88-Q91 HydrophobicContact CD1-CB 4.45Å; L88-Q91 PolarHBondContact O-N 3.43Å; L88-V92 HydrophobicContact CD1-CG2 3.96Å; L88-V92 HydrophobicContact CG-CG2 4.13Å; L88-V92 WeakPolarHBondContact O-CB 3.23Å; L88-V92 VanDerWaalsContact O-CG2 3.29Å; L88-V92 WeakPolarHBondContact O-CG2 3.46Å; L88-V92 PolarHBondContact O-N 2.96Å
89	F	98.5	Very high	97.2	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-54.3	-50.5	172.1	-77.1	-0.7	0	0	0	112	Y61 D81 L82 S87 V92 T93 L106 Y146 F148	Y61-F89 HydrophobicContact CD1-CD1 4.09Å; Y61-F89 AromaticContact CD1-CE1 3.72Å; Y61-F89 HydrophobicContact CD1-CE1 3.72Å; Y61-F89 AromaticContact CE1-CD1 3.77Å; Y61-F89 HydrophobicContact CE1-CD1 3.77Å; Y61-F89 AromaticContact CE1-CE1 3.33Å; Y61-F89 HydrophobicContact CE1-CE1 3.33Å; Y61-F89 AromaticContact CZ-CD1 3.96Å; Y61-F89 AromaticContact CZ-CE1 3.94Å; D81-F89 HydrophobicContact CB-CD1 3.73Å; D81-F89 HydrophobicContact CB-CD2 4.27Å; D81-F89 HydrophobicContact CB-CE1 3.48Å; D81-F89 VanDerWaalsContact CB-CE1 3.48Å; D81-F89 HydrophobicContact CB-CE2 4.07Å; D81-F89 HydrophobicContact CB-CG 4.14Å; D81-F89 HydrophobicContact CB-CZ 3.69Å; D81-F89 VanDerWaalsContact CG-CE1 3.43Å; D81-F89 WeakPolarHBondContact O-CB 3.29Å; D81-F89 WeakPolarHBondContact O-CG 3.46Å; D81-F89 PolarHBondContact O-N 3.01Å; D81-F89 VanDerWaalsContact O-N 3.08Å; L82-F89 HydrophobicContact CD2-CD2 3.99Å; L82-F89 HydrophobicContact CD2-CE2 3.87Å; S87-F89 PolarHBondContact O-N 3.33Å; F89-V92 PolarHBondContact O-N 3Å; F89-T93 WeakPolarHBondContact O-CG2 3.32Å; F89-T93 PolarHBondContact O-N 3.41Å; F89-T93 PolarHBondContact O-OG1 2.86Å; F89-T93 VanDerWaalsContact O-OG1 3.07Å; F89-L106 HydrophobicContact CE1-CD1 4.01Å; F89-L106 HydrophobicContact CZ-CD1 3.9Å; F89-L106 HydrophobicContact CZ-CD2 4.45Å; F89-Y146 HydrophobicContact CB-CD1 3.68Å; F89-Y146 HydrophobicContact CB-CE1 4.39Å; F89-Y146 HydrophobicContact CB-CG 3.93Å; F89-Y146 AromaticContact CD2-CD1 4Å; F89-Y146 HydrophobicContact CD2-CD1 4Å; F89-Y146 AromaticContact CD2-CD2 3.8Å; F89-Y146 HydrophobicContact CD2-CD2 3.8Å; F89-Y146 HydrophobicContact CD2-CE1 4.33Å; F89-Y146 HydrophobicContact CD2-CE2 4.14Å; F89-Y146 AromaticContact CD2-CG 3.73Å; F89-Y146 HydrophobicContact CD2-CG 3.73Å; F89-Y146 HydrophobicContact CE2-CD2 4.44Å; F89-Y146 HydrophobicContact CG-CD1 4.38Å; F89-Y146 HydrophobicContact CG-CG 4.34Å; F89-F148 HydrophobicContact CB-CE2 4.12Å; F89-F148 HydrophobicContact CB-CZ 4.11Å; F89-F148 HydrophobicContact CD1-CE2 4.37Å; F89-F148 AromaticContact CD1-CZ 3.91Å; F89-F148 HydrophobicContact CD1-CZ 3.91Å; F89-F148 HydrophobicContact CD2-CE2 4.02Å; F89-F148 HydrophobicContact CD2-CZ 4.38Å; F89-F148 HydrophobicContact CE1-CZ 4.39Å; F89-F148 HydrophobicContact CE2-CE2 4.49Å; F89-F148 AromaticContact CG-CE2 3.93Å; F89-F148 HydrophobicContact CG-CE2 3.93Å; F89-F148 AromaticContact CG-CZ 3.89Å; F89-F148 HydrophobicContact CG-CZ 3.89Å
90	R	98.3	Very high	97.2	Very high	104 Å²	104	58.4 Å²	58.4	39%	0.392	30%	0.298	S	S	.	.	H	α-helix	trans	-68.4	-36.1	179.6	-68.4	-162.1	-175.9	-71.8	-5.6	112.8	D83 S87 L88 V92 T93 G94 T145 Y146	D83-R90 WeakPolarHBondContact OD1-CD 3.38Å; D83-R90 WeakPolarHBondContact OD1-CG 3.49Å; D83-R90 IonicContact OD1-CZ 3.89Å; D83-R90 IonicContact OD1-NE 2.79Å; D83-R90 PolarHBondContact OD1-NE 3.28Å; D83-R90 IonicContact OD2-CZ 2.87Å; D83-R90 VanDerWaalsContact OD2-CZ 3.32Å; D83-R90 IonicContact OD2-NE 2.84Å; D83-R90 PolarHBondContact OD2-NE 2.79Å; D83-R90 IonicContact OD2-NH2 3.07Å; D83-R90 PolarHBondContact OD2-NH2 3.13Å; S87-R90 PolarHBondContact O-N 2.95Å; L88-R90 PolarHBondContact O-N 3.19Å; R90-V92 VanDerWaalsContact C-N 3.34Å; R90-T93 PolarHBondContact O-OG1 2.99Å; R90-G94 WeakPolarHBondContact O-CA 3.4Å; R90-G94 PolarHBondContact O-N 2.84Å; R90-T145 PolarHBondContact NH1-O 2.9Å; R90-T145 PolarHBondContact NH2-O 3.07Å; R90-Y146 HydrophobicContact CG-CD1 3.87Å; R90-Y146 HydrophobicContact CG-CE1 4.42Å
91	Q	97.8	Very high	97.1	Very high	84 Å²	84	62.5 Å²	62.5	39%	0.393	33%	0.332	S	S	.	.	H	α-helix	trans	-64.9	-43.5	178.2	-61.2	-173.7	54	0	0	110.6	L46 S86 S87 L88 G94 L95	L46-Q91 HydrophobicContact CD1-CB 3.39Å; L46-Q91 HydrophobicContact CD1-CG 4.47Å; S86-Q91 PolarHBondContact O-NE2 3.12Å; S87-Q91 PolarHBondContact O-N 2.98Å; S87-Q91 VanDerWaalsContact O-N 3.12Å; L88-Q91 HydrophobicContact CD1-CB 4.45Å; L88-Q91 PolarHBondContact O-N 3.43Å; Q91-G94 PolarHBondContact O-N 3.11Å; Q91-L95 PolarHBondContact O-N 2.98Å
92	V	98.4	Very high	97.1	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-68.3	-48.2	178.9	174.5	0	0	0	0	111.6	Y31 L46 L59 Y61 L88 F89 R90 G94 L95 V104	Y31-V92 HydrophobicContact CD1-CG2 4.23Å; Y31-V92 HydrophobicContact CE1-CG2 3.8Å; L46-V92 HydrophobicContact CD2-CG2 3.74Å; L59-V92 HydrophobicContact CD2-CG1 3.6Å; Y61-V92 HydrophobicContact CD2-CB 4.24Å; Y61-V92 HydrophobicContact CD2-CG1 4.1Å; Y61-V92 HydrophobicContact CD2-CG2 3.87Å; Y61-V92 HydrophobicContact CE2-CG2 4.01Å; L88-V92 HydrophobicContact CD1-CG2 3.96Å; L88-V92 HydrophobicContact CG-CG2 4.13Å; L88-V92 WeakPolarHBondContact O-CB 3.23Å; L88-V92 VanDerWaalsContact O-CG2 3.29Å; L88-V92 WeakPolarHBondContact O-CG2 3.46Å; L88-V92 PolarHBondContact O-N 2.96Å; F89-V92 PolarHBondContact O-N 3Å; R90-V92 VanDerWaalsContact C-N 3.34Å; V92-G94 PolarHBondContact O-N 3.12Å; V92-L95 HydrophobicContact CG1-CD1 4.47Å; V92-L95 VanDerWaalsContact O-CB 3.25Å; V92-L95 WeakPolarHBondContact O-CB 3.41Å; V92-L95 WeakPolarHBondContact O-CD1 3.2Å; V92-L95 WeakPolarHBondContact O-CG 3.12Å; V92-L95 PolarHBondContact O-N 3.4Å; V92-L95 VanDerWaalsContact O-N 3.13Å; V92-V104 HydrophobicContact CG1-CG1 3.81Å
93	T	98.6	Very high	97.2	Very high	13 Å²	13	65 Å²	65	8%	0.08	34%	0.342	C	S	.	.	H	α-helix	trans	-66.6	-27.1	176.8	59.9	0	0	0	0	112.2	F89 R90 L95 K96 V104 Y146 F148	F89-T93 WeakPolarHBondContact O-CG2 3.32Å; F89-T93 PolarHBondContact O-N 3.41Å; F89-T93 PolarHBondContact O-OG1 2.86Å; F89-T93 VanDerWaalsContact O-OG1 3.07Å; R90-T93 PolarHBondContact O-OG1 2.99Å; T93-L95 PolarHBondContact O-N 2.99Å; T93-K96 WeakPolarHBondContact O-CB 3.31Å; T93-K96 WeakPolarHBondContact O-CE 3.17Å; T93-K96 WeakPolarHBondContact O-CG 3.1Å; T93-K96 PolarHBondContact O-N 3.45Å; T93-V104 HydrophobicContact CG2-CB 4.44Å; T93-V104 HydrophobicContact CG2-CG1 3.95Å; T93-Y146 WeakPolarHBondContact CB-O 3.27Å; T93-Y146 WeakPolarHBondContact CG2-O 3.36Å; T93-Y146 PolarHBondContact OG1-O 2.53Å; T93-F148 HydrophobicContact CG2-CB 4.45Å; T93-F148 HydrophobicContact CG2-CD1 3.56Å; T93-F148 HydrophobicContact CG2-CD2 4.07Å; T93-F148 HydrophobicContact CG2-CE1 3.69Å; T93-F148 HydrophobicContact CG2-CE2 4.19Å; T93-F148 HydrophobicContact CG2-CG 3.76Å; T93-F148 HydrophobicContact CG2-CZ 4Å
94	G	98.2	Very high	97.3	Very high	27 Å²	27	61.8 Å²	61.8	28%	0.278	33%	0.325	S	S	.	.	H	α-helix	trans	-62.9	-23.5	172.9	0	0	0	0	0	114.2	R90 Q91 V92 K96 R97	R90-G94 WeakPolarHBondContact O-CA 3.4Å; R90-G94 PolarHBondContact O-N 2.84Å; Q91-G94 PolarHBondContact O-N 3.11Å; V92-G94 PolarHBondContact O-N 3.12Å; G94-K96 PolarHBondContact O-N 3.31Å; G94-K96 VanDerWaalsContact O-N 3.11Å; G94-R97 WeakPolarHBondContact O-CB 3.31Å; G94-R97 PolarHBondContact O-N 3.39Å
95	L	98.1	Very high	97.6	Very high	17 Å²	17	52.9 Å²	52.9	9%	0.089	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-59.5	-24.1	177.4	-64.3	166.8	0	0	0	112.4	L46 L49 L53 L59 Q91 V92 T93 R97 K98 Y99	L46-L95 HydrophobicContact CD2-CD1 4.47Å; L49-L95 HydrophobicContact CD2-CD1 4.16Å; L53-L95 HydrophobicContact CD1-CB 4.29Å; L53-L95 HydrophobicContact CD1-CD1 3.8Å; L53-L95 HydrophobicContact CD1-CD2 4.23Å; L53-L95 HydrophobicContact CD1-CG 4.33Å; L59-L95 HydrophobicContact CD2-CD1 4.15Å; Q91-L95 PolarHBondContact O-N 2.98Å; V92-L95 HydrophobicContact CG1-CD1 4.47Å; V92-L95 VanDerWaalsContact O-CB 3.25Å; V92-L95 WeakPolarHBondContact O-CB 3.41Å; V92-L95 WeakPolarHBondContact O-CD1 3.2Å; V92-L95 WeakPolarHBondContact O-CG 3.12Å; V92-L95 PolarHBondContact O-N 3.4Å; V92-L95 VanDerWaalsContact O-N 3.13Å; T93-L95 PolarHBondContact O-N 2.99Å; L95-R97 PolarHBondContact O-N 2.97Å; L95-R97 VanDerWaalsContact O-N 3.11Å; L95-K98 PolarHBondContact O-N 3.25Å; L95-Y99 WeakPolarHBondContact O-CD2 3.43Å; L95-Y99 PolarHBondContact O-N 2.92Å
96	K	98	Very high	97.8	Very high	48 Å²	48	51.5 Å²	51.5	21%	0.209	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-57.2	-25.1	174.2	-63.8	-169.3	-65.5	-171.9	0	113.7	T93 G94 K98 Y99 P100 V104 G147 D149	T93-K96 WeakPolarHBondContact O-CB 3.31Å; T93-K96 WeakPolarHBondContact O-CE 3.17Å; T93-K96 WeakPolarHBondContact O-CG 3.1Å; T93-K96 PolarHBondContact O-N 3.45Å; G94-K96 PolarHBondContact O-N 3.31Å; G94-K96 VanDerWaalsContact O-N 3.11Å; K96-K98 VanDerWaalsContact C-N 3.28Å; K96-K98 PolarHBondContact O-N 3.3Å; K96-Y99 CarbonylContact O-C 3.26Å; K96-Y99 VanDerWaalsContact O-C 3.26Å; K96-P100 VanDerWaalsContact O-CA 3.26Å; K96-P100 WeakPolarHBondContact O-CA 3.5Å; K96-V104 HydrophobicContact CD-CB 4.3Å; K96-V104 HydrophobicContact CD-CG2 3.86Å; K96-V104 HydrophobicContact CG-CG2 3.61Å; K96-G147 WeakPolarHBondContact CE-O 3.17Å; K96-G147 PolarHBondContact NZ-O 3.33Å; K96-D149 WeakPolarHBondContact CD-OD2 3.39Å; K96-D149 IonicContact NZ-OD1 2.72Å; K96-D149 PolarHBondContact NZ-OD1 2.87Å; K96-D149 IonicContact NZ-OD2 2.75Å; K96-D149 PolarHBondContact NZ-OD2 3.44Å
97	R	97.6	Very high	98	Very high	234 Å²	234	49.1 Å²	49.1	88%	0.883	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-66.5	-32.6	174.8	-62.3	-177.4	-169.3	179.3	4.1	112.2	G94 L95	G94-R97 WeakPolarHBondContact O-CB 3.31Å; G94-R97 PolarHBondContact O-N 3.39Å; L95-R97 PolarHBondContact O-N 2.97Å; L95-R97 VanDerWaalsContact O-N 3.11Å
98	K	97.4	Very high	98.1	Very high	130 Å²	130	47.5 Å²	47.5	57%	0.565	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-31.3	178	-172.4	169.5	176.4	-180	0	112.1	E50 L95 K96 P100	E50-K98 IonicContact OE1-NZ 2.73Å; E50-K98 PolarHBondContact OE1-NZ 3.13Å; E50-K98 WeakPolarHBondContact OE2-CD 3.43Å; E50-K98 WeakPolarHBondContact OE2-CE 3.49Å; E50-K98 IonicContact OE2-NZ 3.44Å; E50-K98 PolarHBondContact OE2-NZ 3.43Å; L95-K98 PolarHBondContact O-N 3.25Å; K96-K98 VanDerWaalsContact C-N 3.28Å; K96-K98 PolarHBondContact O-N 3.3Å; K98-P100 WeakPolarHBondContact O-CD 3.45Å
99	Y	97.6	Very high	98.1	Very high	47 Å²	47	47.5 Å²	47.5	18%	0.184	24%	0.236	C	C	.	.	S	Bend	trans	-120	77.4	178.4	-55.6	-86.1	0	0	0	109.8	E50 L53 L95 K96 A101 L102	E50-Y99 PolarHBondContact O-OH 3.08Å; E50-Y99 WeakPolarHBondContact OE2-CE2 3.44Å; E50-Y99 PolarHBondContact OE2-OH 3.19Å; L53-Y99 HydrophobicContact CB-CD1 3.98Å; L53-Y99 HydrophobicContact CB-CD2 4.01Å; L53-Y99 HydrophobicContact CB-CE1 3.9Å; L53-Y99 HydrophobicContact CB-CE2 3.95Å; L53-Y99 HydrophobicContact CB-CG 4.04Å; L53-Y99 HydrophobicContact CD1-CD2 3.76Å; L53-Y99 HydrophobicContact CD1-CE2 3.56Å; L53-Y99 HydrophobicContact CG-CE2 4.39Å; L95-Y99 WeakPolarHBondContact O-CD2 3.43Å; L95-Y99 PolarHBondContact O-N 2.92Å; K96-Y99 CarbonylContact O-C 3.26Å; K96-Y99 VanDerWaalsContact O-C 3.26Å; Y99-A101 PolarHBondContact O-N 2.72Å; Y99-A101 VanDerWaalsContact O-N 3.15Å; Y99-L102 WeakPolarHBondContact O-CB 3.44Å; Y99-L102 PolarHBondContact O-N 3.19Å
100	P	96.6	Very high	98.1	Very high	113 Å²	113	48 Å²	48	73%	0.734	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-20.4	-169.9	24.3	-34.9	0	0	0	115	K96 K98	K96-P100 VanDerWaalsContact O-CA 3.26Å; K96-P100 WeakPolarHBondContact O-CA 3.5Å; K98-P100 WeakPolarHBondContact O-CD 3.45Å
101	A	95.9	Very high	98	Very high	90 Å²	90	46.4 Å²	46.4	74%	0.744	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-15.3	173.9	0	0	0	0	0	113.3	Y99	Y99-A101 PolarHBondContact O-N 2.72Å; Y99-A101 VanDerWaalsContact O-N 3.15Å
102	L	98.2	Very high	97.9	Very high	5 Å²	5	46.3 Å²	46.3	3%	0.026	24%	0.238	C	C	.	.			trans	-73.1	132	-177.1	-174.4	69.5	0	0	0	110.6	L53 C56 L59 Y99 V104	L53-L102 HydrophobicContact CD2-CD2 4.09Å; C56-L102 HydrophobicContact CB-CD1 3.99Å; C56-L102 WeakPolarHBondContact O-CD1 3.49Å; L59-L102 HydrophobicContact CB-CD1 4.13Å; L59-L102 HydrophobicContact CB-CD2 4.15Å; L59-L102 HydrophobicContact CB-CG 4.37Å; Y99-L102 WeakPolarHBondContact O-CB 3.44Å; Y99-L102 PolarHBondContact O-N 3.19Å; L102-V104 HydrophobicContact CD2-CG2 4.1Å; L102-V104 HydrophobicContact CG-CG2 4.24Å
103	K	98.8	Very high	97.8	Very high	85 Å²	85	47 Å²	47	37%	0.37	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	139.5	166	-58.5	-56.5	-177.4	-177.1	0	109.8	T57 H58 L59 L105 D149 I214	T57-K103 PolarHBondContact O-N 3.26Å; T57-K103 VanDerWaalsContact O-N 3.09Å; H58-K103 CarbonylContact C-O 3.52Å; H58-K103 WeakPolarHBondContact CA-O 3.26Å; H58-K103 VanDerWaalsContact CD2-CB 3.47Å; H58-K103 WeakPolarHBondContact CD2-CB 3.33Å; L59-K103 PolarHBondContact N-O 3.24Å; K103-L105 HydrophobicContact CB-CD1 4.42Å; K103-D149 WeakPolarHBondContact CA-OD2 3.19Å; K103-D149 HydrophobicContact CB-CB 4.35Å; K103-D149 HydrophobicContact CD-CB 4.21Å; K103-I214 HydrophobicContact CB-CD1 4.04Å; K103-I214 HydrophobicContact CD-CD1 4.36Å; K103-I214 HydrophobicContact CG-CD1 3.94Å
104	V	98.9	Very high	97.6	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	119.7	-178.7	-175.7	0	0	0	0	109	L59 V92 T93 K96 L102 F148 D149	L59-V104 HydrophobicContact CB-CG2 4.4Å; L59-V104 CarbonylContact O-C 3.46Å; L59-V104 VanDerWaalsContact O-CA 3.28Å; L59-V104 WeakPolarHBondContact O-CA 3.44Å; V92-V104 HydrophobicContact CG1-CG1 3.81Å; T93-V104 HydrophobicContact CG2-CB 4.44Å; T93-V104 HydrophobicContact CG2-CG1 3.95Å; K96-V104 HydrophobicContact CD-CB 4.3Å; K96-V104 HydrophobicContact CD-CG2 3.86Å; K96-V104 HydrophobicContact CG-CG2 3.61Å; L102-V104 HydrophobicContact CD2-CG2 4.1Å; L102-V104 HydrophobicContact CG-CG2 4.24Å; V104-F148 HydrophobicContact CG1-CD1 3.89Å; V104-F148 HydrophobicContact CG1-CE1 4.04Å; V104-F148 CarbonylContact O-C 3.6Å; V104-F148 WeakPolarHBondContact O-CA 3.37Å; V104-D149 PolarHBondContact N-OD2 3.19Å; V104-D149 PolarHBondContact O-N 3.11Å
105	L	98.9	Very high	97.3	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	154	-179	-67.4	93.5	0	0	0	111.2	H58 L59 Y61 K103 F148 G150 I214 Y240	H58-L105 HydrophobicContact CB-CD1 4.07Å; L59-L105 PolarHBondContact O-N 3.07Å; Y61-L105 WeakPolarHBondContact CB-O 3.28Å; Y61-L105 PolarHBondContact N-O 3.03Å; K103-L105 HydrophobicContact CB-CD1 4.42Å; L105-F148 VanDerWaalsContact C-CD1 3.46Å; L105-G150 WeakPolarHBondContact CA-O 3.39Å; L105-I214 HydrophobicContact CD2-CB 4.01Å; L105-I214 HydrophobicContact CD2-CG2 3.73Å; L105-Y240 HydrophobicContact CD2-CE1 4.18Å
106	L	98.9	Very high	96.9	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	124.5	167.7	179.2	60.8	0	0	0	109	Y61 A64 L73 F89 L142 F148 G150 L151 D152	Y61-L106 HydrophobicContact CD1-CD1 3.9Å; A64-L106 HydrophobicContact CB-CD1 4.03Å; A64-L106 HydrophobicContact CB-CD2 4.06Å; A64-L106 HydrophobicContact CB-CG 4.05Å; L73-L106 HydrophobicContact CD2-CD2 3.9Å; F89-L106 HydrophobicContact CE1-CD1 4.01Å; F89-L106 HydrophobicContact CZ-CD1 3.9Å; F89-L106 HydrophobicContact CZ-CD2 4.45Å; L106-L142 HydrophobicContact CD2-CB 4.41Å; L106-F148 HydrophobicContact CB-CD1 3.94Å; L106-F148 HydrophobicContact CB-CD2 4.14Å; L106-F148 HydrophobicContact CB-CE1 3.96Å; L106-F148 HydrophobicContact CB-CE2 4.15Å; L106-F148 HydrophobicContact CB-CG 4.04Å; L106-F148 HydrophobicContact CB-CZ 4.07Å; L106-F148 HydrophobicContact CD1-CE2 4.5Å; L106-F148 HydrophobicContact CD1-CZ 4.1Å; L106-F148 HydrophobicContact CD2-CE2 4.29Å; L106-G150 PolarHBondContact N-O 2.86Å; L106-G150 VanDerWaalsContact N-O 3.13Å; L106-L151 HydrophobicContact CB-CD1 4.39Å; L106-L151 HydrophobicContact CG-CD1 4.5Å; L106-L151 CarbonylContact O-C 3.46Å; L106-L151 WeakPolarHBondContact O-CA 3.48Å; L106-L151 VanDerWaalsContact O-CD1 3.3Å; L106-L151 WeakPolarHBondContact O-CD1 3.23Å; L106-D152 PolarHBondContact O-N 2.93Å
107	S	98.9	Very high	96	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.007	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	135.7	174.1	-168.5	0	0	0	0	111	Y61 Y63 A64 D152	Y61-S107 PolarHBondContact O-N 3Å; Y63-S107 CarbonylContact C-O 3.49Å; Y63-S107 WeakPolarHBondContact CA-O 3.38Å; A64-S107 PolarHBondContact N-O 3.34Å; S107-D152 VanDerWaalsContact CA-O 3.3Å; S107-D152 WeakPolarHBondContact CA-O 3.32Å; S107-D152 WeakPolarHBondContact CB-OD2 3.31Å; S107-D152 PolarHBondContact OG-OD2 3.46Å
108	V	98.8	Very high	95.3	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	133.3	175.1	58.1	0	0	0	0	110.8	A64 I66 L73 Y122 F135 L151 D152 L153 G154	A64-V108 HydrophobicContact CB-CB 4.34Å; A64-V108 WeakPolarHBondContact O-CA 3.19Å; I66-V108 HydrophobicContact CG1-CG2 4.38Å; L73-V108 HydrophobicContact CD1-CB 3.88Å; L73-V108 HydrophobicContact CD1-CG1 4.17Å; L73-V108 HydrophobicContact CD1-CG2 4Å; L73-V108 HydrophobicContact CG-CB 4.49Å; L73-V108 HydrophobicContact CG-CG2 4.24Å; V108-Y122 HydrophobicContact CG2-CE1 4.5Å; V108-F135 HydrophobicContact CG1-CZ 4.31Å; V108-F135 HydrophobicContact CG2-CE2 4.38Å; V108-L151 HydrophobicContact CG1-CD1 4.43Å; V108-L151 HydrophobicContact CG1-CD2 4.44Å; V108-D152 PolarHBondContact N-O 3.16Å; V108-L153 HydrophobicContact CG1-CD2 3.75Å; V108-G154 CarbonylContact O-C 3.47Å; V108-G154 VanDerWaalsContact O-CA 3.25Å; V108-G154 WeakPolarHBondContact O-CA 3.46Å; V108-G154 PolarHBondContact O-N 3.3Å
109	G	98.4	Very high	95	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	80.3	-112	-175.6	0	0	0	0	0	112.7	Y63 A64 D111 K112 Y122 Q156	Y63-G109 VanDerWaalsContact CD1-O 3.22Å; Y63-G109 WeakPolarHBondContact CD1-O 3.49Å; A64-G109 PolarHBondContact O-N 3.47Å; G109-D111 VanDerWaalsContact C-N 3.35Å; G109-D111 PolarHBondContact O-N 3.07Å; G109-K112 PolarHBondContact O-N 3.44Å; G109-Y122 WeakPolarHBondContact CA-OH 3.3Å; G109-Y122 PolarHBondContact N-OH 2.99Å; G109-Q156 VanDerWaalsContact CA-OE1 3.24Å
110	G	96.9	Very high	94.8	Very high	9 Å²	9	54.6 Å²	54.6	9%	0.093	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.8	24.4	178.6	0	0	0	0	0	114.8	K112 G154	G110-K112 PolarHBondContact O-N 2.82Å; G110-G154 PolarHBondContact N-O 3.22Å
111	D	96.3	Very high	94.8	Very high	71 Å²	71	50.2 Å²	50.2	38%	0.38	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.2	18	-168.3	-61	-52.4	0	0	0	114.1	G109 K159	G109-D111 VanDerWaalsContact C-N 3.35Å; G109-D111 PolarHBondContact O-N 3.07Å; D111-K159 WeakPolarHBondContact OD1-CE 3.46Å; D111-K159 IonicContact OD1-NZ 3.63Å; D111-K159 PolarHBondContact OD1-NZ 3.04Å; D111-K159 IonicContact OD2-NZ 2.84Å; D111-K159 PolarHBondContact OD2-NZ 2.8Å
112	K	96.5	Very high	94.9	Very high	83 Å²	83	46 Å²	46	36%	0.361	25%	0.246	S	C	.	.			trans	-115.2	-0.1	178.7	-60.5	-63.2	-175.9	126.1	0	113.3	D32 Y63 N76 G109 G110	D32-K112 IonicContact OD2-NZ 2.71Å; D32-K112 PolarHBondContact OD2-NZ 2.98Å; Y63-K112 HydrophobicContact CD2-CB 3.43Å; Y63-K112 VanDerWaalsContact CD2-CB 3.43Å; Y63-K112 HydrophobicContact CD2-CG 3.32Å; Y63-K112 HydrophobicContact CE2-CB 4.07Å; Y63-K112 HydrophobicContact CE2-CG 3.41Å; Y63-K112 VanDerWaalsContact CE2-CG 3.41Å; Y63-K112 HydrophobicContact CG-CB 3.7Å; Y63-K112 HydrophobicContact CG-CG 3.99Å; N76-K112 PolarHBondContact ND2-O 2.76Å; G109-K112 PolarHBondContact O-N 3.44Å; G110-K112 PolarHBondContact O-N 2.82Å
113	D	96.9	Very high	94.9	Very high	13 Å²	13	46.7 Å²	46.7	7%	0.07	25%	0.249	C	C	.	.	S	Bend	trans	-101	126.4	166.4	-171.4	11.4	0	0	0	109.7	G65 I66 V115 K121 Y122 Q156	G65-D113 VanDerWaalsContact CA-CG 3.41Å; G65-D113 WeakPolarHBondContact CA-OD2 3.47Å; I66-D113 PolarHBondContact N-OD2 2.84Å; D113-V115 PolarHBondContact O-N 3.25Å; D113-K121 VanDerWaalsContact CG-CE 3.45Å; D113-K121 IonicContact OD1-NZ 3.4Å; D113-K121 PolarHBondContact OD1-NZ 3.16Å; D113-K121 WeakPolarHBondContact OD2-CE 3.3Å; D113-K121 IonicContact OD2-NZ 3.43Å; D113-K121 PolarHBondContact OD2-NZ 2.86Å; D113-Y122 HydrophobicContact CB-CE2 4.26Å; D113-Y122 VanDerWaalsContact CB-OH 3.22Å; D113-Y122 WeakPolarHBondContact CB-OH 3.36Å; D113-Y122 PolarHBondContact OD2-OH 2.87Å; D113-Q156 PolarHBondContact O-NE2 3.15Å; D113-Q156 PolarHBondContact O-OE1 3.31Å
114	T	93.9	Very high	94.8	Very high	124 Å²	124	45.1 Å²	45.1	76%	0.761	25%	0.247	S	C	*	.			trans	-64.8	127.9	-178.6	-56.7	0	0	0	0	110.2	K121	T114-K121 WeakPolarHBondContact O-CE 2.99Å; T114-K121 PolarHBondContact O-NZ 2.74Å
115	V	92.2	Very high	94.7	Very high	39 Å²	39	45.1 Å²	45.1	24%	0.236	25%	0.247	C	C	.	.			trans	-120.2	131	178.9	166.5	0	0	0	0	109.3	D113 P117 N120 Y122 Q156	D113-V115 PolarHBondContact O-N 3.25Å; V115-P117 WeakPolarHBondContact O-CD 3.1Å; V115-N120 HydrophobicContact CG1-CB 3.83Å; V115-N120 VanDerWaalsContact CG1-CG 3.46Å; V115-N120 WeakPolarHBondContact CG1-OD1 3.29Å; V115-Y122 HydrophobicContact CG2-CD2 3.62Å; V115-Y122 HydrophobicContact CG2-CE2 3.68Å; V115-Q156 HydrophobicContact CG2-CB 4.48Å
116	D	89	Confident	94.7	Very high	84 Å²	84	45.2 Å²	45.2	45%	0.449	25%	0.248	S	C	.	.			trans	-72.9	122.3	166.6	-177	-17.3	0	0	0	108.7	E118 N119 N120	D116-E118 PolarHBondContact O-N 2.8Å; D116-E118 PolarHBondContact OD1-N 2.8Å; D116-N119 HydrophobicContact CB-CB 4.35Å; D116-N119 CarbonylContact O-C 3.55Å; D116-N119 PolarHBondContact O-N 3.44Å; D116-N120 PolarHBondContact O-N 3.34Å
117	P	79.8	Confident	94.5	Very high	128 Å²	128	48.9 Å²	48.9	83%	0.831	27%	0.265	S	S	*	.	S	Bend	trans	-59.2	-29.6	177.4	-23.7	34.4	0	0	0	114.3	V115	V115-P117 WeakPolarHBondContact O-CD 3.1Å
118	E	83.2	Confident	94.3	Very high	190 Å²	190	51 Å²	51	89%	0.888	28%	0.28	S	S	*	.	S	Bend	trans	-84.6	-28.3	179.5	-62.4	-175.3	176.4	0	0	111.9	D116	D116-E118 PolarHBondContact O-N 2.8Å; D116-E118 PolarHBondContact OD1-N 2.8Å
119	N	89.5	Confident	94.1	Very high	90 Å²	90	54.3 Å²	54.3	48%	0.481	30%	0.303	S	S	.	.	S	Bend	trans	-133.3	74.9	-179.1	-172.3	22.6	0	0	0	111.1	D116 K121 T124	D116-N119 HydrophobicContact CB-CB 4.35Å; D116-N119 CarbonylContact O-C 3.55Å; D116-N119 PolarHBondContact O-N 3.44Å; N119-K121 PolarHBondContact O-N 3.04Å; N119-T124 PolarHBondContact OD1-OG1 3.3Å; N119-T124 VanDerWaalsContact OD1-OG1 3.09Å
120	N	94.9	Very high	94.1	Very high	21 Å²	21	60 Å²	60	11%	0.112	33%	0.333	C	S	.	.			trans	-70.6	99.3	179.7	-174.3	-13.5	0	0	0	110.7	V115 D116 Y122 L123 T124 Q156	V115-N120 HydrophobicContact CG1-CB 3.83Å; V115-N120 VanDerWaalsContact CG1-CG 3.46Å; V115-N120 WeakPolarHBondContact CG1-OD1 3.29Å; D116-N120 PolarHBondContact O-N 3.34Å; N120-Y122 PolarHBondContact O-N 3.47Å; N120-Y122 WeakPolarHBondContact OD1-CB 3.43Å; N120-Y122 PolarHBondContact OD1-N 3.49Å; N120-L123 HydrophobicContact CB-CB 4.39Å; N120-L123 HydrophobicContact CB-CD1 4.1Å; N120-L123 HydrophobicContact CB-CG 4.03Å; N120-L123 WeakPolarHBondContact O-CA 3.36Å; N120-L123 WeakPolarHBondContact O-CB 3.25Å; N120-L123 PolarHBondContact O-N 3.1Å; N120-T124 PolarHBondContact O-N 3.28Å; N120-T124 PolarHBondContact O-OG1 2.92Å; N120-Q156 PolarHBondContact ND2-O 3.27Å
121	K	96.8	Very high	94.1	Very high	22 Å²	22	60 Å²	60	10%	0.096	33%	0.332	C	S	.	.	H	α-helix	trans	-52.7	-24.4	178.7	66.5	-171.8	179.5	179.7	0	115.1	I66 P68 D113 T114 N119 L125	I66-K121 HydrophobicContact CB-CD 4.2Å; I66-K121 HydrophobicContact CB-CG 4.42Å; I66-K121 WeakPolarHBondContact O-CD 3.05Å; I66-K121 WeakPolarHBondContact O-CE 3.39Å; I66-K121 PolarHBondContact O-NZ 2.9Å; P68-K121 HydrophobicContact CB-CB 4.18Å; P68-K121 HydrophobicContact CB-CD 4.3Å; D113-K121 VanDerWaalsContact CG-CE 3.45Å; D113-K121 IonicContact OD1-NZ 3.4Å; D113-K121 PolarHBondContact OD1-NZ 3.16Å; D113-K121 WeakPolarHBondContact OD2-CE 3.3Å; D113-K121 IonicContact OD2-NZ 3.43Å; D113-K121 PolarHBondContact OD2-NZ 2.86Å; T114-K121 WeakPolarHBondContact O-CE 2.99Å; T114-K121 PolarHBondContact O-NZ 2.74Å; N119-K121 PolarHBondContact O-N 3.04Å; K121-L125 VanDerWaalsContact O-CB 3.23Å; K121-L125 WeakPolarHBondContact O-CB 3.37Å; K121-L125 PolarHBondContact O-N 3.48Å; K121-L125 VanDerWaalsContact O-N 3.14Å
122	Y	98	Very high	94.2	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-72.3	-31.2	173.7	-72.9	-95.1	0	0	0	112.4	I66 V108 G109 D113 V115 N120 L126 W155 Q156	I66-Y122 HydrophobicContact CD1-CD1 3.49Å; I66-Y122 VanDerWaalsContact CD1-CD1 3.49Å; I66-Y122 HydrophobicContact CD1-CD2 4.36Å; I66-Y122 HydrophobicContact CD1-CE1 3.46Å; I66-Y122 VanDerWaalsContact CD1-CE1 3.46Å; I66-Y122 HydrophobicContact CD1-CE2 4.33Å; I66-Y122 HydrophobicContact CD1-CG 3.96Å; I66-Y122 HydrophobicContact CG1-CE1 4.2Å; V108-Y122 HydrophobicContact CG2-CE1 4.5Å; G109-Y122 WeakPolarHBondContact CA-OH 3.3Å; G109-Y122 PolarHBondContact N-OH 2.99Å; D113-Y122 HydrophobicContact CB-CE2 4.26Å; D113-Y122 VanDerWaalsContact CB-OH 3.22Å; D113-Y122 WeakPolarHBondContact CB-OH 3.36Å; D113-Y122 PolarHBondContact OD2-OH 2.87Å; V115-Y122 HydrophobicContact CG2-CD2 3.62Å; V115-Y122 HydrophobicContact CG2-CE2 3.68Å; N120-Y122 PolarHBondContact O-N 3.47Å; N120-Y122 WeakPolarHBondContact OD1-CB 3.43Å; N120-Y122 PolarHBondContact OD1-N 3.49Å; Y122-L126 WeakPolarHBondContact O-CG 3.16Å; Y122-W155 AromaticContact CD1-CD2 3.67Å; Y122-W155 HydrophobicContact CD1-CD2 3.67Å; Y122-W155 AromaticContact CD1-CE2 3.68Å; Y122-W155 AromaticContact CD1-CE3 3.99Å; Y122-W155 HydrophobicContact CD1-CE3 3.99Å; Y122-W155 HydrophobicContact CD1-CG 4.03Å; Y122-W155 HydrophobicContact CD1-CH2 4.29Å; Y122-W155 HydrophobicContact CD1-CZ2 4.01Å; Y122-W155 HydrophobicContact CD1-CZ3 4.29Å; Y122-W155 HydrophobicContact CE1-CD2 4.4Å; Y122-W155 HydrophobicContact CE1-CE3 4.33Å; Y122-W155 WeakPolarHBondContact O-CZ2 3.43Å; Y122-W155 PolarHBondContact O-NE1 3.42Å; Y122-W155 VanDerWaalsContact O-NE1 3.15Å; Y122-Q156 HydrophobicContact CD1-CB 4.46Å; Y122-Q156 HydrophobicContact CD2-CB 3.85Å; Y122-Q156 HydrophobicContact CE2-CB 3.98Å; Y122-Q156 HydrophobicContact CE2-CG 4.19Å; Y122-Q156 HydrophobicContact CG-CB 4.12Å
123	L	97.1	Very high	94.3	Very high	20 Å²	20	57.8 Å²	57.8	11%	0.105	32%	0.322	C	S	.	.	H	α-helix	trans	-80.2	-49	173.7	-58.9	-175.6	0	0	0	110.4	N120 L125 L126 E127 F157 P158	N120-L123 HydrophobicContact CB-CB 4.39Å; N120-L123 HydrophobicContact CB-CD1 4.1Å; N120-L123 HydrophobicContact CB-CG 4.03Å; N120-L123 WeakPolarHBondContact O-CA 3.36Å; N120-L123 WeakPolarHBondContact O-CB 3.25Å; N120-L123 PolarHBondContact O-N 3.1Å; L123-L125 PolarHBondContact O-N 3.22Å; L123-L125 VanDerWaalsContact O-N 3.11Å; L123-L126 WeakPolarHBondContact O-CA 3.34Å; L123-L126 VanDerWaalsContact O-CB 3.32Å; L123-L126 WeakPolarHBondContact O-CB 3.28Å; L123-L126 PolarHBondContact O-N 2.9Å; L123-E127 WeakPolarHBondContact O-CG 3.31Å; L123-E127 PolarHBondContact O-N 2.98Å; L123-F157 HydrophobicContact CD2-CD1 3.76Å; L123-F157 HydrophobicContact CD2-CE1 4.07Å; L123-P158 HydrophobicContact CD1-CG 3.82Å
124	T	96	Very high	94.3	Very high	53 Å²	53	58.7 Å²	58.7	33%	0.325	33%	0.329	S	S	.	.	H	α-helix	trans	-54.7	-35.9	178.9	-44.5	0	0	0	0	112.6	N119 N120 L126	N119-T124 PolarHBondContact OD1-OG1 3.3Å; N119-T124 VanDerWaalsContact OD1-OG1 3.09Å; N120-T124 PolarHBondContact O-N 3.28Å; N120-T124 PolarHBondContact O-OG1 2.92Å; T124-L126 VanDerWaalsContact C-N 3.34Å
125	L	97.8	Very high	94.6	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-65.9	-35.7	175.5	-171.7	149.1	0	0	0	112.7	I66 N71 K121 L123 R132 F135 W155 L200	I66-L125 HydrophobicContact CD1-CD1 3.95Å; I66-L125 HydrophobicContact CG1-CD1 4.43Å; I66-L125 HydrophobicContact CG2-CD1 3.78Å; N71-L125 HydrophobicContact CB-CD1 4.06Å; K121-L125 VanDerWaalsContact O-CB 3.23Å; K121-L125 WeakPolarHBondContact O-CB 3.37Å; K121-L125 PolarHBondContact O-N 3.48Å; K121-L125 VanDerWaalsContact O-N 3.14Å; L123-L125 PolarHBondContact O-N 3.22Å; L123-L125 VanDerWaalsContact O-N 3.11Å; L125-R132 HydrophobicContact CD2-CG 4Å; L125-R132 WeakPolarHBondContact O-CG 3.22Å; L125-F135 HydrophobicContact CD1-CB 3.85Å; L125-F135 HydrophobicContact CD1-CD2 3.74Å; L125-F135 HydrophobicContact CD1-CG 3.93Å; L125-F135 HydrophobicContact CD2-CB 4.3Å; L125-F135 HydrophobicContact CD2-CG 4.31Å; L125-W155 HydrophobicContact CD2-CH2 3.9Å; L125-W155 HydrophobicContact CD2-CZ2 4.07Å; L125-L200 HydrophobicContact CD2-CD2 4.47Å
126	L	98.1	Very high	94.9	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-70.3	-40.4	179.6	-68.3	178	0	0	0	111.9	Y122 L123 T124 S128 R132 W155 F157 H193 A196 F197 L200	Y122-L126 WeakPolarHBondContact O-CG 3.16Å; L123-L126 WeakPolarHBondContact O-CA 3.34Å; L123-L126 VanDerWaalsContact O-CB 3.32Å; L123-L126 WeakPolarHBondContact O-CB 3.28Å; L123-L126 PolarHBondContact O-N 2.9Å; T124-L126 VanDerWaalsContact C-N 3.34Å; L126-S128 PolarHBondContact O-N 3.42Å; L126-R132 PolarHBondContact O-NH1 2.86Å; L126-W155 HydrophobicContact CD2-CZ2 3.98Å; L126-W155 HydrophobicContact CG-CZ2 4.07Å; L126-F157 HydrophobicContact CD1-CE1 3.81Å; L126-F157 HydrophobicContact CD1-CZ 4.1Å; L126-H193 HydrophobicContact CD1-CB 4.44Å; L126-A196 HydrophobicContact CB-CB 3.81Å; L126-A196 WeakPolarHBondContact O-CB 3.34Å; L126-F197 HydrophobicContact CD1-CB 3.98Å; L126-F197 HydrophobicContact CD1-CD2 4.29Å; L126-F197 HydrophobicContact CD2-CB 4.19Å; L126-F197 HydrophobicContact CD2-CD2 4.17Å; L126-L200 HydrophobicContact CD2-CB 4Å; L126-L200 HydrophobicContact CD2-CD2 3.68Å; L126-L200 HydrophobicContact CD2-CG 4.45Å
127	E	95.9	Very high	95.3	Very high	77 Å²	77	52.4 Å²	52.4	36%	0.36	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-13.3	-176.7	-65.1	177.4	143.6	0	0	114.1	L123 K189 H193	L123-E127 WeakPolarHBondContact O-CG 3.31Å; L123-E127 PolarHBondContact O-N 2.98Å; E127-K189 WeakPolarHBondContact OE1-CD 3.41Å; E127-K189 IonicContact OE1-NZ 3.71Å; E127-K189 PolarHBondContact OE1-NZ 2.93Å; E127-H193 WeakPolarHBondContact CG-NE2 3.46Å; E127-H193 IonicContact OE1-NE2 3.02Å; E127-H193 PolarHBondContact OE1-NE2 2.94Å
128	S	95.2	Very high	96.3	Very high	47 Å²	47	47 Å²	47	33%	0.329	25%	0.254	S	S	.	.			trans	-131.3	117.9	179	174.1	0	0	0	0	112.3	L126 N130 A131 R132	L126-S128 PolarHBondContact O-N 3.42Å; S128-N130 PolarHBondContact O-N 2.82Å; S128-N130 PolarHBondContact OG-N 3.2Å; S128-A131 WeakPolarHBondContact O-CA 3.23Å; S128-A131 WeakPolarHBondContact O-CB 3.3Å; S128-A131 PolarHBondContact O-N 3.22Å; S128-A131 PolarHBondContact OG-N 3.4Å; S128-R132 PolarHBondContact O-N 3.27Å
129	S	94.5	Very high	97	Very high	68 Å²	68	38 Å²	38	48%	0.476	21%	0.212	S	C	.	.	H	α-helix	trans	-57.5	-35.3	172.9	55.8	0	0	0	0	112.6	A131 R132	S129-A131 VanDerWaalsContact C-N 3.31Å; S129-A131 PolarHBondContact O-N 2.85Å; S129-R132 PolarHBondContact O-N 3.41Å
130	N	97.1	Very high	97.4	Very high	120 Å²	120	35.7 Å²	35.7	64%	0.642	20%	0.198	S	C	*	.	H	α-helix	trans	-68	-30.3	174.8	-71.5	-23.8	0	0	0	112.4	S128 P134	S128-N130 PolarHBondContact O-N 2.82Å; S128-N130 PolarHBondContact OG-N 3.2Å; N130-P134 WeakPolarHBondContact O-CD 3.27Å
131	A	96.8	Very high	97.6	Very high	8 Å²	8	37.6 Å²	37.6	7%	0.066	21%	0.213	C	C	.	.	H	α-helix	trans	-73.2	-28.1	175	0	0	0	0	0	112.7	N71 S128 S129 P134	N71-A131 HydrophobicContact CB-CB 4.34Å; N71-A131 WeakPolarHBondContact CB-O 3.28Å; N71-A131 VanDerWaalsContact ND2-CB 3.33Å; N71-A131 WeakPolarHBondContact ND2-CB 3.48Å; S128-A131 WeakPolarHBondContact O-CA 3.23Å; S128-A131 WeakPolarHBondContact O-CB 3.3Å; S128-A131 PolarHBondContact O-N 3.22Å; S128-A131 PolarHBondContact OG-N 3.4Å; S129-A131 VanDerWaalsContact C-N 3.31Å; S129-A131 PolarHBondContact O-N 2.85Å; A131-P134 VanDerWaalsContact O-CD 3.27Å; A131-P134 WeakPolarHBondContact O-CD 3.24Å; A131-P134 VanDerWaalsContact O-CG 3.24Å; A131-P134 WeakPolarHBondContact O-CG 3.1Å
132	R	98.3	Very high	97.7	Very high	21 Å²	21	37.8 Å²	37.8	8%	0.079	22%	0.215	C	C	.	.	H	α-helix	trans	-69.8	-31.5	176.3	-60.7	-163.5	-60.2	-91.9	5.3	113.4	L125 L126 S128 S129 F135 I136 L200 E203	L125-R132 HydrophobicContact CD2-CG 4Å; L125-R132 WeakPolarHBondContact O-CG 3.22Å; L126-R132 PolarHBondContact O-NH1 2.86Å; S128-R132 PolarHBondContact O-N 3.27Å; S129-R132 PolarHBondContact O-N 3.41Å; R132-F135 WeakPolarHBondContact O-CB 3.3Å; R132-F135 PolarHBondContact O-N 2.89Å; R132-I136 HydrophobicContact CB-CD1 4.16Å; R132-I136 WeakPolarHBondContact O-CD1 3.47Å; R132-I136 VanDerWaalsContact O-CG1 3.25Å; R132-I136 WeakPolarHBondContact O-CG1 3.37Å; R132-I136 PolarHBondContact O-N 3.23Å; R132-L200 HydrophobicContact CB-CD1 4.21Å; R132-L200 HydrophobicContact CG-CD1 4.21Å; R132-E203 IonicContact CZ-OE1 3.43Å; R132-E203 IonicContact CZ-OE2 3.59Å; R132-E203 IonicContact NE-OE1 2.68Å; R132-E203 IonicContact NE-OE2 3.47Å; R132-E203 PolarHBondContact NE-OE2 2.95Å; R132-E203 IonicContact NH2-OE1 2.7Å; R132-E203 PolarHBondContact NH2-OE1 3.18Å; R132-E203 IonicContact NH2-OE2 2.66Å; R132-E203 PolarHBondContact NH2-OE2 3.25Å
133	I	98.4	Very high	97.7	Very high	87 Å²	87	37.8 Å²	37.8	45%	0.446	22%	0.215	S	C	.	.	H	α-helix	trans	-56.8	-55.4	-179.5	-63.6	170.7	0	0	0	113.1	F135 I136 N137	I133-F135 PolarHBondContact O-N 2.88Å; I133-I136 PolarHBondContact O-N 2.84Å; I133-N137 WeakPolarHBondContact O-CB 3.17Å; I133-N137 VanDerWaalsContact O-CG 3.3Å; I133-N137 PolarHBondContact O-N 3.49Å; I133-N137 PolarHBondContact O-ND2 2.84Å
134	P	98.5	Very high	97.8	Very high	33 Å²	33	42 Å²	42	21%	0.214	23%	0.233	C	C	.	.	H	α-helix	trans	-62	-32.9	178.3	24.9	-35.8	0	0	0	112.4	S70 N71 K72 N130 A131 S138	S70-P134 WeakPolarHBondContact O-CB 3.14Å; N71-P134 HydrophobicContact CB-CG 3.8Å; K72-P134 HydrophobicContact CG-CB 4.09Å; N130-P134 WeakPolarHBondContact O-CD 3.27Å; A131-P134 VanDerWaalsContact O-CD 3.27Å; A131-P134 WeakPolarHBondContact O-CD 3.24Å; A131-P134 VanDerWaalsContact O-CG 3.24Å; A131-P134 WeakPolarHBondContact O-CG 3.1Å; P134-S138 VanDerWaalsContact O-CB 3.29Å; P134-S138 WeakPolarHBondContact O-CB 3.29Å; P134-S138 PolarHBondContact O-N 3.02Å; P134-S138 PolarHBondContact O-OG 2.85Å
135	F	98.8	Very high	97.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61.7	-53.8	173.5	-177.7	-97.8	0	0	0	111.8	I66 N71 L73 V108 L125 R132 I133 N137 S138 A139 W155 L200 L204	I66-F135 HydrophobicContact CD1-CD2 4.42Å; I66-F135 HydrophobicContact CD1-CE2 4.1Å; I66-F135 HydrophobicContact CG1-CD2 4.14Å; I66-F135 HydrophobicContact CG1-CE2 3.83Å; N71-F135 WeakPolarHBondContact O-CA 3.45Å; N71-F135 VanDerWaalsContact O-CB 3.22Å; N71-F135 WeakPolarHBondContact O-CB 3.37Å; N71-F135 PolarHBondContact O-N 3.25Å; N71-F135 VanDerWaalsContact O-N 3.12Å; L73-F135 HydrophobicContact CB-CD2 4.15Å; L73-F135 HydrophobicContact CB-CE2 3.95Å; L73-F135 HydrophobicContact CD1-CE2 3.92Å; L73-F135 HydrophobicContact CD1-CZ 3.92Å; L73-F135 HydrophobicContact CG-CE2 4.28Å; V108-F135 HydrophobicContact CG1-CZ 4.31Å; V108-F135 HydrophobicContact CG2-CE2 4.38Å; L125-F135 HydrophobicContact CD1-CB 3.85Å; L125-F135 HydrophobicContact CD1-CD2 3.74Å; L125-F135 HydrophobicContact CD1-CG 3.93Å; L125-F135 HydrophobicContact CD2-CB 4.3Å; L125-F135 HydrophobicContact CD2-CG 4.31Å; R132-F135 WeakPolarHBondContact O-CB 3.3Å; R132-F135 PolarHBondContact O-N 2.89Å; I133-F135 PolarHBondContact O-N 2.88Å; F135-N137 VanDerWaalsContact C-N 3.33Å; F135-N137 PolarHBondContact O-N 2.8Å; F135-S138 PolarHBondContact O-N 3.42Å; F135-S138 PolarHBondContact O-OG 2.03Å; F135-A139 VanDerWaalsContact O-CB 3.28Å; F135-A139 WeakPolarHBondContact O-CB 3.3Å; F135-A139 PolarHBondContact O-N 2.83Å; F135-W155 HydrophobicContact CE1-CH2 4.26Å; F135-W155 HydrophobicContact CE1-CZ3 4Å; F135-W155 HydrophobicContact CE2-CH2 4.32Å; F135-W155 HydrophobicContact CE2-CZ3 4.21Å; F135-W155 HydrophobicContact CZ-CH2 4.05Å; F135-W155 AromaticContact CZ-CZ3 3.63Å; F135-W155 HydrophobicContact CZ-CZ3 3.63Å; F135-L200 HydrophobicContact CD1-CD1 3.92Å; F135-L200 HydrophobicContact CE1-CD1 4.28Å; F135-L204 HydrophobicContact CD1-CD2 4.2Å; F135-L204 HydrophobicContact CE1-CD1 4Å; F135-L204 HydrophobicContact CE1-CD2 4.01Å; F135-L204 HydrophobicContact CE1-CG 4.5Å
136	I	98.8	Very high	98	Very high	14 Å²	14	43.8 Å²	43.8	7%	0.072	24%	0.241	C	C	.	.	H	α-helix	trans	-59.3	-46.1	-179.1	-67	157.2	0	0	0	110.7	R132 I133 A139 H140 L200 E203 L204 A207	R132-I136 HydrophobicContact CB-CD1 4.16Å; R132-I136 WeakPolarHBondContact O-CD1 3.47Å; R132-I136 VanDerWaalsContact O-CG1 3.25Å; R132-I136 WeakPolarHBondContact O-CG1 3.37Å; R132-I136 PolarHBondContact O-N 3.23Å; I133-I136 PolarHBondContact O-N 2.84Å; I136-A139 PolarHBondContact O-N 2.87Å; I136-H140 WeakPolarHBondContact O-CB 3.36Å; I136-H140 PolarHBondContact O-N 3.46Å; I136-L200 HydrophobicContact CD1-CD1 4.37Å; I136-L200 HydrophobicContact CG1-CD1 4.16Å; I136-E203 HydrophobicContact CD1-CB 3.6Å; I136-L204 HydrophobicContact CB-CD2 4.14Å; I136-L204 HydrophobicContact CG1-CD2 3.68Å; I136-L204 HydrophobicContact CG1-CG 3.96Å; I136-L204 HydrophobicContact CG2-CD2 4.25Å; I136-A207 HydrophobicContact CG2-CB 3.52Å
137	N	98.7	Very high	98	Very high	101 Å²	101	45.2 Å²	45.2	54%	0.54	26%	0.256	S	S	.	.	H	α-helix	trans	-65.3	-41.6	-179.1	-71	-17.1	0	0	0	112.3	I133 F135 S141	I133-N137 WeakPolarHBondContact O-CB 3.17Å; I133-N137 VanDerWaalsContact O-CG 3.3Å; I133-N137 PolarHBondContact O-N 3.49Å; I133-N137 PolarHBondContact O-ND2 2.84Å; F135-N137 VanDerWaalsContact C-N 3.33Å; F135-N137 PolarHBondContact O-N 2.8Å; N137-S141 VanDerWaalsContact O-CB 3.23Å; N137-S141 WeakPolarHBondContact O-CB 3.41Å; N137-S141 PolarHBondContact O-N 3.24Å
138	S	98.8	Very high	98.1	Very high	15 Å²	15	41.7 Å²	41.7	11%	0.105	24%	0.239	C	C	.	.	H	α-helix	trans	-72.4	-36.6	177.7	52.8	0	0	0	0	112.4	K72 L73 P134 F135 S141 L142	K72-S138 VanDerWaalsContact CA-OG 3.3Å; K72-S138 WeakPolarHBondContact CA-OG 3.26Å; L73-S138 PolarHBondContact N-OG 2.75Å; P134-S138 VanDerWaalsContact O-CB 3.29Å; P134-S138 WeakPolarHBondContact O-CB 3.29Å; P134-S138 PolarHBondContact O-N 3.02Å; P134-S138 PolarHBondContact O-OG 2.85Å; F135-S138 PolarHBondContact O-N 3.42Å; F135-S138 PolarHBondContact O-OG 2.03Å; S138-S141 PolarHBondContact O-N 3.29Å; S138-L142 WeakPolarHBondContact O-CB 3.48Å; S138-L142 WeakPolarHBondContact O-CG 3.36Å; S138-L142 PolarHBondContact O-N 3.46Å
139	A	98.9	Very high	98.3	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60	-50.5	172.9	0	0	0	0	0	111.4	L73 F135 I136 S141 L142 V143 L151 L204 F208	L73-A139 HydrophobicContact CB-CB 4.37Å; L73-A139 HydrophobicContact CD1-CB 3.84Å; F135-A139 VanDerWaalsContact O-CB 3.28Å; F135-A139 WeakPolarHBondContact O-CB 3.3Å; F135-A139 PolarHBondContact O-N 2.83Å; I136-A139 PolarHBondContact O-N 2.87Å; A139-S141 VanDerWaalsContact C-N 3.35Å; A139-S141 PolarHBondContact O-N 3.47Å; A139-L142 PolarHBondContact O-N 2.82Å; A139-V143 WeakPolarHBondContact O-CB 3.16Å; A139-V143 VanDerWaalsContact O-CG2 3.27Å; A139-V143 WeakPolarHBondContact O-CG2 3.13Å; A139-V143 PolarHBondContact O-N 2.89Å; A139-L151 HydrophobicContact CB-CD2 4.11Å; A139-L204 HydrophobicContact CB-CD2 4.33Å; A139-F208 HydrophobicContact CB-CZ 4.42Å
140	H	98.7	Very high	98.5	Very high	41 Å²	41	37.7 Å²	37.7	19%	0.19	21%	0.209	C	C	.	.	H	α-helix	trans	-58.7	-46.7	175.2	-178.8	-81.5	0	0	0	111.6	I136 L142 V143 K144 A207 F208 D211 Y213	I136-H140 WeakPolarHBondContact O-CB 3.36Å; I136-H140 PolarHBondContact O-N 3.46Å; H140-L142 PolarHBondContact O-N 2.84Å; H140-V143 PolarHBondContact O-N 2.91Å; H140-K144 VanDerWaalsContact O-CB 3.29Å; H140-K144 WeakPolarHBondContact O-CB 3.4Å; H140-K144 PolarHBondContact O-N 3.32Å; H140-A207 PolarHBondContact CD2-O 3.33Å; H140-F208 HydrophobicContact CB-CD1 4.47Å; H140-F208 HydrophobicContact CB-CE1 3.97Å; H140-D211 IonicContact CD2-OD2 2.82Å; H140-D211 IonicContact CE1-OD2 2.69Å; H140-D211 PolarHBondContact CE1-OD2 2.91Å; H140-D211 IonicContact NE2-OD2 2.77Å; H140-D211 PolarHBondContact NE2-OD2 2.57Å; H140-Y213 AromaticContact CD2-CE2 3.96Å; H140-Y213 AromaticContact NE2-CE2 3.81Å
141	S	98.6	Very high	98.6	Very high	61 Å²	61	32 Å²	32	43%	0.427	18%	0.178	S	C	.	.	H	α-helix	trans	-60.3	-45.5	179.5	-176.9	0	0	0	0	112.6	N137 S138 A139 K144 T145	N137-S141 VanDerWaalsContact O-CB 3.23Å; N137-S141 WeakPolarHBondContact O-CB 3.41Å; N137-S141 PolarHBondContact O-N 3.24Å; S138-S141 PolarHBondContact O-N 3.29Å; A139-S141 VanDerWaalsContact C-N 3.35Å; A139-S141 PolarHBondContact O-N 3.47Å; S141-K144 PolarHBondContact O-N 2.8Å; S141-T145 WeakPolarHBondContact O-CB 3.33Å; S141-T145 PolarHBondContact O-N 2.83Å; S141-T145 PolarHBondContact O-OG1 3.45Å
142	L	98.6	Very high	98.7	Very high	26 Å²	26	31.6 Å²	31.6	14%	0.136	18%	0.175	C	C	.	.	H	α-helix	trans	-67.5	-44.6	179	-77.3	174.5	0	0	0	111.9	L73 L106 S138 A139 H140 K144 T145 Y146	L73-L142 HydrophobicContact CD2-CD1 3.27Å; L73-L142 HydrophobicContact CD2-CG 4.48Å; L73-L142 HydrophobicContact CG-CD1 4.47Å; L73-L142 VanDerWaalsContact O-CD1 3.23Å; L73-L142 WeakPolarHBondContact O-CD1 3.49Å; L106-L142 HydrophobicContact CD2-CB 4.41Å; S138-L142 WeakPolarHBondContact O-CB 3.48Å; S138-L142 WeakPolarHBondContact O-CG 3.36Å; S138-L142 PolarHBondContact O-N 3.46Å; A139-L142 PolarHBondContact O-N 2.82Å; H140-L142 PolarHBondContact O-N 2.84Å; L142-K144 VanDerWaalsContact C-N 3.31Å; L142-K144 PolarHBondContact O-N 2.97Å; L142-T145 PolarHBondContact O-N 3.12Å; L142-Y146 HydrophobicContact CD2-CD2 3.77Å; L142-Y146 HydrophobicContact CD2-CE2 3.51Å; L142-Y146 PolarHBondContact O-N 2.8Å; L142-Y146 VanDerWaalsContact O-N 3.12Å
143	V	98.9	Very high	98.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-56	-49.4	175.8	167.9	0	0	0	0	110.1	A139 H140 G147 F148 L151 F208 Y213	A139-V143 WeakPolarHBondContact O-CB 3.16Å; A139-V143 VanDerWaalsContact O-CG2 3.27Å; A139-V143 WeakPolarHBondContact O-CG2 3.13Å; A139-V143 PolarHBondContact O-N 2.89Å; H140-V143 PolarHBondContact O-N 2.91Å; V143-G147 PolarHBondContact O-N 2.83Å; V143-G147 VanDerWaalsContact O-N 3.1Å; V143-F148 HydrophobicContact CB-CB 4.35Å; V143-F148 HydrophobicContact CG1-CB 4.03Å; V143-F148 WeakPolarHBondContact CG1-O 3.37Å; V143-F148 HydrophobicContact CG2-CB 4.38Å; V143-F148 PolarHBondContact O-N 2.92Å; V143-L151 HydrophobicContact CG2-CB 4.38Å; V143-F208 HydrophobicContact CG2-CE2 4.43Å; V143-F208 HydrophobicContact CG2-CZ 4.13Å; V143-Y213 HydrophobicContact CG1-CD1 3.64Å; V143-Y213 HydrophobicContact CG1-CD2 3.93Å; V143-Y213 HydrophobicContact CG1-CE1 3.64Å; V143-Y213 HydrophobicContact CG1-CE2 3.94Å; V143-Y213 HydrophobicContact CG1-CG 3.81Å
144	K	98.6	Very high	98.7	Very high	109 Å²	109	26.5 Å²	26.5	47%	0.474	15%	0.15	S	C	.	.	H	α-helix	trans	-66.7	-50.1	-179.6	-172.5	163.2	-171.5	148.1	0	113.2	H140 S141 L142 Y146 G147 D211 Y213	H140-K144 VanDerWaalsContact O-CB 3.29Å; H140-K144 WeakPolarHBondContact O-CB 3.4Å; H140-K144 PolarHBondContact O-N 3.32Å; S141-K144 PolarHBondContact O-N 2.8Å; L142-K144 VanDerWaalsContact C-N 3.31Å; L142-K144 PolarHBondContact O-N 2.97Å; K144-Y146 VanDerWaalsContact C-N 3.32Å; K144-Y146 PolarHBondContact O-N 2.63Å; K144-G147 PolarHBondContact O-N 2.9Å; K144-D211 IonicContact NZ-OD1 2.81Å; K144-D211 PolarHBondContact NZ-OD1 3.03Å; K144-Y213 WeakPolarHBondContact CA-OH 3.44Å; K144-Y213 VanDerWaalsContact CB-OH 3.3Å; K144-Y213 WeakPolarHBondContact CB-OH 3.25Å; K144-Y213 WeakPolarHBondContact CG-OH 3.3Å
145	T	98.4	Very high	98.7	Very high	64 Å²	64	25 Å²	25	39%	0.393	14%	0.141	S	C	.	.	H	α-helix	trans	-64.1	-38.4	-172.8	-62.1	0	0	0	0	112.1	R90 S141 L142	R90-T145 PolarHBondContact NH1-O 2.9Å; R90-T145 PolarHBondContact NH2-O 3.07Å; S141-T145 WeakPolarHBondContact O-CB 3.33Å; S141-T145 PolarHBondContact O-N 2.83Å; S141-T145 PolarHBondContact O-OG1 3.45Å; L142-T145 PolarHBondContact O-N 3.12Å
146	Y	98.6	Very high	98.7	Very high	26 Å²	26	25.7 Å²	25.7	10%	0.102	14%	0.144	C	C	.	.	H	α-helix	trans	-97.7	-1.9	-177.3	-68.7	-75.9	0	0	0	113.7	L82 F89 R90 T93 L142 K144	L82-Y146 HydrophobicContact CD2-CE1 4.43Å; L82-Y146 HydrophobicContact CD2-CE2 3.98Å; L82-Y146 WeakPolarHBondContact CD2-OH 3.21Å; F89-Y146 HydrophobicContact CB-CD1 3.68Å; F89-Y146 HydrophobicContact CB-CE1 4.39Å; F89-Y146 HydrophobicContact CB-CG 3.93Å; F89-Y146 AromaticContact CD2-CD1 4Å; F89-Y146 HydrophobicContact CD2-CD1 4Å; F89-Y146 AromaticContact CD2-CD2 3.8Å; F89-Y146 HydrophobicContact CD2-CD2 3.8Å; F89-Y146 HydrophobicContact CD2-CE1 4.33Å; F89-Y146 HydrophobicContact CD2-CE2 4.14Å; F89-Y146 AromaticContact CD2-CG 3.73Å; F89-Y146 HydrophobicContact CD2-CG 3.73Å; F89-Y146 HydrophobicContact CE2-CD2 4.44Å; F89-Y146 HydrophobicContact CG-CD1 4.38Å; F89-Y146 HydrophobicContact CG-CG 4.34Å; R90-Y146 HydrophobicContact CG-CD1 3.87Å; R90-Y146 HydrophobicContact CG-CE1 4.42Å; T93-Y146 WeakPolarHBondContact CB-O 3.27Å; T93-Y146 WeakPolarHBondContact CG2-O 3.36Å; T93-Y146 PolarHBondContact OG1-O 2.53Å; L142-Y146 HydrophobicContact CD2-CD2 3.77Å; L142-Y146 HydrophobicContact CD2-CE2 3.51Å; L142-Y146 PolarHBondContact O-N 2.8Å; L142-Y146 VanDerWaalsContact O-N 3.12Å; K144-Y146 VanDerWaalsContact C-N 3.32Å; K144-Y146 PolarHBondContact O-N 2.63Å
147	G	98.4	Very high	98.6	Very high	31 Å²	31	25.2 Å²	25.2	32%	0.32	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	26.8	172.6	0	0	0	0	0	114.4	K96 V143 K144	K96-G147 WeakPolarHBondContact CE-O 3.17Å; K96-G147 PolarHBondContact NZ-O 3.33Å; V143-G147 PolarHBondContact O-N 2.83Å; V143-G147 VanDerWaalsContact O-N 3.1Å; K144-G147 PolarHBondContact O-N 2.9Å
148	F	98.9	Very high	98.4	Very high	3 Å²	3	21.9 Å²	21.9	1%	0.013	13%	0.125	C	C	.	.			trans	-69.7	153.3	168.5	-66.2	-82.9	0	0	0	110.2	F89 T93 V104 L105 L106 V143	F89-F148 HydrophobicContact CB-CE2 4.12Å; F89-F148 HydrophobicContact CB-CZ 4.11Å; F89-F148 HydrophobicContact CD1-CE2 4.37Å; F89-F148 AromaticContact CD1-CZ 3.91Å; F89-F148 HydrophobicContact CD1-CZ 3.91Å; F89-F148 HydrophobicContact CD2-CE2 4.02Å; F89-F148 HydrophobicContact CD2-CZ 4.38Å; F89-F148 HydrophobicContact CE1-CZ 4.39Å; F89-F148 HydrophobicContact CE2-CE2 4.49Å; F89-F148 AromaticContact CG-CE2 3.93Å; F89-F148 HydrophobicContact CG-CE2 3.93Å; F89-F148 AromaticContact CG-CZ 3.89Å; F89-F148 HydrophobicContact CG-CZ 3.89Å; T93-F148 HydrophobicContact CG2-CB 4.45Å; T93-F148 HydrophobicContact CG2-CD1 3.56Å; T93-F148 HydrophobicContact CG2-CD2 4.07Å; T93-F148 HydrophobicContact CG2-CE1 3.69Å; T93-F148 HydrophobicContact CG2-CE2 4.19Å; T93-F148 HydrophobicContact CG2-CG 3.76Å; T93-F148 HydrophobicContact CG2-CZ 4Å; V104-F148 HydrophobicContact CG1-CD1 3.89Å; V104-F148 HydrophobicContact CG1-CE1 4.04Å; V104-F148 CarbonylContact O-C 3.6Å; V104-F148 WeakPolarHBondContact O-CA 3.37Å; L105-F148 VanDerWaalsContact C-CD1 3.46Å; L106-F148 HydrophobicContact CB-CD1 3.94Å; L106-F148 HydrophobicContact CB-CD2 4.14Å; L106-F148 HydrophobicContact CB-CE1 3.96Å; L106-F148 HydrophobicContact CB-CE2 4.15Å; L106-F148 HydrophobicContact CB-CG 4.04Å; L106-F148 HydrophobicContact CB-CZ 4.07Å; L106-F148 HydrophobicContact CD1-CE2 4.5Å; L106-F148 HydrophobicContact CD1-CZ 4.1Å; L106-F148 HydrophobicContact CD2-CE2 4.29Å; V143-F148 HydrophobicContact CB-CB 4.35Å; V143-F148 HydrophobicContact CG1-CB 4.03Å; V143-F148 WeakPolarHBondContact CG1-O 3.37Å; V143-F148 HydrophobicContact CG2-CB 4.38Å; V143-F148 PolarHBondContact O-N 2.92Å
149	D	98.9	Very high	98.1	Very high	32 Å²	32	24.6 Å²	24.6	17%	0.171	14%	0.135	C	C	.	.	S	Bend	trans	-88.9	-6.2	174.7	-57.3	-72.6	0	0	0	112.5	K96 K103 V104 Y213 I214	K96-D149 WeakPolarHBondContact CD-OD2 3.39Å; K96-D149 IonicContact NZ-OD1 2.72Å; K96-D149 PolarHBondContact NZ-OD1 2.87Å; K96-D149 IonicContact NZ-OD2 2.75Å; K96-D149 PolarHBondContact NZ-OD2 3.44Å; K103-D149 WeakPolarHBondContact CA-OD2 3.19Å; K103-D149 HydrophobicContact CB-CB 4.35Å; K103-D149 HydrophobicContact CD-CB 4.21Å; V104-D149 PolarHBondContact N-OD2 3.19Å; V104-D149 PolarHBondContact O-N 3.11Å; D149-Y213 WeakPolarHBondContact O-CA 3.44Å; D149-I214 HydrophobicContact CB-CD1 4.35Å; D149-I214 PolarHBondContact O-N 3.25Å
150	G	98.9	Very high	97.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.9	-173.6	-178	0	0	0	0	0	114.7	L105 L106 I214	L105-G150 WeakPolarHBondContact CA-O 3.39Å; L106-G150 PolarHBondContact N-O 2.86Å; L106-G150 VanDerWaalsContact N-O 3.13Å; G150-I214 CarbonylContact C-O 3.56Å; G150-I214 WeakPolarHBondContact CA-O 3.34Å
151	L	98.9	Very high	96.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	138.9	179.8	-171.1	78.8	0	0	0	110.2	L73 L106 V108 A139 V143 L153 F208 I214 L215 G216	L73-L151 HydrophobicContact CD1-CD1 3.64Å; L73-L151 HydrophobicContact CD1-CD2 4.25Å; L106-L151 HydrophobicContact CB-CD1 4.39Å; L106-L151 HydrophobicContact CG-CD1 4.5Å; L106-L151 CarbonylContact O-C 3.46Å; L106-L151 WeakPolarHBondContact O-CA 3.48Å; L106-L151 VanDerWaalsContact O-CD1 3.3Å; L106-L151 WeakPolarHBondContact O-CD1 3.23Å; V108-L151 HydrophobicContact CG1-CD1 4.43Å; V108-L151 HydrophobicContact CG1-CD2 4.44Å; A139-L151 HydrophobicContact CB-CD2 4.11Å; V143-L151 HydrophobicContact CG2-CB 4.38Å; L151-L153 HydrophobicContact CD2-CD2 3.58Å; L151-L153 HydrophobicContact CD2-CG 4.46Å; L151-L153 HydrophobicContact CG-CD2 4.31Å; L151-F208 HydrophobicContact CB-CE2 3.56Å; L151-F208 HydrophobicContact CB-CZ 3.86Å; L151-F208 HydrophobicContact CD2-CZ 4.41Å; L151-I214 PolarHBondContact N-O 3.5Å; L151-L215 HydrophobicContact CB-CD1 4.34Å; L151-L215 WeakPolarHBondContact O-CA 3.47Å; L151-G216 PolarHBondContact O-N 3.26Å
152	D	98.9	Very high	95.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	124.3	170.1	176.3	67.4	0	0	0	109.8	Y30 V60 L106 S107 V108 G154 S218 Y240	Y30-D152 VanDerWaalsContact OH-CG 3.31Å; Y30-D152 PolarHBondContact OH-OD1 3.09Å; Y30-D152 PolarHBondContact OH-OD2 3.32Å; V60-D152 HydrophobicContact CG1-CB 3.92Å; L106-D152 PolarHBondContact O-N 2.93Å; S107-D152 VanDerWaalsContact CA-O 3.3Å; S107-D152 WeakPolarHBondContact CA-O 3.32Å; S107-D152 WeakPolarHBondContact CB-OD2 3.31Å; S107-D152 PolarHBondContact OG-OD2 3.46Å; V108-D152 PolarHBondContact N-O 3.16Å; D152-G154 PolarHBondContact O-N 3Å; D152-S218 VanDerWaalsContact CG-OG 3.28Å; D152-S218 PolarHBondContact OD1-OG 3.09Å; D152-S218 PolarHBondContact OD2-OG 2.91Å; D152-Y240 PolarHBondContact OD1-OH 3.39Å
153	L	98.9	Very high	93.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	92.9	-178.3	-63.7	178.2	0	0	0	110.5	V108 L151 W155 F197 V201 L204 L215 G216 L217 S218	V108-L153 HydrophobicContact CG1-CD2 3.75Å; L151-L153 HydrophobicContact CD2-CD2 3.58Å; L151-L153 HydrophobicContact CD2-CG 4.46Å; L151-L153 HydrophobicContact CG-CD2 4.31Å; L153-W155 HydrophobicContact CD2-CE3 4.23Å; L153-W155 HydrophobicContact CD2-CZ3 4.27Å; L153-W155 PolarHBondContact O-N 3.41Å; L153-F197 HydrophobicContact CD1-CZ 4.36Å; L153-V201 HydrophobicContact CD1-CG2 4.11Å; L153-L204 HydrophobicContact CD1-CD1 3.86Å; L153-L204 HydrophobicContact CD2-CD1 4.03Å; L153-L215 HydrophobicContact CD1-CD1 4.05Å; L153-L215 HydrophobicContact CG-CD1 4.09Å; L153-G216 PolarHBondContact N-O 3.2Å; L153-L217 HydrophobicContact CB-CD1 4.14Å; L153-L217 WeakPolarHBondContact O-CD1 3.35Å; L153-S218 PolarHBondContact O-N 2.92Å
154	G	98.6	Very high	91.4	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	59	166.6	0	0	0	0	0	111.4	V108 G110 D152 Q156	V108-G154 CarbonylContact O-C 3.47Å; V108-G154 VanDerWaalsContact O-CA 3.25Å; V108-G154 WeakPolarHBondContact O-CA 3.46Å; V108-G154 PolarHBondContact O-N 3.3Å; G110-G154 PolarHBondContact N-O 3.22Å; D152-G154 PolarHBondContact O-N 3Å; G154-Q156 PolarHBondContact O-N 3.44Å
155	W	98.6	Very high	89.4	Confident	3 Å²	3	35.8 Å²	35.8	1%	0.011	18%	0.181	C	C	.	.			trans	-63.8	123.7	-170.1	-149.1	-97.5	0	0	0	112	I66 Y122 L125 L126 F135 L153 F157 F197 L200	I66-W155 HydrophobicContact CD1-CH2 3.97Å; I66-W155 HydrophobicContact CD1-CZ2 4.4Å; I66-W155 HydrophobicContact CD1-CZ3 4.43Å; Y122-W155 AromaticContact CD1-CD2 3.67Å; Y122-W155 HydrophobicContact CD1-CD2 3.67Å; Y122-W155 AromaticContact CD1-CE2 3.68Å; Y122-W155 AromaticContact CD1-CE3 3.99Å; Y122-W155 HydrophobicContact CD1-CE3 3.99Å; Y122-W155 HydrophobicContact CD1-CG 4.03Å; Y122-W155 HydrophobicContact CD1-CH2 4.29Å; Y122-W155 HydrophobicContact CD1-CZ2 4.01Å; Y122-W155 HydrophobicContact CD1-CZ3 4.29Å; Y122-W155 HydrophobicContact CE1-CD2 4.4Å; Y122-W155 HydrophobicContact CE1-CE3 4.33Å; Y122-W155 WeakPolarHBondContact O-CZ2 3.43Å; Y122-W155 PolarHBondContact O-NE1 3.42Å; Y122-W155 VanDerWaalsContact O-NE1 3.15Å; L125-W155 HydrophobicContact CD2-CH2 3.9Å; L125-W155 HydrophobicContact CD2-CZ2 4.07Å; L126-W155 HydrophobicContact CD2-CZ2 3.98Å; L126-W155 HydrophobicContact CG-CZ2 4.07Å; F135-W155 HydrophobicContact CE1-CH2 4.26Å; F135-W155 HydrophobicContact CE1-CZ3 4Å; F135-W155 HydrophobicContact CE2-CH2 4.32Å; F135-W155 HydrophobicContact CE2-CZ3 4.21Å; F135-W155 HydrophobicContact CZ-CH2 4.05Å; F135-W155 AromaticContact CZ-CZ3 3.63Å; F135-W155 HydrophobicContact CZ-CZ3 3.63Å; L153-W155 HydrophobicContact CD2-CE3 4.23Å; L153-W155 HydrophobicContact CD2-CZ3 4.27Å; L153-W155 PolarHBondContact O-N 3.41Å; W155-F157 VanDerWaalsContact C-N 3.29Å; W155-F157 HydrophobicContact CB-CD2 4.11Å; W155-F157 HydrophobicContact CB-CE2 3.88Å; W155-F157 AromaticContact CD1-CD2 3.78Å; W155-F157 AromaticContact CD1-CE1 3.69Å; W155-F157 AromaticContact CD1-CE2 3.41Å; W155-F157 VanDerWaalsContact CD1-CE2 3.41Å; W155-F157 AromaticContact CD1-CZ 3.37Å; W155-F157 HydrophobicContact CG-CD2 4.32Å; W155-F157 AromaticContact CG-CE2 3.9Å; W155-F157 HydrophobicContact CG-CE2 3.9Å; W155-F157 HydrophobicContact CG-CZ 4.18Å; W155-F157 AromaticContact NE1-CZ 3.98Å; W155-F157 PolarHBondContact O-N 3Å; W155-F197 HydrophobicContact CB-CE2 3.82Å; W155-F197 HydrophobicContact CB-CZ 4.29Å; W155-F197 HydrophobicContact CD2-CD2 4.11Å; W155-F197 AromaticContact CD2-CE2 3.66Å; W155-F197 HydrophobicContact CD2-CE2 3.66Å; W155-F197 HydrophobicContact CE3-CE2 4.06Å; W155-F197 HydrophobicContact CG-CD2 4.04Å; W155-F197 AromaticContact CG-CE2 3.55Å; W155-F197 HydrophobicContact CG-CE2 3.55Å; W155-F197 HydrophobicContact CG-CZ 4.47Å; W155-L200 HydrophobicContact CE3-CD2 4.26Å; W155-L200 HydrophobicContact CH2-CD2 3.32Å; W155-L200 HydrophobicContact CZ2-CD2 3.69Å; W155-L200 HydrophobicContact CZ3-CD2 3.63Å
156	Q	97.9	Very high	87.2	Confident	13 Å²	13	35.5 Å²	35.5	6%	0.061	18%	0.175	C	C	.	.			trans	-87.5	65.6	-172.5	-67.5	179.9	-168.7	0	0	112	G109 D113 V115 N120 Y122 G154 L220	G109-Q156 VanDerWaalsContact CA-OE1 3.24Å; D113-Q156 PolarHBondContact O-NE2 3.15Å; D113-Q156 PolarHBondContact O-OE1 3.31Å; V115-Q156 HydrophobicContact CG2-CB 4.48Å; N120-Q156 PolarHBondContact ND2-O 3.27Å; Y122-Q156 HydrophobicContact CD1-CB 4.46Å; Y122-Q156 HydrophobicContact CD2-CB 3.85Å; Y122-Q156 HydrophobicContact CE2-CB 3.98Å; Y122-Q156 HydrophobicContact CE2-CG 4.19Å; Y122-Q156 HydrophobicContact CG-CB 4.12Å; G154-Q156 PolarHBondContact O-N 3.44Å; Q156-L220 HydrophobicContact CB-CD1 4.41Å; Q156-L220 HydrophobicContact CG-CD1 3.74Å
157	F	97.2	Very high	84.9	Confident	5 Å²	5	35.6 Å²	35.6	2%	0.022	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-64.1	154.5	170.1	-72.5	-68	0	0	0	112.1	L123 L126 W155 K159 F197 V223 F228 F229	L123-F157 HydrophobicContact CD2-CD1 3.76Å; L123-F157 HydrophobicContact CD2-CE1 4.07Å; L126-F157 HydrophobicContact CD1-CE1 3.81Å; L126-F157 HydrophobicContact CD1-CZ 4.1Å; W155-F157 VanDerWaalsContact C-N 3.29Å; W155-F157 HydrophobicContact CB-CD2 4.11Å; W155-F157 HydrophobicContact CB-CE2 3.88Å; W155-F157 AromaticContact CD1-CD2 3.78Å; W155-F157 AromaticContact CD1-CE1 3.69Å; W155-F157 AromaticContact CD1-CE2 3.41Å; W155-F157 VanDerWaalsContact CD1-CE2 3.41Å; W155-F157 AromaticContact CD1-CZ 3.37Å; W155-F157 HydrophobicContact CG-CD2 4.32Å; W155-F157 AromaticContact CG-CE2 3.9Å; W155-F157 HydrophobicContact CG-CE2 3.9Å; W155-F157 HydrophobicContact CG-CZ 4.18Å; W155-F157 AromaticContact NE1-CZ 3.98Å; W155-F157 PolarHBondContact O-N 3Å; F157-K159 PolarHBondContact O-N 3.27Å; F157-F197 HydrophobicContact CE2-CD1 4.39Å; F157-F197 HydrophobicContact CE2-CD2 4.01Å; F157-F197 HydrophobicContact CE2-CE2 4.14Å; F157-F197 HydrophobicContact CE2-CG 4.15Å; F157-F197 HydrophobicContact CE2-CZ 4.38Å; F157-F197 HydrophobicContact CZ-CB 3.89Å; F157-F197 HydrophobicContact CZ-CD1 4.22Å; F157-F197 AromaticContact CZ-CD2 3.59Å; F157-F197 HydrophobicContact CZ-CD2 3.59Å; F157-F197 HydrophobicContact CZ-CE2 4.17Å; F157-F197 AromaticContact CZ-CG 3.62Å; F157-F197 HydrophobicContact CZ-CG 3.62Å; F157-V223 HydrophobicContact CB-CG1 3.81Å; F157-V223 HydrophobicContact CB-CG2 4.18Å; F157-V223 HydrophobicContact CD2-CG1 4.13Å; F157-V223 HydrophobicContact CG-CG1 4.36Å; F157-F228 HydrophobicContact CB-CD1 4.29Å; F157-F228 HydrophobicContact CB-CD2 3.81Å; F157-F228 HydrophobicContact CB-CE1 4.34Å; F157-F228 HydrophobicContact CB-CE2 3.89Å; F157-F228 HydrophobicContact CB-CG 4.02Å; F157-F228 HydrophobicContact CB-CZ 4.16Å; F157-F228 HydrophobicContact CD1-CB 4.14Å; F157-F228 AromaticContact CD1-CD1 3.32Å; F157-F228 HydrophobicContact CD1-CD1 3.32Å; F157-F228 HydrophobicContact CD1-CD2 4.32Å; F157-F228 AromaticContact CD1-CE1 3.69Å; F157-F228 HydrophobicContact CD1-CE1 3.69Å; F157-F228 AromaticContact CD1-CG 3.67Å; F157-F228 HydrophobicContact CD1-CG 3.67Å; F157-F228 HydrophobicContact CD1-CZ 4.34Å; F157-F228 HydrophobicContact CD2-CB 3.93Å; F157-F228 HydrophobicContact CD2-CG 4.1Å; F157-F228 HydrophobicContact CE1-CB 4.19Å; F157-F228 AromaticContact CE1-CD1 3.67Å; F157-F228 HydrophobicContact CE1-CD1 3.67Å; F157-F228 HydrophobicContact CE1-CE1 4.34Å; F157-F228 HydrophobicContact CE1-CG 4.11Å; F157-F228 HydrophobicContact CE2-CB 3.97Å; F157-F228 HydrophobicContact CE2-CG 4.49Å; F157-F228 HydrophobicContact CG-CB 4.01Å; F157-F228 AromaticContact CG-CD1 3.83Å; F157-F228 HydrophobicContact CG-CD1 3.83Å; F157-F228 AromaticContact CG-CD2 3.99Å; F157-F228 HydrophobicContact CG-CD2 3.99Å; F157-F228 HydrophobicContact CG-CE1 4.27Å; F157-F228 HydrophobicContact CG-CE2 4.43Å; F157-F228 AromaticContact CG-CG 3.66Å; F157-F228 HydrophobicContact CG-CG 3.66Å; F157-F228 HydrophobicContact CZ-CB 4.09Å; F157-F228 HydrophobicContact CZ-CD1 4.4Å; F157-F228 HydrophobicContact CZ-CG 4.49Å; F157-F229 HydrophobicContact CD2-CE1 4.22Å; F157-F229 AromaticContact CD2-CZ 3.92Å; F157-F229 HydrophobicContact CD2-CZ 3.92Å; F157-F229 AromaticContact CE2-CE1 3.63Å; F157-F229 HydrophobicContact CE2-CE1 3.63Å; F157-F229 AromaticContact CE2-CZ 3.82Å; F157-F229 HydrophobicContact CE2-CZ 3.82Å
158	P	94.4	Very high	82.8	Confident	31 Å²	31	39.2 Å²	39.2	20%	0.201	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-52.5	138.1	168.7	-26.1	34.9	0	0	0	112.1	L123 V186 D187 F228	L123-P158 HydrophobicContact CD1-CG 3.82Å; P158-V186 HydrophobicContact CB-CG1 3.86Å; P158-V186 WeakPolarHBondContact CB-O 3.35Å; P158-D187 HydrophobicContact CG-CB 4.44Å; P158-F228 HydrophobicContact CB-CZ 4.33Å; P158-F228 HydrophobicContact CG-CZ 4.32Å; P158-F228 WeakPolarHBondContact O-CE2 3.44Å
159	K	92.4	Very high	80.6	Confident	72 Å²	72	45.1 Å²	45.1	31%	0.313	24%	0.235	S	C	.	.	B	Isolated β-bridge	trans	-95.8	147.8	-177	-65.9	178.3	179.6	175.4	0	111.1	D111 F157 K161 P221 N222 V223	D111-K159 WeakPolarHBondContact OD1-CE 3.46Å; D111-K159 IonicContact OD1-NZ 3.63Å; D111-K159 PolarHBondContact OD1-NZ 3.04Å; D111-K159 IonicContact OD2-NZ 2.84Å; D111-K159 PolarHBondContact OD2-NZ 2.8Å; F157-K159 PolarHBondContact O-N 3.27Å; K159-K161 PolarHBondContact O-N 3.01Å; K159-P221 WeakPolarHBondContact CD-O 3.37Å; K159-P221 WeakPolarHBondContact CE-O 3.42Å; K159-N222 WeakPolarHBondContact CA-O 3.25Å; K159-N222 HydrophobicContact CB-CB 4.19Å; K159-N222 HydrophobicContact CG-CB 4.5Å; K159-V223 HydrophobicContact CG-CG2 4.27Å
160	N	87.4	Confident	78.4	Confident	22 Å²	22	44.6 Å²	44.6	12%	0.118	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-53.8	132.4	169.5	-75.8	-27.9	0	0	0	110.2	N222 R253	N160-N222 PolarHBondContact N-O 3.41Å; N160-R253 PolarHBondContact O-NH1 3.26Å; N160-R253 VanDerWaalsContact O-NH1 3.1Å; N160-R253 PolarHBondContact O-NH2 3.14Å
161	K	78.3	Confident	76.2	Confident	128 Å²	128	49.9 Å²	49.9	56%	0.557	26%	0.261	S	S	*	.	P	Polyproline II helix	trans	-63.2	145.3	168.8	-73.2	-170	-177.5	-179.9	0	109.8	K159 K163 H184	K159-K161 PolarHBondContact O-N 3.01Å; K161-K163 PolarHBondContact O-N 3.39Å; K161-H184 HydrophobicContact CD-CB 4.1Å; K161-H184 PolarHBondContact NZ-CE1 2.88Å; K161-H184 PolarHBondContact NZ-ND1 3.01Å
162	P	68.6	Low	74.2	Confident	41 Å²	41	58.1 Å²	58.1	27%	0.266	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-61.6	123.7	174.2	26.4	-33	0	0	0	109	K164 R253	P162-K164 PolarHBondContact O-N 3.47Å; P162-K164 VanDerWaalsContact O-N 3.08Å; P162-R253 HydrophobicContact CB-CB 4.39Å; P162-R253 WeakPolarHBondContact CG-O 3.27Å
163	K	63.7	Low	71.9	Confident	149 Å²	149	67.3 Å²	67.3	65%	0.648	33%	0.332	S	S	*	.			trans	-68.9	104.9	161	-75.8	-174.7	178.1	173.9	0	105.8	K161 V165	K161-K163 PolarHBondContact O-N 3.39Å; K163-V165 PolarHBondContact O-N 3.39Å
164	K	55.2	Low	69.5	Low	106 Å²	106	72.3 Å²	72.3	46%	0.461	35%	0.354	S	S	.	.			trans	-49.1	111.1	176.6	-76.7	-161.2	168.5	-146.9	0	108.7	P162 H166 E256	P162-K164 PolarHBondContact O-N 3.47Å; P162-K164 VanDerWaalsContact O-N 3.08Å; K164-H166 WeakPolarHBondContact CB-NE2 3.32Å; K164-H166 PolarHBondContact O-CD2 3.49Å; K164-H166 PolarHBondContact O-N 3.05Å; K164-H166 PolarHBondContact O-NE2 2.8Å; K164-E256 IonicContact NZ-OE1 2.69Å; K164-E256 PolarHBondContact NZ-OE1 3.26Å; K164-E256 VanDerWaalsContact NZ-OE1 3.16Å; K164-E256 IonicContact NZ-OE2 3.16Å; K164-E256 PolarHBondContact NZ-OE2 2.99Å
165	V	55.6	Low	67.2	Low	25 Å²	25	75.7 Å²	75.7	15%	0.152	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-71.2	116.7	168.4	179.2	0	0	0	0	105.3	K163 V257 P317	K163-V165 PolarHBondContact O-N 3.39Å; V165-V257 WeakPolarHBondContact O-CG2 3.4Å; V165-P317 HydrophobicContact CG1-CB 4.19Å; V165-P317 HydrophobicContact CG1-CG 4.14Å
166	H	52.1	Low	64.6	Low	58 Å²	58	84.8 Å²	84.8	27%	0.269	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-90.9	129.1	179.6	-71.7	-83.9	0	0	0	108.7	K164 K171 K174	K164-H166 WeakPolarHBondContact CB-NE2 3.32Å; K164-H166 PolarHBondContact O-CD2 3.49Å; K164-H166 PolarHBondContact O-N 3.05Å; K164-H166 PolarHBondContact O-NE2 2.8Å; H166-K171 HydrophobicContact CB-CG 4.49Å; H166-K174 WeakPolarHBondContact NE2-CE 3.46Å; H166-K174 PolarHBondContact NE2-NZ 3.45Å
167	G	50.8	Low	61.8	Low	29 Å²	29	91.9 Å²	91.9	30%	0.299	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-56.5	165.1	162	0	0	0	0	0	111.1	I169 G170 K171	G167-I169 PolarHBondContact O-N 2.93Å; G167-G170 PolarHBondContact O-N 2.94Å; G167-K171 PolarHBondContact O-N 3.02Å
168	S	54.5	Low	59	Low	107 Å²	107	100.5 Å²	100.5	75%	0.748	50%	0.496	S	S	*	.	H	α-helix	trans	-49.8	-36	-178	50.8	0	0	0	0	113.5
169	I	53.7	Low	56.4	Low	126 Å²	126	105.7 Å²	105.7	65%	0.646	52%	0.521	S	S	*	.	H	α-helix	trans	-70.7	-35.2	177.2	-65.9	171.6	0	0	0	112.5	G167 K171 F172	G167-I169 PolarHBondContact O-N 2.93Å; I169-K171 VanDerWaalsContact C-N 3.29Å; I169-K171 PolarHBondContact O-N 3.33Å; I169-F172 PolarHBondContact O-N 3.08Å
170	G	51.5	Low	53.5	Low	22 Å²	22	111 Å²	111	23%	0.227	54%	0.544	C	S	.	.	H	α-helix	trans	-68.7	-24.9	178.4	0	0	0	0	0	113.8	G167	G167-G170 PolarHBondContact O-N 2.94Å
171	K	52.8	Low	51.4	Low	111 Å²	111	114.5 Å²	114.5	48%	0.483	57%	0.57	S	S	.	*	H	α-helix	trans	-67.4	-35.5	173.6	-70.5	-176.6	-174.6	172.9	0	112	H166 G167 I169 W173 K174 E269	H166-K171 HydrophobicContact CB-CG 4.49Å; G167-K171 PolarHBondContact O-N 3.02Å; I169-K171 VanDerWaalsContact C-N 3.29Å; I169-K171 PolarHBondContact O-N 3.33Å; K171-W173 PolarHBondContact O-N 3.06Å; K171-K174 PolarHBondContact O-N 3.3Å; K171-E269 VanDerWaalsContact NZ-CD 3.31Å; K171-E269 IonicContact NZ-OE1 2.83Å; K171-E269 PolarHBondContact NZ-OE1 3.19Å; K171-E269 IonicContact NZ-OE2 3.36Å; K171-E269 PolarHBondContact NZ-OE2 2.83Å
172	F	56.2	Low	49.7	Very low	173 Å²	173	111 Å²	111	76%	0.759	57%	0.57	S	S	*	*	H	α-helix	trans	-63	-40	179.6	-175.2	-101.7	0	0	0	112.2	I169 K174	I169-F172 PolarHBondContact O-N 3.08Å; F172-K174 VanDerWaalsContact C-N 3.32Å; F172-K174 PolarHBondContact O-N 3.15Å
173	W	52	Low	49	Very low	193 Å²	193	116.7 Å²	116.7	73%	0.731	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-79.7	-6.5	-178.4	-71.9	93.6	0	0	0	114.9	K171	K171-W173 PolarHBondContact O-N 3.06Å
174	K	48.8	Very low	49.2	Very low	105 Å²	105	115.9 Å²	115.9	46%	0.457	60%	0.597	S	S	.	*	G	3₁₀ helix	trans	-92.6	-1.1	-177.8	-101.2	-169.8	175.2	-174.4	0	115.9	H166 K171 F172 F176	H166-K174 WeakPolarHBondContact NE2-CE 3.46Å; H166-K174 PolarHBondContact NE2-NZ 3.45Å; K171-K174 PolarHBondContact O-N 3.3Å; F172-K174 VanDerWaalsContact C-N 3.32Å; F172-K174 PolarHBondContact O-N 3.15Å; K174-F176 PolarHBondContact O-N 3.48Å
175	G	48.8	Very low	50.5	Low	70 Å²	70	115.7 Å²	115.7	72%	0.722	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-54.3	-31.1	164.1	0	0	0	0	0	112.5
176	F	44.8	Very low	52	Low	194 Å²	194	116.4 Å²	116.4	85%	0.851	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	-22.2	-174.4	-92.4	-91.4	0	0	0	116.1	K174	K174-F176 PolarHBondContact O-N 3.48Å
177	K	38.5	Very low	53.9	Low	163 Å²	163	114.8 Å²	114.8	71%	0.709	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	1.8	-172.8	-96.2	-177.8	-179.9	173.4	0	115.9	I179 F180	K177-I179 PolarHBondContact O-N 3.12Å; K177-F180 PolarHBondContact O-N 2.75Å
178	K	39.2	Very low	55.8	Low	186 Å²	186	122.1 Å²	122.1	81%	0.809	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	-7	179.4	-114.5	-176.7	179.7	-178	0	114.7
179	I	38.7	Very low	57.8	Low	140 Å²	140	121.3 Å²	121.3	72%	0.718	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	-16.7	-176.8	-61.7	175.6	0	0	0	113	K177	K177-I179 PolarHBondContact O-N 3.12Å
180	F	31.9	Very low	59.8	Low	184 Å²	184	115.8 Å²	115.8	81%	0.807	58%	0.584	S	S	*	*	S	Bend	trans	-126.7	6.7	-170.2	-71.7	-77.9	0	0	0	117.3	K177 G182	K177-F180 PolarHBondContact O-N 2.75Å; F180-G182 VanDerWaalsContact C-N 3.3Å; F180-G182 PolarHBondContact O-N 3.44Å; F180-G182 VanDerWaalsContact O-N 3.08Å
181	S	43.4	Very low	61.9	Low	95 Å²	95	120 Å²	120	66%	0.664	60%	0.598	S	S	*	*			trans	-84.2	79.6	168.7	62.7	0	0	0	0	109.4	D183	S181-D183 PolarHBondContact O-N 3.3Å
182	G	43.7	Very low	64.1	Low	53 Å²	53	118.9 Å²	118.9	55%	0.546	60%	0.595	S	S	.	*			trans	-54.4	137.8	164.5	0	0	0	0	0	109.3	F180 H184	F180-G182 VanDerWaalsContact C-N 3.3Å; F180-G182 PolarHBondContact O-N 3.44Å; F180-G182 VanDerWaalsContact O-N 3.08Å; G182-H184 PolarHBondContact O-N 2.94Å
183	D	53	Low	66.1	Low	162 Å²	162	110.9 Å²	110.9	87%	0.866	56%	0.56	S	S	*	*			trans	-54.6	109.1	173.3	-75.6	-37.5	0	0	0	108.1	S181 V185	S181-D183 PolarHBondContact O-N 3.3Å; D183-V185 PolarHBondContact O-N 2.79Å
184	H	67.8	Low	68.3	Low	131 Å²	131	103.1 Å²	103.1	61%	0.606	53%	0.531	S	S	*	.			trans	-68.9	107.1	177.8	-77.7	-59.1	0	0	0	108.2	K161 G182 V186	K161-H184 HydrophobicContact CD-CB 4.1Å; K161-H184 PolarHBondContact NZ-CE1 2.88Å; K161-H184 PolarHBondContact NZ-ND1 3.01Å; G182-H184 PolarHBondContact O-N 2.94Å; H184-V186 PolarHBondContact O-N 2.77Å
185	V	82.3	Confident	70.7	Confident	103 Å²	103	104.9 Å²	104.9	62%	0.624	54%	0.541	S	S	*	.			trans	-60.8	121.3	169.6	-178.4	0	0	0	0	108	D183 D187 E188	D183-V185 PolarHBondContact O-N 2.79Å; V185-D187 VanDerWaalsContact CG1-C 3.48Å; V185-D187 WeakPolarHBondContact CG1-O 3.3Å; V185-E188 HydrophobicContact CG1-CB 4.5Å; V185-E188 HydrophobicContact CG1-CG 3.96Å
186	V	88.1	Confident	73	Confident	39 Å²	39	102.2 Å²	102.2	24%	0.236	51%	0.512	C	S	.	.	S	Bend	trans	-73	-35.3	179.6	172.2	0	0	0	0	110.6	P158 H184 L227 F228	P158-V186 HydrophobicContact CB-CG1 3.86Å; P158-V186 WeakPolarHBondContact CB-O 3.35Å; H184-V186 PolarHBondContact O-N 2.77Å; V186-L227 HydrophobicContact CB-CD1 3.89Å; V186-L227 HydrophobicContact CG1-CD1 4.24Å; V186-L227 HydrophobicContact CG2-CD1 4.21Å; V186-F228 HydrophobicContact CG1-CE2 4.18Å; V186-F228 HydrophobicContact CG1-CZ 4.12Å
187	D	91.1	Very high	75.6	Confident	25 Å²	25	93 Å²	93	13%	0.134	47%	0.471	C	S	.	.			trans	-158.1	122.3	178.4	175.3	9.8	0	0	0	108.8	P158 V185 K189 A190 H193 F228	P158-D187 HydrophobicContact CG-CB 4.44Å; V185-D187 VanDerWaalsContact CG1-C 3.48Å; V185-D187 WeakPolarHBondContact CG1-O 3.3Å; D187-K189 PolarHBondContact O-N 2.76Å; D187-K189 PolarHBondContact OD1-N 2.95Å; D187-A190 HydrophobicContact CB-CB 4.2Å; D187-A190 PolarHBondContact O-N 2.78Å; D187-A190 WeakPolarHBondContact OD2-CA 3.47Å; D187-A190 PolarHBondContact OD2-N 3.43Å; D187-H193 IonicContact OD1-CE1 3.18Å; D187-H193 IonicContact OD1-ND1 3.82Å; D187-H193 PolarHBondContact OD1-ND1 3.29Å; D187-H193 IonicContact OD2-CE1 2.7Å; D187-H193 IonicContact OD2-CG 3.68Å; D187-H193 IonicContact OD2-ND1 3.62Å; D187-H193 PolarHBondContact OD2-ND1 3.29Å; D187-F228 HydrophobicContact CB-CE1 4.01Å; D187-F228 HydrophobicContact CB-CZ 3.92Å; D187-F228 VanDerWaalsContact OD2-CE1 3.31Å; D187-F228 WeakPolarHBondContact OD2-CE1 3.46Å
188	E	91.8	Very high	78.5	Confident	183 Å²	183	86 Å²	86	86%	0.855	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-22.1	-179	-64.2	-176.2	169.8	0	0	112.4	V185	V185-E188 HydrophobicContact CG1-CB 4.5Å; V185-E188 HydrophobicContact CG1-CG 3.96Å
189	K	95	Very high	81.3	Confident	89 Å²	89	77.8 Å²	77.8	39%	0.387	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	26	179.6	-66	-174.7	179	-175	0	112.7	E127 D187 E191 E192 H193	E127-K189 WeakPolarHBondContact OE1-CD 3.41Å; E127-K189 IonicContact OE1-NZ 3.71Å; E127-K189 PolarHBondContact OE1-NZ 2.93Å; D187-K189 PolarHBondContact O-N 2.76Å; D187-K189 PolarHBondContact OD1-N 2.95Å; K189-E191 VanDerWaalsContact C-N 3.29Å; K189-E191 PolarHBondContact O-N 3.27Å; K189-E191 VanDerWaalsContact O-N 3.14Å; K189-E192 HydrophobicContact CB-CB 4.35Å; K189-E192 PolarHBondContact O-N 3.25Å; K189-H193 PolarHBondContact O-N 3.06Å
190	A	95.8	Very high	84.2	Confident	10 Å²	10	71.1 Å²	71.1	8%	0.083	38%	0.375	C	S	.	.	H	α-helix	trans	-51.3	-42.9	-173.3	0	0	0	0	0	113.9	D187 K194 L227	D187-A190 HydrophobicContact CB-CB 4.2Å; D187-A190 PolarHBondContact O-N 2.78Å; D187-A190 WeakPolarHBondContact OD2-CA 3.47Å; D187-A190 PolarHBondContact OD2-N 3.43Å; A190-K194 VanDerWaalsContact O-CB 3.27Å; A190-K194 WeakPolarHBondContact O-CB 3.49Å; A190-K194 PolarHBondContact O-N 3Å; A190-L227 HydrophobicContact CB-CB 4.42Å; A190-L227 HydrophobicContact CB-CD2 4.4Å
191	E	97.1	Very high	87.4	Confident	110 Å²	110	62.3 Å²	62.3	51%	0.514	34%	0.337	S	S	.	.	H	α-helix	trans	-68	-42.5	178.3	-64.2	-53.6	135.2	0	0	112.5	K189 H193 K194 E195	K189-E191 VanDerWaalsContact C-N 3.29Å; K189-E191 PolarHBondContact O-N 3.27Å; K189-E191 VanDerWaalsContact O-N 3.14Å; E191-H193 PolarHBondContact O-N 3.4Å; E191-K194 PolarHBondContact O-N 3Å; E191-K194 IonicContact OE1-NZ 3.49Å; E191-K194 PolarHBondContact OE1-NZ 2.8Å; E191-K194 IonicContact OE2-NZ 3.6Å; E191-K194 PolarHBondContact OE2-NZ 2.81Å; E191-E195 WeakPolarHBondContact O-CG 3.47Å; E191-E195 PolarHBondContact O-N 2.97Å
192	E	97.8	Very high	90	Very high	89 Å²	89	63.7 Å²	63.7	42%	0.416	33%	0.327	S	S	.	.	H	α-helix	trans	-61.4	-46	174.9	-177.6	-176.4	161.8	0	0	110.7	K189 K194 E195 A196	K189-E192 HydrophobicContact CB-CB 4.35Å; K189-E192 PolarHBondContact O-N 3.25Å; E192-K194 PolarHBondContact O-N 2.79Å; E192-E195 PolarHBondContact O-N 2.67Å; E192-A196 WeakPolarHBondContact O-CB 3.21Å; E192-A196 PolarHBondContact O-N 2.88Å
193	H	98.1	Very high	92.6	Very high	4 Å²	4	63.7 Å²	63.7	2%	0.019	31%	0.313	C	S	.	.	H	α-helix	trans	-65.7	-36	177.9	-67.1	152.1	0	0	0	112.6	L126 E127 D187 K189 E191 F197	L126-H193 HydrophobicContact CD1-CB 4.44Å; E127-H193 WeakPolarHBondContact CG-NE2 3.46Å; E127-H193 IonicContact OE1-NE2 3.02Å; E127-H193 PolarHBondContact OE1-NE2 2.94Å; D187-H193 IonicContact OD1-CE1 3.18Å; D187-H193 IonicContact OD1-ND1 3.82Å; D187-H193 PolarHBondContact OD1-ND1 3.29Å; D187-H193 IonicContact OD2-CE1 2.7Å; D187-H193 IonicContact OD2-CG 3.68Å; D187-H193 IonicContact OD2-ND1 3.62Å; D187-H193 PolarHBondContact OD2-ND1 3.29Å; K189-H193 PolarHBondContact O-N 3.06Å; E191-H193 PolarHBondContact O-N 3.4Å; H193-F197 WeakPolarHBondContact O-CB 3.34Å; H193-F197 PolarHBondContact O-N 3.3Å
194	K	98.6	Very high	94.8	Very high	30 Å²	30	56 Å²	56	13%	0.13	27%	0.272	C	S	.	.	H	α-helix	trans	-63.5	-47	173.9	-176.5	-169.4	-56.4	160.7	0	111.7	A190 E191 E192 T198 S226 L227 D230	A190-K194 VanDerWaalsContact O-CB 3.27Å; A190-K194 WeakPolarHBondContact O-CB 3.49Å; A190-K194 PolarHBondContact O-N 3Å; E191-K194 PolarHBondContact O-N 3Å; E191-K194 IonicContact OE1-NZ 3.49Å; E191-K194 PolarHBondContact OE1-NZ 2.8Å; E191-K194 IonicContact OE2-NZ 3.6Å; E191-K194 PolarHBondContact OE2-NZ 2.81Å; E192-K194 PolarHBondContact O-N 2.79Å; K194-T198 WeakPolarHBondContact O-CB 3.4Å; K194-T198 PolarHBondContact O-N 2.92Å; K194-T198 PolarHBondContact O-OG1 2.88Å; K194-S226 VanDerWaalsContact CE-O 3.28Å; K194-S226 WeakPolarHBondContact CE-O 3.46Å; K194-S226 PolarHBondContact NZ-O 2.84Å; K194-S226 VanDerWaalsContact NZ-O 3.17Å; K194-L227 VanDerWaalsContact CE-C 3.42Å; K194-L227 WeakPolarHBondContact CE-O 3.11Å; K194-D230 HydrophobicContact CD-CB 4.46Å; K194-D230 HydrophobicContact CG-CB 4.39Å
195	E	98.5	Very high	96.3	Very high	143 Å²	143	51 Å²	51	67%	0.668	25%	0.248	S	C	*	.	H	α-helix	trans	-64	-45.2	176.7	-72.4	-175.8	179.7	0	0	111.5	E191 E192 T198 A199	E191-E195 WeakPolarHBondContact O-CG 3.47Å; E191-E195 PolarHBondContact O-N 2.97Å; E192-E195 PolarHBondContact O-N 2.67Å; E195-T198 WeakPolarHBondContact O-CB 3.37Å; E195-T198 PolarHBondContact O-N 3.19Å; E195-A199 PolarHBondContact O-N 3.19Å
196	A	98.6	Very high	97.1	Very high	13 Å²	13	49.7 Å²	49.7	11%	0.107	24%	0.238	C	C	.	.	H	α-helix	trans	-66.5	-38.5	179.2	0	0	0	0	0	112.7	L126 E192 T198 A199 L200	L126-A196 HydrophobicContact CB-CB 3.81Å; L126-A196 WeakPolarHBondContact O-CB 3.34Å; E192-A196 WeakPolarHBondContact O-CB 3.21Å; E192-A196 PolarHBondContact O-N 2.88Å; A196-T198 VanDerWaalsContact C-N 3.34Å; A196-A199 WeakPolarHBondContact O-CB 3.4Å; A196-A199 PolarHBondContact O-N 3.41Å; A196-L200 PolarHBondContact O-N 3.31Å
197	F	98.8	Very high	97.6	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-66	-39.2	173.6	-174.1	-102.7	0	0	0	111.6	L126 L153 W155 F157 H193 A199 L200 V201 L217 F229	L126-F197 HydrophobicContact CD1-CB 3.98Å; L126-F197 HydrophobicContact CD1-CD2 4.29Å; L126-F197 HydrophobicContact CD2-CB 4.19Å; L126-F197 HydrophobicContact CD2-CD2 4.17Å; L153-F197 HydrophobicContact CD1-CZ 4.36Å; W155-F197 HydrophobicContact CB-CE2 3.82Å; W155-F197 HydrophobicContact CB-CZ 4.29Å; W155-F197 HydrophobicContact CD2-CD2 4.11Å; W155-F197 AromaticContact CD2-CE2 3.66Å; W155-F197 HydrophobicContact CD2-CE2 3.66Å; W155-F197 HydrophobicContact CE3-CE2 4.06Å; W155-F197 HydrophobicContact CG-CD2 4.04Å; W155-F197 AromaticContact CG-CE2 3.55Å; W155-F197 HydrophobicContact CG-CE2 3.55Å; W155-F197 HydrophobicContact CG-CZ 4.47Å; F157-F197 HydrophobicContact CE2-CD1 4.39Å; F157-F197 HydrophobicContact CE2-CD2 4.01Å; F157-F197 HydrophobicContact CE2-CE2 4.14Å; F157-F197 HydrophobicContact CE2-CG 4.15Å; F157-F197 HydrophobicContact CE2-CZ 4.38Å; F157-F197 HydrophobicContact CZ-CB 3.89Å; F157-F197 HydrophobicContact CZ-CD1 4.22Å; F157-F197 AromaticContact CZ-CD2 3.59Å; F157-F197 HydrophobicContact CZ-CD2 3.59Å; F157-F197 HydrophobicContact CZ-CE2 4.17Å; F157-F197 AromaticContact CZ-CG 3.62Å; F157-F197 HydrophobicContact CZ-CG 3.62Å; H193-F197 WeakPolarHBondContact O-CB 3.34Å; H193-F197 PolarHBondContact O-N 3.3Å; F197-A199 VanDerWaalsContact C-N 3.3Å; F197-A199 PolarHBondContact O-N 3.31Å; F197-L200 HydrophobicContact CD2-CD2 4.3Å; F197-L200 HydrophobicContact CE2-CD2 4.46Å; F197-L200 WeakPolarHBondContact O-CB 3.22Å; F197-L200 PolarHBondContact O-N 3.35Å; F197-V201 HydrophobicContact CD1-CG2 4.04Å; F197-V201 HydrophobicContact CE1-CG2 3.55Å; F197-V201 HydrophobicContact CE2-CG2 4.32Å; F197-V201 HydrophobicContact CZ-CG2 3.72Å; F197-V201 WeakPolarHBondContact O-CG2 3.41Å; F197-V201 PolarHBondContact O-N 3.41Å; F197-L217 HydrophobicContact CE1-CD1 4.25Å; F197-L217 HydrophobicContact CZ-CD1 3.83Å; F197-F229 AromaticContact CD1-CD1 3.81Å; F197-F229 HydrophobicContact CD1-CD1 3.81Å; F197-F229 AromaticContact CD1-CE1 3.94Å; F197-F229 HydrophobicContact CD1-CE1 3.94Å; F197-F229 AromaticContact CE1-CD1 3.57Å; F197-F229 HydrophobicContact CE1-CD1 3.57Å; F197-F229 AromaticContact CE1-CE1 3.43Å; F197-F229 HydrophobicContact CE1-CE1 3.43Å; F197-F229 VanDerWaalsContact CE1-CE1 3.43Å; F197-F229 AromaticContact CZ-CE1 3.98Å; F197-F229 HydrophobicContact CZ-CE1 3.98Å
198	T	98.8	Very high	97.9	Very high	17 Å²	17	48.2 Å²	48.2	10%	0.104	23%	0.233	C	C	.	.	H	α-helix	trans	-59.6	-42.8	173.2	-60.7	0	0	0	0	111.3	K194 E195 A196 R202 A233 I234	K194-T198 WeakPolarHBondContact O-CB 3.4Å; K194-T198 PolarHBondContact O-N 2.92Å; K194-T198 PolarHBondContact O-OG1 2.88Å; E195-T198 WeakPolarHBondContact O-CB 3.37Å; E195-T198 PolarHBondContact O-N 3.19Å; A196-T198 VanDerWaalsContact C-N 3.34Å; T198-R202 PolarHBondContact O-N 2.93Å; T198-A233 HydrophobicContact CG2-CB 3.51Å; T198-I234 HydrophobicContact CG2-CG2 3.94Å
199	A	98.8	Very high	98.2	Very high	13 Å²	13	45.5 Å²	45.5	11%	0.107	22%	0.215	C	C	.	.	H	α-helix	trans	-62.8	-45.9	173.4	0	0	0	0	0	111.9	E195 A196 F197 V201 R202 E203	E195-A199 PolarHBondContact O-N 3.19Å; A196-A199 WeakPolarHBondContact O-CB 3.4Å; A196-A199 PolarHBondContact O-N 3.41Å; F197-A199 VanDerWaalsContact C-N 3.3Å; F197-A199 PolarHBondContact O-N 3.31Å; A199-V201 PolarHBondContact O-N 3.05Å; A199-R202 PolarHBondContact O-N 2.71Å; A199-E203 WeakPolarHBondContact O-CB 3.32Å; A199-E203 WeakPolarHBondContact O-CG 3.45Å; A199-E203 PolarHBondContact O-N 3.17Å
200	L	98.9	Very high	98.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-56.7	-49.4	177.5	177.6	64.3	0	0	0	111.9	L125 L126 R132 F135 I136 W155 A196 F197 R202 E203 L204	L125-L200 HydrophobicContact CD2-CD2 4.47Å; L126-L200 HydrophobicContact CD2-CB 4Å; L126-L200 HydrophobicContact CD2-CD2 3.68Å; L126-L200 HydrophobicContact CD2-CG 4.45Å; R132-L200 HydrophobicContact CB-CD1 4.21Å; R132-L200 HydrophobicContact CG-CD1 4.21Å; F135-L200 HydrophobicContact CD1-CD1 3.92Å; F135-L200 HydrophobicContact CE1-CD1 4.28Å; I136-L200 HydrophobicContact CD1-CD1 4.37Å; I136-L200 HydrophobicContact CG1-CD1 4.16Å; W155-L200 HydrophobicContact CE3-CD2 4.26Å; W155-L200 HydrophobicContact CH2-CD2 3.32Å; W155-L200 HydrophobicContact CZ2-CD2 3.69Å; W155-L200 HydrophobicContact CZ3-CD2 3.63Å; A196-L200 PolarHBondContact O-N 3.31Å; F197-L200 HydrophobicContact CD2-CD2 4.3Å; F197-L200 HydrophobicContact CE2-CD2 4.46Å; F197-L200 WeakPolarHBondContact O-CB 3.22Å; F197-L200 PolarHBondContact O-N 3.35Å; L200-R202 VanDerWaalsContact C-N 3.31Å; L200-R202 PolarHBondContact O-N 2.93Å; L200-E203 PolarHBondContact O-N 2.98Å; L200-L204 HydrophobicContact CD1-CD1 3.91Å; L200-L204 HydrophobicContact CD1-CG 4.01Å; L200-L204 HydrophobicContact CD2-CD1 4.43Å; L200-L204 HydrophobicContact CG-CD1 3.81Å; L200-L204 HydrophobicContact CG-CG 4.35Å; L200-L204 WeakPolarHBondContact O-CB 3.45Å; L200-L204 WeakPolarHBondContact O-CG 3.48Å; L200-L204 PolarHBondContact O-N 3.45Å
201	V	98.9	Very high	98.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-60.3	-42.7	-179.8	171.1	0	0	0	0	111.1	L153 F197 A199 K205 L215 I234 N237 L238	L153-V201 HydrophobicContact CD1-CG2 4.11Å; F197-V201 HydrophobicContact CD1-CG2 4.04Å; F197-V201 HydrophobicContact CE1-CG2 3.55Å; F197-V201 HydrophobicContact CE2-CG2 4.32Å; F197-V201 HydrophobicContact CZ-CG2 3.72Å; F197-V201 WeakPolarHBondContact O-CG2 3.41Å; F197-V201 PolarHBondContact O-N 3.41Å; A199-V201 PolarHBondContact O-N 3.05Å; V201-K205 WeakPolarHBondContact O-CB 3.42Å; V201-K205 PolarHBondContact O-N 3.41Å; V201-L215 HydrophobicContact CG1-CD2 4.15Å; V201-I234 HydrophobicContact CB-CG2 4.3Å; V201-I234 HydrophobicContact CG1-CB 4.15Å; V201-I234 HydrophobicContact CG1-CG2 4.41Å; V201-I234 HydrophobicContact CG2-CG2 4.48Å; V201-N237 HydrophobicContact CG1-CB 3.84Å; V201-L238 HydrophobicContact CG1-CD2 3.8Å; V201-L238 HydrophobicContact CG1-CG 4.07Å
202	R	98.8	Very high	98.6	Very high	124 Å²	124	46.9 Å²	46.9	47%	0.468	25%	0.249	S	C	.	.	H	α-helix	trans	-63.6	-47	175.9	179.4	-179.7	63	-147.5	-3.3	111.7	T198 A199 L200 K205 N206	T198-R202 PolarHBondContact O-N 2.93Å; A199-R202 PolarHBondContact O-N 2.71Å; L200-R202 VanDerWaalsContact C-N 3.31Å; L200-R202 PolarHBondContact O-N 2.93Å; R202-K205 PolarHBondContact O-N 3.42Å; R202-N206 WeakPolarHBondContact O-CB 3.26Å; R202-N206 PolarHBondContact O-N 2.97Å; R202-N206 PolarHBondContact O-ND2 2.89Å; R202-N206 PolarHBondContact O-OD1 3.48Å
203	E	98.8	Very high	98.6	Very high	53 Å²	53	44 Å²	44	25%	0.248	24%	0.235	C	C	.	.	H	α-helix	trans	-64.6	-43.6	-179.1	-70.4	162.5	-170.7	0	0	111.8	R132 I136 A199 L200 N206 A207	R132-E203 IonicContact CZ-OE1 3.43Å; R132-E203 IonicContact CZ-OE2 3.59Å; R132-E203 IonicContact NE-OE1 2.68Å; R132-E203 IonicContact NE-OE2 3.47Å; R132-E203 PolarHBondContact NE-OE2 2.95Å; R132-E203 IonicContact NH2-OE1 2.7Å; R132-E203 PolarHBondContact NH2-OE1 3.18Å; R132-E203 IonicContact NH2-OE2 2.66Å; R132-E203 PolarHBondContact NH2-OE2 3.25Å; I136-E203 HydrophobicContact CD1-CB 3.6Å; A199-E203 WeakPolarHBondContact O-CB 3.32Å; A199-E203 WeakPolarHBondContact O-CG 3.45Å; A199-E203 PolarHBondContact O-N 3.17Å; L200-E203 PolarHBondContact O-N 2.98Å; E203-N206 WeakPolarHBondContact O-CB 3.49Å; E203-N206 PolarHBondContact O-N 2.87Å; E203-A207 PolarHBondContact O-N 2.89Å
204	L	98.7	Very high	98.6	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-59	-50.8	172.7	-78.2	167.7	0	0	0	111.5	F135 I136 A139 L153 L200 N206 A207 F208 L215	F135-L204 HydrophobicContact CD1-CD2 4.2Å; F135-L204 HydrophobicContact CE1-CD1 4Å; F135-L204 HydrophobicContact CE1-CD2 4.01Å; F135-L204 HydrophobicContact CE1-CG 4.5Å; I136-L204 HydrophobicContact CB-CD2 4.14Å; I136-L204 HydrophobicContact CG1-CD2 3.68Å; I136-L204 HydrophobicContact CG1-CG 3.96Å; I136-L204 HydrophobicContact CG2-CD2 4.25Å; A139-L204 HydrophobicContact CB-CD2 4.33Å; L153-L204 HydrophobicContact CD1-CD1 3.86Å; L153-L204 HydrophobicContact CD2-CD1 4.03Å; L200-L204 HydrophobicContact CD1-CD1 3.91Å; L200-L204 HydrophobicContact CD1-CG 4.01Å; L200-L204 HydrophobicContact CD2-CD1 4.43Å; L200-L204 HydrophobicContact CG-CD1 3.81Å; L200-L204 HydrophobicContact CG-CG 4.35Å; L200-L204 WeakPolarHBondContact O-CB 3.45Å; L200-L204 WeakPolarHBondContact O-CG 3.48Å; L200-L204 PolarHBondContact O-N 3.45Å; L204-N206 VanDerWaalsContact C-N 3.28Å; L204-N206 PolarHBondContact O-N 2.91Å; L204-A207 PolarHBondContact O-N 3.42Å; L204-A207 VanDerWaalsContact O-N 3.13Å; L204-F208 WeakPolarHBondContact O-CB 3.29Å; L204-F208 WeakPolarHBondContact O-CD1 3.41Å; L204-F208 PolarHBondContact O-N 2.83Å; L204-L215 HydrophobicContact CB-CD1 4.5Å; L204-L215 HydrophobicContact CB-CD2 4.09Å
205	K	98.8	Very high	98.7	Very high	25 Å²	25	43.6 Å²	43.6	11%	0.109	23%	0.234	C	C	.	.	H	α-helix	trans	-62.4	-38.7	179.7	-170.6	60.3	170.4	-175	0	111.3	V201 R202 A207 F208 R209 Y213 L215 N237 D239	V201-K205 WeakPolarHBondContact O-CB 3.42Å; V201-K205 PolarHBondContact O-N 3.41Å; R202-K205 PolarHBondContact O-N 3.42Å; K205-A207 VanDerWaalsContact C-N 3.34Å; K205-A207 PolarHBondContact O-N 3.3Å; K205-F208 PolarHBondContact O-N 2.98Å; K205-R209 HydrophobicContact CG-CG 4.46Å; K205-R209 WeakPolarHBondContact O-CG 3.33Å; K205-R209 PolarHBondContact O-N 3.01Å; K205-Y213 PolarHBondContact NZ-O 2.85Å; K205-Y213 VanDerWaalsContact NZ-O 3.1Å; K205-L215 HydrophobicContact CB-CD2 3.93Å; K205-L215 HydrophobicContact CD-CB 4.13Å; K205-N237 HydrophobicContact CB-CB 3.89Å; K205-N237 VanDerWaalsContact CD-O 3.26Å; K205-N237 WeakPolarHBondContact CD-O 3.47Å; K205-N237 HydrophobicContact CG-CB 4.16Å; K205-N237 VanDerWaalsContact CG-O 3.28Å; K205-N237 WeakPolarHBondContact CG-O 3.45Å; K205-D239 IonicContact NZ-OD1 3.63Å; K205-D239 PolarHBondContact NZ-OD1 2.8Å; K205-D239 IonicContact NZ-OD2 2.62Å; K205-D239 PolarHBondContact NZ-OD2 3.11Å
206	N	98.7	Very high	98.7	Very high	77 Å²	77	36.8 Å²	36.8	41%	0.412	20%	0.202	S	C	.	.	H	α-helix	trans	-57.7	-45.9	174.2	-68.7	-9.9	0	0	0	111.7	R202 E203 L204 F208 R209 P210	R202-N206 WeakPolarHBondContact O-CB 3.26Å; R202-N206 PolarHBondContact O-N 2.97Å; R202-N206 PolarHBondContact O-ND2 2.89Å; R202-N206 PolarHBondContact O-OD1 3.48Å; E203-N206 WeakPolarHBondContact O-CB 3.49Å; E203-N206 PolarHBondContact O-N 2.87Å; L204-N206 VanDerWaalsContact C-N 3.28Å; L204-N206 PolarHBondContact O-N 2.91Å; N206-F208 VanDerWaalsContact C-N 3.27Å; N206-F208 PolarHBondContact O-N 3.41Å; N206-R209 PolarHBondContact OD1-NH1 3.24Å; N206-P210 WeakPolarHBondContact O-CD 3.47Å
207	A	98.6	Very high	98.7	Very high	32 Å²	32	36.1 Å²	36.1	26%	0.264	20%	0.197	S	C	.	.	H	α-helix	trans	-66.8	-28.5	177.5	0	0	0	0	0	113	I136 H140 E203 L204 K205	I136-A207 HydrophobicContact CG2-CB 3.52Å; H140-A207 PolarHBondContact CD2-O 3.33Å; E203-A207 PolarHBondContact O-N 2.89Å; L204-A207 PolarHBondContact O-N 3.42Å; L204-A207 VanDerWaalsContact O-N 3.13Å; K205-A207 VanDerWaalsContact C-N 3.34Å; K205-A207 PolarHBondContact O-N 3.3Å
208	F	98.7	Very high	98.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-87	-23.3	-176.7	-84.7	31.5	0	0	0	113.7	A139 H140 V143 L151 L204 K205 N206 D211 G212 Y213	A139-F208 HydrophobicContact CB-CZ 4.42Å; H140-F208 HydrophobicContact CB-CD1 4.47Å; H140-F208 HydrophobicContact CB-CE1 3.97Å; V143-F208 HydrophobicContact CG2-CE2 4.43Å; V143-F208 HydrophobicContact CG2-CZ 4.13Å; L151-F208 HydrophobicContact CB-CE2 3.56Å; L151-F208 HydrophobicContact CB-CZ 3.86Å; L151-F208 HydrophobicContact CD2-CZ 4.41Å; L204-F208 WeakPolarHBondContact O-CB 3.29Å; L204-F208 WeakPolarHBondContact O-CD1 3.41Å; L204-F208 PolarHBondContact O-N 2.83Å; K205-F208 PolarHBondContact O-N 2.98Å; N206-F208 VanDerWaalsContact C-N 3.27Å; N206-F208 PolarHBondContact O-N 3.41Å; F208-D211 PolarHBondContact O-N 3.38Å; F208-G212 PolarHBondContact O-N 3Å; F208-G212 VanDerWaalsContact O-N 3.14Å; F208-Y213 HydrophobicContact CB-CD2 4.49Å; F208-Y213 HydrophobicContact CD1-CD2 4.41Å; F208-Y213 HydrophobicContact CD2-CD2 4.36Å; F208-Y213 HydrophobicContact CD2-CG 4.31Å; F208-Y213 HydrophobicContact CG-CD2 4.18Å; F208-Y213 HydrophobicContact CG-CG 4.49Å; F208-Y213 PolarHBondContact O-N 2.91Å; F208-Y213 VanDerWaalsContact O-N 3.09Å
209	R	98.4	Very high	98.7	Very high	127 Å²	127	35.7 Å²	35.7	48%	0.479	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-56.4	-43.9	-178	-85.6	-179.6	-165.4	121.3	13.2	114.8	K205 N206 D211 G212 N237	K205-R209 HydrophobicContact CG-CG 4.46Å; K205-R209 WeakPolarHBondContact O-CG 3.33Å; K205-R209 PolarHBondContact O-N 3.01Å; N206-R209 PolarHBondContact OD1-NH1 3.24Å; R209-D211 VanDerWaalsContact C-N 3.29Å; R209-D211 PolarHBondContact O-N 2.84Å; R209-G212 PolarHBondContact O-N 2.82Å; R209-G212 VanDerWaalsContact O-N 3.09Å; R209-N237 PolarHBondContact NH2-OD1 3.38Å
210	P	98.2	Very high	98.7	Very high	110 Å²	110	35.3 Å²	35.3	71%	0.714	19%	0.19	S	C	*	.	G	3₁₀ helix	trans	-60.3	-35.6	-176.8	-26.6	36.3	0	0	0	114.2	N206	N206-P210 WeakPolarHBondContact O-CD 3.47Å
211	D	98.2	Very high	98.6	Very high	66 Å²	66	35.5 Å²	35.5	35%	0.353	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-95.3	-0.7	177.9	-56.6	-95.2	0	0	0	112.5	H140 K144 F208 R209 Y213	H140-D211 IonicContact CD2-OD2 2.82Å; H140-D211 IonicContact CE1-OD2 2.69Å; H140-D211 PolarHBondContact CE1-OD2 2.91Å; H140-D211 IonicContact NE2-OD2 2.77Å; H140-D211 PolarHBondContact NE2-OD2 2.57Å; K144-D211 IonicContact NZ-OD1 2.81Å; K144-D211 PolarHBondContact NZ-OD1 3.03Å; F208-D211 PolarHBondContact O-N 3.38Å; R209-D211 VanDerWaalsContact C-N 3.29Å; R209-D211 PolarHBondContact O-N 2.84Å; D211-Y213 HydrophobicContact CB-CD2 3.82Å; D211-Y213 HydrophobicContact CB-CE1 4.24Å; D211-Y213 HydrophobicContact CB-CE2 3.42Å; D211-Y213 VanDerWaalsContact CB-CE2 3.42Å; D211-Y213 HydrophobicContact CB-CG 4.36Å
212	G	98.2	Very high	98.5	Very high	61 Å²	61	36 Å²	36	63%	0.629	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.3	25.5	177.9	0	0	0	0	0	115	F208 R209	F208-G212 PolarHBondContact O-N 3Å; F208-G212 VanDerWaalsContact O-N 3.14Å; R209-G212 PolarHBondContact O-N 2.82Å; R209-G212 VanDerWaalsContact O-N 3.09Å
213	Y	98.8	Very high	98.3	Very high	30 Å²	30	30.3 Å²	30.3	12%	0.118	17%	0.173	C	C	.	.			trans	-72	145.6	-177.1	-64.4	-47.9	0	0	0	113.5	H140 V143 K144 D149 K205 F208 D211	H140-Y213 AromaticContact CD2-CE2 3.96Å; H140-Y213 AromaticContact NE2-CE2 3.81Å; V143-Y213 HydrophobicContact CG1-CD1 3.64Å; V143-Y213 HydrophobicContact CG1-CD2 3.93Å; V143-Y213 HydrophobicContact CG1-CE1 3.64Å; V143-Y213 HydrophobicContact CG1-CE2 3.94Å; V143-Y213 HydrophobicContact CG1-CG 3.81Å; K144-Y213 WeakPolarHBondContact CA-OH 3.44Å; K144-Y213 VanDerWaalsContact CB-OH 3.3Å; K144-Y213 WeakPolarHBondContact CB-OH 3.25Å; K144-Y213 WeakPolarHBondContact CG-OH 3.3Å; D149-Y213 WeakPolarHBondContact O-CA 3.44Å; K205-Y213 PolarHBondContact NZ-O 2.85Å; K205-Y213 VanDerWaalsContact NZ-O 3.1Å; F208-Y213 HydrophobicContact CB-CD2 4.49Å; F208-Y213 HydrophobicContact CD1-CD2 4.41Å; F208-Y213 HydrophobicContact CD2-CD2 4.36Å; F208-Y213 HydrophobicContact CD2-CG 4.31Å; F208-Y213 HydrophobicContact CG-CD2 4.18Å; F208-Y213 HydrophobicContact CG-CG 4.49Å; F208-Y213 PolarHBondContact O-N 2.91Å; F208-Y213 VanDerWaalsContact O-N 3.09Å; D211-Y213 HydrophobicContact CB-CD2 3.82Å; D211-Y213 HydrophobicContact CB-CE1 4.24Å; D211-Y213 HydrophobicContact CB-CE2 3.42Å; D211-Y213 VanDerWaalsContact CB-CE2 3.42Å; D211-Y213 HydrophobicContact CB-CG 4.36Å
214	I	98.8	Very high	98.2	Very high	24 Å²	24	29.1 Å²	29.1	12%	0.123	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	139.9	174.6	-57.2	172.9	0	0	0	109.2	K103 L105 D149 G150 L151 D239 Y240	K103-I214 HydrophobicContact CB-CD1 4.04Å; K103-I214 HydrophobicContact CD-CD1 4.36Å; K103-I214 HydrophobicContact CG-CD1 3.94Å; L105-I214 HydrophobicContact CD2-CB 4.01Å; L105-I214 HydrophobicContact CD2-CG2 3.73Å; D149-I214 HydrophobicContact CB-CD1 4.35Å; D149-I214 PolarHBondContact O-N 3.25Å; G150-I214 CarbonylContact C-O 3.56Å; G150-I214 WeakPolarHBondContact CA-O 3.34Å; L151-I214 PolarHBondContact N-O 3.5Å; I214-D239 WeakPolarHBondContact CA-OD2 3.24Å; I214-D239 HydrophobicContact CG2-CB 3.75Å; I214-Y240 HydrophobicContact CG2-CD1 4.41Å; I214-Y240 HydrophobicContact CG2-CE1 4.03Å
215	L	98.9	Very high	98.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	109.8	169.4	-173.7	64.3	0	0	0	109.5	L151 L153 V201 L204 K205 L238 D239	L151-L215 HydrophobicContact CB-CD1 4.34Å; L151-L215 WeakPolarHBondContact O-CA 3.47Å; L153-L215 HydrophobicContact CD1-CD1 4.05Å; L153-L215 HydrophobicContact CG-CD1 4.09Å; V201-L215 HydrophobicContact CG1-CD2 4.15Å; L204-L215 HydrophobicContact CB-CD1 4.5Å; L204-L215 HydrophobicContact CB-CD2 4.09Å; K205-L215 HydrophobicContact CB-CD2 3.93Å; K205-L215 HydrophobicContact CD-CB 4.13Å; L215-L238 HydrophobicContact CD2-CD2 4.07Å; L215-L238 HydrophobicContact CG-CD2 3.92Å; L215-L238 WeakPolarHBondContact O-CA 3.3Å; L215-D239 PolarHBondContact N-OD2 3.34Å; L215-D239 PolarHBondContact O-N 3.31Å
216	G	98.9	Very high	98	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	154.7	173.9	0	0	0	0	0	112.2	L151 L153 Y240	L151-G216 PolarHBondContact O-N 3.26Å; L153-G216 PolarHBondContact N-O 3.2Å; G216-Y240 VanDerWaalsContact CA-CZ 3.5Å
217	L	98.9	Very high	97.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	131.2	168.9	174.2	62.9	0	0	0	109.4	L153 F197 V219 F229 I234 L238 Y240 V241 N242 W283	L153-L217 HydrophobicContact CB-CD1 4.14Å; L153-L217 WeakPolarHBondContact O-CD1 3.35Å; F197-L217 HydrophobicContact CE1-CD1 4.25Å; F197-L217 HydrophobicContact CZ-CD1 3.83Å; L217-V219 HydrophobicContact CD2-CG2 4.28Å; L217-V219 HydrophobicContact CG-CG2 4.27Å; L217-F229 HydrophobicContact CD1-CE1 4.13Å; L217-F229 HydrophobicContact CD2-CD1 4.17Å; L217-F229 HydrophobicContact CD2-CE1 4.04Å; L217-I234 HydrophobicContact CD2-CD1 3.98Å; L217-L238 HydrophobicContact CB-CD1 3.71Å; L217-L238 HydrophobicContact CB-CD2 3.98Å; L217-L238 HydrophobicContact CB-CG 4.46Å; L217-L238 HydrophobicContact CD2-CD1 3.75Å; L217-L238 HydrophobicContact CG-CD1 4.4Å; L217-Y240 PolarHBondContact N-O 3Å; L217-V241 HydrophobicContact CB-CG2 4.45Å; L217-V241 HydrophobicContact CD2-CG1 4.38Å; L217-V241 HydrophobicContact CG-CG1 4.46Å; L217-V241 CarbonylContact O-C 3.48Å; L217-V241 WeakPolarHBondContact O-CA 3.03Å; L217-N242 PolarHBondContact O-N 3.2Å; L217-W283 HydrophobicContact CD2-CH2 3.6Å; L217-W283 HydrophobicContact CD2-CZ2 4.4Å; L217-W283 HydrophobicContact CD2-CZ3 4.39Å
218	S	98.9	Very high	97.8	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.014	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	105.6	171.4	-68.4	0	0	0	0	110.1	Y30 D152 L153 L220 N242	Y30-S218 PolarHBondContact OH-OG 2.62Å; D152-S218 VanDerWaalsContact CG-OG 3.28Å; D152-S218 PolarHBondContact OD1-OG 3.09Å; D152-S218 PolarHBondContact OD2-OG 2.91Å; L153-S218 PolarHBondContact O-N 2.92Å; S218-L220 PolarHBondContact O-N 2.79Å; S218-N242 CarbonylContact C-O 3.59Å; S218-N242 WeakPolarHBondContact CA-O 3.47Å
219	V	98.8	Very high	97.8	Very high	6 Å²	6	28 Å²	28	4%	0.036	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	104.7	176.1	-178.2	0	0	0	0	107.7	L217 F229 V241 N242 L243 H244 W283	L217-V219 HydrophobicContact CD2-CG2 4.28Å; L217-V219 HydrophobicContact CG-CG2 4.27Å; V219-F229 HydrophobicContact CG1-CE2 3.94Å; V219-F229 HydrophobicContact CG2-CE2 4.06Å; V219-F229 HydrophobicContact CG2-CZ 4.36Å; V219-V241 HydrophobicContact CG2-CG1 3.9Å; V219-N242 PolarHBondContact N-O 3.02Å; V219-L243 HydrophobicContact CB-CD2 3.98Å; V219-L243 HydrophobicContact CG2-CD2 3.77Å; V219-H244 VanDerWaalsContact O-CB 3.24Å; V219-H244 WeakPolarHBondContact O-CB 3.42Å; V219-H244 PolarHBondContact O-N 3.35Å; V219-W283 HydrophobicContact CG2-CH2 4.02Å; V219-W283 HydrophobicContact CG2-CZ2 3.33Å
220	L	98.4	Very high	97.8	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.021	16%	0.158	C	C	.	.			trans	-66.1	155.3	-176	-55.3	-177	0	0	0	112.2	Q156 S218 N222 V223	Q156-L220 HydrophobicContact CB-CD1 4.41Å; Q156-L220 HydrophobicContact CG-CD1 3.74Å; S218-L220 PolarHBondContact O-N 2.79Å; L220-N222 PolarHBondContact O-N 2.98Å; L220-V223 HydrophobicContact CB-CG2 3.91Å; L220-V223 WeakPolarHBondContact O-CB 3.23Å; L220-V223 PolarHBondContact O-N 3.13Å
221	P	97.5	Very high	97.9	Very high	5 Å²	5	20 Å²	20	3%	0.032	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	134.5	177	-31	39.8	0	0	0	113	K159 V223 H244 Y246 D247	K159-P221 WeakPolarHBondContact CD-O 3.37Å; K159-P221 WeakPolarHBondContact CE-O 3.42Å; P221-V223 PolarHBondContact O-N 2.84Å; P221-V223 VanDerWaalsContact O-N 3.15Å; P221-H244 HydrophobicContact CG-CB 3.88Å; P221-Y246 VanDerWaalsContact CB-O 3.28Å; P221-Y246 WeakPolarHBondContact CB-O 3.36Å; P221-Y246 HydrophobicContact CG-CD2 3.91Å; P221-Y246 HydrophobicContact CG-CE2 3.64Å; P221-D247 HydrophobicContact CB-CB 3.9Å; P221-D247 HydrophobicContact CG-CB 4.09Å
222	N	95.7	Very high	97.9	Very high	10 Å²	10	19.6 Å²	19.6	5%	0.053	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	8.5	176.7	-50.4	-88.3	0	0	0	115.9	K159 N160 L220 D247 F248 R253	K159-N222 WeakPolarHBondContact CA-O 3.25Å; K159-N222 HydrophobicContact CB-CB 4.19Å; K159-N222 HydrophobicContact CG-CB 4.5Å; N160-N222 PolarHBondContact N-O 3.41Å; L220-N222 PolarHBondContact O-N 2.98Å; N222-D247 PolarHBondContact ND2-O 3.13Å; N222-F248 PolarHBondContact OD1-O 3.07Å; N222-R253 PolarHBondContact ND2-NE 3.24Å; N222-R253 VanDerWaalsContact OD1-CZ 3.31Å; N222-R253 PolarHBondContact OD1-NE 3.19Å; N222-R253 PolarHBondContact OD1-NH2 2.93Å
223	V	96.3	Very high	97.9	Very high	5 Å²	5	18.6 Å²	18.6	3%	0.03	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	-71.2	126.9	165.5	172.3	0	0	0	0	108.5	F157 K159 L220 P221 S225 F228 F229	F157-V223 HydrophobicContact CB-CG1 3.81Å; F157-V223 HydrophobicContact CB-CG2 4.18Å; F157-V223 HydrophobicContact CD2-CG1 4.13Å; F157-V223 HydrophobicContact CG-CG1 4.36Å; K159-V223 HydrophobicContact CG-CG2 4.27Å; L220-V223 HydrophobicContact CB-CG2 3.91Å; L220-V223 WeakPolarHBondContact O-CB 3.23Å; L220-V223 PolarHBondContact O-N 3.13Å; P221-V223 PolarHBondContact O-N 2.84Å; P221-V223 VanDerWaalsContact O-N 3.15Å; V223-S225 PolarHBondContact O-N 2.84Å; V223-F228 HydrophobicContact CG1-CD2 3.75Å; V223-F228 HydrophobicContact CG1-CE2 4.44Å; V223-F229 HydrophobicContact CG1-CE2 3.94Å; V223-F229 HydrophobicContact CG1-CZ 4.24Å
224	N	95.2	Very high	97.9	Very high	27 Å²	27	17.2 Å²	17.2	14%	0.144	11%	0.106	C	C	.	.			trans	-76.5	108.5	-178.8	-169.5	-31.9	0	0	0	110.6	S226 L227 F228	N224-S226 VanDerWaalsContact C-N 3.27Å; N224-S226 PolarHBondContact O-N 3.22Å; N224-S226 PolarHBondContact OD1-N 3.34Å; N224-S226 PolarHBondContact OD1-OG 2.95Å; N224-L227 HydrophobicContact CB-CB 4.06Å; N224-L227 HydrophobicContact CB-CD1 3.81Å; N224-L227 HydrophobicContact CB-CG 3.92Å; N224-L227 PolarHBondContact O-N 2.86Å; N224-L227 VanDerWaalsContact O-N 3.17Å; N224-L227 PolarHBondContact OD1-N 2.96Å; N224-F228 VanDerWaalsContact O-CD2 3.29Å; N224-F228 WeakPolarHBondContact O-CD2 3.25Å; N224-F228 PolarHBondContact O-N 3.4Å
225	S	97.7	Very high	97.9	Very high	4 Å²	4	16.3 Å²	16.3	3%	0.028	10%	0.101	C	C	.	.	H	α-helix	trans	-64.3	-30.6	-176.1	-66	0	0	0	0	113.5	V223 L227 F229 W283	V223-S225 PolarHBondContact O-N 2.84Å; S225-L227 VanDerWaalsContact C-N 3.33Å; S225-F229 PolarHBondContact O-N 2.98Å; S225-W283 PolarHBondContact OG-NE1 3.14Å; S225-W283 VanDerWaalsContact OG-NE1 3.14Å
226	S	95.7	Very high	97.9	Very high	56 Å²	56	22.3 Å²	22.3	39%	0.392	13%	0.133	S	C	.	.	H	α-helix	trans	-75.2	-23	178.2	68.7	0	0	0	0	114	K194 N224 Y282	K194-S226 VanDerWaalsContact CE-O 3.28Å; K194-S226 WeakPolarHBondContact CE-O 3.46Å; K194-S226 PolarHBondContact NZ-O 2.84Å; K194-S226 VanDerWaalsContact NZ-O 3.17Å; N224-S226 VanDerWaalsContact C-N 3.27Å; N224-S226 PolarHBondContact O-N 3.22Å; N224-S226 PolarHBondContact OD1-N 3.34Å; N224-S226 PolarHBondContact OD1-OG 2.95Å; S226-Y282 WeakPolarHBondContact CA-OH 3.39Å; S226-Y282 WeakPolarHBondContact CB-OH 3.2Å; S226-Y282 PolarHBondContact N-OH 3.46Å
227	L	95.9	Very high	97.9	Very high	43 Å²	43	23.2 Å²	23.2	23%	0.225	14%	0.138	C	C	.	.	H	α-helix	trans	-81.6	-32.7	175.7	-66.5	-179.1	0	0	0	112.5	V186 A190 K194 N224 S225	V186-L227 HydrophobicContact CB-CD1 3.89Å; V186-L227 HydrophobicContact CG1-CD1 4.24Å; V186-L227 HydrophobicContact CG2-CD1 4.21Å; A190-L227 HydrophobicContact CB-CB 4.42Å; A190-L227 HydrophobicContact CB-CD2 4.4Å; K194-L227 VanDerWaalsContact CE-C 3.42Å; K194-L227 WeakPolarHBondContact CE-O 3.11Å; N224-L227 HydrophobicContact CB-CB 4.06Å; N224-L227 HydrophobicContact CB-CD1 3.81Å; N224-L227 HydrophobicContact CB-CG 3.92Å; N224-L227 PolarHBondContact O-N 2.86Å; N224-L227 VanDerWaalsContact O-N 3.17Å; N224-L227 PolarHBondContact OD1-N 2.96Å; S225-L227 VanDerWaalsContact C-N 3.33Å
228	F	98	Very high	97.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-116.8	-14.6	-166.4	-62.2	-62.9	0	0	0	115.8	F157 P158 V186 D187 V223 N224	F157-F228 HydrophobicContact CB-CD1 4.29Å; F157-F228 HydrophobicContact CB-CD2 3.81Å; F157-F228 HydrophobicContact CB-CE1 4.34Å; F157-F228 HydrophobicContact CB-CE2 3.89Å; F157-F228 HydrophobicContact CB-CG 4.02Å; F157-F228 HydrophobicContact CB-CZ 4.16Å; F157-F228 HydrophobicContact CD1-CB 4.14Å; F157-F228 AromaticContact CD1-CD1 3.32Å; F157-F228 HydrophobicContact CD1-CD1 3.32Å; F157-F228 HydrophobicContact CD1-CD2 4.32Å; F157-F228 AromaticContact CD1-CE1 3.69Å; F157-F228 HydrophobicContact CD1-CE1 3.69Å; F157-F228 AromaticContact CD1-CG 3.67Å; F157-F228 HydrophobicContact CD1-CG 3.67Å; F157-F228 HydrophobicContact CD1-CZ 4.34Å; F157-F228 HydrophobicContact CD2-CB 3.93Å; F157-F228 HydrophobicContact CD2-CG 4.1Å; F157-F228 HydrophobicContact CE1-CB 4.19Å; F157-F228 AromaticContact CE1-CD1 3.67Å; F157-F228 HydrophobicContact CE1-CD1 3.67Å; F157-F228 HydrophobicContact CE1-CE1 4.34Å; F157-F228 HydrophobicContact CE1-CG 4.11Å; F157-F228 HydrophobicContact CE2-CB 3.97Å; F157-F228 HydrophobicContact CE2-CG 4.49Å; F157-F228 HydrophobicContact CG-CB 4.01Å; F157-F228 AromaticContact CG-CD1 3.83Å; F157-F228 HydrophobicContact CG-CD1 3.83Å; F157-F228 AromaticContact CG-CD2 3.99Å; F157-F228 HydrophobicContact CG-CD2 3.99Å; F157-F228 HydrophobicContact CG-CE1 4.27Å; F157-F228 HydrophobicContact CG-CE2 4.43Å; F157-F228 AromaticContact CG-CG 3.66Å; F157-F228 HydrophobicContact CG-CG 3.66Å; F157-F228 HydrophobicContact CZ-CB 4.09Å; F157-F228 HydrophobicContact CZ-CD1 4.4Å; F157-F228 HydrophobicContact CZ-CG 4.49Å; P158-F228 HydrophobicContact CB-CZ 4.33Å; P158-F228 HydrophobicContact CG-CZ 4.32Å; P158-F228 WeakPolarHBondContact O-CE2 3.44Å; V186-F228 HydrophobicContact CG1-CE2 4.18Å; V186-F228 HydrophobicContact CG1-CZ 4.12Å; D187-F228 HydrophobicContact CB-CE1 4.01Å; D187-F228 HydrophobicContact CB-CZ 3.92Å; D187-F228 VanDerWaalsContact OD2-CE1 3.31Å; D187-F228 WeakPolarHBondContact OD2-CE1 3.46Å; V223-F228 HydrophobicContact CG1-CD2 3.75Å; V223-F228 HydrophobicContact CG1-CE2 4.44Å; N224-F228 VanDerWaalsContact O-CD2 3.29Å; N224-F228 WeakPolarHBondContact O-CD2 3.25Å; N224-F228 PolarHBondContact O-N 3.4Å
229	F	98.6	Very high	97.8	Very high	7 Å²	7	26.2 Å²	26.2	3%	0.031	15%	0.154	C	C	.	.			trans	-125.8	115.8	-175.6	-52.8	-64.4	0	0	0	112.7	F157 F197 L217 V219 V223 S225 V231 I234 W283	F157-F229 HydrophobicContact CD2-CE1 4.22Å; F157-F229 AromaticContact CD2-CZ 3.92Å; F157-F229 HydrophobicContact CD2-CZ 3.92Å; F157-F229 AromaticContact CE2-CE1 3.63Å; F157-F229 HydrophobicContact CE2-CE1 3.63Å; F157-F229 AromaticContact CE2-CZ 3.82Å; F157-F229 HydrophobicContact CE2-CZ 3.82Å; F197-F229 AromaticContact CD1-CD1 3.81Å; F197-F229 HydrophobicContact CD1-CD1 3.81Å; F197-F229 AromaticContact CD1-CE1 3.94Å; F197-F229 HydrophobicContact CD1-CE1 3.94Å; F197-F229 AromaticContact CE1-CD1 3.57Å; F197-F229 HydrophobicContact CE1-CD1 3.57Å; F197-F229 AromaticContact CE1-CE1 3.43Å; F197-F229 HydrophobicContact CE1-CE1 3.43Å; F197-F229 VanDerWaalsContact CE1-CE1 3.43Å; F197-F229 AromaticContact CZ-CE1 3.98Å; F197-F229 HydrophobicContact CZ-CE1 3.98Å; L217-F229 HydrophobicContact CD1-CE1 4.13Å; L217-F229 HydrophobicContact CD2-CD1 4.17Å; L217-F229 HydrophobicContact CD2-CE1 4.04Å; V219-F229 HydrophobicContact CG1-CE2 3.94Å; V219-F229 HydrophobicContact CG2-CE2 4.06Å; V219-F229 HydrophobicContact CG2-CZ 4.36Å; V223-F229 HydrophobicContact CG1-CE2 3.94Å; V223-F229 HydrophobicContact CG1-CZ 4.24Å; S225-F229 PolarHBondContact O-N 2.98Å; F229-V231 VanDerWaalsContact C-N 3.32Å; F229-V231 HydrophobicContact CB-CG2 4.22Å; F229-V231 PolarHBondContact O-N 3.32Å; F229-V231 VanDerWaalsContact O-N 3.13Å; F229-I234 HydrophobicContact CB-CD1 3.99Å; F229-I234 HydrophobicContact CD1-CD1 4.03Å; F229-I234 HydrophobicContact CG-CD1 4.35Å; F229-W283 HydrophobicContact CB-CH2 4.22Å; F229-W283 HydrophobicContact CB-CZ2 4.26Å; F229-W283 HydrophobicContact CD2-CH2 4.29Å; F229-W283 AromaticContact CD2-CZ2 3.73Å; F229-W283 HydrophobicContact CD2-CZ2 3.73Å; F229-W283 HydrophobicContact CE2-CZ2 4.34Å; F229-W283 HydrophobicContact CG-CH2 4.15Å; F229-W283 HydrophobicContact CG-CZ2 4.04Å
230	D	98.6	Very high	97.8	Very high	70 Å²	70	26 Å²	26	37%	0.374	15%	0.152	S	C	.	.			trans	-78.5	85.5	158.5	-175.5	-19.7	0	0	0	108.6	K194 P232 A233 I234	K194-D230 HydrophobicContact CD-CB 4.46Å; K194-D230 HydrophobicContact CG-CB 4.39Å; D230-P232 VanDerWaalsContact OD1-CD 3.29Å; D230-P232 WeakPolarHBondContact OD1-CD 3.22Å; D230-A233 HydrophobicContact CB-CB 3.96Å; D230-A233 PolarHBondContact O-N 3.35Å; D230-A233 VanDerWaalsContact O-N 3.08Å; D230-A233 WeakPolarHBondContact OD1-CB 3.4Å; D230-A233 PolarHBondContact OD1-N 3.39Å; D230-A233 VanDerWaalsContact OD1-N 3.15Å; D230-A233 WeakPolarHBondContact OD2-CB 3.23Å; D230-I234 WeakPolarHBondContact O-CG1 3.37Å; D230-I234 PolarHBondContact O-N 3.24Å
231	V	98.8	Very high	97.8	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.006	15%	0.151	C	C	.	.	H	α-helix	trans	-55	-48.7	-174.5	177.6	0	0	0	0	112.1	F229 A233 I234 I235 Y282 W283 N286 A288	F229-V231 VanDerWaalsContact C-N 3.32Å; F229-V231 HydrophobicContact CB-CG2 4.22Å; F229-V231 PolarHBondContact O-N 3.32Å; F229-V231 VanDerWaalsContact O-N 3.13Å; V231-A233 VanDerWaalsContact C-N 3.28Å; V231-A233 PolarHBondContact O-N 3.45Å; V231-I234 PolarHBondContact O-N 2.92Å; V231-I235 VanDerWaalsContact O-CB 3.3Å; V231-I235 WeakPolarHBondContact O-CB 3.34Å; V231-I235 WeakPolarHBondContact O-CG2 3.33Å; V231-I235 PolarHBondContact O-N 3.14Å; V231-Y282 HydrophobicContact CG2-CE1 4.19Å; V231-W283 HydrophobicContact CB-CE3 4.39Å; V231-W283 HydrophobicContact CB-CZ3 4.39Å; V231-W283 HydrophobicContact CG1-CD2 4.47Å; V231-W283 HydrophobicContact CG1-CE3 3.68Å; V231-W283 HydrophobicContact CG1-CZ3 3.94Å; V231-W283 HydrophobicContact CG2-CD2 4.04Å; V231-W283 HydrophobicContact CG2-CE3 3.81Å; V231-W283 HydrophobicContact CG2-CH2 4.05Å; V231-W283 HydrophobicContact CG2-CZ2 4.26Å; V231-W283 HydrophobicContact CG2-CZ3 3.81Å; V231-N286 HydrophobicContact CB-CB 3.82Å; V231-N286 HydrophobicContact CG1-CB 4.14Å; V231-N286 VanDerWaalsContact CG1-O 3.29Å; V231-N286 WeakPolarHBondContact CG1-O 3.49Å; V231-N286 HydrophobicContact CG2-CB 4.19Å; V231-A288 HydrophobicContact CG1-CB 3.71Å
232	P	98.6	Very high	97.9	Very high	57 Å²	57	25.6 Å²	25.6	37%	0.37	15%	0.15	S	C	.	.	H	α-helix	trans	-56.2	-37.2	175	-27.1	35	0	0	0	114.4	D230 N286	D230-P232 VanDerWaalsContact OD1-CD 3.29Å; D230-P232 WeakPolarHBondContact OD1-CD 3.22Å; P232-N286 WeakPolarHBondContact CD-O 3.43Å; P232-N286 WeakPolarHBondContact CG-O 3.43Å
233	A	98.7	Very high	98.1	Very high	40 Å²	40	25.2 Å²	25.2	33%	0.331	15%	0.148	S	C	.	.	H	α-helix	trans	-77.6	-29.6	-178	0	0	0	0	0	113.8	T198 D230 V231 N237	T198-A233 HydrophobicContact CG2-CB 3.51Å; D230-A233 HydrophobicContact CB-CB 3.96Å; D230-A233 PolarHBondContact O-N 3.35Å; D230-A233 VanDerWaalsContact O-N 3.08Å; D230-A233 WeakPolarHBondContact OD1-CB 3.4Å; D230-A233 PolarHBondContact OD1-N 3.39Å; D230-A233 VanDerWaalsContact OD1-N 3.15Å; D230-A233 WeakPolarHBondContact OD2-CB 3.23Å; V231-A233 VanDerWaalsContact C-N 3.28Å; V231-A233 PolarHBondContact O-N 3.45Å; A233-N237 PolarHBondContact O-ND2 3.14Å
234	I	98.8	Very high	98.2	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-95.6	-30.7	-176.5	68.4	-177.9	0	0	0	114.1	T198 V201 L217 F229 D230 V231 N236 N237 L238 W283	T198-I234 HydrophobicContact CG2-CG2 3.94Å; V201-I234 HydrophobicContact CB-CG2 4.3Å; V201-I234 HydrophobicContact CG1-CB 4.15Å; V201-I234 HydrophobicContact CG1-CG2 4.41Å; V201-I234 HydrophobicContact CG2-CG2 4.48Å; L217-I234 HydrophobicContact CD2-CD1 3.98Å; F229-I234 HydrophobicContact CB-CD1 3.99Å; F229-I234 HydrophobicContact CD1-CD1 4.03Å; F229-I234 HydrophobicContact CG-CD1 4.35Å; D230-I234 WeakPolarHBondContact O-CG1 3.37Å; D230-I234 PolarHBondContact O-N 3.24Å; V231-I234 PolarHBondContact O-N 2.92Å; I234-N236 VanDerWaalsContact C-N 3.25Å; I234-N236 PolarHBondContact O-N 3.42Å; I234-N236 VanDerWaalsContact O-N 3.1Å; I234-N237 WeakPolarHBondContact O-CA 3.5Å; I234-N237 WeakPolarHBondContact O-CB 3.31Å; I234-N237 PolarHBondContact O-N 2.85Å; I234-L238 HydrophobicContact CB-CD1 4.33Å; I234-L238 HydrophobicContact CD1-CD1 4.14Å; I234-L238 HydrophobicContact CG1-CD1 4.04Å; I234-L238 PolarHBondContact O-N 3.46Å; I234-W283 HydrophobicContact CD1-CH2 4.11Å; I234-W283 HydrophobicContact CD1-CZ3 4.41Å
235	I	98.8	Very high	98.3	Very high	4 Å²	4	24.3 Å²	24.3	2%	0.021	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-25.9	-164.8	-167.2	60.1	0	0	0	114.8	V231 N237 L238 V241 A288 K292	V231-I235 VanDerWaalsContact O-CB 3.3Å; V231-I235 WeakPolarHBondContact O-CB 3.34Å; V231-I235 WeakPolarHBondContact O-CG2 3.33Å; V231-I235 PolarHBondContact O-N 3.14Å; I235-N237 VanDerWaalsContact C-N 3.27Å; I235-N237 PolarHBondContact O-N 2.69Å; I235-L238 PolarHBondContact O-N 2.95Å; I235-V241 HydrophobicContact CD1-CG2 3.69Å; I235-A288 HydrophobicContact CD1-CB 4.03Å; I235-A288 HydrophobicContact CG1-CB 3.96Å; I235-K292 HydrophobicContact CD1-CB 4.29Å; I235-K292 HydrophobicContact CD1-CD 3.98Å; I235-K292 HydrophobicContact CG1-CD 4.14Å; I235-K292 PolarHBondContact O-NZ 3.45Å
236	N	98.3	Very high	98.4	Very high	126 Å²	126	24.6 Å²	24.6	67%	0.674	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-14.7	175.8	-71.4	-31.7	0	0	0	113.2	I234	I234-N236 VanDerWaalsContact C-N 3.25Å; I234-N236 PolarHBondContact O-N 3.42Å; I234-N236 VanDerWaalsContact O-N 3.1Å
237	N	98.8	Very high	98.5	Very high	19 Å²	19	22.7 Å²	22.7	10%	0.102	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-10.9	175.1	-64.4	-68.3	0	0	0	112.7	V201 K205 R209 A233 I234 I235	V201-N237 HydrophobicContact CG1-CB 3.84Å; K205-N237 HydrophobicContact CB-CB 3.89Å; K205-N237 VanDerWaalsContact CD-O 3.26Å; K205-N237 WeakPolarHBondContact CD-O 3.47Å; K205-N237 HydrophobicContact CG-CB 4.16Å; K205-N237 VanDerWaalsContact CG-O 3.28Å; K205-N237 WeakPolarHBondContact CG-O 3.45Å; R209-N237 PolarHBondContact NH2-OD1 3.38Å; A233-N237 PolarHBondContact O-ND2 3.14Å; I234-N237 WeakPolarHBondContact O-CA 3.5Å; I234-N237 WeakPolarHBondContact O-CB 3.31Å; I234-N237 PolarHBondContact O-N 2.85Å; I235-N237 VanDerWaalsContact C-N 3.27Å; I235-N237 PolarHBondContact O-N 2.69Å
238	L	98.8	Very high	98.5	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.01	12%	0.119	C	C	.	.			trans	-102.8	139.2	-179.8	-61.1	171.4	0	0	0	110.8	V201 L215 L217 I234 I235 V241 K292	V201-L238 HydrophobicContact CG1-CD2 3.8Å; V201-L238 HydrophobicContact CG1-CG 4.07Å; L215-L238 HydrophobicContact CD2-CD2 4.07Å; L215-L238 HydrophobicContact CG-CD2 3.92Å; L215-L238 WeakPolarHBondContact O-CA 3.3Å; L217-L238 HydrophobicContact CB-CD1 3.71Å; L217-L238 HydrophobicContact CB-CD2 3.98Å; L217-L238 HydrophobicContact CB-CG 4.46Å; L217-L238 HydrophobicContact CD2-CD1 3.75Å; L217-L238 HydrophobicContact CG-CD1 4.4Å; I234-L238 HydrophobicContact CB-CD1 4.33Å; I234-L238 HydrophobicContact CD1-CD1 4.14Å; I234-L238 HydrophobicContact CG1-CD1 4.04Å; I234-L238 PolarHBondContact O-N 3.46Å; I235-L238 PolarHBondContact O-N 2.95Å; L238-V241 HydrophobicContact CD1-CG2 3.92Å; L238-K292 PolarHBondContact O-NZ 2.9Å
239	D	98.5	Very high	98.3	Very high	64 Å²	64	21.5 Å²	21.5	34%	0.342	12%	0.121	S	C	.	.	S	Bend	trans	-81.4	-33.9	175	-63.8	-79.9	0	0	0	111	K205 I214 L215	K205-D239 IonicContact NZ-OD1 3.63Å; K205-D239 PolarHBondContact NZ-OD1 2.8Å; K205-D239 IonicContact NZ-OD2 2.62Å; K205-D239 PolarHBondContact NZ-OD2 3.11Å; I214-D239 WeakPolarHBondContact CA-OD2 3.24Å; I214-D239 HydrophobicContact CG2-CB 3.75Å; L215-D239 PolarHBondContact N-OD2 3.34Å; L215-D239 PolarHBondContact O-N 3.31Å
240	Y	98.7	Very high	98.3	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.008	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	166.4	171.7	65.4	-102	0	0	0	111.4	L28 L105 D152 I214 G216 L217 N242 K292	L28-Y240 HydrophobicContact CD2-CD1 4.03Å; L28-Y240 HydrophobicContact CD2-CD2 3.97Å; L28-Y240 HydrophobicContact CD2-CE1 3.57Å; L28-Y240 HydrophobicContact CD2-CE2 3.57Å; L28-Y240 HydrophobicContact CD2-CG 4.22Å; L105-Y240 HydrophobicContact CD2-CE1 4.18Å; D152-Y240 PolarHBondContact OD1-OH 3.39Å; I214-Y240 HydrophobicContact CG2-CD1 4.41Å; I214-Y240 HydrophobicContact CG2-CE1 4.03Å; G216-Y240 VanDerWaalsContact CA-CZ 3.5Å; L217-Y240 PolarHBondContact N-O 3Å; Y240-N242 WeakPolarHBondContact CD2-OD1 3.42Å; Y240-N242 WeakPolarHBondContact CE2-ND2 3.2Å; Y240-K292 CarbonylContact C-O 3.28Å; Y240-K292 VanDerWaalsContact CA-O 3.31Å; Y240-K292 WeakPolarHBondContact CA-O 3.32Å
241	V	98.9	Very high	98.2	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	119.2	169.8	-177.5	0	0	0	0	108.9	L217 V219 I235 L238 L243 W283 K292 I293 N294	L217-V241 HydrophobicContact CB-CG2 4.45Å; L217-V241 HydrophobicContact CD2-CG1 4.38Å; L217-V241 HydrophobicContact CG-CG1 4.46Å; L217-V241 CarbonylContact O-C 3.48Å; L217-V241 WeakPolarHBondContact O-CA 3.03Å; V219-V241 HydrophobicContact CG2-CG1 3.9Å; I235-V241 HydrophobicContact CD1-CG2 3.69Å; L238-V241 HydrophobicContact CD1-CG2 3.92Å; V241-L243 HydrophobicContact CG1-CD2 3.81Å; V241-W283 HydrophobicContact CB-CE3 4.44Å; V241-W283 HydrophobicContact CB-CZ3 4.28Å; V241-W283 HydrophobicContact CG1-CD2 4.28Å; V241-W283 HydrophobicContact CG1-CE3 3.98Å; V241-W283 HydrophobicContact CG1-CH2 3.85Å; V241-W283 HydrophobicContact CG1-CZ2 4.15Å; V241-W283 HydrophobicContact CG1-CZ3 3.76Å; V241-W283 HydrophobicContact CG2-CE3 4.18Å; V241-W283 HydrophobicContact CG2-CH2 4.39Å; V241-W283 HydrophobicContact CG2-CZ3 3.72Å; V241-K292 PolarHBondContact N-O 2.86Å; V241-I293 CarbonylContact O-C 3.56Å; V241-I293 WeakPolarHBondContact O-CA 2.93Å; V241-N294 PolarHBondContact O-N 3.48Å
242	N	98.9	Very high	98	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	119.5	171.3	-60.4	-26.9	0	0	0	109	Y30 L217 S218 V219 Y240 N294 A413	Y30-N242 PolarHBondContact OH-ND2 3.28Å; L217-N242 PolarHBondContact O-N 3.2Å; S218-N242 CarbonylContact C-O 3.59Å; S218-N242 WeakPolarHBondContact CA-O 3.47Å; V219-N242 PolarHBondContact N-O 3.02Å; Y240-N242 WeakPolarHBondContact CD2-OD1 3.42Å; Y240-N242 WeakPolarHBondContact CE2-ND2 3.2Å; N242-N294 WeakPolarHBondContact OD1-CB 3.4Å; N242-N294 PolarHBondContact OD1-ND2 3.34Å; N242-A413 HydrophobicContact CB-CB 4.11Å
243	L	98.9	Very high	97.7	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.01	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	108.2	172.4	-54.7	-178.8	0	0	0	108.2	V219 V241 T245 Q279 V280 W283 I293 N294 G296	V219-L243 HydrophobicContact CB-CD2 3.98Å; V219-L243 HydrophobicContact CG2-CD2 3.77Å; V241-L243 HydrophobicContact CG1-CD2 3.81Å; L243-T245 HydrophobicContact CB-CG2 3.72Å; L243-T245 PolarHBondContact O-N 2.91Å; L243-T245 PolarHBondContact O-OG1 2.9Å; L243-Q279 HydrophobicContact CD1-CB 4.23Å; L243-V280 HydrophobicContact CD1-CG2 4.09Å; L243-W283 HydrophobicContact CD1-CG 4.34Å; L243-W283 HydrophobicContact CD2-CD2 4.06Å; L243-W283 HydrophobicContact CD2-CG 3.99Å; L243-W283 HydrophobicContact CD2-CZ2 4.45Å; L243-I293 HydrophobicContact CD1-CG2 3.6Å; L243-I293 HydrophobicContact CG-CG2 3.99Å; L243-N294 PolarHBondContact N-O 3.35Å; L243-G296 WeakPolarHBondContact O-CA 3.47Å; L243-G296 PolarHBondContact O-N 3.42Å
244	H	98.7	Very high	97.4	Very high	11 Å²	11	21.1 Å²	21.1	5%	0.051	11%	0.105	C	C	.	.			trans	-76	75.4	176.1	-67.9	-170.7	0	0	0	110	Y30 V219 P221 Y246	Y30-H244 AromaticContact CZ-NE2 3.96Å; V219-H244 VanDerWaalsContact O-CB 3.24Å; V219-H244 WeakPolarHBondContact O-CB 3.42Å; V219-H244 PolarHBondContact O-N 3.35Å; P221-H244 HydrophobicContact CG-CB 3.88Å; H244-Y246 HydrophobicContact CB-CD1 4.38Å; H244-Y246 HydrophobicContact CB-CE1 3.65Å; H244-Y246 HydrophobicContact CB-CE2 4.34Å; H244-Y246 AromaticContact CG-CE1 3.97Å; H244-Y246 AromaticContact CG-CZ 3.82Å; H244-Y246 VanDerWaalsContact CG-OH 3.29Å; H244-Y246 AromaticContact ND1-CZ 3.96Å; H244-Y246 PolarHBondContact ND1-OH 3.47Å; H244-Y246 PolarHBondContact O-N 3.38Å
245	T	98.5	Very high	97.2	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.012	13%	0.125	C	C	.	.			trans	-86.3	55.6	-173.4	50.3	0	0	0	0	112.4	L243 F248 V276 Q279 G296	L243-T245 HydrophobicContact CB-CG2 3.72Å; L243-T245 PolarHBondContact O-N 2.91Å; L243-T245 PolarHBondContact O-OG1 2.9Å; T245-F248 HydrophobicContact CG2-CZ 4.33Å; T245-V276 HydrophobicContact CG2-CG1 4.46Å; T245-Q279 HydrophobicContact CG2-CB 3.76Å; T245-Q279 HydrophobicContact CG2-CG 3.95Å; T245-G296 PolarHBondContact OG1-O 2.94Å
246	Y	98.5	Very high	97.1	Very high	9 Å²	9	29 Å²	29	4%	0.035	14%	0.144	C	C	.	.			trans	-145.6	-177.9	176.3	52.5	-100	0	0	0	108.3	P221 H244 F248 P261 A298 Y300 V415	P221-Y246 VanDerWaalsContact CB-O 3.28Å; P221-Y246 WeakPolarHBondContact CB-O 3.36Å; P221-Y246 HydrophobicContact CG-CD2 3.91Å; P221-Y246 HydrophobicContact CG-CE2 3.64Å; H244-Y246 HydrophobicContact CB-CD1 4.38Å; H244-Y246 HydrophobicContact CB-CE1 3.65Å; H244-Y246 HydrophobicContact CB-CE2 4.34Å; H244-Y246 AromaticContact CG-CE1 3.97Å; H244-Y246 AromaticContact CG-CZ 3.82Å; H244-Y246 VanDerWaalsContact CG-OH 3.29Å; H244-Y246 AromaticContact ND1-CZ 3.96Å; H244-Y246 PolarHBondContact ND1-OH 3.47Å; H244-Y246 PolarHBondContact O-N 3.38Å; Y246-F248 PolarHBondContact O-N 3.22Å; Y246-P261 CarbonylContact C-O 3.54Å; Y246-P261 VanDerWaalsContact C-O 3.28Å; Y246-P261 WeakPolarHBondContact CA-O 3.38Å; Y246-A298 HydrophobicContact CD1-CB 3.97Å; Y246-A298 HydrophobicContact CD2-CB 3.78Å; Y246-A298 HydrophobicContact CE1-CB 4.41Å; Y246-A298 HydrophobicContact CE2-CB 4.25Å; Y246-A298 HydrophobicContact CG-CB 3.63Å; Y246-Y300 VanDerWaalsContact CE2-OH 3.24Å; Y246-Y300 WeakPolarHBondContact CE2-OH 3.24Å; Y246-V415 HydrophobicContact CE1-CB 4.2Å; Y246-V415 HydrophobicContact CE1-CG2 4.15Å; Y246-V415 WeakPolarHBondContact OH-CB 3.42Å; Y246-V415 VanDerWaalsContact OH-CG1 3.3Å; Y246-V415 WeakPolarHBondContact OH-CG1 3.42Å
247	D	97.4	Very high	97	Very high	17 Å²	17	23.5 Å²	23.5	9%	0.091	12%	0.115	C	C	.	.			trans	51.5	26	-176.5	-70	-12.5	0	0	0	114.5	P221 N222 Q249 T250 P261 Y300 R302	P221-D247 HydrophobicContact CB-CB 3.9Å; P221-D247 HydrophobicContact CG-CB 4.09Å; N222-D247 PolarHBondContact ND2-O 3.13Å; D247-Q249 PolarHBondContact O-N 3.42Å; D247-T250 HydrophobicContact CB-CG2 3.61Å; D247-P261 PolarHBondContact N-O 2.97Å; D247-Y300 PolarHBondContact OD2-OH 2.75Å; D247-Y300 VanDerWaalsContact OD2-OH 3.1Å; D247-R302 VanDerWaalsContact CG-NE 3.33Å; D247-R302 WeakPolarHBondContact OD1-CG 3.32Å; D247-R302 IonicContact OD1-CZ 3.65Å; D247-R302 IonicContact OD1-NE 3.1Å; D247-R302 PolarHBondContact OD1-NE 3.03Å; D247-R302 IonicContact OD1-NH2 2.69Å; D247-R302 IonicContact OD2-CZ 2.78Å; D247-R302 IonicContact OD2-NE 3.6Å; D247-R302 PolarHBondContact OD2-NE 3.29Å; D247-R302 IonicContact OD2-NH2 3.89Å; D247-R302 PolarHBondContact OD2-NH2 3.46Å
248	F	96.2	Very high	96.9	Very high	5 Å²	5	22.6 Å²	22.6	2%	0.022	11%	0.11	C	C	.	.	S	Bend	trans	-60.7	-40.1	173.4	-67.8	-61.6	0	0	0	110.4	N222 T245 Y246 R253 P261 F274 Q279	N222-F248 PolarHBondContact OD1-O 3.07Å; T245-F248 HydrophobicContact CG2-CZ 4.33Å; Y246-F248 PolarHBondContact O-N 3.22Å; F248-R253 PolarHBondContact O-NE 3.2Å; F248-P261 WeakPolarHBondContact CD2-O 3.37Å; F248-P261 PolarHBondContact N-O 3.29Å; F248-F274 HydrophobicContact CB-CB 3.85Å; F248-F274 HydrophobicContact CB-CD2 4.08Å; F248-F274 HydrophobicContact CB-CG 4.05Å; F248-F274 HydrophobicContact CD1-CB 3.91Å; F248-F274 HydrophobicContact CD1-CD1 4.03Å; F248-F274 AromaticContact CD1-CG 3.95Å; F248-F274 HydrophobicContact CD1-CG 3.95Å; F248-F274 HydrophobicContact CG-CB 3.89Å; F248-F274 HydrophobicContact CG-CG 4.25Å; F248-Q279 HydrophobicContact CE1-CG 4.25Å; F248-Q279 HydrophobicContact CZ-CG 3.97Å
249	Q	95.1	Very high	96.8	Very high	12 Å²	12	22.7 Å²	22.7	6%	0.056	11%	0.111	C	C	.	.	S	Bend	trans	-120.1	131.7	168.8	-60.4	-63.6	-21	0	0	109.1	D247 D259 P261 W304	D247-Q249 PolarHBondContact O-N 3.42Å; Q249-D259 HydrophobicContact CB-CB 4.45Å; Q249-D259 HydrophobicContact CG-CB 4.2Å; Q249-P261 WeakPolarHBondContact O-CB 3.44Å; Q249-W304 HydrophobicContact CB-CH2 4.44Å; Q249-W304 HydrophobicContact CB-CZ2 4.41Å
250	T	96.9	Very high	96.7	Very high	8 Å²	8	20.5 Å²	20.5	5%	0.049	10%	0.098	C	C	.	.			trans	-143	157.5	174.9	81.6	0	0	0	0	108.4	D247 E252 R253 N254 R302 W304	D247-T250 HydrophobicContact CB-CG2 3.61Å; T250-E252 WeakPolarHBondContact CB-OE2 3.33Å; T250-E252 PolarHBondContact O-N 3.32Å; T250-E252 PolarHBondContact OG1-N 3.23Å; T250-E252 PolarHBondContact OG1-OE2 3.09Å; T250-R253 PolarHBondContact O-N 3.08Å; T250-R253 WeakPolarHBondContact OG1-CG 3.48Å; T250-R253 PolarHBondContact OG1-N 2.9Å; T250-N254 PolarHBondContact O-N 3.49Å; T250-R302 HydrophobicContact CG2-CG 4.05Å; T250-W304 VanDerWaalsContact CA-CZ2 3.41Å
251	P	97	Very high	96.6	Very high	2 Å²	2	21 Å²	21	1%	0.013	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-26.9	176.8	24.1	-35.8	0	0	0	113.8	N254 N255 A303 W304 V324	P251-N254 CarbonylContact O-C 3.56Å; P251-N255 WeakPolarHBondContact O-CA 3.19Å; P251-N255 WeakPolarHBondContact O-CB 3.41Å; P251-N255 PolarHBondContact O-N 3.02Å; P251-A303 WeakPolarHBondContact CG-O 3.2Å; P251-W304 VanDerWaalsContact CA-NE1 3.32Å; P251-W304 HydrophobicContact CB-CD2 4.05Å; P251-W304 HydrophobicContact CB-CG 4Å; P251-W304 HydrophobicContact CG-CD2 4.41Å; P251-W304 VanDerWaalsContact N-CZ2 3.29Å; P251-V324 HydrophobicContact CB-CB 4.4Å; P251-V324 HydrophobicContact CB-CG1 3.83Å; P251-V324 HydrophobicContact CG-CB 4.47Å; P251-V324 HydrophobicContact CG-CG1 3.83Å
252	E	94.2	Very high	96.6	Very high	106 Å²	106	21.4 Å²	21.4	50%	0.495	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-30.5	175.6	-54.2	77.7	-169.5	0	0	112.1	T250 V324	T250-E252 WeakPolarHBondContact CB-OE2 3.33Å; T250-E252 PolarHBondContact O-N 3.32Å; T250-E252 PolarHBondContact OG1-N 3.23Å; T250-E252 PolarHBondContact OG1-OE2 3.09Å; E252-V324 HydrophobicContact CG-CG1 4.36Å
253	R	92.5	Very high	96.6	Very high	48 Å²	48	21.5 Å²	21.5	18%	0.181	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-43.1	177.4	-65.8	176.7	62.7	67.4	-2.1	110.9	N160 P162 N222 F248 T250	N160-R253 PolarHBondContact O-NH1 3.26Å; N160-R253 VanDerWaalsContact O-NH1 3.1Å; N160-R253 PolarHBondContact O-NH2 3.14Å; P162-R253 HydrophobicContact CB-CB 4.39Å; P162-R253 WeakPolarHBondContact CG-O 3.27Å; N222-R253 PolarHBondContact ND2-NE 3.24Å; N222-R253 VanDerWaalsContact OD1-CZ 3.31Å; N222-R253 PolarHBondContact OD1-NE 3.19Å; N222-R253 PolarHBondContact OD1-NH2 2.93Å; F248-R253 PolarHBondContact O-NE 3.2Å; T250-R253 PolarHBondContact O-N 3.08Å; T250-R253 WeakPolarHBondContact OG1-CG 3.48Å; T250-R253 PolarHBondContact OG1-N 2.9Å
254	N	93.4	Very high	96.6	Very high	4 Å²	4	21.8 Å²	21.8	2%	0.021	11%	0.107	C	C	.	.			trans	-139.8	90.8	179.7	-165.8	-3.1	0	0	0	109.4	T250 P251 E256 W304	T250-N254 PolarHBondContact O-N 3.49Å; P251-N254 CarbonylContact O-C 3.56Å; N254-E256 VanDerWaalsContact C-N 3.33Å; N254-W304 PolarHBondContact O-NE1 2.92Å
255	N	95.1	Very high	96.6	Very high	80 Å²	80	23.6 Å²	23.6	43%	0.428	11%	0.114	S	C	.	.	S	Bend	trans	-70	-30.3	-177.4	58.7	-9.1	0	0	0	112.9	P251 A321 G323	P251-N255 WeakPolarHBondContact O-CA 3.19Å; P251-N255 WeakPolarHBondContact O-CB 3.41Å; P251-N255 PolarHBondContact O-N 3.02Å; N255-A321 CarbonylContact O-C 3.59Å; N255-A321 WeakPolarHBondContact O-CB 3.48Å; N255-A321 VanDerWaalsContact O-O 3.09Å; N255-G323 PolarHBondContact O-N 3.39Å
256	E	95.8	Very high	96.4	Very high	90 Å²	90	28.3 Å²	28.3	42%	0.421	14%	0.135	S	C	.	.	S	Bend	trans	-80.7	-17.8	-176.2	-71.3	159.1	-166.2	0	0	113.3	K164 N254 A319 E320 A321	K164-E256 IonicContact NZ-OE1 2.69Å; K164-E256 PolarHBondContact NZ-OE1 3.26Å; K164-E256 VanDerWaalsContact NZ-OE1 3.16Å; K164-E256 IonicContact NZ-OE2 3.16Å; K164-E256 PolarHBondContact NZ-OE2 2.99Å; N254-E256 VanDerWaalsContact C-N 3.33Å; E256-A319 CarbonylContact O-C 3.55Å; E256-E320 PolarHBondContact O-N 2.66Å; E256-E320 VanDerWaalsContact O-N 3.07Å; E256-A321 WeakPolarHBondContact CA-O 3.43Å; E256-A321 PolarHBondContact O-N 3.06Å
257	V	95.3	Very high	96.2	Very high	11 Å²	11	28.5 Å²	28.5	7%	0.067	14%	0.137	C	C	.	.			trans	-140	119	-173.2	-176.8	0	0	0	0	112.2	V165 W304 P317 V318	V165-V257 WeakPolarHBondContact O-CG2 3.4Å; V257-W304 PolarHBondContact O-NE1 3.48Å; V257-P317 HydrophobicContact CG1-CB 3.57Å; V257-V318 VanDerWaalsContact CA-O 3.29Å; V257-V318 WeakPolarHBondContact CA-O 3.36Å
258	A	97.3	Very high	95.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-86.5	131.7	171.2	0	0	0	0	0	111	W304 P317 V318 W388	A258-W304 HydrophobicContact CB-CB 3.86Å; A258-W304 HydrophobicContact CB-CD2 3.6Å; A258-W304 HydrophobicContact CB-CE3 3.99Å; A258-W304 HydrophobicContact CB-CG 3.55Å; A258-P317 CarbonylContact O-C 3.2Å; A258-P317 WeakPolarHBondContact O-CA 3.36Å; A258-V318 HydrophobicContact CB-CB 4.17Å; A258-V318 PolarHBondContact N-O 3.36Å; A258-V318 PolarHBondContact O-N 3.21Å; A258-W388 HydrophobicContact CB-CB 4.16Å; A258-W388 HydrophobicContact CB-CD2 3.78Å; A258-W388 HydrophobicContact CB-CE3 3.64Å; A258-W388 HydrophobicContact CB-CG 4.02Å; A258-W388 HydrophobicContact CB-CZ3 4.27Å
259	D	96.3	Very high	95.5	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.021	19%	0.193	C	C	.	.			trans	-153	174.2	178.4	-156.7	-11.9	0	0	0	109.5	Q249 P261 R270 P316 P317 W388	Q249-D259 HydrophobicContact CB-CB 4.45Å; Q249-D259 HydrophobicContact CG-CB 4.2Å; D259-P261 WeakPolarHBondContact O-CD 3.48Å; D259-R270 IonicContact OD1-NH2 3.53Å; D259-R270 IonicContact OD2-CZ 3.42Å; D259-R270 IonicContact OD2-NE 2.8Å; D259-R270 PolarHBondContact OD2-NE 3.46Å; D259-R270 VanDerWaalsContact OD2-NE 3.1Å; D259-R270 IonicContact OD2-NH2 2.75Å; D259-P316 WeakPolarHBondContact OD1-CB 3.34Å; D259-P317 HydrophobicContact CB-CB 4.39Å; D259-W388 VanDerWaalsContact C-CH2 3.49Å; D259-W388 WeakPolarHBondContact O-CH2 3.21Å; D259-W388 WeakPolarHBondContact O-CZ3 3.25Å
260	F	97.3	Very high	95.3	Very high	18 Å²	18	41.9 Å²	41.9	8%	0.079	20%	0.201	C	C	.	.			trans	-60.3	125.9	-176.2	-67.8	-75.5	0	0	0	112.4	P263 L267 P316 F371 G372 Y374	F260-P263 HydrophobicContact CB-CB 4.35Å; F260-P263 HydrophobicContact CB-CG 4.36Å; F260-L267 HydrophobicContact CD2-CD1 4.36Å; F260-L267 HydrophobicContact CD2-CD2 3.54Å; F260-L267 HydrophobicContact CE2-CD2 3.79Å; F260-P316 HydrophobicContact CD2-CB 4.28Å; F260-P316 HydrophobicContact CD2-CG 3.84Å; F260-P316 HydrophobicContact CE1-CG 4.29Å; F260-P316 HydrophobicContact CE2-CB 4.13Å; F260-P316 HydrophobicContact CE2-CG 3.23Å; F260-P316 HydrophobicContact CZ-CG 3.5Å; F260-P316 VanDerWaalsContact CZ-CG 3.5Å; F260-F371 HydrophobicContact CD1-CB 4.29Å; F260-F371 WeakPolarHBondContact CD1-O 3.38Å; F260-F371 HydrophobicContact CD2-CB 4.05Å; F260-F371 HydrophobicContact CE1-CB 4.14Å; F260-F371 HydrophobicContact CE2-CB 3.84Å; F260-F371 HydrophobicContact CE2-CG 4.48Å; F260-F371 HydrophobicContact CG-CB 4.24Å; F260-F371 HydrophobicContact CZ-CB 3.89Å; F260-G372 VanDerWaalsContact CE1-O 3.22Å; F260-G372 WeakPolarHBondContact CE1-O 3.5Å; F260-Y374 AromaticContact CE1-CD1 3.79Å; F260-Y374 HydrophobicContact CE1-CD1 3.79Å; F260-Y374 AromaticContact CZ-CD1 3.97Å; F260-Y374 HydrophobicContact CZ-CD1 3.97Å; F260-Y374 HydrophobicContact CZ-CE1 4.23Å
261	P	97.4	Very high	95	Very high	13 Å²	13	42.5 Å²	42.5	8%	0.084	20%	0.204	C	C	.	.	S	Bend	trans	-76.5	-25.8	179.2	28.7	-34.2	0	0	0	112.8	Y246 D247 F248 Q249 D259 R302	Y246-P261 CarbonylContact C-O 3.54Å; Y246-P261 VanDerWaalsContact C-O 3.28Å; Y246-P261 WeakPolarHBondContact CA-O 3.38Å; D247-P261 PolarHBondContact N-O 2.97Å; F248-P261 WeakPolarHBondContact CD2-O 3.37Å; F248-P261 PolarHBondContact N-O 3.29Å; Q249-P261 WeakPolarHBondContact O-CB 3.44Å; D259-P261 WeakPolarHBondContact O-CD 3.48Å; P261-R302 HydrophobicContact CB-CB 4.36Å; P261-R302 HydrophobicContact CB-CG 4.22Å
262	A	98.1	Very high	94.8	Very high	7 Å²	7	45.1 Å²	45.1	6%	0.058	22%	0.22	C	C	.	.	S	Bend	trans	-146.6	48	-167.8	0	0	0	0	0	115.3	K400	A262-K400 VanDerWaalsContact CB-NZ 3.31Å; A262-K400 WeakPolarHBondContact O-CE 3.43Å; A262-K400 PolarHBondContact O-NZ 3.16Å
263	P	98.4	Very high	94.8	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.013	21%	0.209	C	C	.	.			trans	-65.6	146.2	-178.7	31.4	-38	0	0	0	112.5	F260 L267 F274 N275 V276 F371	F260-P263 HydrophobicContact CB-CB 4.35Å; F260-P263 HydrophobicContact CB-CG 4.36Å; P263-L267 HydrophobicContact CB-CD1 3.63Å; P263-L267 HydrophobicContact CG-CD1 3.6Å; P263-F274 WeakPolarHBondContact CG-O 3.41Å; P263-N275 HydrophobicContact CG-CB 4.15Å; P263-N275 CarbonylContact O-C 3.48Å; P263-N275 VanDerWaalsContact O-CA 3.23Å; P263-N275 WeakPolarHBondContact O-CA 3.29Å; P263-N275 WeakPolarHBondContact O-CB 3.5Å; P263-V276 WeakPolarHBondContact O-CG2 3.29Å; P263-V276 PolarHBondContact O-N 2.82Å; P263-F371 WeakPolarHBondContact CA-O 3.4Å; P263-F371 HydrophobicContact CB-CB 4.42Å; P263-F371 HydrophobicContact CB-CD1 4.32Å
264	I	98.7	Very high	94.9	Very high	9 Å²	9	41.1 Å²	41.1	5%	0.046	20%	0.204	C	C	.	.	S	Bend	trans	-73.5	-42.5	175.9	-60.8	176.1	0	0	0	110.3	N275 V276 N277 R370 I399 K400 Y403	I264-N275 PolarHBondContact O-OD1 2.95Å; I264-V276 HydrophobicContact CG1-CG2 4.41Å; I264-V276 HydrophobicContact CG2-CB 4.47Å; I264-V276 PolarHBondContact O-N 3.24Å; I264-N277 WeakPolarHBondContact O-CB 3.46Å; I264-N277 PolarHBondContact O-N 3.31Å; I264-R370 WeakPolarHBondContact CA-O 3.49Å; I264-R370 WeakPolarHBondContact CB-O 3.48Å; I264-R370 PolarHBondContact N-O 2.79Å; I264-I399 HydrophobicContact CD1-CG2 3.64Å; I264-K400 HydrophobicContact CD1-CG 3.78Å; I264-K400 HydrophobicContact CG1-CG 3.91Å; I264-Y403 HydrophobicContact CG2-CD2 3.46Å; I264-Y403 VanDerWaalsContact CG2-CD2 3.46Å; I264-Y403 HydrophobicContact CG2-CE2 3.82Å; I264-Y403 HydrophobicContact CG2-CG 4.06Å
265	Y	98.4	Very high	95.1	Very high	49 Å²	49	41 Å²	41	19%	0.192	20%	0.203	C	C	.	.	S	Bend	trans	-117.6	159.6	-177.8	-61.8	-73.1	0	0	0	112.2	N275 N277 R370 Y403 R406	Y265-N275 VanDerWaalsContact C-CB 3.47Å; Y265-N277 HydrophobicContact CD1-CB 3.74Å; Y265-N277 HydrophobicContact CE1-CB 3.93Å; Y265-R370 HydrophobicContact CD2-CB 3.87Å; Y265-R370 HydrophobicContact CD2-CG 3.88Å; Y265-R370 HydrophobicContact CE2-CG 4.41Å; Y265-R370 PolarHBondContact N-O 3.36Å; Y265-R370 VanDerWaalsContact N-O 3.09Å; Y265-Y403 HydrophobicContact CE1-CE2 4.41Å; Y265-R406 PolarHBondContact OH-NH2 3.42Å
266	E	96	Very high	95.3	Very high	101 Å²	101	37.2 Å²	37.2	47%	0.472	18%	0.183	S	C	.	.	P	Polyproline II helix	trans	-54	138.4	173.7	176	176.6	179.1	0	0	112.2	P272 N275	E266-P272 HydrophobicContact CG-CB 4.35Å; E266-P272 WeakPolarHBondContact OE1-CB 3.44Å; E266-N275 PolarHBondContact N-ND2 3.31Å
267	L	93.9	Very high	95.4	Very high	13 Å²	13	34.8 Å²	34.8	7%	0.068	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-98.6	139.3	169.8	-67.4	106.8	0	0	0	110.4	F260 P263 E269 R270 F371	F260-L267 HydrophobicContact CD2-CD1 4.36Å; F260-L267 HydrophobicContact CD2-CD2 3.54Å; F260-L267 HydrophobicContact CE2-CD2 3.79Å; P263-L267 HydrophobicContact CB-CD1 3.63Å; P263-L267 HydrophobicContact CG-CD1 3.6Å; L267-E269 PolarHBondContact O-N 2.77Å; L267-R270 HydrophobicContact CB-CB 4.04Å; L267-R270 HydrophobicContact CB-CG 3.88Å; L267-R270 WeakPolarHBondContact O-CB 3.24Å; L267-R270 PolarHBondContact O-N 2.93Å; L267-R270 VanDerWaalsContact O-N 3.11Å; L267-F371 HydrophobicContact CD1-CD1 4.08Å; L267-F371 HydrophobicContact CD2-CD1 3.93Å; L267-F371 HydrophobicContact CD2-CE1 4.24Å; L267-F371 HydrophobicContact CD2-CG 4.08Å; L267-F371 HydrophobicContact CG-CD1 3.64Å; L267-F371 HydrophobicContact CG-CE1 3.77Å; L267-F371 HydrophobicContact CG-CG 4.3Å
268	N	90.7	Very high	95.6	Very high	127 Å²	127	38.1 Å²	38.1	68%	0.679	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	138	176.4	-173.8	35.3	0	0	0	111.3	R270	N268-R270 WeakPolarHBondContact O-CD 3.4Å; N268-R270 PolarHBondContact O-N 2.83Å; N268-R270 PolarHBondContact O-NH1 2.84Å
269	E	89.1	Confident	95.6	Very high	131 Å²	131	39.3 Å²	39.3	61%	0.612	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.1	13.8	-175.9	-47	-168.5	159.5	0	0	115.9	K171 L267	K171-E269 VanDerWaalsContact NZ-CD 3.31Å; K171-E269 IonicContact NZ-OE1 2.83Å; K171-E269 PolarHBondContact NZ-OE1 3.19Å; K171-E269 IonicContact NZ-OE2 3.36Å; K171-E269 PolarHBondContact NZ-OE2 2.83Å; L267-E269 PolarHBondContact O-N 2.77Å
270	R	89.9	Confident	95.7	Very high	57 Å²	57	39.1 Å²	39.1	22%	0.215	19%	0.189	C	C	.	.	S	Bend	trans	-102.1	-179.7	171.6	-76.1	67.7	161.4	-151.3	-9.9	110.7	D259 L267 N268 P272 P316	D259-R270 IonicContact OD1-NH2 3.53Å; D259-R270 IonicContact OD2-CZ 3.42Å; D259-R270 IonicContact OD2-NE 2.8Å; D259-R270 PolarHBondContact OD2-NE 3.46Å; D259-R270 VanDerWaalsContact OD2-NE 3.1Å; D259-R270 IonicContact OD2-NH2 2.75Å; L267-R270 HydrophobicContact CB-CB 4.04Å; L267-R270 HydrophobicContact CB-CG 3.88Å; L267-R270 WeakPolarHBondContact O-CB 3.24Å; L267-R270 PolarHBondContact O-N 2.93Å; L267-R270 VanDerWaalsContact O-N 3.11Å; N268-R270 WeakPolarHBondContact O-CD 3.4Å; N268-R270 PolarHBondContact O-N 2.83Å; N268-R270 PolarHBondContact O-NH1 2.84Å; R270-P272 WeakPolarHBondContact O-CD 3.39Å; R270-P316 VanDerWaalsContact NH2-C 3.33Å; R270-P316 PolarHBondContact NH2-O 3.37Å
271	N	90.1	Very high	95.8	Very high	21 Å²	21	42.9 Å²	42.9	11%	0.112	21%	0.206	C	C	.	.			trans	-67.3	119	170.7	-173.9	-8.9	0	0	0	109.7	E273 F274	N271-E273 PolarHBondContact O-N 2.86Å; N271-E273 WeakPolarHBondContact OD1-CB 3.41Å; N271-E273 WeakPolarHBondContact OD1-CG 3.29Å; N271-E273 PolarHBondContact OD1-N 3.15Å; N271-F274 HydrophobicContact CB-CB 4.16Å; N271-F274 HydrophobicContact CB-CD1 4.24Å; N271-F274 HydrophobicContact CB-CD2 3.93Å; N271-F274 HydrophobicContact CB-CE2 4.38Å; N271-F274 HydrophobicContact CB-CG 3.85Å; N271-F274 WeakPolarHBondContact ND2-CD1 3.43Å; N271-F274 WeakPolarHBondContact ND2-CE1 3.33Å; N271-F274 WeakPolarHBondContact ND2-CZ 3.43Å; N271-F274 PolarHBondContact O-N 2.63Å; N271-F274 VanDerWaalsContact O-N 3.13Å
272	P	92.8	Very high	95.9	Very high	56 Å²	56	44.3 Å²	44.3	36%	0.364	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-18.2	179.1	24.2	-35.7	0	0	0	113.7	E266 R270 N275 Y278	E266-P272 HydrophobicContact CG-CB 4.35Å; E266-P272 WeakPolarHBondContact OE1-CB 3.44Å; R270-P272 WeakPolarHBondContact O-CD 3.39Å; P272-N275 PolarHBondContact O-ND2 3.04Å; P272-Y278 WeakPolarHBondContact O-CB 3.43Å
273	E	93.7	Very high	95.9	Very high	54 Å²	54	44 Å²	44	25%	0.252	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-19.7	-178.3	-52	-176.9	178	0	0	113.3	N271 N275 Y278 Q279	N271-E273 PolarHBondContact O-N 2.86Å; N271-E273 WeakPolarHBondContact OD1-CB 3.41Å; N271-E273 WeakPolarHBondContact OD1-CG 3.29Å; N271-E273 PolarHBondContact OD1-N 3.15Å; E273-N275 VanDerWaalsContact C-N 3.27Å; E273-N275 PolarHBondContact O-N 3.43Å; E273-Y278 VanDerWaalsContact CA-CD1 3.46Å; E273-Y278 HydrophobicContact CB-CD1 3.75Å; E273-Y278 HydrophobicContact CB-CE1 3.6Å; E273-Y278 HydrophobicContact CB-CE2 4.46Å; E273-Y278 HydrophobicContact CB-CG 4.24Å; E273-Y278 HydrophobicContact CG-CD1 4.23Å; E273-Y278 HydrophobicContact CG-CD2 4.46Å; E273-Y278 HydrophobicContact CG-CE1 3.67Å; E273-Y278 HydrophobicContact CG-CE2 3.95Å; E273-Y278 WeakPolarHBondContact O-CD1 3.3Å; E273-Q279 PolarHBondContact O-NE2 2.78Å
274	F	94.5	Very high	95.9	Very high	16 Å²	16	46 Å²	46	7%	0.07	22%	0.219	C	C	.	.	S	Bend	trans	-90.3	58.4	-167.6	-76.9	11.1	0	0	0	111.8	F248 P263 N271	F248-F274 HydrophobicContact CB-CB 3.85Å; F248-F274 HydrophobicContact CB-CD2 4.08Å; F248-F274 HydrophobicContact CB-CG 4.05Å; F248-F274 HydrophobicContact CD1-CB 3.91Å; F248-F274 HydrophobicContact CD1-CD1 4.03Å; F248-F274 AromaticContact CD1-CG 3.95Å; F248-F274 HydrophobicContact CD1-CG 3.95Å; F248-F274 HydrophobicContact CG-CB 3.89Å; F248-F274 HydrophobicContact CG-CG 4.25Å; P263-F274 WeakPolarHBondContact CG-O 3.41Å; N271-F274 HydrophobicContact CB-CB 4.16Å; N271-F274 HydrophobicContact CB-CD1 4.24Å; N271-F274 HydrophobicContact CB-CD2 3.93Å; N271-F274 HydrophobicContact CB-CE2 4.38Å; N271-F274 HydrophobicContact CB-CG 3.85Å; N271-F274 WeakPolarHBondContact ND2-CD1 3.43Å; N271-F274 WeakPolarHBondContact ND2-CE1 3.33Å; N271-F274 WeakPolarHBondContact ND2-CZ 3.43Å; N271-F274 PolarHBondContact O-N 2.63Å; N271-F274 VanDerWaalsContact O-N 3.13Å
275	N	98.1	Very high	95.9	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.016	25%	0.247	C	C	.	.	S	Bend	trans	-156.7	157.9	176	60.5	89.9	0	0	0	111.3	P263 I264 Y265 E266 P272 E273 N277 Y278 Q279	P263-N275 HydrophobicContact CG-CB 4.15Å; P263-N275 CarbonylContact O-C 3.48Å; P263-N275 VanDerWaalsContact O-CA 3.23Å; P263-N275 WeakPolarHBondContact O-CA 3.29Å; P263-N275 WeakPolarHBondContact O-CB 3.5Å; I264-N275 PolarHBondContact O-OD1 2.95Å; Y265-N275 VanDerWaalsContact C-CB 3.47Å; E266-N275 PolarHBondContact N-ND2 3.31Å; P272-N275 PolarHBondContact O-ND2 3.04Å; E273-N275 VanDerWaalsContact C-N 3.27Å; E273-N275 PolarHBondContact O-N 3.43Å; N275-N277 VanDerWaalsContact C-N 3.31Å; N275-N277 PolarHBondContact O-N 3Å; N275-N277 PolarHBondContact OD1-N 2.92Å; N275-Y278 PolarHBondContact O-N 3.18Å; N275-Y278 PolarHBondContact OD1-N 2.79Å; N275-Q279 WeakPolarHBondContact O-CG 3.33Å; N275-Q279 PolarHBondContact O-N 2.03Å
276	V	98.8	Very high	95.9	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-54.6	-46.7	-179.2	-178.2	0	0	0	0	111.6	T245 P263 I264 Y278 Q279 V280 V295 Y403	T245-V276 HydrophobicContact CG2-CG1 4.46Å; P263-V276 WeakPolarHBondContact O-CG2 3.29Å; P263-V276 PolarHBondContact O-N 2.82Å; I264-V276 HydrophobicContact CG1-CG2 4.41Å; I264-V276 HydrophobicContact CG2-CB 4.47Å; I264-V276 PolarHBondContact O-N 3.24Å; V276-Y278 PolarHBondContact O-N 3.01Å; V276-Q279 PolarHBondContact O-N 3.05Å; V276-V280 HydrophobicContact CG1-CG2 4.22Å; V276-V280 WeakPolarHBondContact O-CG2 3.24Å; V276-V280 PolarHBondContact O-N 2.89Å; V276-V295 HydrophobicContact CG1-CB 4.4Å; V276-V295 HydrophobicContact CG1-CG1 3.67Å; V276-V295 HydrophobicContact CG1-CG2 3.77Å; V276-V295 HydrophobicContact CG2-CG1 4.47Å; V276-Y403 HydrophobicContact CG1-CD1 4.3Å; V276-Y403 HydrophobicContact CG1-CE1 3.82Å
277	N	98.7	Very high	96	Very high	39 Å²	39	53.9 Å²	53.9	21%	0.209	27%	0.267	C	S	.	.	H	α-helix	trans	-64	-43.8	-172.7	-178.9	81.7	0	0	0	112	I264 Y265 N275 Q279 V280 K281 Y403	I264-N277 WeakPolarHBondContact O-CB 3.46Å; I264-N277 PolarHBondContact O-N 3.31Å; Y265-N277 HydrophobicContact CD1-CB 3.74Å; Y265-N277 HydrophobicContact CE1-CB 3.93Å; N275-N277 VanDerWaalsContact C-N 3.31Å; N275-N277 PolarHBondContact O-N 3Å; N275-N277 PolarHBondContact OD1-N 2.92Å; N277-Q279 PolarHBondContact O-N 3.15Å; N277-V280 PolarHBondContact O-N 2.9Å; N277-K281 WeakPolarHBondContact O-CB 3.18Å; N277-K281 VanDerWaalsContact O-CG 3.24Å; N277-K281 WeakPolarHBondContact O-CG 3.22Å; N277-K281 PolarHBondContact O-N 2.83Å; N277-Y403 WeakPolarHBondContact CA-OH 3.31Å; N277-Y403 HydrophobicContact CB-CE2 4.26Å; N277-Y403 PolarHBondContact OD1-OH 3.11Å
278	Y	98.6	Very high	96.2	Very high	80 Å²	80	53.5 Å²	53.5	31%	0.314	27%	0.266	S	S	.	.	H	α-helix	trans	-58.5	-49	174.8	179.3	-87.6	0	0	0	111.7	P272 E273 N275 V276 V280 K281 Y282	P272-Y278 WeakPolarHBondContact O-CB 3.43Å; E273-Y278 VanDerWaalsContact CA-CD1 3.46Å; E273-Y278 HydrophobicContact CB-CD1 3.75Å; E273-Y278 HydrophobicContact CB-CE1 3.6Å; E273-Y278 HydrophobicContact CB-CE2 4.46Å; E273-Y278 HydrophobicContact CB-CG 4.24Å; E273-Y278 HydrophobicContact CG-CD1 4.23Å; E273-Y278 HydrophobicContact CG-CD2 4.46Å; E273-Y278 HydrophobicContact CG-CE1 3.67Å; E273-Y278 HydrophobicContact CG-CE2 3.95Å; E273-Y278 WeakPolarHBondContact O-CD1 3.3Å; N275-Y278 PolarHBondContact O-N 3.18Å; N275-Y278 PolarHBondContact OD1-N 2.79Å; V276-Y278 PolarHBondContact O-N 3.01Å; Y278-V280 VanDerWaalsContact C-N 3.33Å; Y278-V280 PolarHBondContact O-N 3.09Å; Y278-K281 PolarHBondContact O-N 3.33Å; Y278-Y282 WeakPolarHBondContact O-CB 3.37Å; Y278-Y282 PolarHBondContact O-N 3.18Å
279	Q	98.6	Very high	96.6	Very high	25 Å²	25	50.2 Å²	50.2	12%	0.117	25%	0.252	C	S	.	.	H	α-helix	trans	-61.6	-42.5	-177.9	-59.6	-59.3	-39.2	0	0	111.3	L243 T245 F248 E273 N275 V276 N277 Y282 W283	L243-Q279 HydrophobicContact CD1-CB 4.23Å; T245-Q279 HydrophobicContact CG2-CB 3.76Å; T245-Q279 HydrophobicContact CG2-CG 3.95Å; F248-Q279 HydrophobicContact CE1-CG 4.25Å; F248-Q279 HydrophobicContact CZ-CG 3.97Å; E273-Q279 PolarHBondContact O-NE2 2.78Å; N275-Q279 WeakPolarHBondContact O-CG 3.33Å; N275-Q279 PolarHBondContact O-N 2.03Å; V276-Q279 PolarHBondContact O-N 3.05Å; N277-Q279 PolarHBondContact O-N 3.15Å; Q279-Y282 PolarHBondContact O-N 3.48Å; Q279-W283 VanDerWaalsContact O-CD1 3.3Å; Q279-W283 PolarHBondContact O-N 2.81Å
280	V	98.9	Very high	97	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.006	24%	0.235	C	C	.	.	H	α-helix	trans	-62.7	-45.7	174.6	168.3	0	0	0	0	111.8	L243 V276 N277 Y278 Y282 W283 T284 V295 Y403 L409	L243-V280 HydrophobicContact CD1-CG2 4.09Å; V276-V280 HydrophobicContact CG1-CG2 4.22Å; V276-V280 WeakPolarHBondContact O-CG2 3.24Å; V276-V280 PolarHBondContact O-N 2.89Å; N277-V280 PolarHBondContact O-N 2.9Å; Y278-V280 VanDerWaalsContact C-N 3.33Å; Y278-V280 PolarHBondContact O-N 3.09Å; V280-Y282 VanDerWaalsContact C-N 3.32Å; V280-Y282 PolarHBondContact O-N 3.34Å; V280-W283 PolarHBondContact O-N 2.98Å; V280-T284 HydrophobicContact CG1-CG2 4.45Å; V280-T284 WeakPolarHBondContact O-CG2 3.3Å; V280-T284 PolarHBondContact O-N 3.02Å; V280-T284 PolarHBondContact O-OG1 3.48Å; V280-V295 HydrophobicContact CG2-CG2 3.88Å; V280-Y403 HydrophobicContact CG2-CE1 4.17Å; V280-L409 HydrophobicContact CB-CD1 4.48Å; V280-L409 HydrophobicContact CG1-CD1 3.83Å; V280-L409 HydrophobicContact CG1-CD2 3.71Å; V280-L409 HydrophobicContact CG1-CG 4.38Å; V280-L409 HydrophobicContact CG2-CD1 3.78Å
281	K	98.7	Very high	97.4	Very high	96 Å²	96	46 Å²	46	42%	0.417	25%	0.251	S	S	.	.	H	α-helix	trans	-67	-33.4	179.8	-67.4	-60.2	174.6	-164.3	0	112.3	N277 Y278 T284 G285 E407	N277-K281 WeakPolarHBondContact O-CB 3.18Å; N277-K281 VanDerWaalsContact O-CG 3.24Å; N277-K281 WeakPolarHBondContact O-CG 3.22Å; N277-K281 PolarHBondContact O-N 2.83Å; Y278-K281 PolarHBondContact O-N 3.33Å; K281-T284 WeakPolarHBondContact CA-OG1 3.42Å; K281-T284 PolarHBondContact O-OG1 2.77Å; K281-G285 WeakPolarHBondContact O-CA 3.34Å; K281-G285 PolarHBondContact O-N 2.69Å; K281-E407 IonicContact NZ-OE2 3.58Å; K281-E407 PolarHBondContact NZ-OE2 3.11Å
282	Y	98.7	Very high	97.8	Very high	43 Å²	43	47.3 Å²	47.3	17%	0.169	26%	0.256	C	S	.	.	H	α-helix	trans	-60	-52.7	172.8	177.6	-89.3	0	0	0	111.2	S226 V231 Y278 Q279 V280 G285 N286	S226-Y282 WeakPolarHBondContact CA-OH 3.39Å; S226-Y282 WeakPolarHBondContact CB-OH 3.2Å; S226-Y282 PolarHBondContact N-OH 3.46Å; V231-Y282 HydrophobicContact CG2-CE1 4.19Å; Y278-Y282 WeakPolarHBondContact O-CB 3.37Å; Y278-Y282 PolarHBondContact O-N 3.18Å; Q279-Y282 PolarHBondContact O-N 3.48Å; V280-Y282 VanDerWaalsContact C-N 3.32Å; V280-Y282 PolarHBondContact O-N 3.34Å; Y282-G285 PolarHBondContact O-N 3.33Å; Y282-N286 WeakPolarHBondContact CE2-ND2 2.96Å; Y282-N286 WeakPolarHBondContact O-CB 3.32Å; Y282-N286 PolarHBondContact O-N 3.07Å; Y282-N286 PolarHBondContact O-ND2 2.71Å
283	W	98.8	Very high	98.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-66.6	-45.6	-177.3	-81.7	77.1	0	0	0	112.4	L217 V219 S225 F229 V231 I234 V241 L243 Q279 V280 N286 A288 I293	L217-W283 HydrophobicContact CD2-CH2 3.6Å; L217-W283 HydrophobicContact CD2-CZ2 4.4Å; L217-W283 HydrophobicContact CD2-CZ3 4.39Å; V219-W283 HydrophobicContact CG2-CH2 4.02Å; V219-W283 HydrophobicContact CG2-CZ2 3.33Å; S225-W283 PolarHBondContact OG-NE1 3.14Å; S225-W283 VanDerWaalsContact OG-NE1 3.14Å; F229-W283 HydrophobicContact CB-CH2 4.22Å; F229-W283 HydrophobicContact CB-CZ2 4.26Å; F229-W283 HydrophobicContact CD2-CH2 4.29Å; F229-W283 AromaticContact CD2-CZ2 3.73Å; F229-W283 HydrophobicContact CD2-CZ2 3.73Å; F229-W283 HydrophobicContact CE2-CZ2 4.34Å; F229-W283 HydrophobicContact CG-CH2 4.15Å; F229-W283 HydrophobicContact CG-CZ2 4.04Å; V231-W283 HydrophobicContact CB-CE3 4.39Å; V231-W283 HydrophobicContact CB-CZ3 4.39Å; V231-W283 HydrophobicContact CG1-CD2 4.47Å; V231-W283 HydrophobicContact CG1-CE3 3.68Å; V231-W283 HydrophobicContact CG1-CZ3 3.94Å; V231-W283 HydrophobicContact CG2-CD2 4.04Å; V231-W283 HydrophobicContact CG2-CE3 3.81Å; V231-W283 HydrophobicContact CG2-CH2 4.05Å; V231-W283 HydrophobicContact CG2-CZ2 4.26Å; V231-W283 HydrophobicContact CG2-CZ3 3.81Å; I234-W283 HydrophobicContact CD1-CH2 4.11Å; I234-W283 HydrophobicContact CD1-CZ3 4.41Å; V241-W283 HydrophobicContact CB-CE3 4.44Å; V241-W283 HydrophobicContact CB-CZ3 4.28Å; V241-W283 HydrophobicContact CG1-CD2 4.28Å; V241-W283 HydrophobicContact CG1-CE3 3.98Å; V241-W283 HydrophobicContact CG1-CH2 3.85Å; V241-W283 HydrophobicContact CG1-CZ2 4.15Å; V241-W283 HydrophobicContact CG1-CZ3 3.76Å; V241-W283 HydrophobicContact CG2-CE3 4.18Å; V241-W283 HydrophobicContact CG2-CH2 4.39Å; V241-W283 HydrophobicContact CG2-CZ3 3.72Å; L243-W283 HydrophobicContact CD1-CG 4.34Å; L243-W283 HydrophobicContact CD2-CD2 4.06Å; L243-W283 HydrophobicContact CD2-CG 3.99Å; L243-W283 HydrophobicContact CD2-CZ2 4.45Å; Q279-W283 VanDerWaalsContact O-CD1 3.3Å; Q279-W283 PolarHBondContact O-N 2.81Å; V280-W283 PolarHBondContact O-N 2.98Å; W283-N286 CarbonylContact O-C 3.46Å; W283-N286 PolarHBondContact O-N 2.82Å; W283-A288 HydrophobicContact CB-CB 4.29Å; W283-A288 HydrophobicContact CE3-CB 4.14Å; W283-A288 VanDerWaalsContact O-CB 3.24Å; W283-A288 WeakPolarHBondContact O-CB 3.48Å; W283-A288 PolarHBondContact O-N 3Å; W283-I293 HydrophobicContact CB-CD1 3.74Å; W283-I293 HydrophobicContact CB-CG1 4.47Å
284	T	98.6	Very high	98.3	Very high	44 Å²	44	42.1 Å²	42.1	27%	0.27	23%	0.227	S	C	.	.	H	α-helix	trans	-64.9	-40.2	176.6	50.6	0	0	0	0	112.4	V280 K281 N286 R287 A290 I293	V280-T284 HydrophobicContact CG1-CG2 4.45Å; V280-T284 WeakPolarHBondContact O-CG2 3.3Å; V280-T284 PolarHBondContact O-N 3.02Å; V280-T284 PolarHBondContact O-OG1 3.48Å; K281-T284 WeakPolarHBondContact CA-OG1 3.42Å; K281-T284 PolarHBondContact O-OG1 2.77Å; T284-N286 PolarHBondContact O-N 2.99Å; T284-R287 PolarHBondContact O-N 3Å; T284-R287 VanDerWaalsContact O-N 3.11Å; T284-A290 HydrophobicContact CG2-CB 4.4Å; T284-I293 HydrophobicContact CG2-CD1 3.49Å; T284-I293 VanDerWaalsContact CG2-CD1 3.49Å
285	G	98.5	Very high	98.6	Very high	62 Å²	62	41.3 Å²	41.3	64%	0.639	22%	0.223	S	C	*	.	H	α-helix	trans	-62.4	-29.6	174.1	0	0	0	0	0	113.2	K281 Y282 R287	K281-G285 WeakPolarHBondContact O-CA 3.34Å; K281-G285 PolarHBondContact O-N 2.69Å; Y282-G285 PolarHBondContact O-N 3.33Å; G285-R287 VanDerWaalsContact C-N 3.27Å; G285-R287 PolarHBondContact O-N 3.15Å
286	N	98.6	Very high	98.6	Very high	58 Å²	58	41.2 Å²	41.2	31%	0.31	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	33.5	173.3	-71	-78.9	0	0	0	113.2	V231 P232 Y282 W283 T284 A288	V231-N286 HydrophobicContact CB-CB 3.82Å; V231-N286 HydrophobicContact CG1-CB 4.14Å; V231-N286 VanDerWaalsContact CG1-O 3.29Å; V231-N286 WeakPolarHBondContact CG1-O 3.49Å; V231-N286 HydrophobicContact CG2-CB 4.19Å; P232-N286 WeakPolarHBondContact CD-O 3.43Å; P232-N286 WeakPolarHBondContact CG-O 3.43Å; Y282-N286 WeakPolarHBondContact CE2-ND2 2.96Å; Y282-N286 WeakPolarHBondContact O-CB 3.32Å; Y282-N286 PolarHBondContact O-N 3.07Å; Y282-N286 PolarHBondContact O-ND2 2.71Å; W283-N286 CarbonylContact O-C 3.46Å; W283-N286 PolarHBondContact O-N 2.82Å; T284-N286 PolarHBondContact O-N 2.99Å; N286-A288 VanDerWaalsContact C-N 3.28Å; N286-A288 PolarHBondContact O-N 3.42Å
287	R	97.9	Very high	98.6	Very high	206 Å²	206	41.2 Å²	41.2	78%	0.777	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.8	15.6	171.4	-50.5	-177.4	179.6	-147.2	-0	115.9	T284 G285 P289	T284-R287 PolarHBondContact O-N 3Å; T284-R287 VanDerWaalsContact O-N 3.11Å; G285-R287 VanDerWaalsContact C-N 3.27Å; G285-R287 PolarHBondContact O-N 3.15Å; R287-P289 WeakPolarHBondContact O-CD 3.29Å
288	A	98.7	Very high	98.6	Very high	5 Å²	5	39.6 Å²	39.6	4%	0.041	22%	0.215	C	C	.	.			trans	-71.2	128.2	168	0	0	0	0	0	110.6	V231 I235 W283 N286 A290 I293	V231-A288 HydrophobicContact CG1-CB 3.71Å; I235-A288 HydrophobicContact CD1-CB 4.03Å; I235-A288 HydrophobicContact CG1-CB 3.96Å; W283-A288 HydrophobicContact CB-CB 4.29Å; W283-A288 HydrophobicContact CE3-CB 4.14Å; W283-A288 VanDerWaalsContact O-CB 3.24Å; W283-A288 WeakPolarHBondContact O-CB 3.48Å; W283-A288 PolarHBondContact O-N 3Å; N286-A288 VanDerWaalsContact C-N 3.28Å; N286-A288 PolarHBondContact O-N 3.42Å; A288-A290 PolarHBondContact O-N 2.82Å; A288-I293 HydrophobicContact CB-CD1 3.99Å; A288-I293 HydrophobicContact CB-CG1 4.32Å
289	P	98.4	Very high	98.6	Very high	58 Å²	58	35.8 Å²	35.8	38%	0.377	20%	0.2	S	C	.	.			trans	-60.5	129	172.9	-22.5	34.1	0	0	0	110.4	R287 A291 K292	R287-P289 WeakPolarHBondContact O-CD 3.29Å; P289-A291 PolarHBondContact O-N 2.98Å; P289-A291 VanDerWaalsContact O-N 3.16Å; P289-K292 HydrophobicContact CB-CG 4.46Å; P289-K292 PolarHBondContact O-N 3.39Å
290	A	98.4	Very high	98.6	Very high	32 Å²	32	35.7 Å²	35.7	26%	0.264	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-51.1	-41.5	179.3	0	0	0	0	0	112.2	T284 A288 K292 I293 G408 L409 G410	T284-A290 HydrophobicContact CG2-CB 4.4Å; A288-A290 PolarHBondContact O-N 2.82Å; A290-K292 PolarHBondContact O-N 3.46Å; A290-I293 PolarHBondContact O-N 3.42Å; A290-G408 VanDerWaalsContact CB-O 3.31Å; A290-G408 WeakPolarHBondContact CB-O 3.46Å; A290-L409 HydrophobicContact CB-CD2 4.06Å; A290-L409 CarbonylContact O-C 3.17Å; A290-L409 WeakPolarHBondContact O-CA 3.34Å; A290-G410 PolarHBondContact O-N 2.84Å
291	A	97.7	Very high	98.5	Very high	67 Å²	67	35.6 Å²	35.6	55%	0.554	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-61.9	-11.8	178.1	0	0	0	0	0	115.5	P289 G410	P289-A291 PolarHBondContact O-N 2.98Å; P289-A291 VanDerWaalsContact O-N 3.16Å; A291-G410 VanDerWaalsContact C-CA 3.49Å; A291-G410 WeakPolarHBondContact O-CA 3.32Å
292	K	98.5	Very high	98.5	Very high	49 Å²	49	32.7 Å²	32.7	21%	0.213	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-96.6	-13	172.9	-69.9	-166.8	176.6	-168.3	0	113.3	I235 L238 Y240 V241 P289 A290	I235-K292 HydrophobicContact CD1-CB 4.29Å; I235-K292 HydrophobicContact CD1-CD 3.98Å; I235-K292 HydrophobicContact CG1-CD 4.14Å; I235-K292 PolarHBondContact O-NZ 3.45Å; L238-K292 PolarHBondContact O-NZ 2.9Å; Y240-K292 CarbonylContact C-O 3.28Å; Y240-K292 VanDerWaalsContact CA-O 3.31Å; Y240-K292 WeakPolarHBondContact CA-O 3.32Å; V241-K292 PolarHBondContact N-O 2.86Å; P289-K292 HydrophobicContact CB-CG 4.46Å; P289-K292 PolarHBondContact O-N 3.39Å; A290-K292 PolarHBondContact O-N 3.46Å
293	I	98.8	Very high	98.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	126.8	-174.2	-60.7	169	0	0	0	109.2	V241 L243 W283 T284 A288 A290 L409 G410 G411	V241-I293 CarbonylContact O-C 3.56Å; V241-I293 WeakPolarHBondContact O-CA 2.93Å; L243-I293 HydrophobicContact CD1-CG2 3.6Å; L243-I293 HydrophobicContact CG-CG2 3.99Å; W283-I293 HydrophobicContact CB-CD1 3.74Å; W283-I293 HydrophobicContact CB-CG1 4.47Å; T284-I293 HydrophobicContact CG2-CD1 3.49Å; T284-I293 VanDerWaalsContact CG2-CD1 3.49Å; A288-I293 HydrophobicContact CB-CD1 3.99Å; A288-I293 HydrophobicContact CB-CG1 4.32Å; A290-I293 PolarHBondContact O-N 3.42Å; I293-L409 HydrophobicContact CB-CD2 4.37Å; I293-G410 WeakPolarHBondContact O-CA 3.35Å; I293-G410 PolarHBondContact O-N 3.25Å; I293-G411 PolarHBondContact O-N 2.92Å
294	N	98.9	Very high	98.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	143.3	173.2	-47.3	-50.5	0	0	0	110	H26 L28 V241 N242 L243 G411	H26-N294 PolarHBondContact ND1-OD1 2.83Å; L28-N294 HydrophobicContact CD1-CB 4.24Å; L28-N294 WeakPolarHBondContact CD1-ND2 3.33Å; V241-N294 PolarHBondContact O-N 3.48Å; N242-N294 WeakPolarHBondContact OD1-CB 3.4Å; N242-N294 PolarHBondContact OD1-ND2 3.34Å; L243-N294 PolarHBondContact N-O 3.35Å; N294-G411 CarbonylContact C-O 3.52Å; N294-G411 WeakPolarHBondContact CA-O 3.15Å; N294-G411 PolarHBondContact OD1-N 3.08Å
295	V	98.9	Very high	98.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	127.9	177.2	167.7	0	0	0	0	110.1	V276 V280 Y403 V404 L409 G411 I412 A413	V276-V295 HydrophobicContact CG1-CB 4.4Å; V276-V295 HydrophobicContact CG1-CG1 3.67Å; V276-V295 HydrophobicContact CG1-CG2 3.77Å; V276-V295 HydrophobicContact CG2-CG1 4.47Å; V280-V295 HydrophobicContact CG2-CG2 3.88Å; V295-Y403 HydrophobicContact CG2-CE1 4.31Å; V295-V404 HydrophobicContact CB-CG2 3.7Å; V295-V404 HydrophobicContact CG2-CG2 3.72Å; V295-L409 HydrophobicContact CG2-CD1 3.81Å; V295-G411 PolarHBondContact N-O 3.5Å; V295-I412 HydrophobicContact CB-CD1 3.93Å; V295-I412 HydrophobicContact CG1-CD1 4.24Å; V295-I412 WeakPolarHBondContact O-CA 3.41Å; V295-I412 WeakPolarHBondContact O-CD1 3.22Å; V295-A413 PolarHBondContact O-N 3.25Å
296	G	98.8	Very high	98.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	134.1	176.4	0	0	0	0	0	112.7	L243 T245 A413	L243-G296 WeakPolarHBondContact O-CA 3.47Å; L243-G296 PolarHBondContact O-N 3.42Å; T245-G296 PolarHBondContact OG1-O 2.94Å; G296-A413 CarbonylContact C-O 3.54Å; G296-A413 VanDerWaalsContact CA-O 3.26Å; G296-A413 WeakPolarHBondContact CA-O 3.47Å
297	I	98.8	Very high	98.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	116.5	173.5	-62.3	-175.8	0	0	0	108.3	E392 A397 K400 I412 A413 V415 I434 V438	I297-E392 HydrophobicContact CG2-CB 4.28Å; I297-E392 HydrophobicContact CG2-CG 3.92Å; I297-A397 HydrophobicContact CD1-CB 4.08Å; I297-A397 HydrophobicContact CG2-CB 4.13Å; I297-K400 HydrophobicContact CD1-CB 3.73Å; I297-K400 HydrophobicContact CD1-CD 4.18Å; I297-K400 HydrophobicContact CG1-CB 4.26Å; I297-K400 HydrophobicContact CG1-CD 3.91Å; I297-I412 HydrophobicContact CD1-CD1 3.87Å; I297-I412 HydrophobicContact CD1-CG2 3.84Å; I297-I412 HydrophobicContact CG1-CD1 4.23Å; I297-I412 HydrophobicContact CG1-CG2 4.06Å; I297-A413 PolarHBondContact N-O 2.91Å; I297-V415 PolarHBondContact O-N 2.97Å; I297-I434 HydrophobicContact CG2-CG2 4.37Å; I297-V438 HydrophobicContact CD1-CG2 3.73Å
298	A	98.4	Very high	98.4	Very high	5 Å²	5	22.6 Å²	22.6	4%	0.041	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	128.3	171.3	0	0	0	0	0	110.3	Y246 Y300 E392 V415	Y246-A298 HydrophobicContact CD1-CB 3.97Å; Y246-A298 HydrophobicContact CD2-CB 3.78Å; Y246-A298 HydrophobicContact CE1-CB 4.41Å; Y246-A298 HydrophobicContact CE2-CB 4.25Å; Y246-A298 HydrophobicContact CG-CB 3.63Å; A298-Y300 HydrophobicContact CB-CD1 4.12Å; A298-Y300 HydrophobicContact CB-CD2 4.38Å; A298-Y300 HydrophobicContact CB-CE1 3.73Å; A298-Y300 HydrophobicContact CB-CE2 3.99Å; A298-Y300 HydrophobicContact CB-CG 4.44Å; A298-Y300 PolarHBondContact O-N 2.81Å; A298-E392 VanDerWaalsContact O-CB 3.27Å; A298-E392 WeakPolarHBondContact O-CB 3.46Å; A298-E392 VanDerWaalsContact O-CG 3.26Å; A298-E392 WeakPolarHBondContact O-CG 3.47Å; A298-V415 CarbonylContact C-O 3.57Å; A298-V415 WeakPolarHBondContact CA-O 3.42Å
299	T	98.5	Very high	98.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.157	C	C	.	.	S	Bend	trans	-89.4	17.5	178	49.9	0	0	0	0	112.9	W339 V414 V415 D416 F419 D420 I434	T299-W339 WeakPolarHBondContact O-CB 3.17Å; T299-W339 PolarHBondContact O-N 2.82Å; T299-W339 VanDerWaalsContact O-N 3.09Å; T299-V414 HydrophobicContact CG2-CG1 3.41Å; T299-V414 VanDerWaalsContact CG2-CG1 3.41Å; T299-V415 PolarHBondContact N-O 3.46Å; T299-V415 PolarHBondContact OG1-O 3.18Å; T299-D416 PolarHBondContact OG1-N 3.36Å; T299-D416 VanDerWaalsContact OG1-N 3.15Å; T299-D416 PolarHBondContact OG1-O 3.42Å; T299-F419 CarbonylContact O-C 3.51Å; T299-F419 WeakPolarHBondContact OG1-CB 3.41Å; T299-D420 HydrophobicContact CG2-CB 4.06Å; T299-I434 HydrophobicContact CG2-CB 4.37Å; T299-I434 HydrophobicContact CG2-CD1 4.28Å; T299-I434 HydrophobicContact CG2-CG2 3.98Å
300	Y	98.3	Very high	98.2	Very high	23 Å²	23	26.5 Å²	26.5	9%	0.09	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	161.1	177.1	55.2	-93.1	0	0	0	109.9	Y246 D247 A298 L336 L337 V415 F419	Y246-Y300 VanDerWaalsContact CE2-OH 3.24Å; Y246-Y300 WeakPolarHBondContact CE2-OH 3.24Å; D247-Y300 PolarHBondContact OD2-OH 2.75Å; D247-Y300 VanDerWaalsContact OD2-OH 3.1Å; A298-Y300 HydrophobicContact CB-CD1 4.12Å; A298-Y300 HydrophobicContact CB-CD2 4.38Å; A298-Y300 HydrophobicContact CB-CE1 3.73Å; A298-Y300 HydrophobicContact CB-CE2 3.99Å; A298-Y300 HydrophobicContact CB-CG 4.44Å; A298-Y300 PolarHBondContact O-N 2.81Å; Y300-L336 HydrophobicContact CD1-CD1 4.45Å; Y300-L336 HydrophobicContact CD2-CD1 3.7Å; Y300-L336 HydrophobicContact CD2-CG 3.81Å; Y300-L336 HydrophobicContact CE2-CD1 3.99Å; Y300-L336 HydrophobicContact CG-CD1 3.95Å; Y300-L336 HydrophobicContact CG-CD2 4.24Å; Y300-L336 HydrophobicContact CG-CG 4Å; Y300-L337 CarbonylContact C-O 3.52Å; Y300-L337 VanDerWaalsContact CA-O 3.24Å; Y300-L337 WeakPolarHBondContact CA-O 3.27Å; Y300-L337 WeakPolarHBondContact CB-O 3.38Å; Y300-V415 WeakPolarHBondContact CE1-O 3.21Å; Y300-F419 HydrophobicContact CD1-CB 4.28Å; Y300-F419 AromaticContact CD1-CD2 3.51Å; Y300-F419 HydrophobicContact CD1-CD2 3.51Å; Y300-F419 HydrophobicContact CD1-CE2 4.06Å; Y300-F419 HydrophobicContact CD1-CG 4.1Å; Y300-F419 HydrophobicContact CE1-CD2 4.17Å; Y300-F419 HydrophobicContact CE1-CE2 4.45Å; Y300-F419 HydrophobicContact CG-CD2 4.31Å
301	G	98.5	Very high	98.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	154.7	169.9	0	0	0	0	0	112.7	L336 L337 G390	G301-L336 WeakPolarHBondContact O-CA 2.91Å; G301-L337 PolarHBondContact N-O 3.08Å; G301-L337 PolarHBondContact O-N 3Å; G301-G390 CarbonylContact C-O 3.57Å; G301-G390 WeakPolarHBondContact CA-O 3.5Å
302	R	98.7	Very high	97.9	Very high	35 Å²	35	29.7 Å²	29.7	13%	0.132	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	129	168.2	-67.8	-65.3	-177.4	-174.7	-5.9	109	D247 T250 P261 W304 G335 V389 G390	D247-R302 VanDerWaalsContact CG-NE 3.33Å; D247-R302 WeakPolarHBondContact OD1-CG 3.32Å; D247-R302 IonicContact OD1-CZ 3.65Å; D247-R302 IonicContact OD1-NE 3.1Å; D247-R302 PolarHBondContact OD1-NE 3.03Å; D247-R302 IonicContact OD1-NH2 2.69Å; D247-R302 IonicContact OD2-CZ 2.78Å; D247-R302 IonicContact OD2-NE 3.6Å; D247-R302 PolarHBondContact OD2-NE 3.29Å; D247-R302 IonicContact OD2-NH2 3.89Å; D247-R302 PolarHBondContact OD2-NH2 3.46Å; T250-R302 HydrophobicContact CG2-CG 4.05Å; P261-R302 HydrophobicContact CB-CB 4.36Å; P261-R302 HydrophobicContact CB-CG 4.22Å; R302-W304 HydrophobicContact CB-CE3 4.48Å; R302-W304 HydrophobicContact CB-CH2 3.89Å; R302-W304 HydrophobicContact CB-CZ3 3.58Å; R302-W304 WeakPolarHBondContact O-CZ3 3.13Å; R302-G335 WeakPolarHBondContact CA-O 3.29Å; R302-V389 VanDerWaalsContact O-CA 3.31Å; R302-V389 WeakPolarHBondContact O-CA 2.95Å; R302-V389 WeakPolarHBondContact O-CG2 3.22Å; R302-G390 PolarHBondContact N-O 2.89Å; R302-G390 PolarHBondContact O-N 3.17Å
303	A	98.7	Very high	97.6	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	127.3	-168.5	0	0	0	0	0	112.3	P251 A325 G335 L337 W388 V389	P251-A303 WeakPolarHBondContact CG-O 3.2Å; A303-A325 HydrophobicContact CB-CB 3.56Å; A303-A325 WeakPolarHBondContact O-CB 2.9Å; A303-A325 PolarHBondContact O-N 2.85Å; A303-G335 PolarHBondContact N-O 3.42Å; A303-G335 WeakPolarHBondContact O-CA 3.18Å; A303-L337 HydrophobicContact CB-CD1 4.02Å; A303-L337 HydrophobicContact CB-CG 4.16Å; A303-W388 CarbonylContact C-O 3.48Å; A303-W388 VanDerWaalsContact CA-O 3.22Å; A303-W388 WeakPolarHBondContact CA-O 3.41Å; A303-V389 HydrophobicContact CB-CB 4.04Å; A303-V389 HydrophobicContact CB-CG2 4.07Å
304	W	98.6	Very high	97.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	145	177.4	-72.4	-110.3	0	0	0	110.4	Q249 T250 P251 N254 V257 A258 R302 A321 G323 V387 W388	Q249-W304 HydrophobicContact CB-CH2 4.44Å; Q249-W304 HydrophobicContact CB-CZ2 4.41Å; T250-W304 VanDerWaalsContact CA-CZ2 3.41Å; P251-W304 VanDerWaalsContact CA-NE1 3.32Å; P251-W304 HydrophobicContact CB-CD2 4.05Å; P251-W304 HydrophobicContact CB-CG 4Å; P251-W304 HydrophobicContact CG-CD2 4.41Å; P251-W304 VanDerWaalsContact N-CZ2 3.29Å; N254-W304 PolarHBondContact O-NE1 2.92Å; V257-W304 PolarHBondContact O-NE1 3.48Å; A258-W304 HydrophobicContact CB-CB 3.86Å; A258-W304 HydrophobicContact CB-CD2 3.6Å; A258-W304 HydrophobicContact CB-CE3 3.99Å; A258-W304 HydrophobicContact CB-CG 3.55Å; R302-W304 HydrophobicContact CB-CE3 4.48Å; R302-W304 HydrophobicContact CB-CH2 3.89Å; R302-W304 HydrophobicContact CB-CZ3 3.58Å; R302-W304 WeakPolarHBondContact O-CZ3 3.13Å; W304-A321 HydrophobicContact CB-CB 4.18Å; W304-A321 HydrophobicContact CG-CB 4.38Å; W304-G323 VanDerWaalsContact CA-O 3.26Å; W304-G323 WeakPolarHBondContact CA-O 3.24Å; W304-V387 WeakPolarHBondContact O-CA 3.5Å; W304-W388 AromaticContact CE3-CE3 3.65Å; W304-W388 HydrophobicContact CE3-CE3 3.65Å; W304-W388 AromaticContact CE3-CZ3 3.93Å; W304-W388 HydrophobicContact CE3-CZ3 3.93Å; W304-W388 HydrophobicContact CH2-CZ3 4.41Å; W304-W388 AromaticContact CZ3-CE3 3.87Å; W304-W388 HydrophobicContact CZ3-CE3 3.87Å; W304-W388 AromaticContact CZ3-CZ3 3.63Å; W304-W388 HydrophobicContact CZ3-CZ3 3.63Å; W304-W388 PolarHBondContact N-O 3.5Å; W304-W388 PolarHBondContact O-N 3.37Å
305	K	98.5	Very high	97.2	Very high	54 Å²	54	37.6 Å²	37.6	24%	0.235	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	133.1	163.5	-175.5	-177.1	171.7	-157.7	0	108.6	A321 D322 G323	K305-A321 CarbonylContact O-C 3.55Å; K305-A321 WeakPolarHBondContact O-CA 3.41Å; K305-D322 HydrophobicContact CB-CB 4.37Å; K305-D322 HydrophobicContact CD-CB 4.11Å; K305-D322 HydrophobicContact CG-CB 4.32Å; K305-D322 IonicContact NZ-OD2 2.81Å; K305-D322 PolarHBondContact NZ-OD2 2.89Å; K305-D322 PolarHBondContact O-N 3.19Å; K305-G323 PolarHBondContact N-O 3.35Å
306	L	98.4	Very high	97	Very high	1 Å²	1	38 Å²	38	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	148.7	172.8	-61.5	-173.6	0	0	0	110.5	V318 A321 G386 W388	L306-V318 HydrophobicContact CD1-CG1 4.5Å; L306-V318 HydrophobicContact CD2-CB 4.48Å; L306-V318 HydrophobicContact CD2-CG1 3.75Å; L306-A321 HydrophobicContact CD2-CB 4.24Å; L306-G386 PolarHBondContact N-O 3.27Å; L306-W388 HydrophobicContact CD1-CB 3.98Å; L306-W388 HydrophobicContact CD2-CB 3.84Å; L306-W388 HydrophobicContact CG-CB 3.94Å
307	T	97.3	Very high	96.8	Very high	30 Å²	30	40.4 Å²	40.4	18%	0.184	22%	0.22	C	C	.	.			trans	-105.9	179.7	175.2	69.3	0	0	0	0	110.4	D309 S310 E320 D322 A379	T307-D309 PolarHBondContact O-N 3.17Å; T307-D309 PolarHBondContact OG1-N 3.27Å; T307-S310 PolarHBondContact N-OG 3.31Å; T307-S310 WeakPolarHBondContact O-CB 3.36Å; T307-S310 PolarHBondContact O-N 3.49Å; T307-S310 PolarHBondContact O-OG 3.14Å; T307-S310 PolarHBondContact OG1-N 3.01Å; T307-S310 PolarHBondContact OG1-OG 2.72Å; T307-E320 WeakPolarHBondContact CG2-O 3.16Å; T307-E320 PolarHBondContact OG1-O 2.89Å; T307-D322 HydrophobicContact CG2-CB 3.65Å; T307-A379 WeakPolarHBondContact O-CB 3.4Å
308	K	96.3	Very high	96.7	Very high	116 Å²	116	40.7 Å²	40.7	50%	0.504	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-60.4	-36.9	170.3	-68.5	-171.3	179.4	175.6	0	112	S310 G311 D380 D381 G383	K308-S310 PolarHBondContact O-N 3.03Å; K308-G311 PolarHBondContact O-N 2.93Å; K308-D380 WeakPolarHBondContact CE-O 3.33Å; K308-D381 WeakPolarHBondContact CE-O 3.4Å; K308-D381 PolarHBondContact NZ-O 3.5Å; K308-G383 VanDerWaalsContact CE-N 3.28Å
309	D	96.5	Very high	96.6	Very high	131 Å²	131	42 Å²	42	70%	0.701	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-75.6	-12.7	-175.2	-59.6	-37.3	0	0	0	112	T307 G311 E320	T307-D309 PolarHBondContact O-N 3.17Å; T307-D309 PolarHBondContact OG1-N 3.27Å; D309-G311 PolarHBondContact O-N 2.57Å; D309-E320 HydrophobicContact CB-CB 3.81Å; D309-E320 HydrophobicContact CB-CG 3.84Å
310	S	97.3	Very high	96.4	Very high	14 Å²	14	47.1 Å²	47.1	10%	0.098	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-66.9	-16.5	170.3	-51.2	0	0	0	0	114	T307 K308 A319 E320	T307-S310 PolarHBondContact N-OG 3.31Å; T307-S310 WeakPolarHBondContact O-CB 3.36Å; T307-S310 PolarHBondContact O-N 3.49Å; T307-S310 PolarHBondContact O-OG 3.14Å; T307-S310 PolarHBondContact OG1-N 3.01Å; T307-S310 PolarHBondContact OG1-OG 2.72Å; K308-S310 PolarHBondContact O-N 3.03Å; S310-A319 WeakPolarHBondContact CA-O 3.47Å; S310-A319 WeakPolarHBondContact CB-O 3.34Å; S310-A319 PolarHBondContact OG-O 3.15Å; S310-E320 PolarHBondContact OG-O 3.43Å
311	G	94.8	Very high	96.4	Very high	30 Å²	30	46.4 Å²	46.4	31%	0.309	26%	0.255	S	S	.	.			trans	75.1	-165.4	178.9	0	0	0	0	0	115.4	K308 D309 S378	K308-G311 PolarHBondContact O-N 2.93Å; D309-G311 PolarHBondContact O-N 2.57Å; G311-S378 WeakPolarHBondContact O-CB 3.43Å; G311-S378 PolarHBondContact O-OG 2.87Å
312	L	95	Very high	96.3	Very high	136 Å²	136	50.5 Å²	50.5	71%	0.712	28%	0.277	S	S	*	.	S	Bend	trans	-108.1	-11.7	-163.6	-59.4	-178.9	0	0	0	115.9	Y376 S378	L312-Y376 VanDerWaalsContact O-CE2 3.26Å; L312-Y376 WeakPolarHBondContact O-CE2 3.43Å; L312-Y376 PolarHBondContact O-OH 3.22Å; L312-S378 VanDerWaalsContact CA-OG 3.3Å; L312-S378 WeakPolarHBondContact CA-OG 3.15Å
313	T	91	Very high	96.2	Very high	97 Å²	97	49.4 Å²	49.4	60%	0.595	28%	0.277	S	S	*	.	S	Bend	trans	-96.1	-20.3	-167.3	63.5	0	0	0	0	113.7	L315 Y376	T313-L315 PolarHBondContact O-N 3.05Å; T313-Y376 WeakPolarHBondContact O-CE1 3.47Å; T313-Y376 VanDerWaalsContact O-CZ 3.23Å; T313-Y376 PolarHBondContact O-OH 2.62Å
314	G	94.2	Very high	96.2	Very high	2 Å²	2	52.3 Å²	52.3	2%	0.021	29%	0.294	C	S	.	.			trans	56.9	11.1	-175.4	0	0	0	0	0	114.3	P316 V318 Y374 W388	G314-P316 VanDerWaalsContact O-CD 3.28Å; G314-P316 WeakPolarHBondContact O-CD 3.38Å; G314-V318 VanDerWaalsContact C-CG2 3.44Å; G314-V318 WeakPolarHBondContact O-CG2 3.07Å; G314-Y374 WeakPolarHBondContact O-CE2 3.42Å; G314-W388 PolarHBondContact O-NE1 3Å
315	L	95	Very high	96.2	Very high	115 Å²	115	52.4 Å²	52.4	60%	0.602	30%	0.295	S	S	*	.	P	Polyproline II helix	trans	-71.9	118.1	-175.9	178.7	68.9	0	0	0	109.5	T313 P317	T313-L315 PolarHBondContact O-N 3.05Å; L315-P317 CarbonylContact O-C 3.57Å
316	P	95.1	Very high	96.1	Very high	9 Å²	9	54.2 Å²	54.2	6%	0.058	31%	0.312	C	S	.	.	S	Bend	trans	-70.3	143	-179.2	26.7	-35.3	0	0	0	113.2	D259 F260 R270 G314 Y374 W388	D259-P316 WeakPolarHBondContact OD1-CB 3.34Å; F260-P316 HydrophobicContact CD2-CB 4.28Å; F260-P316 HydrophobicContact CD2-CG 3.84Å; F260-P316 HydrophobicContact CE1-CG 4.29Å; F260-P316 HydrophobicContact CE2-CB 4.13Å; F260-P316 HydrophobicContact CE2-CG 3.23Å; F260-P316 HydrophobicContact CZ-CG 3.5Å; F260-P316 VanDerWaalsContact CZ-CG 3.5Å; R270-P316 VanDerWaalsContact NH2-C 3.33Å; R270-P316 PolarHBondContact NH2-O 3.37Å; G314-P316 VanDerWaalsContact O-CD 3.28Å; G314-P316 WeakPolarHBondContact O-CD 3.38Å; P316-Y374 HydrophobicContact CG-CD1 4.44Å; P316-Y374 HydrophobicContact CG-CE1 4.23Å; P316-W388 HydrophobicContact CB-CZ2 3.98Å; P316-W388 HydrophobicContact CG-CZ2 4.05Å
317	P	95.7	Very high	96	Very high	51 Å²	51	55.7 Å²	55.7	33%	0.331	33%	0.325	S	S	.	.	S	Bend	cis	-78.6	131.3	3.1	31.1	-22.8	0	0	0	110.6	V165 V257 A258 D259 L315	V165-P317 HydrophobicContact CG1-CB 4.19Å; V165-P317 HydrophobicContact CG1-CG 4.14Å; V257-P317 HydrophobicContact CG1-CB 3.57Å; A258-P317 CarbonylContact O-C 3.2Å; A258-P317 WeakPolarHBondContact O-CA 3.36Å; D259-P317 HydrophobicContact CB-CB 4.39Å; L315-P317 CarbonylContact O-C 3.57Å
318	V	96.3	Very high	95.9	Very high	6 Å²	6	54.4 Å²	54.4	4%	0.036	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-90.9	108.8	177.5	-173.5	0	0	0	0	107.8	V257 A258 L306 G314 W388	V257-V318 VanDerWaalsContact CA-O 3.29Å; V257-V318 WeakPolarHBondContact CA-O 3.36Å; A258-V318 HydrophobicContact CB-CB 4.17Å; A258-V318 PolarHBondContact N-O 3.36Å; A258-V318 PolarHBondContact O-N 3.21Å; L306-V318 HydrophobicContact CD1-CG1 4.5Å; L306-V318 HydrophobicContact CD2-CB 4.48Å; L306-V318 HydrophobicContact CD2-CG1 3.75Å; G314-V318 VanDerWaalsContact C-CG2 3.44Å; G314-V318 WeakPolarHBondContact O-CG2 3.07Å; V318-W388 HydrophobicContact CG2-CG 4.4Å
319	A	95.3	Very high	95.8	Very high	33 Å²	33	54.7 Å²	54.7	27%	0.273	33%	0.329	S	S	.	.			trans	-74	169.5	176.8	0	0	0	0	0	111.9	E256 S310 A321	E256-A319 CarbonylContact O-C 3.55Å; S310-A319 WeakPolarHBondContact CA-O 3.47Å; S310-A319 WeakPolarHBondContact CB-O 3.34Å; S310-A319 PolarHBondContact OG-O 3.15Å; A319-A321 PolarHBondContact O-N 3.46Å
320	E	95.7	Very high	95.7	Very high	107 Å²	107	50.1 Å²	50.1	50%	0.5	30%	0.303	S	S	.	.	S	Bend	trans	56.4	31.7	177.1	-50.6	-58.2	147.9	0	0	113	E256 T307 D309 S310	E256-E320 PolarHBondContact O-N 2.66Å; E256-E320 VanDerWaalsContact O-N 3.07Å; T307-E320 WeakPolarHBondContact CG2-O 3.16Å; T307-E320 PolarHBondContact OG1-O 2.89Å; D309-E320 HydrophobicContact CB-CB 3.81Å; D309-E320 HydrophobicContact CB-CG 3.84Å; S310-E320 PolarHBondContact OG-O 3.43Å
321	A	97.1	Very high	95.5	Very high	8 Å²	8	50.2 Å²	50.2	7%	0.066	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	155.7	165.3	0	0	0	0	0	109.9	N255 E256 W304 K305 L306 A319	N255-A321 CarbonylContact O-C 3.59Å; N255-A321 WeakPolarHBondContact O-CB 3.48Å; N255-A321 VanDerWaalsContact O-O 3.09Å; E256-A321 WeakPolarHBondContact CA-O 3.43Å; E256-A321 PolarHBondContact O-N 3.06Å; W304-A321 HydrophobicContact CB-CB 4.18Å; W304-A321 HydrophobicContact CG-CB 4.38Å; K305-A321 CarbonylContact O-C 3.55Å; K305-A321 WeakPolarHBondContact O-CA 3.41Å; L306-A321 HydrophobicContact CD2-CB 4.24Å; A319-A321 PolarHBondContact O-N 3.46Å
322	D	96.7	Very high	95.6	Very high	85 Å²	85	54.8 Å²	54.8	46%	0.455	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	55	-173.8	-176.4	31.5	0	0	0	111	K305 T307	K305-D322 HydrophobicContact CB-CB 4.37Å; K305-D322 HydrophobicContact CD-CB 4.11Å; K305-D322 HydrophobicContact CG-CB 4.32Å; K305-D322 IonicContact NZ-OD2 2.81Å; K305-D322 PolarHBondContact NZ-OD2 2.89Å; K305-D322 PolarHBondContact O-N 3.19Å; T307-D322 HydrophobicContact CG2-CB 3.65Å
323	G	96.8	Very high	95.6	Very high	12 Å²	12	51.4 Å²	51.4	12%	0.124	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	71.3	-148.5	176.1	0	0	0	0	0	114.5	N255 W304 K305	N255-G323 PolarHBondContact O-N 3.39Å; W304-G323 VanDerWaalsContact CA-O 3.26Å; W304-G323 WeakPolarHBondContact CA-O 3.24Å; K305-G323 PolarHBondContact N-O 3.35Å
324	V	98.5	Very high	96	Very high	61 Å²	61	50.1 Å²	50.1	37%	0.37	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	134.6	-172.4	-63.7	0	0	0	0	111.2	P251 E252 P334	P251-V324 HydrophobicContact CB-CB 4.4Å; P251-V324 HydrophobicContact CB-CG1 3.83Å; P251-V324 HydrophobicContact CG-CB 4.47Å; P251-V324 HydrophobicContact CG-CG1 3.83Å; E252-V324 HydrophobicContact CG-CG1 4.36Å; V324-P334 HydrophobicContact CB-CB 4.29Å; V324-P334 HydrophobicContact CG2-CB 3.91Å
325	A	98.3	Very high	96.2	Very high	2 Å²	2	50 Å²	50	2%	0.017	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-66	156.6	168.4	0	0	0	0	0	110.9	A303 G335 V387	A303-A325 HydrophobicContact CB-CB 3.56Å; A303-A325 WeakPolarHBondContact O-CB 2.9Å; A303-A325 PolarHBondContact O-N 2.85Å; A325-G335 PolarHBondContact O-N 2.96Å; A325-V387 HydrophobicContact CB-CG1 4.21Å
326	P	97	Very high	96.3	Very high	92 Å²	92	45 Å²	45	60%	0.597	27%	0.265	S	S	*	.	P	Polyproline II helix	trans	-53	146.1	170.4	-25.9	34.9	0	0	0	112.2
327	A	97	Very high	96.5	Very high	33 Å²	33	44.7 Å²	44.7	27%	0.273	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-60.3	148.7	178.9	0	0	0	0	0	112.3	P334	A327-P334 HydrophobicContact CB-CG 4.22Å
328	G	95.3	Very high	96.6	Very high	2 Å²	2	42.5 Å²	42.5	2%	0.021	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-72	165.3	168.3	0	0	0	0	0	112.2	Q330 Q332 E341	G328-Q330 VanDerWaalsContact C-N 3.29Å; G328-Q330 PolarHBondContact O-N 2.7Å; G328-Q332 PolarHBondContact O-N 2.82Å; G328-Q332 PolarHBondContact O-NE2 3.1Å; G328-E341 WeakPolarHBondContact CA-OE1 3.28Å
329	T	93	Very high	96.7	Very high	122 Å²	122	43 Å²	43	75%	0.748	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-18.6	-174.6	53.5	0	0	0	0	113.8	Q332 E341	T329-Q332 PolarHBondContact O-NE2 3.43Å; T329-E341 PolarHBondContact N-OE1 3.32Å
330	Q	94.6	Very high	96.8	Very high	35 Å²	35	41.9 Å²	41.9	16%	0.164	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-55.4	-174.2	-52.9	-170.4	28.9	0	0	111.7	L41 S42 G328 E341	L41-Q330 HydrophobicContact CB-CG 4.08Å; S42-Q330 WeakPolarHBondContact CB-O 3.28Å; S42-Q330 PolarHBondContact OG-O 2.68Å; G328-Q330 VanDerWaalsContact C-N 3.29Å; G328-Q330 PolarHBondContact O-N 2.7Å; Q330-E341 WeakPolarHBondContact CA-OE1 3.43Å; Q330-E341 HydrophobicContact CB-CG 4.01Å; Q330-E341 WeakPolarHBondContact CB-OE1 3.47Å; Q330-E341 HydrophobicContact CG-CG 3.95Å; Q330-E341 PolarHBondContact N-OE1 2.96Å
331	T	94.3	Very high	96.9	Very high	16 Å²	16	37 Å²	37	10%	0.098	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-29.1	-175.6	60	0	0	0	0	112	I333 E341 F419	T331-I333 PolarHBondContact O-N 3.47Å; T331-E341 WeakPolarHBondContact CG2-OE2 3.37Å; T331-E341 PolarHBondContact N-OE1 2.82Å; T331-E341 PolarHBondContact OG1-OE1 2.73Å; T331-E341 VanDerWaalsContact OG1-OE1 3.13Å; T331-E341 PolarHBondContact OG1-OE2 2.93Å; T331-F419 HydrophobicContact CG2-CD1 3.77Å; T331-F419 HydrophobicContact CG2-CE1 3.58Å
332	Q	95.6	Very high	97	Very high	127 Å²	127	36.7 Å²	36.7	59%	0.593	21%	0.214	S	C	*	.			trans	58.1	28.9	-176.5	-60.9	-69.2	-36.1	0	0	113.2	G328 T329	G328-Q332 PolarHBondContact O-N 2.82Å; G328-Q332 PolarHBondContact O-NE2 3.1Å; T329-Q332 PolarHBondContact O-NE2 3.43Å
333	I	96.2	Very high	97	Very high	64 Å²	64	33.7 Å²	33.7	33%	0.328	20%	0.2	S	C	.	.			trans	-104.9	114.5	177.3	-56.5	174.3	0	0	0	109.2	T331 G335 L336 F419	T331-I333 PolarHBondContact O-N 3.47Å; I333-G335 PolarHBondContact O-N 3.4Å; I333-L336 HydrophobicContact CB-CB 4.2Å; I333-L336 HydrophobicContact CD1-CD2 4.47Å; I333-L336 HydrophobicContact CG2-CB 3.82Å; I333-L336 PolarHBondContact O-N 2.7Å; I333-F419 HydrophobicContact CD1-CE1 4.44Å; I333-F419 HydrophobicContact CD1-CZ 4.26Å
334	P	98.2	Very high	97	Very high	70 Å²	70	35.7 Å²	35.7	46%	0.455	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	139	173.3	-24.4	34.7	0	0	0	111.5	V324 A327 L336	V324-P334 HydrophobicContact CB-CB 4.29Å; V324-P334 HydrophobicContact CG2-CB 3.91Å; A327-P334 HydrophobicContact CB-CG 4.22Å; P334-L336 PolarHBondContact O-N 3.34Å; P334-L336 VanDerWaalsContact O-N 3.16Å
335	G	98.3	Very high	96.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	-4.7	178.1	0	0	0	0	0	116.4	R302 A303 A325 I333	R302-G335 WeakPolarHBondContact CA-O 3.29Å; A303-G335 PolarHBondContact N-O 3.42Å; A303-G335 WeakPolarHBondContact O-CA 3.18Å; A325-G335 PolarHBondContact O-N 2.96Å; I333-G335 PolarHBondContact O-N 3.4Å
336	L	98.3	Very high	96.9	Very high	11 Å²	11	36.5 Å²	36.5	6%	0.058	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	127.5	174	-175.2	154.4	0	0	0	109.8	Y300 G301 I333 P334 F419	Y300-L336 HydrophobicContact CD1-CD1 4.45Å; Y300-L336 HydrophobicContact CD2-CD1 3.7Å; Y300-L336 HydrophobicContact CD2-CG 3.81Å; Y300-L336 HydrophobicContact CE2-CD1 3.99Å; Y300-L336 HydrophobicContact CG-CD1 3.95Å; Y300-L336 HydrophobicContact CG-CD2 4.24Å; Y300-L336 HydrophobicContact CG-CG 4Å; G301-L336 WeakPolarHBondContact O-CA 2.91Å; I333-L336 HydrophobicContact CB-CB 4.2Å; I333-L336 HydrophobicContact CD1-CD2 4.47Å; I333-L336 HydrophobicContact CG2-CB 3.82Å; I333-L336 PolarHBondContact O-N 2.7Å; P334-L336 PolarHBondContact O-N 3.34Å; P334-L336 VanDerWaalsContact O-N 3.16Å; L336-F419 HydrophobicContact CD1-CZ 4.38Å; L336-F419 HydrophobicContact CD2-CD1 4.16Å; L336-F419 HydrophobicContact CD2-CE1 3.74Å; L336-F419 HydrophobicContact CD2-CZ 3.93Å
337	L	98.5	Very high	96.9	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	120.7	174.3	-61.5	178.4	0	0	0	109.1	Y300 G301 A303 E341 V342 K345 V389	Y300-L337 CarbonylContact C-O 3.52Å; Y300-L337 VanDerWaalsContact CA-O 3.24Å; Y300-L337 WeakPolarHBondContact CA-O 3.27Å; Y300-L337 WeakPolarHBondContact CB-O 3.38Å; G301-L337 PolarHBondContact N-O 3.08Å; G301-L337 PolarHBondContact O-N 3Å; A303-L337 HydrophobicContact CB-CD1 4.02Å; A303-L337 HydrophobicContact CB-CG 4.16Å; L337-E341 HydrophobicContact CB-CB 4.09Å; L337-E341 HydrophobicContact CD2-CB 4.2Å; L337-V342 HydrophobicContact CB-CG2 3.6Å; L337-V342 HydrophobicContact CD1-CG2 4.4Å; L337-K345 HydrophobicContact CD1-CD 4.05Å; L337-V389 HydrophobicContact CD1-CG2 4.26Å
338	S	98.1	Very high	96.8	Very high	4 Å²	4	36.8 Å²	36.8	3%	0.028	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	159.5	168.8	60.2	0	0	0	0	111.4	P340 E341 V342	S338-P340 VanDerWaalsContact C-N 3.34Å; S338-E341 WeakPolarHBondContact CB-OE2 3.31Å; S338-E341 PolarHBondContact N-OE2 3.28Å; S338-E341 WeakPolarHBondContact O-CB 3.3Å; S338-E341 PolarHBondContact O-N 2.85Å; S338-E341 VanDerWaalsContact OG-CD 3.26Å; S338-E341 VanDerWaalsContact OG-CG 3.26Å; S338-E341 WeakPolarHBondContact OG-CG 3.27Å; S338-E341 PolarHBondContact OG-N 2.92Å; S338-E341 PolarHBondContact OG-OE2 3.18Å; S338-V342 PolarHBondContact O-N 3.21Å
339	W	98.1	Very high	96.7	Very high	17 Å²	17	41.8 Å²	41.8	6%	0.064	24%	0.242	C	C	.	.	H	α-helix	trans	-52.6	-45.2	176.3	170.2	-121.1	0	0	0	113.1	T299 E341 V342 C343 L346 Y391 D393 P394 F419 I434	T299-W339 WeakPolarHBondContact O-CB 3.17Å; T299-W339 PolarHBondContact O-N 2.82Å; T299-W339 VanDerWaalsContact O-N 3.09Å; W339-E341 VanDerWaalsContact C-N 3.31Å; W339-E341 PolarHBondContact O-N 3.24Å; W339-V342 HydrophobicContact CE3-CB 4.24Å; W339-V342 HydrophobicContact CE3-CG1 4.38Å; W339-V342 HydrophobicContact CZ3-CB 4.48Å; W339-V342 HydrophobicContact CZ3-CG1 4.17Å; W339-V342 PolarHBondContact O-N 3.09Å; W339-C343 HydrophobicContact CD2-CB 4.34Å; W339-C343 HydrophobicContact CE3-CB 4.41Å; W339-C343 HydrophobicContact CH2-CB 3.85Å; W339-C343 HydrophobicContact CZ2-CB 3.77Å; W339-C343 HydrophobicContact CZ3-CB 4.17Å; W339-C343 WeakPolarHBondContact O-CB 3.42Å; W339-C343 PolarHBondContact O-N 2.95Å; W339-L346 HydrophobicContact CH2-CD1 4.39Å; W339-Y391 HydrophobicContact CE3-CD2 4.24Å; W339-Y391 AromaticContact CZ3-CD2 3.8Å; W339-Y391 HydrophobicContact CZ3-CD2 3.8Å; W339-Y391 AromaticContact CZ3-CE2 3.73Å; W339-Y391 HydrophobicContact CZ3-CE2 3.73Å; W339-D393 HydrophobicContact CE3-CB 4.22Å; W339-D393 HydrophobicContact CH2-CB 3.49Å; W339-D393 VanDerWaalsContact CH2-CB 3.49Å; W339-D393 HydrophobicContact CZ2-CB 4.23Å; W339-D393 HydrophobicContact CZ3-CB 3.49Å; W339-D393 VanDerWaalsContact CZ3-CB 3.49Å; W339-P394 HydrophobicContact CZ2-CG 4.22Å; W339-F419 WeakPolarHBondContact CB-O 3.35Å; W339-F419 PolarHBondContact N-O 3.38Å; W339-I434 HydrophobicContact CB-CD1 3.77Å; W339-I434 HydrophobicContact CD2-CD1 4.15Å; W339-I434 HydrophobicContact CG-CD1 3.71Å; W339-I434 HydrophobicContact CG-CG1 4.34Å
340	P	97.7	Very high	96.7	Very high	10 Å²	10	39.4 Å²	39.4	7%	0.065	24%	0.235	C	C	.	.	H	α-helix	trans	-55.4	-39.2	171.8	-28.8	35.7	0	0	0	114.9	S338 A344 F419 D421	S338-P340 VanDerWaalsContact C-N 3.34Å; P340-A344 WeakPolarHBondContact O-CB 3.44Å; P340-A344 PolarHBondContact O-N 2.84Å; P340-F419 WeakPolarHBondContact CD-O 3.26Å; P340-D421 HydrophobicContact CG-CB 3.78Å
341	E	97.6	Very high	96.8	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.019	23%	0.229	C	C	.	.	H	α-helix	trans	-72.3	-37.6	178.9	-71.1	167.9	137.3	0	0	112.1	G328 T329 Q330 T331 L337 S338 W339 K345	G328-E341 WeakPolarHBondContact CA-OE1 3.28Å; T329-E341 PolarHBondContact N-OE1 3.32Å; Q330-E341 WeakPolarHBondContact CA-OE1 3.43Å; Q330-E341 HydrophobicContact CB-CG 4.01Å; Q330-E341 WeakPolarHBondContact CB-OE1 3.47Å; Q330-E341 HydrophobicContact CG-CG 3.95Å; Q330-E341 PolarHBondContact N-OE1 2.96Å; T331-E341 WeakPolarHBondContact CG2-OE2 3.37Å; T331-E341 PolarHBondContact N-OE1 2.82Å; T331-E341 PolarHBondContact OG1-OE1 2.73Å; T331-E341 VanDerWaalsContact OG1-OE1 3.13Å; T331-E341 PolarHBondContact OG1-OE2 2.93Å; L337-E341 HydrophobicContact CB-CB 4.09Å; L337-E341 HydrophobicContact CD2-CB 4.2Å; S338-E341 WeakPolarHBondContact CB-OE2 3.31Å; S338-E341 PolarHBondContact N-OE2 3.28Å; S338-E341 WeakPolarHBondContact O-CB 3.3Å; S338-E341 PolarHBondContact O-N 2.85Å; S338-E341 VanDerWaalsContact OG-CD 3.26Å; S338-E341 VanDerWaalsContact OG-CG 3.26Å; S338-E341 WeakPolarHBondContact OG-CG 3.27Å; S338-E341 PolarHBondContact OG-N 2.92Å; S338-E341 PolarHBondContact OG-OE2 3.18Å; W339-E341 VanDerWaalsContact C-N 3.31Å; W339-E341 PolarHBondContact O-N 3.24Å; E341-K345 WeakPolarHBondContact O-CG 3.43Å; E341-K345 PolarHBondContact O-N 2.79Å
342	V	98.1	Very high	96.8	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.006	26%	0.256	C	S	.	.	H	α-helix	trans	-64.2	-53.6	172.7	176.4	0	0	0	0	109.9	L337 S338 W339 A344 K345 L346 V389 Y391	L337-V342 HydrophobicContact CB-CG2 3.6Å; L337-V342 HydrophobicContact CD1-CG2 4.4Å; S338-V342 PolarHBondContact O-N 3.21Å; W339-V342 HydrophobicContact CE3-CB 4.24Å; W339-V342 HydrophobicContact CE3-CG1 4.38Å; W339-V342 HydrophobicContact CZ3-CB 4.48Å; W339-V342 HydrophobicContact CZ3-CG1 4.17Å; W339-V342 PolarHBondContact O-N 3.09Å; V342-A344 VanDerWaalsContact C-N 3.32Å; V342-A344 PolarHBondContact O-N 3.13Å; V342-K345 CarbonylContact O-C 3.46Å; V342-K345 WeakPolarHBondContact O-CA 3.4Å; V342-K345 WeakPolarHBondContact O-CB 3.36Å; V342-K345 PolarHBondContact O-N 3.05Å; V342-L346 WeakPolarHBondContact O-CG 3.34Å; V342-L346 PolarHBondContact O-N 3.27Å; V342-L346 VanDerWaalsContact O-N 3.1Å; V342-V389 HydrophobicContact CG2-CG2 4.14Å; V342-Y391 HydrophobicContact CG1-CD1 3.63Å; V342-Y391 HydrophobicContact CG1-CD2 3.73Å; V342-Y391 HydrophobicContact CG1-CE1 3.78Å; V342-Y391 HydrophobicContact CG1-CE2 3.9Å; V342-Y391 HydrophobicContact CG1-CG 3.61Å; V342-Y391 HydrophobicContact CG2-CG 4.44Å
343	C	97.2	Very high	96.7	Very high	23 Å²	23	44.2 Å²	44.2	16%	0.155	26%	0.256	C	S	.	.	H	α-helix	trans	-63.8	-36.1	-175.3	121.4	0	0	0	0	112.2	W339 K345 L346 C426	W339-C343 HydrophobicContact CD2-CB 4.34Å; W339-C343 HydrophobicContact CE3-CB 4.41Å; W339-C343 HydrophobicContact CH2-CB 3.85Å; W339-C343 HydrophobicContact CZ2-CB 3.77Å; W339-C343 HydrophobicContact CZ3-CB 4.17Å; W339-C343 WeakPolarHBondContact O-CB 3.42Å; W339-C343 PolarHBondContact O-N 2.95Å; C343-K345 PolarHBondContact O-N 3.47Å; C343-L346 WeakPolarHBondContact O-CB 3.24Å; C343-L346 PolarHBondContact O-N 2.76Å; C343-L346 VanDerWaalsContact O-N 3.08Å; C343-C426 HydrophobicContact CB-CB 4.02Å; C343-C426 WeakPolarHBondContact CB-SG 3.26Å; C343-C426 WeakPolarHBondContact SG-CA 3.29Å; C343-C426 WeakPolarHBondContact SG-CB 3.12Å; C343-C426 CovalentContact SG-SG 2.03Å; C343-C426 PolarHBondContact SG-SG 2.82Å
344	A	96.7	Very high	96.8	Very high	54 Å²	54	44.6 Å²	44.6	45%	0.446	26%	0.258	S	S	.	.	H	α-helix	trans	-63.5	-26.4	173.7	0	0	0	0	0	113.1	P340 V342 N348 N351	P340-A344 WeakPolarHBondContact O-CB 3.44Å; P340-A344 PolarHBondContact O-N 2.84Å; V342-A344 VanDerWaalsContact C-N 3.32Å; V342-A344 PolarHBondContact O-N 3.13Å; A344-N348 PolarHBondContact O-ND2 3.04Å; A344-N351 PolarHBondContact O-ND2 2.85Å
345	K	97.5	Very high	96.6	Very high	62 Å²	62	50 Å²	50	27%	0.27	28%	0.275	S	S	.	.	H	α-helix	trans	-86.2	-15.3	174.5	-72.1	-179.2	-176.6	-62.5	0	113.3	L337 E341 V342 C343 P360 L361	L337-K345 HydrophobicContact CD1-CD 4.05Å; E341-K345 WeakPolarHBondContact O-CG 3.43Å; E341-K345 PolarHBondContact O-N 2.79Å; V342-K345 CarbonylContact O-C 3.46Å; V342-K345 WeakPolarHBondContact O-CA 3.4Å; V342-K345 WeakPolarHBondContact O-CB 3.36Å; V342-K345 PolarHBondContact O-N 3.05Å; C343-K345 PolarHBondContact O-N 3.47Å; K345-P360 CarbonylContact O-C 3.6Å; K345-P360 WeakPolarHBondContact O-CA 3.4Å; K345-L361 HydrophobicContact CB-CD1 3.97Å; K345-L361 HydrophobicContact CB-CG 4.05Å; K345-L361 HydrophobicContact CD-CD1 4.34Å; K345-L361 PolarHBondContact O-N 2.81Å
346	L	97.4	Very high	96.4	Very high	18 Å²	18	51.7 Å²	51.7	9%	0.094	29%	0.292	C	S	.	.	S	Bend	trans	-73.1	156.9	172.3	-59.7	-177	0	0	0	110.7	W339 V342 C343 N348 N351 K363 A375	W339-L346 HydrophobicContact CH2-CD1 4.39Å; V342-L346 WeakPolarHBondContact O-CG 3.34Å; V342-L346 PolarHBondContact O-N 3.27Å; V342-L346 VanDerWaalsContact O-N 3.1Å; C343-L346 WeakPolarHBondContact O-CB 3.24Å; C343-L346 PolarHBondContact O-N 2.76Å; C343-L346 VanDerWaalsContact O-N 3.08Å; L346-N348 PolarHBondContact O-N 3.02Å; L346-N348 PolarHBondContact O-ND2 3.25Å; L346-N348 VanDerWaalsContact O-ND2 3.12Å; L346-N351 PolarHBondContact O-ND2 3.3Å; L346-K363 HydrophobicContact CD1-CD 4.23Å; L346-K363 HydrophobicContact CD2-CB 4.18Å; L346-A375 HydrophobicContact CD2-CB 3.55Å
347	P	96.4	Very high	96.3	Very high	79 Å²	79	53.6 Å²	53.6	51%	0.513	31%	0.309	S	S	.	.			trans	-61.5	125	-175.6	-19.7	33.7	0	0	0	111	P360 L361	P347-P360 HydrophobicContact CB-CB 4.22Å; P347-P360 HydrophobicContact CG-CB 4.16Å; P347-L361 WeakPolarHBondContact CD-O 3.46Å; P347-L361 WeakPolarHBondContact CG-O 3.47Å
348	N	95	Very high	96.1	Very high	51 Å²	51	58.8 Å²	58.8	27%	0.273	34%	0.337	S	S	.	.			trans	-146.2	165	176.2	67.5	66.4	0	0	0	110.3	A344 L346 A350 N351 Q352	A344-N348 PolarHBondContact O-ND2 3.04Å; L346-N348 PolarHBondContact O-N 3.02Å; L346-N348 PolarHBondContact O-ND2 3.25Å; L346-N348 VanDerWaalsContact O-ND2 3.12Å; N348-A350 PolarHBondContact O-N 3.39Å; N348-A350 VanDerWaalsContact O-N 3.1Å; N348-A350 WeakPolarHBondContact OD1-CA 3.24Å; N348-A350 WeakPolarHBondContact OD1-CB 3.33Å; N348-A350 PolarHBondContact OD1-N 2.59Å; N348-N351 PolarHBondContact N-OD1 3.3Å; N348-N351 VanDerWaalsContact ND2-CG 3.28Å; N348-N351 PolarHBondContact ND2-ND2 3.09Å; N348-N351 PolarHBondContact O-N 3.3Å; N348-N351 VanDerWaalsContact O-N 3.16Å; N348-N351 PolarHBondContact O-OD1 3.34Å; N348-N351 PolarHBondContact OD1-N 3.02Å; N348-Q352 WeakPolarHBondContact O-CB 3.47Å; N348-Q352 PolarHBondContact O-N 3.46Å
349	P	94.2	Very high	96	Very high	108 Å²	108	58.9 Å²	58.9	70%	0.701	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-29.3	-176.8	-28.2	36.5	0	0	0	114.7	Q352	P349-Q352 PolarHBondContact O-NE2 2.71Å
350	A	92.9	Very high	96	Very high	71 Å²	71	59.9 Å²	59.9	59%	0.587	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-23.8	-177.8	0	0	0	0	0	113.5	N348 H353	N348-A350 PolarHBondContact O-N 3.39Å; N348-A350 VanDerWaalsContact O-N 3.1Å; N348-A350 WeakPolarHBondContact OD1-CA 3.24Å; N348-A350 WeakPolarHBondContact OD1-CB 3.33Å; N348-A350 PolarHBondContact OD1-N 2.59Å; A350-H353 PolarHBondContact O-CE1 3.14Å
351	N	95.7	Very high	96	Very high	10 Å²	10	59.6 Å²	59.6	5%	0.053	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-12.2	-177.7	76.2	2.1	0	0	0	115	A344 L346 N348 H353 L354	A344-N351 PolarHBondContact O-ND2 2.85Å; L346-N351 PolarHBondContact O-ND2 3.3Å; N348-N351 PolarHBondContact N-OD1 3.3Å; N348-N351 VanDerWaalsContact ND2-CG 3.28Å; N348-N351 PolarHBondContact ND2-ND2 3.09Å; N348-N351 PolarHBondContact O-N 3.3Å; N348-N351 VanDerWaalsContact O-N 3.16Å; N348-N351 PolarHBondContact O-OD1 3.34Å; N348-N351 PolarHBondContact OD1-N 3.02Å; N351-H353 PolarHBondContact O-N 3.48Å; N351-L354 HydrophobicContact CB-CD1 3.89Å; N351-L354 HydrophobicContact CB-CG 4.44Å; N351-L354 WeakPolarHBondContact O-CB 3.46Å; N351-L354 PolarHBondContact O-N 3.38Å
352	Q	94.4	Very high	96	Very high	140 Å²	140	67 Å²	67	65%	0.654	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-22.6	-174.1	63.4	-178.6	-18.4	0	0	115.3	N348 P349	N348-Q352 WeakPolarHBondContact O-CB 3.47Å; N348-Q352 PolarHBondContact O-N 3.46Å; P349-Q352 PolarHBondContact O-NE2 2.71Å
353	H	95.4	Very high	95.9	Very high	129 Å²	129	70.9 Å²	70.9	60%	0.597	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	-10.7	-179.3	63.1	-85.6	0	0	0	113.3	A350 N351	A350-H353 PolarHBondContact O-CE1 3.14Å; N351-H353 PolarHBondContact O-N 3.48Å
354	L	96.9	Very high	95.9	Very high	72 Å²	72	71.6 Å²	71.6	38%	0.377	39%	0.394	S	S	.	.			trans	-71.9	153.8	-179.9	-58.2	179.7	0	0	0	110.6	N351 D358 G359	N351-L354 HydrophobicContact CB-CD1 3.89Å; N351-L354 HydrophobicContact CB-CG 4.44Å; N351-L354 WeakPolarHBondContact O-CB 3.46Å; N351-L354 PolarHBondContact O-N 3.38Å; L354-D358 HydrophobicContact CB-CB 4.21Å; L354-D358 WeakPolarHBondContact CB-O 3.26Å; L354-D358 HydrophobicContact CD1-CB 4.05Å; L354-G359 WeakPolarHBondContact O-CA 3.36Å
355	K	95	Very high	95.9	Very high	184 Å²	184	70.9 Å²	70.9	80%	0.8	39%	0.392	S	S	*	.			trans	-133.4	174.2	-177.1	-63.3	-175.6	-179.9	-179.3	0	110.3	D358 G359	K355-D358 PolarHBondContact O-N 2.7Å; K355-G359 PolarHBondContact O-N 3.02Å
356	G	94.4	Very high	95.7	Very high	36 Å²	36	69.1 Å²	69.1	37%	0.371	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	60.7	-137	179	0	0	0	0	0	111.2	D358 G359 R377	G356-D358 PolarHBondContact O-N 3.44Å; G356-G359 PolarHBondContact O-N 3.13Å; G356-R377 PolarHBondContact O-NH1 2.8Å; G356-R377 PolarHBondContact O-NH2 2.76Å
357	A	94.3	Very high	95.6	Very high	50 Å²	50	74.1 Å²	74.1	41%	0.413	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-56.9	-32	-177.6	0	0	0	0	0	113.8	R377 N385	A357-R377 VanDerWaalsContact C-NH1 3.3Å; A357-R377 PolarHBondContact O-NH1 3.12Å; A357-R377 PolarHBondContact O-NH2 3.15Å; A357-N385 WeakPolarHBondContact CA-OD1 3.42Å; A357-N385 VanDerWaalsContact CB-OD1 3.31Å; A357-N385 WeakPolarHBondContact CB-OD1 3.21Å; A357-N385 VanDerWaalsContact N-CG 3.34Å; A357-N385 PolarHBondContact N-OD1 2.87Å
358	D	94.7	Very high	95.6	Very high	111 Å²	111	74.2 Å²	74.2	59%	0.594	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-97.6	-3.1	-173.1	-59.4	-47.8	0	0	0	114.2	L354 K355 G356	L354-D358 HydrophobicContact CB-CB 4.21Å; L354-D358 WeakPolarHBondContact CB-O 3.26Å; L354-D358 HydrophobicContact CD1-CB 4.05Å; K355-D358 PolarHBondContact O-N 2.7Å; G356-D358 PolarHBondContact O-N 3.44Å
359	G	96	Very high	95.7	Very high	7 Å²	7	77.1 Å²	77.1	7%	0.072	43%	0.428	C	S	.	.	S	Bend	trans	-59.7	151.2	174.6	0	0	0	0	0	112.4	L354 K355 G356 R377	L354-G359 WeakPolarHBondContact O-CA 3.36Å; K355-G359 PolarHBondContact O-N 3.02Å; G356-G359 PolarHBondContact O-N 3.13Å; G359-R377 VanDerWaalsContact N-NH1 3.18Å; G359-R377 PolarHBondContact O-NH1 3.1Å
360	P	97.7	Very high	95.9	Very high	38 Å²	38	77.1 Å²	77.1	25%	0.247	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-66.4	147.6	-179.1	28.5	-35.1	0	0	0	111.8	K345 P347	K345-P360 CarbonylContact O-C 3.6Å; K345-P360 WeakPolarHBondContact O-CA 3.4Å; P347-P360 HydrophobicContact CB-CB 4.22Å; P347-P360 HydrophobicContact CG-CB 4.16Å
361	L	98	Very high	96	Very high	3 Å²	3	76.1 Å²	76.1	2%	0.016	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-78.9	145.1	166.8	-55.8	-178.9	0	0	0	109.6	K345 P347 K363 A375 R377 V387 V389	K345-L361 HydrophobicContact CB-CD1 3.97Å; K345-L361 HydrophobicContact CB-CG 4.05Å; K345-L361 HydrophobicContact CD-CD1 4.34Å; K345-L361 PolarHBondContact O-N 2.81Å; P347-L361 WeakPolarHBondContact CD-O 3.46Å; P347-L361 WeakPolarHBondContact CG-O 3.47Å; L361-K363 PolarHBondContact O-N 2.98Å; L361-A375 HydrophobicContact CB-CB 3.8Å; L361-A375 HydrophobicContact CD1-CB 4.13Å; L361-R377 HydrophobicContact CD2-CB 3.61Å; L361-V387 HydrophobicContact CD1-CG1 4.48Å; L361-V387 HydrophobicContact CD2-CB 4.13Å; L361-V387 HydrophobicContact CD2-CG1 4.4Å; L361-V389 HydrophobicContact CD1-CG1 3.64Å
362	R	97.4	Very high	96	Very high	160 Å²	160	76.3 Å²	76.3	60%	0.604	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.9	114.7	169.4	-179.6	179.3	177.3	-178.5	4	109.5	A375 Y376	R362-A375 CarbonylContact O-C 3.5Å; R362-A375 WeakPolarHBondContact O-CA 3.46Å; R362-Y376 HydrophobicContact CB-CD1 4.4Å; R362-Y376 HydrophobicContact CB-CE1 4.17Å; R362-Y376 HydrophobicContact CG-CE1 4.24Å; R362-Y376 PolarHBondContact N-O 2.77Å; R362-Y376 PolarHBondContact NH1-OH 3.29Å; R362-Y376 PolarHBondContact O-N 3.02Å
363	K	97.3	Very high	96.1	Very high	83 Å²	83	69.9 Å²	69.9	36%	0.361	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	135	170.4	-177.1	169.7	-171.1	176.2	0	110.4	L346 L361 Y391 D393	L346-K363 HydrophobicContact CD1-CD 4.23Å; L346-K363 HydrophobicContact CD2-CB 4.18Å; L361-K363 PolarHBondContact O-N 2.98Å; K363-Y391 WeakPolarHBondContact CG-OH 3.19Å; K363-D393 WeakPolarHBondContact CE-OD2 3.31Å; K363-D393 IonicContact NZ-OD2 2.8Å; K363-D393 PolarHBondContact NZ-OD2 2.93Å
364	V	97.6	Very high	96.3	Very high	37 Å²	37	64.5 Å²	64.5	22%	0.224	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	108.2	166.3	-174.6	0	0	0	0	107.6	Y374 Y376	V364-Y374 HydrophobicContact CB-CD1 4.05Å; V364-Y374 HydrophobicContact CB-CD2 4.11Å; V364-Y374 HydrophobicContact CB-CE1 3.62Å; V364-Y374 HydrophobicContact CB-CE2 3.68Å; V364-Y374 HydrophobicContact CB-CG 4.29Å; V364-Y374 VanDerWaalsContact CB-CZ 3.44Å; V364-Y374 HydrophobicContact CG1-CD1 4.32Å; V364-Y374 HydrophobicContact CG1-CE1 3.54Å; V364-Y374 HydrophobicContact CG1-CE2 4.29Å; V364-Y374 HydrophobicContact CG2-CD2 4.28Å; V364-Y374 HydrophobicContact CG2-CE1 4.37Å; V364-Y374 HydrophobicContact CG2-CE2 3.6Å; V364-Y374 PolarHBondContact N-O 2.9Å; V364-Y374 PolarHBondContact O-N 3.1Å; V364-Y374 VanDerWaalsContact O-O 3.08Å; V364-Y376 HydrophobicContact CG2-CD1 4.21Å; V364-Y376 HydrophobicContact CG2-CE1 3.96Å
365	G	95.2	Very high	96.4	Very high	39 Å²	39	61.1 Å²	61.1	40%	0.402	33%	0.328	S	S	.	.			trans	-78.9	169.3	174	0	0	0	0	0	111.8	P367	G365-P367 VanDerWaalsContact O-CD 3.31Å; G365-P367 WeakPolarHBondContact O-CD 3.13Å
366	D	94.9	Very high	96.5	Very high	25 Å²	25	53 Å²	53	13%	0.134	29%	0.292	C	S	.	.			trans	-112.1	91.5	176.6	173.6	19.9	0	0	0	111.2	T368 K369 R370 F371 G372	D366-T368 PolarHBondContact O-N 2.87Å; D366-T368 VanDerWaalsContact O-N 3.14Å; D366-T368 WeakPolarHBondContact OD1-CA 3.39Å; D366-T368 WeakPolarHBondContact OD1-CB 3.49Å; D366-T368 PolarHBondContact OD1-N 3.44Å; D366-T368 PolarHBondContact OD1-OG1 3.38Å; D366-K369 PolarHBondContact O-N 2.91Å; D366-K369 PolarHBondContact OD1-N 2.91Å; D366-K369 PolarHBondContact OD2-N 3.06Å; D366-R370 PolarHBondContact OD2-N 2.78Å; D366-F371 PolarHBondContact OD2-N 3.37Å; D366-G372 VanDerWaalsContact CB-O 3.26Å; D366-G372 WeakPolarHBondContact CB-O 3.48Å; D366-G372 PolarHBondContact OD2-N 3.35Å; D366-G372 VanDerWaalsContact OD2-N 3.15Å
367	P	94.6	Very high	96.7	Very high	124 Å²	124	53.3 Å²	53.3	81%	0.805	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-17.8	179.5	27.2	-35.1	0	0	0	112.9	G365 K369	G365-P367 VanDerWaalsContact O-CD 3.31Å; G365-P367 WeakPolarHBondContact O-CD 3.13Å; P367-K369 VanDerWaalsContact C-N 3.31Å
368	T	95.9	Very high	96.8	Very high	80 Å²	80	52.1 Å²	52.1	49%	0.491	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-17.9	176.9	75.8	0	0	0	0	112.5	D366 R370	D366-T368 PolarHBondContact O-N 2.87Å; D366-T368 VanDerWaalsContact O-N 3.14Å; D366-T368 WeakPolarHBondContact OD1-CA 3.39Å; D366-T368 WeakPolarHBondContact OD1-CB 3.49Å; D366-T368 PolarHBondContact OD1-N 3.44Å; D366-T368 PolarHBondContact OD1-OG1 3.38Å; T368-R370 WeakPolarHBondContact O-CG 3.49Å; T368-R370 WeakPolarHBondContact OG1-CB 3.43Å; T368-R370 WeakPolarHBondContact OG1-CG 3.49Å
369	K	97.3	Very high	97	Very high	112 Å²	112	47.6 Å²	47.6	49%	0.487	25%	0.249	S	C	.	.	S	Bend	trans	61	38.9	-178.2	-52.5	-176.2	171.6	-170.5	0	113.3	D366 P367 I399	D366-K369 PolarHBondContact O-N 2.91Å; D366-K369 PolarHBondContact OD1-N 2.91Å; D366-K369 PolarHBondContact OD2-N 3.06Å; P367-K369 VanDerWaalsContact C-N 3.31Å; K369-I399 HydrophobicContact CB-CD1 3.88Å; K369-I399 HydrophobicContact CB-CG1 4.3Å; K369-I399 HydrophobicContact CB-CG2 3.82Å; K369-I399 HydrophobicContact CD-CD1 4.02Å; K369-I399 HydrophobicContact CD-CG1 4.09Å; K369-I399 HydrophobicContact CG-CD1 3.66Å; K369-I399 HydrophobicContact CG-CG1 4.23Å
370	R	97.6	Very high	97	Very high	108 Å²	108	50 Å²	50	41%	0.408	26%	0.261	S	S	.	.	S	Bend	trans	-121.2	-34.4	-171.9	-61.7	-179.9	69.8	99.5	1.5	115.1	I264 Y265 D366 T368	I264-R370 WeakPolarHBondContact CA-O 3.49Å; I264-R370 WeakPolarHBondContact CB-O 3.48Å; I264-R370 PolarHBondContact N-O 2.79Å; Y265-R370 HydrophobicContact CD2-CB 3.87Å; Y265-R370 HydrophobicContact CD2-CG 3.88Å; Y265-R370 HydrophobicContact CE2-CG 4.41Å; Y265-R370 PolarHBondContact N-O 3.36Å; Y265-R370 VanDerWaalsContact N-O 3.09Å; D366-R370 PolarHBondContact OD2-N 2.78Å; T368-R370 WeakPolarHBondContact O-CG 3.49Å; T368-R370 WeakPolarHBondContact OG1-CB 3.43Å; T368-R370 WeakPolarHBondContact OG1-CG 3.49Å
371	F	96.5	Very high	96.8	Very high	51 Å²	51	55.4 Å²	55.4	22%	0.224	29%	0.287	C	S	.	.	S	Bend	trans	-119.9	-27.4	-166.2	-49.8	-51.5	0	0	0	113.1	F260 P263 L267 D366	F260-F371 HydrophobicContact CD1-CB 4.29Å; F260-F371 WeakPolarHBondContact CD1-O 3.38Å; F260-F371 HydrophobicContact CD2-CB 4.05Å; F260-F371 HydrophobicContact CE1-CB 4.14Å; F260-F371 HydrophobicContact CE2-CB 3.84Å; F260-F371 HydrophobicContact CE2-CG 4.48Å; F260-F371 HydrophobicContact CG-CB 4.24Å; F260-F371 HydrophobicContact CZ-CB 3.89Å; P263-F371 WeakPolarHBondContact CA-O 3.4Å; P263-F371 HydrophobicContact CB-CB 4.42Å; P263-F371 HydrophobicContact CB-CD1 4.32Å; L267-F371 HydrophobicContact CD1-CD1 4.08Å; L267-F371 HydrophobicContact CD2-CD1 3.93Å; L267-F371 HydrophobicContact CD2-CE1 4.24Å; L267-F371 HydrophobicContact CD2-CG 4.08Å; L267-F371 HydrophobicContact CG-CD1 3.64Å; L267-F371 HydrophobicContact CG-CE1 3.77Å; L267-F371 HydrophobicContact CG-CG 4.3Å; D366-F371 PolarHBondContact OD2-N 3.37Å
372	G	95.3	Very high	96.6	Very high	13 Å²	13	60 Å²	60	13%	0.134	32%	0.319	C	S	.	.			trans	102.3	175.4	-179.2	0	0	0	0	0	113.3	F260 D366	F260-G372 VanDerWaalsContact CE1-O 3.22Å; F260-G372 WeakPolarHBondContact CE1-O 3.5Å; D366-G372 VanDerWaalsContact CB-O 3.26Å; D366-G372 WeakPolarHBondContact CB-O 3.48Å; D366-G372 PolarHBondContact OD2-N 3.35Å; D366-G372 VanDerWaalsContact OD2-N 3.15Å
373	S	97	Very high	96.5	Very high	6 Å²	6	53 Å²	53	4%	0.042	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	154	-176.6	-68.6	0	0	0	0	111.4	Y391 T396	S373-Y391 PolarHBondContact O-N 3.03Å; S373-T396 VanDerWaalsContact OG-CG2 3.3Å; S373-T396 WeakPolarHBondContact OG-CG2 3.4Å
374	Y	98.4	Very high	96.4	Very high	16 Å²	16	53.7 Å²	53.7	6%	0.063	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	168.6	167.2	68.8	-87.6	0	0	0	111	F260 G314 P316 V364 Y376 W388 V389 Y391	F260-Y374 AromaticContact CE1-CD1 3.79Å; F260-Y374 HydrophobicContact CE1-CD1 3.79Å; F260-Y374 AromaticContact CZ-CD1 3.97Å; F260-Y374 HydrophobicContact CZ-CD1 3.97Å; F260-Y374 HydrophobicContact CZ-CE1 4.23Å; G314-Y374 WeakPolarHBondContact O-CE2 3.42Å; P316-Y374 HydrophobicContact CG-CD1 4.44Å; P316-Y374 HydrophobicContact CG-CE1 4.23Å; V364-Y374 HydrophobicContact CB-CD1 4.05Å; V364-Y374 HydrophobicContact CB-CD2 4.11Å; V364-Y374 HydrophobicContact CB-CE1 3.62Å; V364-Y374 HydrophobicContact CB-CE2 3.68Å; V364-Y374 HydrophobicContact CB-CG 4.29Å; V364-Y374 VanDerWaalsContact CB-CZ 3.44Å; V364-Y374 HydrophobicContact CG1-CD1 4.32Å; V364-Y374 HydrophobicContact CG1-CE1 3.54Å; V364-Y374 HydrophobicContact CG1-CE2 4.29Å; V364-Y374 HydrophobicContact CG2-CD2 4.28Å; V364-Y374 HydrophobicContact CG2-CE1 4.37Å; V364-Y374 HydrophobicContact CG2-CE2 3.6Å; V364-Y374 PolarHBondContact N-O 2.9Å; V364-Y374 PolarHBondContact O-N 3.1Å; V364-Y374 VanDerWaalsContact O-O 3.08Å; Y374-Y376 HydrophobicContact CD2-CD1 4.28Å; Y374-Y376 AromaticContact CE2-CD1 3.84Å; Y374-Y376 HydrophobicContact CE2-CD1 3.84Å; Y374-Y376 HydrophobicContact CE2-CE1 4.37Å; Y374-W388 VanDerWaalsContact CB-CZ2 3.45Å; Y374-W388 HydrophobicContact CD1-CZ2 4.29Å; Y374-W388 AromaticContact CD2-CE2 3.73Å; Y374-W388 AromaticContact CD2-CZ2 3.97Å; Y374-W388 HydrophobicContact CD2-CZ2 3.97Å; Y374-W388 AromaticContact CD2-NE1 3.26Å; Y374-W388 VanDerWaalsContact CD2-NE1 3.26Å; Y374-W388 AromaticContact CE2-NE1 3.68Å; Y374-W388 AromaticContact CG-CE2 3.92Å; Y374-W388 AromaticContact CG-CZ2 3.67Å; Y374-W388 HydrophobicContact CG-CZ2 3.67Å; Y374-W388 AromaticContact CG-NE1 3.91Å; Y374-V389 CarbonylContact C-O 3.51Å; Y374-V389 WeakPolarHBondContact CA-O 3.37Å; Y374-V389 WeakPolarHBondContact CB-O 3.49Å; Y374-Y391 VanDerWaalsContact C-CE1 3.46Å
375	A	98.6	Very high	96.3	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	148.5	171.2	0	0	0	0	0	109.9	L346 L361 R362 V389 Y391	L346-A375 HydrophobicContact CD2-CB 3.55Å; L361-A375 HydrophobicContact CB-CB 3.8Å; L361-A375 HydrophobicContact CD1-CB 4.13Å; R362-A375 CarbonylContact O-C 3.5Å; R362-A375 WeakPolarHBondContact O-CA 3.46Å; A375-V389 HydrophobicContact CB-CG1 4Å; A375-V389 PolarHBondContact N-O 3.03Å; A375-V389 PolarHBondContact O-N 3.16Å; A375-Y391 HydrophobicContact CB-CE1 3.71Å
376	Y	98.5	Very high	96.5	Very high	13 Å²	13	52.4 Å²	52.4	5%	0.051	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	160.1	-176.9	79.8	-77.7	0	0	0	113.4	L312 T313 R362 V364 Y374 V387	L312-Y376 VanDerWaalsContact O-CE2 3.26Å; L312-Y376 WeakPolarHBondContact O-CE2 3.43Å; L312-Y376 PolarHBondContact O-OH 3.22Å; T313-Y376 WeakPolarHBondContact O-CE1 3.47Å; T313-Y376 VanDerWaalsContact O-CZ 3.23Å; T313-Y376 PolarHBondContact O-OH 2.62Å; R362-Y376 HydrophobicContact CB-CD1 4.4Å; R362-Y376 HydrophobicContact CB-CE1 4.17Å; R362-Y376 HydrophobicContact CG-CE1 4.24Å; R362-Y376 PolarHBondContact N-O 2.77Å; R362-Y376 PolarHBondContact NH1-OH 3.29Å; R362-Y376 PolarHBondContact O-N 3.02Å; V364-Y376 HydrophobicContact CG2-CD1 4.21Å; V364-Y376 HydrophobicContact CG2-CE1 3.96Å; Y374-Y376 HydrophobicContact CD2-CD1 4.28Å; Y374-Y376 AromaticContact CE2-CD1 3.84Å; Y374-Y376 HydrophobicContact CE2-CD1 3.84Å; Y374-Y376 HydrophobicContact CE2-CE1 4.37Å; Y376-V387 CarbonylContact C-O 3.5Å; Y376-V387 WeakPolarHBondContact CA-O 3.26Å; Y376-V387 WeakPolarHBondContact CB-O 3.22Å
377	R	97.9	Very high	96.6	Very high	43 Å²	43	52 Å²	52	16%	0.162	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	126.6	166.1	179.5	178.8	66.1	-154	3.3	106.5	G356 A357 G359 L361 N385 G386 V387	G356-R377 PolarHBondContact O-NH1 2.8Å; G356-R377 PolarHBondContact O-NH2 2.76Å; A357-R377 VanDerWaalsContact C-NH1 3.3Å; A357-R377 PolarHBondContact O-NH1 3.12Å; A357-R377 PolarHBondContact O-NH2 3.15Å; G359-R377 VanDerWaalsContact N-NH1 3.18Å; G359-R377 PolarHBondContact O-NH1 3.1Å; L361-R377 HydrophobicContact CD2-CB 3.61Å; R377-N385 PolarHBondContact NE-O 2.85Å; R377-N385 PolarHBondContact NH2-O 3.03Å; R377-G386 CarbonylContact O-C 3.37Å; R377-G386 VanDerWaalsContact O-CA 3.26Å; R377-G386 WeakPolarHBondContact O-CA 3.35Å; R377-V387 PolarHBondContact N-O 3.16Å; R377-V387 PolarHBondContact O-N 3.38Å
378	S	97.4	Very high	96.8	Very high	26 Å²	26	46 Å²	46	18%	0.182	25%	0.245	C	C	.	.			trans	-66.8	156.2	175.6	-64.3	0	0	0	0	111.1	G311 L312	G311-S378 WeakPolarHBondContact O-CB 3.43Å; G311-S378 PolarHBondContact O-OG 2.87Å; L312-S378 VanDerWaalsContact CA-OG 3.3Å; L312-S378 WeakPolarHBondContact CA-OG 3.15Å
379	A	97.6	Very high	97	Very high	16 Å²	16	42.2 Å²	42.2	13%	0.132	22%	0.222	C	C	.	.			trans	-62	148.7	173	0	0	0	0	0	111	T307 E384	T307-A379 WeakPolarHBondContact O-CB 3.4Å; A379-E384 CarbonylContact C-O 3.4Å; A379-E384 WeakPolarHBondContact CA-O 3.45Å
380	D	95.7	Very high	97	Very high	57 Å²	57	36.9 Å²	36.9	31%	0.305	20%	0.199	S	C	.	.			trans	-78.3	-176.7	176.1	62.2	28.3	0	0	0	112.6	K308 S382 G383 E384 N385	K308-D380 WeakPolarHBondContact CE-O 3.33Å; D380-S382 PolarHBondContact O-N 2.77Å; D380-S382 VanDerWaalsContact O-N 3.09Å; D380-S382 WeakPolarHBondContact OD1-CA 3.23Å; D380-S382 WeakPolarHBondContact OD1-CB 3.37Å; D380-S382 PolarHBondContact OD1-N 2.96Å; D380-G383 WeakPolarHBondContact O-CA 3.46Å; D380-G383 PolarHBondContact O-N 2.99Å; D380-G383 PolarHBondContact OD1-N 2.86Å; D380-G383 VanDerWaalsContact OD1-N 3.1Å; D380-E384 PolarHBondContact N-O 3.42Å; D380-E384 PolarHBondContact OD1-N 2.68Å; D380-N385 PolarHBondContact OD2-ND2 2.89Å
381	D	93.4	Very high	97.1	Very high	151 Å²	151	32.1 Å²	32.1	81%	0.807	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-9.6	178.5	-67.2	-27.1	0	0	0	113.7	K308	K308-D381 WeakPolarHBondContact CE-O 3.4Å; K308-D381 PolarHBondContact NZ-O 3.5Å
382	S	94.7	Very high	97.1	Very high	99 Å²	99	30 Å²	30	69%	0.692	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-7.3	169.7	-62.1	0	0	0	0	112.5	D380 E384	D380-S382 PolarHBondContact O-N 2.77Å; D380-S382 VanDerWaalsContact O-N 3.09Å; D380-S382 WeakPolarHBondContact OD1-CA 3.23Å; D380-S382 WeakPolarHBondContact OD1-CB 3.37Å; D380-S382 PolarHBondContact OD1-N 2.96Å; S382-E384 VanDerWaalsContact C-N 3.33Å
383	G	94.5	Very high	97.2	Very high	15 Å²	15	29.5 Å²	29.5	16%	0.155	17%	0.166	C	C	.	.	S	Bend	trans	82.3	15.2	-176	0	0	0	0	0	113.2	K308 D380	K308-G383 VanDerWaalsContact CE-N 3.28Å; D380-G383 WeakPolarHBondContact O-CA 3.46Å; D380-G383 PolarHBondContact O-N 2.99Å; D380-G383 PolarHBondContact OD1-N 2.86Å; D380-G383 VanDerWaalsContact OD1-N 3.1Å
384	E	95.3	Very high	97.2	Very high	96 Å²	96	30.3 Å²	30.3	45%	0.449	17%	0.171	S	C	.	.			trans	-104.8	174	-177.8	-66.3	-57.5	143.3	0	0	111.2	A379 D380 S382 G386	A379-E384 CarbonylContact C-O 3.4Å; A379-E384 WeakPolarHBondContact CA-O 3.45Å; D380-E384 PolarHBondContact N-O 3.42Å; D380-E384 PolarHBondContact OD1-N 2.68Å; S382-E384 VanDerWaalsContact C-N 3.33Å; E384-G386 PolarHBondContact O-N 3.02Å
385	N	96.6	Very high	97.1	Very high	47 Å²	47	34.4 Å²	34.4	25%	0.251	19%	0.194	S	C	.	.	S	Bend	trans	63.9	1.1	172	-56.3	-52.3	0	0	0	116.1	A357 R377 D380 V387	A357-N385 WeakPolarHBondContact CA-OD1 3.42Å; A357-N385 VanDerWaalsContact CB-OD1 3.31Å; A357-N385 WeakPolarHBondContact CB-OD1 3.21Å; A357-N385 VanDerWaalsContact N-CG 3.34Å; A357-N385 PolarHBondContact N-OD1 2.87Å; R377-N385 PolarHBondContact NE-O 2.85Å; R377-N385 PolarHBondContact NH2-O 3.03Å; D380-N385 PolarHBondContact OD2-ND2 2.89Å; N385-V387 PolarHBondContact O-N 3.37Å
386	G	98.2	Very high	97.1	Very high	2 Å²	2	34.9 Å²	34.9	2%	0.021	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	127.5	174.6	0	0	0	0	0	111.7	L306 R377 E384	L306-G386 PolarHBondContact N-O 3.27Å; R377-G386 CarbonylContact O-C 3.37Å; R377-G386 VanDerWaalsContact O-CA 3.26Å; R377-G386 WeakPolarHBondContact O-CA 3.35Å; E384-G386 PolarHBondContact O-N 3.02Å
387	V	98.5	Very high	97.1	Very high	16 Å²	16	34.2 Å²	34.2	10%	0.097	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	138.8	178.8	177	0	0	0	0	109.9	W304 A325 L361 Y376 R377 N385	W304-V387 WeakPolarHBondContact O-CA 3.5Å; A325-V387 HydrophobicContact CB-CG1 4.21Å; L361-V387 HydrophobicContact CD1-CG1 4.48Å; L361-V387 HydrophobicContact CD2-CB 4.13Å; L361-V387 HydrophobicContact CD2-CG1 4.4Å; Y376-V387 CarbonylContact C-O 3.5Å; Y376-V387 WeakPolarHBondContact CA-O 3.26Å; Y376-V387 WeakPolarHBondContact CB-O 3.22Å; R377-V387 PolarHBondContact N-O 3.16Å; R377-V387 PolarHBondContact O-N 3.38Å; N385-V387 PolarHBondContact O-N 3.37Å
388	W	98.7	Very high	97.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	133.3	166.3	-170	98.1	0	0	0	109.1	A258 D259 A303 W304 L306 G314 P316 V318 Y374	A258-W388 HydrophobicContact CB-CB 4.16Å; A258-W388 HydrophobicContact CB-CD2 3.78Å; A258-W388 HydrophobicContact CB-CE3 3.64Å; A258-W388 HydrophobicContact CB-CG 4.02Å; A258-W388 HydrophobicContact CB-CZ3 4.27Å; D259-W388 VanDerWaalsContact C-CH2 3.49Å; D259-W388 WeakPolarHBondContact O-CH2 3.21Å; D259-W388 WeakPolarHBondContact O-CZ3 3.25Å; A303-W388 CarbonylContact C-O 3.48Å; A303-W388 VanDerWaalsContact CA-O 3.22Å; A303-W388 WeakPolarHBondContact CA-O 3.41Å; W304-W388 AromaticContact CE3-CE3 3.65Å; W304-W388 HydrophobicContact CE3-CE3 3.65Å; W304-W388 AromaticContact CE3-CZ3 3.93Å; W304-W388 HydrophobicContact CE3-CZ3 3.93Å; W304-W388 HydrophobicContact CH2-CZ3 4.41Å; W304-W388 AromaticContact CZ3-CE3 3.87Å; W304-W388 HydrophobicContact CZ3-CE3 3.87Å; W304-W388 AromaticContact CZ3-CZ3 3.63Å; W304-W388 HydrophobicContact CZ3-CZ3 3.63Å; W304-W388 PolarHBondContact N-O 3.5Å; W304-W388 PolarHBondContact O-N 3.37Å; L306-W388 HydrophobicContact CD1-CB 3.98Å; L306-W388 HydrophobicContact CD2-CB 3.84Å; L306-W388 HydrophobicContact CG-CB 3.94Å; G314-W388 PolarHBondContact O-NE1 3Å; P316-W388 HydrophobicContact CB-CZ2 3.98Å; P316-W388 HydrophobicContact CG-CZ2 4.05Å; V318-W388 HydrophobicContact CG2-CG 4.4Å; Y374-W388 VanDerWaalsContact CB-CZ2 3.45Å; Y374-W388 HydrophobicContact CD1-CZ2 4.29Å; Y374-W388 AromaticContact CD2-CE2 3.73Å; Y374-W388 AromaticContact CD2-CZ2 3.97Å; Y374-W388 HydrophobicContact CD2-CZ2 3.97Å; Y374-W388 AromaticContact CD2-NE1 3.26Å; Y374-W388 VanDerWaalsContact CD2-NE1 3.26Å; Y374-W388 AromaticContact CE2-NE1 3.68Å; Y374-W388 AromaticContact CG-CE2 3.92Å; Y374-W388 AromaticContact CG-CZ2 3.67Å; Y374-W388 HydrophobicContact CG-CZ2 3.67Å; Y374-W388 AromaticContact CG-NE1 3.91Å
389	V	98.8	Very high	97.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	124.1	177.3	59.9	0	0	0	0	110.7	R302 A303 L337 V342 L361 Y374 A375 Y391	R302-V389 VanDerWaalsContact O-CA 3.31Å; R302-V389 WeakPolarHBondContact O-CA 2.95Å; R302-V389 WeakPolarHBondContact O-CG2 3.22Å; A303-V389 HydrophobicContact CB-CB 4.04Å; A303-V389 HydrophobicContact CB-CG2 4.07Å; L337-V389 HydrophobicContact CD1-CG2 4.26Å; V342-V389 HydrophobicContact CG2-CG2 4.14Å; L361-V389 HydrophobicContact CD1-CG1 3.64Å; Y374-V389 CarbonylContact C-O 3.51Å; Y374-V389 WeakPolarHBondContact CA-O 3.37Å; Y374-V389 WeakPolarHBondContact CB-O 3.49Å; A375-V389 HydrophobicContact CB-CG1 4Å; A375-V389 PolarHBondContact N-O 3.03Å; A375-V389 PolarHBondContact O-N 3.16Å; V389-Y391 HydrophobicContact CG1-CD1 4.04Å; V389-Y391 HydrophobicContact CG1-CE1 4.3Å; V389-Y391 HydrophobicContact CG2-CD1 4.2Å; V389-Y391 WeakPolarHBondContact O-CD1 3.39Å
390	G	98.6	Very high	97.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	130.7	166.2	0	0	0	0	0	108.6	G301 R302	G301-G390 CarbonylContact C-O 3.57Å; G301-G390 WeakPolarHBondContact CA-O 3.5Å; R302-G390 PolarHBondContact N-O 2.89Å; R302-G390 PolarHBondContact O-N 3.17Å
391	Y	98.4	Very high	97.3	Very high	7 Å²	7	29.5 Å²	29.5	3%	0.027	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	163	-171	60	-87.2	0	0	0	112.1	W339 V342 K363 S373 Y374 A375 V389 D393	W339-Y391 HydrophobicContact CE3-CD2 4.24Å; W339-Y391 AromaticContact CZ3-CD2 3.8Å; W339-Y391 HydrophobicContact CZ3-CD2 3.8Å; W339-Y391 AromaticContact CZ3-CE2 3.73Å; W339-Y391 HydrophobicContact CZ3-CE2 3.73Å; V342-Y391 HydrophobicContact CG1-CD1 3.63Å; V342-Y391 HydrophobicContact CG1-CD2 3.73Å; V342-Y391 HydrophobicContact CG1-CE1 3.78Å; V342-Y391 HydrophobicContact CG1-CE2 3.9Å; V342-Y391 HydrophobicContact CG1-CG 3.61Å; V342-Y391 HydrophobicContact CG2-CG 4.44Å; K363-Y391 WeakPolarHBondContact CG-OH 3.19Å; S373-Y391 PolarHBondContact O-N 3.03Å; Y374-Y391 VanDerWaalsContact C-CE1 3.46Å; A375-Y391 HydrophobicContact CB-CE1 3.71Å; V389-Y391 HydrophobicContact CG1-CD1 4.04Å; V389-Y391 HydrophobicContact CG1-CE1 4.3Å; V389-Y391 HydrophobicContact CG2-CD1 4.2Å; V389-Y391 WeakPolarHBondContact O-CD1 3.39Å; Y391-D393 HydrophobicContact CD2-CB 4.13Å; Y391-D393 HydrophobicContact CE2-CB 3.88Å
392	E	97.7	Very high	97.5	Very high	8 Å²	8	25.4 Å²	25.4	4%	0.037	14%	0.144	C	C	.	.			trans	-92.1	137	163	-67.3	-67.5	159.6	0	0	110.2	I297 A298 T396 A397 K400	I297-E392 HydrophobicContact CG2-CB 4.28Å; I297-E392 HydrophobicContact CG2-CG 3.92Å; A298-E392 VanDerWaalsContact O-CB 3.27Å; A298-E392 WeakPolarHBondContact O-CB 3.46Å; A298-E392 VanDerWaalsContact O-CG 3.26Å; A298-E392 WeakPolarHBondContact O-CG 3.47Å; E392-T396 WeakPolarHBondContact CA-OG1 3.48Å; E392-T396 VanDerWaalsContact OE2-C 3.28Å; E392-T396 WeakPolarHBondContact OE2-CB 3.12Å; E392-T396 PolarHBondContact OE2-OG1 2.8Å; E392-A397 PolarHBondContact OE2-N 3.1Å; E392-K400 WeakPolarHBondContact OE1-CE 3.43Å; E392-K400 IonicContact OE1-NZ 3.42Å; E392-K400 PolarHBondContact OE1-NZ 2.88Å
393	D	96.5	Very high	97.7	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.011	11%	0.112	C	C	.	.			trans	-119.2	175.3	166.2	68.7	24.6	0	0	0	109.6	W339 K363 Y391 D395 T396 A397	W339-D393 HydrophobicContact CE3-CB 4.22Å; W339-D393 HydrophobicContact CH2-CB 3.49Å; W339-D393 VanDerWaalsContact CH2-CB 3.49Å; W339-D393 HydrophobicContact CZ2-CB 4.23Å; W339-D393 HydrophobicContact CZ3-CB 3.49Å; W339-D393 VanDerWaalsContact CZ3-CB 3.49Å; K363-D393 WeakPolarHBondContact CE-OD2 3.31Å; K363-D393 IonicContact NZ-OD2 2.8Å; K363-D393 PolarHBondContact NZ-OD2 2.93Å; Y391-D393 HydrophobicContact CD2-CB 4.13Å; Y391-D393 HydrophobicContact CE2-CB 3.88Å; D393-D395 PolarHBondContact O-N 3.06Å; D393-D395 VanDerWaalsContact O-N 3.16Å; D393-D395 WeakPolarHBondContact OD1-CA 3.49Å; D393-D395 WeakPolarHBondContact OD1-CB 3.18Å; D393-D395 PolarHBondContact OD1-N 2.82Å; D393-T396 PolarHBondContact N-OG1 3.24Å; D393-T396 PolarHBondContact O-N 3.22Å; D393-T396 PolarHBondContact O-OG1 3.05Å; D393-T396 PolarHBondContact OD1-N 3.34Å; D393-T396 PolarHBondContact OD1-OG1 3.34Å; D393-A397 VanDerWaalsContact O-CB 3.3Å; D393-A397 WeakPolarHBondContact O-CB 3.07Å; D393-A397 PolarHBondContact O-N 3.28Å
394	P	97.3	Very high	97.9	Very high	22 Å²	22	20 Å²	20	14%	0.143	10%	0.104	C	C	.	.	H	α-helix	trans	-57.2	-30.3	-179.7	-26.2	35.5	0	0	0	113.6	W339 A398 P433 I434 Q437	W339-P394 HydrophobicContact CZ2-CG 4.22Å; P394-A398 WeakPolarHBondContact O-CB 3.18Å; P394-A398 PolarHBondContact O-N 3.01Å; P394-A398 VanDerWaalsContact O-N 3.08Å; P394-P433 HydrophobicContact CG-CB 3.84Å; P394-P433 HydrophobicContact CG-CG 4.35Å; P394-I434 HydrophobicContact CG-CG1 4.11Å; P394-Q437 HydrophobicContact CB-CB 4Å; P394-Q437 HydrophobicContact CB-CG 3.44Å; P394-Q437 VanDerWaalsContact CB-CG 3.44Å; P394-Q437 VanDerWaalsContact O-CB 3.22Å; P394-Q437 WeakPolarHBondContact O-CB 3.47Å
395	D	96.7	Very high	98	Very high	102 Å²	102	20.8 Å²	20.8	55%	0.545	11%	0.106	S	C	.	.	H	α-helix	trans	-75.6	-45.6	179.8	-63.2	-33.2	0	0	0	111.5	D393 A397 A398 I399	D393-D395 PolarHBondContact O-N 3.06Å; D393-D395 VanDerWaalsContact O-N 3.16Å; D393-D395 WeakPolarHBondContact OD1-CA 3.49Å; D393-D395 WeakPolarHBondContact OD1-CB 3.18Å; D393-D395 PolarHBondContact OD1-N 2.82Å; D395-A397 VanDerWaalsContact C-N 3.32Å; D395-A397 PolarHBondContact O-N 3.4Å; D395-A398 WeakPolarHBondContact O-CB 3.35Å; D395-A398 PolarHBondContact O-N 3.41Å; D395-I399 WeakPolarHBondContact O-CD1 3.45Å; D395-I399 VanDerWaalsContact O-CG1 3.29Å; D395-I399 WeakPolarHBondContact O-CG1 3.35Å; D395-I399 PolarHBondContact O-N 2.81Å
396	T	98	Very high	98.1	Very high	10 Å²	10	25.2 Å²	25.2	6%	0.061	12%	0.119	C	C	.	.	H	α-helix	trans	-68.9	-33.9	178.7	60.1	0	0	0	0	111.9	S373 E392 D393 I399 K400	S373-T396 VanDerWaalsContact OG-CG2 3.3Å; S373-T396 WeakPolarHBondContact OG-CG2 3.4Å; E392-T396 WeakPolarHBondContact CA-OG1 3.48Å; E392-T396 VanDerWaalsContact OE2-C 3.28Å; E392-T396 WeakPolarHBondContact OE2-CB 3.12Å; E392-T396 PolarHBondContact OE2-OG1 2.8Å; D393-T396 PolarHBondContact N-OG1 3.24Å; D393-T396 PolarHBondContact O-N 3.22Å; D393-T396 PolarHBondContact O-OG1 3.05Å; D393-T396 PolarHBondContact OD1-N 3.34Å; D393-T396 PolarHBondContact OD1-OG1 3.34Å; T396-I399 WeakPolarHBondContact O-CB 3.4Å; T396-I399 PolarHBondContact O-N 2.84Å; T396-K400 PolarHBondContact O-N 3.06Å; T396-K400 VanDerWaalsContact O-N 3.09Å
397	A	98.4	Very high	98.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-67.5	-40	173.6	0	0	0	0	0	112.2	I297 E392 D393 D395 I399 K400 A401 I434 V438	I297-A397 HydrophobicContact CD1-CB 4.08Å; I297-A397 HydrophobicContact CG2-CB 4.13Å; E392-A397 PolarHBondContact OE2-N 3.1Å; D393-A397 VanDerWaalsContact O-CB 3.3Å; D393-A397 WeakPolarHBondContact O-CB 3.07Å; D393-A397 PolarHBondContact O-N 3.28Å; D395-A397 VanDerWaalsContact C-N 3.32Å; D395-A397 PolarHBondContact O-N 3.4Å; A397-I399 VanDerWaalsContact C-N 3.32Å; A397-I399 PolarHBondContact O-N 2.86Å; A397-K400 PolarHBondContact O-N 3.25Å; A397-A401 PolarHBondContact O-N 2.91Å; A397-I434 HydrophobicContact CB-CG2 3.61Å; A397-V438 HydrophobicContact CB-CG2 3.79Å
398	A	98.1	Very high	98	Very high	7 Å²	7	29 Å²	29	6%	0.058	15%	0.147	C	C	.	.	H	α-helix	trans	-59.1	-42.2	171.4	0	0	0	0	0	112	P394 D395 K400 A401 E402 Q437 K441	P394-A398 WeakPolarHBondContact O-CB 3.18Å; P394-A398 PolarHBondContact O-N 3.01Å; P394-A398 VanDerWaalsContact O-N 3.08Å; D395-A398 WeakPolarHBondContact O-CB 3.35Å; D395-A398 PolarHBondContact O-N 3.41Å; A398-K400 VanDerWaalsContact C-N 3.31Å; A398-K400 PolarHBondContact O-N 3.03Å; A398-A401 WeakPolarHBondContact O-CB 3.42Å; A398-A401 PolarHBondContact O-N 2.78Å; A398-E402 WeakPolarHBondContact O-CG 3.35Å; A398-E402 PolarHBondContact O-N 3.18Å; A398-Q437 HydrophobicContact CB-CB 4.25Å; A398-K441 HydrophobicContact CB-CG 3.78Å
399	I	98.5	Very high	98	Very high	31 Å²	31	29.3 Å²	29.3	16%	0.159	15%	0.148	C	C	.	.	H	α-helix	trans	-61.3	-40	176.8	-69.5	162.6	0	0	0	111.1	I264 K369 D395 T396 A397 E402 Y403	I264-I399 HydrophobicContact CD1-CG2 3.64Å; K369-I399 HydrophobicContact CB-CD1 3.88Å; K369-I399 HydrophobicContact CB-CG1 4.3Å; K369-I399 HydrophobicContact CB-CG2 3.82Å; K369-I399 HydrophobicContact CD-CD1 4.02Å; K369-I399 HydrophobicContact CD-CG1 4.09Å; K369-I399 HydrophobicContact CG-CD1 3.66Å; K369-I399 HydrophobicContact CG-CG1 4.23Å; D395-I399 WeakPolarHBondContact O-CD1 3.45Å; D395-I399 VanDerWaalsContact O-CG1 3.29Å; D395-I399 WeakPolarHBondContact O-CG1 3.35Å; D395-I399 PolarHBondContact O-N 2.81Å; T396-I399 WeakPolarHBondContact O-CB 3.4Å; T396-I399 PolarHBondContact O-N 2.84Å; A397-I399 VanDerWaalsContact C-N 3.32Å; A397-I399 PolarHBondContact O-N 2.86Å; I399-E402 PolarHBondContact O-N 2.94Å; I399-Y403 PolarHBondContact O-N 2.9Å
400	K	98.6	Very high	98	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.017	15%	0.151	C	C	.	.	H	α-helix	trans	-66.8	-37.6	175.1	-76.7	-177.6	174.2	178.8	0	112.7	A262 I264 I297 E392 T396 A397 A398 Y403 V404	A262-K400 VanDerWaalsContact CB-NZ 3.31Å; A262-K400 WeakPolarHBondContact O-CE 3.43Å; A262-K400 PolarHBondContact O-NZ 3.16Å; I264-K400 HydrophobicContact CD1-CG 3.78Å; I264-K400 HydrophobicContact CG1-CG 3.91Å; I297-K400 HydrophobicContact CD1-CB 3.73Å; I297-K400 HydrophobicContact CD1-CD 4.18Å; I297-K400 HydrophobicContact CG1-CB 4.26Å; I297-K400 HydrophobicContact CG1-CD 3.91Å; E392-K400 WeakPolarHBondContact OE1-CE 3.43Å; E392-K400 IonicContact OE1-NZ 3.42Å; E392-K400 PolarHBondContact OE1-NZ 2.88Å; T396-K400 PolarHBondContact O-N 3.06Å; T396-K400 VanDerWaalsContact O-N 3.09Å; A397-K400 PolarHBondContact O-N 3.25Å; A398-K400 VanDerWaalsContact C-N 3.31Å; A398-K400 PolarHBondContact O-N 3.03Å; K400-Y403 WeakPolarHBondContact O-CB 3.37Å; K400-Y403 PolarHBondContact O-N 2.65Å; K400-V404 PolarHBondContact O-N 2.79Å
401	A	98.4	Very high	98	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64.6	-40.5	172.6	0	0	0	0	0	112	A397 A398 Y403 V404 K405 I412 V438 K441 L442	A397-A401 PolarHBondContact O-N 2.91Å; A398-A401 WeakPolarHBondContact O-CB 3.42Å; A398-A401 PolarHBondContact O-N 2.78Å; A401-Y403 VanDerWaalsContact C-N 3.33Å; A401-Y403 PolarHBondContact O-N 3.26Å; A401-V404 PolarHBondContact O-N 3.41Å; A401-K405 PolarHBondContact O-N 2.85Å; A401-I412 HydrophobicContact CB-CG1 4.44Å; A401-V438 HydrophobicContact CB-CG1 4.28Å; A401-K441 HydrophobicContact CB-CB 3.68Å; A401-L442 HydrophobicContact CB-CD2 4.26Å; A401-L442 HydrophobicContact CB-CG 4.21Å
402	E	98.1	Very high	98	Very high	65 Å²	65	29.2 Å²	29.2	30%	0.304	15%	0.15	S	C	.	.	H	α-helix	trans	-63.5	-37.1	172.7	-70.3	176.1	171.1	0	0	112	A398 I399 R406 K441	A398-E402 WeakPolarHBondContact O-CG 3.35Å; A398-E402 PolarHBondContact O-N 3.18Å; I399-E402 PolarHBondContact O-N 2.94Å; E402-R406 WeakPolarHBondContact O-CB 3.32Å; E402-R406 PolarHBondContact O-N 3.45Å; E402-K441 HydrophobicContact CG-CB 4.04Å; E402-K441 HydrophobicContact CG-CD 4.09Å; E402-K441 HydrophobicContact CG-CG 4.12Å; E402-K441 WeakPolarHBondContact OE1-CD 3.05Å; E402-K441 WeakPolarHBondContact OE1-CE 3.38Å; E402-K441 IonicContact OE1-NZ 2.9Å; E402-K441 PolarHBondContact OE1-NZ 3.34Å
403	Y	98.5	Very high	98	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.008	15%	0.148	C	C	.	.	H	α-helix	trans	-60.4	-49.6	171	167.8	-81.2	0	0	0	111.5	I264 Y265 V276 N277 V280 V295 I399 K400 A401 K405 R406 E407 L409	I264-Y403 HydrophobicContact CG2-CD2 3.46Å; I264-Y403 VanDerWaalsContact CG2-CD2 3.46Å; I264-Y403 HydrophobicContact CG2-CE2 3.82Å; I264-Y403 HydrophobicContact CG2-CG 4.06Å; Y265-Y403 HydrophobicContact CE1-CE2 4.41Å; V276-Y403 HydrophobicContact CG1-CD1 4.3Å; V276-Y403 HydrophobicContact CG1-CE1 3.82Å; N277-Y403 WeakPolarHBondContact CA-OH 3.31Å; N277-Y403 HydrophobicContact CB-CE2 4.26Å; N277-Y403 PolarHBondContact OD1-OH 3.11Å; V280-Y403 HydrophobicContact CG2-CE1 4.17Å; V295-Y403 HydrophobicContact CG2-CE1 4.31Å; I399-Y403 PolarHBondContact O-N 2.9Å; K400-Y403 WeakPolarHBondContact O-CB 3.37Å; K400-Y403 PolarHBondContact O-N 2.65Å; A401-Y403 VanDerWaalsContact C-N 3.33Å; A401-Y403 PolarHBondContact O-N 3.26Å; Y403-K405 VanDerWaalsContact C-N 3.32Å; Y403-K405 PolarHBondContact O-N 2.85Å; Y403-R406 PolarHBondContact O-N 2.91Å; Y403-E407 HydrophobicContact CD1-CG 4.42Å; Y403-E407 HydrophobicContact CD2-CG 4.25Å; Y403-E407 HydrophobicContact CE1-CG 4Å; Y403-E407 HydrophobicContact CE2-CG 3.8Å; Y403-E407 HydrophobicContact CG-CG 4.5Å; Y403-E407 WeakPolarHBondContact O-CG 3.17Å; Y403-E407 PolarHBondContact O-N 2.9Å; Y403-L409 HydrophobicContact CE1-CD1 3.89Å
404	V	98.7	Very high	98.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-56	-47.5	178.4	158.9	0	0	0	0	111.4	V295 K400 A401 E407 G408 L409 G411 I412 L442	V295-V404 HydrophobicContact CB-CG2 3.7Å; V295-V404 HydrophobicContact CG2-CG2 3.72Å; K400-V404 PolarHBondContact O-N 2.79Å; A401-V404 PolarHBondContact O-N 3.41Å; V404-E407 PolarHBondContact O-N 3.25Å; V404-G408 PolarHBondContact O-N 3.46Å; V404-G408 VanDerWaalsContact O-N 3.15Å; V404-L409 HydrophobicContact CB-CB 4.42Å; V404-L409 HydrophobicContact CG1-CB 3.95Å; V404-L409 HydrophobicContact CG2-CB 4.49Å; V404-L409 HydrophobicContact CG2-CD1 4.15Å; V404-L409 PolarHBondContact O-N 3.23Å; V404-G411 WeakPolarHBondContact CG1-O 3.16Å; V404-G411 WeakPolarHBondContact CG2-O 3.41Å; V404-I412 HydrophobicContact CB-CD1 4.27Å; V404-I412 HydrophobicContact CB-CG1 4.48Å; V404-I412 HydrophobicContact CG2-CD1 3.43Å; V404-I412 VanDerWaalsContact CG2-CD1 3.43Å; V404-I412 HydrophobicContact CG2-CG1 4.06Å; V404-L442 HydrophobicContact CB-CD2 4.32Å; V404-L442 HydrophobicContact CG1-CD2 3.7Å
405	K	97.7	Very high	98.2	Very high	112 Å²	112	28 Å²	28	49%	0.487	14%	0.143	S	C	.	.	H	α-helix	trans	-62.7	-44.1	178.7	-175.4	169.3	-170.5	149.2	0	112.3	A401 Y403 G408 K441 L442	A401-K405 PolarHBondContact O-N 2.85Å; Y403-K405 VanDerWaalsContact C-N 3.32Å; Y403-K405 PolarHBondContact O-N 2.85Å; K405-G408 PolarHBondContact O-N 2.94Å; K405-K441 VanDerWaalsContact CD-O 3.32Å; K405-K441 WeakPolarHBondContact CD-O 3.02Å; K405-L442 PolarHBondContact NZ-O 3.27Å
406	R	97.5	Very high	98.2	Very high	140 Å²	140	23.3 Å²	23.3	53%	0.528	12%	0.118	S	C	.	.	H	α-helix	trans	-65.2	-39.5	179.3	-178.2	-178	60.8	-107.7	-1.5	112.4	Y265 E402 Y403 G408	Y265-R406 PolarHBondContact OH-NH2 3.42Å; E402-R406 WeakPolarHBondContact O-CB 3.32Å; E402-R406 PolarHBondContact O-N 3.45Å; Y403-R406 PolarHBondContact O-N 2.91Å; R406-G408 PolarHBondContact O-N 3.1Å
407	E	97.5	Very high	98.2	Very high	55 Å²	55	22.9 Å²	22.9	26%	0.257	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-0.3	179	-63.5	-60.4	132.1	0	0	113.1	K281 Y403 V404 L409	K281-E407 IonicContact NZ-OE2 3.58Å; K281-E407 PolarHBondContact NZ-OE2 3.11Å; Y403-E407 HydrophobicContact CD1-CG 4.42Å; Y403-E407 HydrophobicContact CD2-CG 4.25Å; Y403-E407 HydrophobicContact CE1-CG 4Å; Y403-E407 HydrophobicContact CE2-CG 3.8Å; Y403-E407 HydrophobicContact CG-CG 4.5Å; Y403-E407 WeakPolarHBondContact O-CG 3.17Å; Y403-E407 PolarHBondContact O-N 2.9Å; V404-E407 PolarHBondContact O-N 3.25Å; E407-L409 VanDerWaalsContact C-N 3.29Å; E407-L409 HydrophobicContact CB-CD1 4.2Å; E407-L409 HydrophobicContact CB-CD2 4.24Å; E407-L409 HydrophobicContact CB-CG 3.81Å; E407-L409 PolarHBondContact O-N 2.96Å
408	G	97.2	Very high	98.1	Very high	43 Å²	43	23 Å²	23	44%	0.443	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	31.7	179.4	0	0	0	0	0	113.5	A290 V404 K405 R406	A290-G408 VanDerWaalsContact CB-O 3.31Å; A290-G408 WeakPolarHBondContact CB-O 3.46Å; V404-G408 PolarHBondContact O-N 3.46Å; V404-G408 VanDerWaalsContact O-N 3.15Å; K405-G408 PolarHBondContact O-N 2.94Å; R406-G408 PolarHBondContact O-N 3.1Å
409	L	98.6	Very high	98.1	Very high	5 Å²	5	22.9 Å²	22.9	3%	0.026	11%	0.114	C	C	.	.			trans	-78.3	164.1	-178.2	-58.5	-177.3	0	0	0	111.7	H25 V280 A290 I293 V295 Y403 V404 E407 G411	H25-L409 PolarHBondContact CD2-O 3.09Å; V280-L409 HydrophobicContact CB-CD1 4.48Å; V280-L409 HydrophobicContact CG1-CD1 3.83Å; V280-L409 HydrophobicContact CG1-CD2 3.71Å; V280-L409 HydrophobicContact CG1-CG 4.38Å; V280-L409 HydrophobicContact CG2-CD1 3.78Å; A290-L409 HydrophobicContact CB-CD2 4.06Å; A290-L409 CarbonylContact O-C 3.17Å; A290-L409 WeakPolarHBondContact O-CA 3.34Å; I293-L409 HydrophobicContact CB-CD2 4.37Å; V295-L409 HydrophobicContact CG2-CD1 3.81Å; Y403-L409 HydrophobicContact CE1-CD1 3.89Å; V404-L409 HydrophobicContact CB-CB 4.42Å; V404-L409 HydrophobicContact CG1-CB 3.95Å; V404-L409 HydrophobicContact CG2-CB 4.49Å; V404-L409 HydrophobicContact CG2-CD1 4.15Å; V404-L409 PolarHBondContact O-N 3.23Å; E407-L409 VanDerWaalsContact C-N 3.29Å; E407-L409 HydrophobicContact CB-CD1 4.2Å; E407-L409 HydrophobicContact CB-CD2 4.24Å; E407-L409 HydrophobicContact CB-CG 3.81Å; E407-L409 PolarHBondContact O-N 2.96Å; L409-G411 VanDerWaalsContact C-N 3.32Å; L409-G411 PolarHBondContact O-N 2.93Å
410	G	98.4	Very high	98.1	Very high	6 Å²	6	21.4 Å²	21.4	6%	0.062	11%	0.106	C	C	.	.	S	Bend	trans	-63.9	-31.9	-178.8	0	0	0	0	0	114.1	H25 H26 A290 A291 I293	H25-G410 CarbonylContact C-O 3.44Å; H25-G410 VanDerWaalsContact CA-O 3.31Å; H25-G410 WeakPolarHBondContact CA-O 3.17Å; H26-G410 PolarHBondContact N-O 2.82Å; A290-G410 PolarHBondContact O-N 2.84Å; A291-G410 VanDerWaalsContact C-CA 3.49Å; A291-G410 WeakPolarHBondContact O-CA 3.32Å; I293-G410 WeakPolarHBondContact O-CA 3.35Å; I293-G410 PolarHBondContact O-N 3.25Å
411	G	98.6	Very high	98.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157.5	-153.9	-177.8	0	0	0	0	0	116	H26 I293 N294 V295 V404 L409	H26-G411 CarbonylContact O-C 3.52Å; H26-G411 WeakPolarHBondContact O-CA 3.26Å; I293-G411 PolarHBondContact O-N 2.92Å; N294-G411 CarbonylContact C-O 3.52Å; N294-G411 WeakPolarHBondContact CA-O 3.15Å; N294-G411 PolarHBondContact OD1-N 3.08Å; V295-G411 PolarHBondContact N-O 3.5Å; V404-G411 WeakPolarHBondContact CG1-O 3.16Å; V404-G411 WeakPolarHBondContact CG2-O 3.41Å; L409-G411 VanDerWaalsContact C-N 3.32Å; L409-G411 PolarHBondContact O-N 2.93Å
412	I	98.8	Very high	98	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	142.5	-179.1	-67.8	-74.2	0	0	0	110.4	H26 L27 L28 V295 I297 A401 V404 V414 V438 L442	H26-I412 PolarHBondContact O-N 3.09Å; L27-I412 WeakPolarHBondContact CA-O 3.46Å; L27-I412 HydrophobicContact CD1-CB 4.07Å; L27-I412 HydrophobicContact CD1-CG2 4.1Å; L28-I412 PolarHBondContact N-O 3.17Å; V295-I412 HydrophobicContact CB-CD1 3.93Å; V295-I412 HydrophobicContact CG1-CD1 4.24Å; V295-I412 WeakPolarHBondContact O-CA 3.41Å; V295-I412 WeakPolarHBondContact O-CD1 3.22Å; I297-I412 HydrophobicContact CD1-CD1 3.87Å; I297-I412 HydrophobicContact CD1-CG2 3.84Å; I297-I412 HydrophobicContact CG1-CD1 4.23Å; I297-I412 HydrophobicContact CG1-CG2 4.06Å; A401-I412 HydrophobicContact CB-CG1 4.44Å; V404-I412 HydrophobicContact CB-CD1 4.27Å; V404-I412 HydrophobicContact CB-CG1 4.48Å; V404-I412 HydrophobicContact CG2-CD1 3.43Å; V404-I412 VanDerWaalsContact CG2-CD1 3.43Å; V404-I412 HydrophobicContact CG2-CG1 4.06Å; I412-V414 HydrophobicContact CG2-CG2 3.96Å; I412-V438 HydrophobicContact CB-CG1 3.85Å; I412-V438 HydrophobicContact CG1-CG1 3.95Å; I412-V438 HydrophobicContact CG2-CG1 3.71Å; I412-L442 HydrophobicContact CB-CD1 4.29Å; I412-L442 HydrophobicContact CG1-CD1 4.2Å; I412-L442 HydrophobicContact CG1-CD2 4.1Å
413	A	98.8	Very high	97.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	117.4	165	0	0	0	0	0	109.9	L28 Y30 N242 V295 G296 I297	L28-A413 HydrophobicContact CB-CB 4.23Å; L28-A413 CarbonylContact O-C 3.53Å; L28-A413 VanDerWaalsContact O-CA 3.32Å; L28-A413 WeakPolarHBondContact O-CA 3.26Å; Y30-A413 HydrophobicContact CE2-CB 4.04Å; N242-A413 HydrophobicContact CB-CB 4.11Å; V295-A413 PolarHBondContact O-N 3.25Å; G296-A413 CarbonylContact C-O 3.54Å; G296-A413 VanDerWaalsContact CA-O 3.26Å; G296-A413 WeakPolarHBondContact CA-O 3.47Å; I297-A413 PolarHBondContact N-O 2.91Å
414	V	98.7	Very high	97.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	119.8	176.9	177.9	0	0	0	0	109.1	L27 L28 Y30 T299 I412 L417 L435	L27-V414 HydrophobicContact CD1-CG2 3.95Å; L28-V414 PolarHBondContact O-N 3.24Å; Y30-V414 WeakPolarHBondContact CB-O 3.37Å; Y30-V414 PolarHBondContact N-O 2.82Å; T299-V414 HydrophobicContact CG2-CG1 3.41Å; T299-V414 VanDerWaalsContact CG2-CG1 3.41Å; I412-V414 HydrophobicContact CG2-CG2 3.96Å; V414-L417 HydrophobicContact CG1-CD2 4.25Å; V414-L435 HydrophobicContact CB-CD1 4.49Å; V414-L435 HydrophobicContact CG2-CD1 3.92Å
415	V	98.4	Very high	97.6	Very high	6 Å²	6	26.6 Å²	26.6	4%	0.036	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	100.8	-173.3	-165.5	0	0	0	0	111.2	Y30 Y246 I297 A298 T299 Y300	Y30-V415 HydrophobicContact CD2-CG2 3.69Å; Y30-V415 HydrophobicContact CE2-CG2 4.18Å; Y30-V415 HydrophobicContact CG-CG1 4.33Å; Y30-V415 HydrophobicContact CG-CG2 4.05Å; Y246-V415 HydrophobicContact CE1-CB 4.2Å; Y246-V415 HydrophobicContact CE1-CG2 4.15Å; Y246-V415 WeakPolarHBondContact OH-CB 3.42Å; Y246-V415 VanDerWaalsContact OH-CG1 3.3Å; Y246-V415 WeakPolarHBondContact OH-CG1 3.42Å; I297-V415 PolarHBondContact O-N 2.97Å; A298-V415 CarbonylContact C-O 3.57Å; A298-V415 WeakPolarHBondContact CA-O 3.42Å; T299-V415 PolarHBondContact N-O 3.46Å; T299-V415 PolarHBondContact OG1-O 3.18Å; Y300-V415 WeakPolarHBondContact CE1-O 3.21Å
416	D	96.6	Very high	97.4	Very high	4 Å²	4	23.1 Å²	23.1	2%	0.021	13%	0.134	C	C	.	.			cis	-132.6	164.6	-5.7	81.4	83.2	0	0	0	110.1	Y30 T299 S418 F419	Y30-D416 WeakPolarHBondContact O-CB 3.34Å; T299-D416 PolarHBondContact OG1-N 3.36Å; T299-D416 VanDerWaalsContact OG1-N 3.15Å; T299-D416 PolarHBondContact OG1-O 3.42Å; D416-S418 VanDerWaalsContact CG-OG 3.31Å; D416-S418 PolarHBondContact O-N 2.84Å; D416-S418 WeakPolarHBondContact OD1-CA 3.42Å; D416-S418 WeakPolarHBondContact OD1-CB 3.31Å; D416-S418 PolarHBondContact OD1-N 2.97Å; D416-S418 PolarHBondContact OD1-OG 2.82Å; D416-S418 PolarHBondContact OD2-OG 2.86Å; D416-F419 PolarHBondContact O-N 3.33Å; D416-F419 WeakPolarHBondContact OD2-CD2 3.43Å; D416-F419 VanDerWaalsContact OD2-CE2 3.24Å; D416-F419 WeakPolarHBondContact OD2-CE2 3.36Å
417	L	98.4	Very high	97.2	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-23.9	-174.6	-69	-176.8	0	0	0	113.6	C29 Y30 L49 A52 L59 V414 F419 D420 F432 L435	C29-L417 HydrophobicContact CB-CD1 3.66Å; C29-L417 HydrophobicContact CB-CD2 4.28Å; C29-L417 HydrophobicContact CB-CG 4.01Å; Y30-L417 WeakPolarHBondContact O-CG 3.03Å; Y30-L417 PolarHBondContact O-N 3.48Å; L49-L417 HydrophobicContact CD1-CB 4.23Å; L49-L417 HydrophobicContact CD1-CD1 3.48Å; L49-L417 VanDerWaalsContact CD1-CD1 3.48Å; A52-L417 HydrophobicContact CB-CD1 3.76Å; A52-L417 HydrophobicContact CB-CD2 4.23Å; L59-L417 HydrophobicContact CD1-CD1 4.37Å; V414-L417 HydrophobicContact CG1-CD2 4.25Å; L417-F419 PolarHBondContact O-N 2.94Å; L417-D420 PolarHBondContact O-N 2.88Å; L417-F432 HydrophobicContact CB-CE1 4.03Å; L417-F432 HydrophobicContact CD2-CD1 4.05Å; L417-F432 HydrophobicContact CD2-CE1 4.23Å; L417-L435 HydrophobicContact CD2-CD1 4.5Å; L417-L435 HydrophobicContact CD2-CD2 3.87Å
418	S	97	Very high	96.8	Very high	3 Å²	3	19.6 Å²	19.6	2%	0.021	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-11	177.8	78.2	0	0	0	0	114.9	R38 D416	R38-S418 PolarHBondContact NH1-O 2.94Å; R38-S418 PolarHBondContact NH1-OG 2.83Å; R38-S418 PolarHBondContact NH2-OG 3.18Å; D416-S418 VanDerWaalsContact CG-OG 3.31Å; D416-S418 PolarHBondContact O-N 2.84Å; D416-S418 WeakPolarHBondContact OD1-CA 3.42Å; D416-S418 WeakPolarHBondContact OD1-CB 3.31Å; D416-S418 PolarHBondContact OD1-N 2.97Å; D416-S418 PolarHBondContact OD1-OG 2.82Å; D416-S418 PolarHBondContact OD2-OG 2.86Å
419	F	98.2	Very high	96.5	Very high	5 Å²	5	24.1 Å²	24.1	2%	0.022	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	-8.9	173.4	-63.4	-54.3	0	0	0	113.1	T299 Y300 T331 I333 L336 W339 P340 D416 L417	T299-F419 CarbonylContact O-C 3.51Å; T299-F419 WeakPolarHBondContact OG1-CB 3.41Å; Y300-F419 HydrophobicContact CD1-CB 4.28Å; Y300-F419 AromaticContact CD1-CD2 3.51Å; Y300-F419 HydrophobicContact CD1-CD2 3.51Å; Y300-F419 HydrophobicContact CD1-CE2 4.06Å; Y300-F419 HydrophobicContact CD1-CG 4.1Å; Y300-F419 HydrophobicContact CE1-CD2 4.17Å; Y300-F419 HydrophobicContact CE1-CE2 4.45Å; Y300-F419 HydrophobicContact CG-CD2 4.31Å; T331-F419 HydrophobicContact CG2-CD1 3.77Å; T331-F419 HydrophobicContact CG2-CE1 3.58Å; I333-F419 HydrophobicContact CD1-CE1 4.44Å; I333-F419 HydrophobicContact CD1-CZ 4.26Å; L336-F419 HydrophobicContact CD1-CZ 4.38Å; L336-F419 HydrophobicContact CD2-CD1 4.16Å; L336-F419 HydrophobicContact CD2-CE1 3.74Å; L336-F419 HydrophobicContact CD2-CZ 3.93Å; W339-F419 WeakPolarHBondContact CB-O 3.35Å; W339-F419 PolarHBondContact N-O 3.38Å; P340-F419 WeakPolarHBondContact CD-O 3.26Å; D416-F419 PolarHBondContact O-N 3.33Å; D416-F419 WeakPolarHBondContact OD2-CD2 3.43Å; D416-F419 VanDerWaalsContact OD2-CE2 3.24Å; D416-F419 WeakPolarHBondContact OD2-CE2 3.36Å; L417-F419 PolarHBondContact O-N 2.94Å
420	D	98.2	Very high	96.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	-74.9	166.8	166.5	-159.4	-8.2	0	0	0	110.2	T299 L417 F422 F432 P433 I434 L435	T299-D420 HydrophobicContact CG2-CB 4.06Å; L417-D420 PolarHBondContact O-N 2.88Å; D420-F422 VanDerWaalsContact C-N 3.33Å; D420-F422 VanDerWaalsContact O-CD1 3.25Å; D420-F422 WeakPolarHBondContact O-CD1 3.28Å; D420-F422 PolarHBondContact O-N 2.69Å; D420-F432 HydrophobicContact CB-CD1 4.1Å; D420-F432 WeakPolarHBondContact OD2-CA 3.32Å; D420-P433 VanDerWaalsContact OD1-CD 3.29Å; D420-P433 WeakPolarHBondContact OD1-CD 3.44Å; D420-I434 PolarHBondContact OD1-N 3.43Å; D420-I434 PolarHBondContact OD2-N 3.24Å; D420-L435 PolarHBondContact OD2-N 3.34Å
421	D	97.6	Very high	96.3	Very high	4 Å²	4	29.2 Å²	29.2	2%	0.021	18%	0.177	C	C	.	.			trans	-82.4	75.1	-180	-179	20.8	0	0	0	112	P340 R423 G424 G425 C426 K431 F432 P433	P340-D421 HydrophobicContact CG-CB 3.78Å; D421-R423 PolarHBondContact O-N 2.91Å; D421-R423 PolarHBondContact OD1-N 2.77Å; D421-G424 PolarHBondContact O-N 3.08Å; D421-G424 PolarHBondContact OD1-N 3.4Å; D421-G424 VanDerWaalsContact OD2-CA 3.25Å; D421-G424 WeakPolarHBondContact OD2-CA 3.48Å; D421-G425 VanDerWaalsContact CG-N 3.34Å; D421-G425 PolarHBondContact OD1-N 3.04Å; D421-G425 PolarHBondContact OD2-N 2.73Å; D421-C426 VanDerWaalsContact OD2-CB 3.29Å; D421-C426 WeakPolarHBondContact OD2-CB 3.36Å; D421-C426 PolarHBondContact OD2-N 3.08Å; D421-K431 CarbonylContact O-C 3.59Å; D421-K431 WeakPolarHBondContact O-CA 3.5Å; D421-F432 PolarHBondContact O-N 2.8Å; D421-P433 HydrophobicContact CB-CG 3.91Å
422	F	97.1	Very high	96.2	Very high	5 Å²	5	29.2 Å²	29.2	2%	0.022	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-5.2	178	60.4	-92.9	0	0	0	114.2	L41 K43 L44 D48 D420 K431 F432	L41-F422 VanDerWaalsContact O-CZ 3.31Å; L41-F422 WeakPolarHBondContact O-CZ 3.34Å; K43-F422 VanDerWaalsContact O-CE2 3.3Å; K43-F422 WeakPolarHBondContact O-CE2 3.42Å; K43-F422 WeakPolarHBondContact O-CZ 3.26Å; L44-F422 HydrophobicContact CB-CE1 4.19Å; L44-F422 HydrophobicContact CB-CE2 4.17Å; L44-F422 HydrophobicContact CB-CZ 3.96Å; L44-F422 HydrophobicContact CD1-CB 4.14Å; L44-F422 HydrophobicContact CD1-CD1 3.6Å; L44-F422 HydrophobicContact CD1-CD2 4.25Å; L44-F422 HydrophobicContact CD1-CE1 3.98Å; L44-F422 HydrophobicContact CD1-CG 3.75Å; L44-F422 HydrophobicContact CD1-CZ 4.44Å; L44-F422 HydrophobicContact CG-CD1 4.38Å; L44-F422 HydrophobicContact CG-CD2 4.29Å; L44-F422 HydrophobicContact CG-CE1 4.47Å; L44-F422 HydrophobicContact CG-CE2 4.36Å; L44-F422 HydrophobicContact CG-CG 4.3Å; L44-F422 HydrophobicContact CG-CZ 4.45Å; D48-F422 HydrophobicContact CB-CD2 3.98Å; D48-F422 HydrophobicContact CB-CE2 4.48Å; D420-F422 VanDerWaalsContact C-N 3.33Å; D420-F422 VanDerWaalsContact O-CD1 3.25Å; D420-F422 WeakPolarHBondContact O-CD1 3.28Å; D420-F422 PolarHBondContact O-N 2.69Å; F422-K431 WeakPolarHBondContact O-CD 3.3Å; F422-K431 WeakPolarHBondContact O-CE 3.47Å; F422-K431 VanDerWaalsContact O-CG 3.31Å; F422-K431 WeakPolarHBondContact O-CG 3.41Å; F422-F432 HydrophobicContact CB-CD1 4.07Å; F422-F432 HydrophobicContact CB-CD2 4.47Å; F422-F432 HydrophobicContact CB-CE1 3.4Å; F422-F432 HydrophobicContact CB-CE2 3.85Å; F422-F432 HydrophobicContact CB-CZ 3.27Å
423	R	95.6	Very high	96.2	Very high	104 Å²	104	29.7 Å²	29.7	39%	0.392	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-15.9	175.5	-61.3	-168.1	176	-69.3	-8.7	112.9	L41 K43 D48 D421 G425	L41-R423 PolarHBondContact O-NE 3.36Å; K43-R423 PolarHBondContact O-NH2 3.38Å; D48-R423 IonicContact OD2-NH2 2.82Å; D421-R423 PolarHBondContact O-N 2.91Å; D421-R423 PolarHBondContact OD1-N 2.77Å; R423-G425 VanDerWaalsContact C-N 3.33Å
424	G	95.7	Very high	96.2	Very high	2 Å²	2	29.7 Å²	29.7	2%	0.021	18%	0.18	C	C	.	.			trans	74	23.6	-178	0	0	0	0	0	113.3	D421 C426 G428 H429 D430	D421-G424 PolarHBondContact O-N 3.08Å; D421-G424 PolarHBondContact OD1-N 3.4Å; D421-G424 VanDerWaalsContact OD2-CA 3.25Å; D421-G424 WeakPolarHBondContact OD2-CA 3.48Å; G424-C426 VanDerWaalsContact C-N 3.33Å; G424-C426 PolarHBondContact O-N 3.08Å; G424-G428 CarbonylContact O-C 3.56Å; G424-G428 VanDerWaalsContact O-CA 3.23Å; G424-G428 WeakPolarHBondContact O-CA 3.37Å; G424-G428 PolarHBondContact O-N 3.36Å; G424-H429 PolarHBondContact O-N 3.19Å; G424-D430 WeakPolarHBondContact CA-O 3.5Å
425	G	94.1	Very high	96.2	Very high	65 Å²	65	29.7 Å²	29.7	67%	0.67	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-31.4	-178.8	0	0	0	0	0	113.7	D421 R423	D421-G425 VanDerWaalsContact CG-N 3.34Å; D421-G425 PolarHBondContact OD1-N 3.04Å; D421-G425 PolarHBondContact OD2-N 2.73Å; R423-G425 VanDerWaalsContact C-N 3.33Å
426	C	94.8	Very high	96.1	Very high	39 Å²	39	33.2 Å²	33.2	26%	0.264	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-33.2	-178.8	-72.5	0	0	0	0	113.5	C343 D421 G424	C343-C426 HydrophobicContact CB-CB 4.02Å; C343-C426 WeakPolarHBondContact CB-SG 3.26Å; C343-C426 WeakPolarHBondContact SG-CA 3.29Å; C343-C426 WeakPolarHBondContact SG-CB 3.12Å; C343-C426 CovalentContact SG-SG 2.03Å; C343-C426 PolarHBondContact SG-SG 2.82Å; D421-C426 VanDerWaalsContact OD2-CB 3.29Å; D421-C426 WeakPolarHBondContact OD2-CB 3.36Å; D421-C426 PolarHBondContact OD2-N 3.08Å; G424-C426 VanDerWaalsContact C-N 3.33Å; G424-C426 PolarHBondContact O-N 3.08Å
427	T	92.1	Very high	96.2	Very high	54 Å²	54	36.6 Å²	36.6	33%	0.331	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101	-13.8	-178.3	61.6	0	0	0	0	112.4	H429 D430 P433	T427-H429 VanDerWaalsContact C-N 3.26Å; T427-H429 PolarHBondContact O-CE1 3.16Å; T427-H429 PolarHBondContact O-N 3.07Å; T427-H429 PolarHBondContact O-ND1 2.83Å; T427-H429 PolarHBondContact OG1-N 2.98Å; T427-D430 HydrophobicContact CG2-CB 4.28Å; T427-D430 WeakPolarHBondContact OG1-CA 3.39Å; T427-D430 WeakPolarHBondContact OG1-CB 3.17Å; T427-D430 PolarHBondContact OG1-N 3.4Å; T427-D430 PolarHBondContact OG1-O 3.41Å; T427-P433 HydrophobicContact CG2-CB 3.98Å; T427-P433 HydrophobicContact CG2-CG 4.34Å
428	G	90.2	Very high	96.2	Very high	67 Å²	67	36.6 Å²	36.6	69%	0.691	21%	0.208	S	C	*	.	S	Bend	trans	80	-6.8	-173.8	0	0	0	0	0	114.9	G424	G424-G428 CarbonylContact O-C 3.56Å; G424-G428 VanDerWaalsContact O-CA 3.23Å; G424-G428 WeakPolarHBondContact O-CA 3.37Å; G424-G428 PolarHBondContact O-N 3.36Å
429	H	90.8	Very high	96.2	Very high	137 Å²	137	40.5 Å²	40.5	63%	0.634	23%	0.225	S	C	*	.	S	Bend	trans	-158.9	-42.2	-176.4	58.6	-73.2	0	0	0	114.1	G424 T427 K431	G424-H429 PolarHBondContact O-N 3.19Å; T427-H429 VanDerWaalsContact C-N 3.26Å; T427-H429 PolarHBondContact O-CE1 3.16Å; T427-H429 PolarHBondContact O-N 3.07Å; T427-H429 PolarHBondContact O-ND1 2.83Å; T427-H429 PolarHBondContact OG1-N 2.98Å; H429-K431 PolarHBondContact O-N 2.97Å
430	D	94.1	Very high	96.1	Very high	51 Å²	51	43.7 Å²	43.7	27%	0.273	25%	0.248	S	C	.	.			trans	-82.6	115.9	-174.3	-86.3	-25.8	0	0	0	111.8	G424 T427 R436	G424-D430 WeakPolarHBondContact CA-O 3.5Å; T427-D430 HydrophobicContact CG2-CB 4.28Å; T427-D430 WeakPolarHBondContact OG1-CA 3.39Å; T427-D430 WeakPolarHBondContact OG1-CB 3.17Å; T427-D430 PolarHBondContact OG1-N 3.4Å; T427-D430 PolarHBondContact OG1-O 3.41Å; D430-R436 IonicContact OD1-CZ 2.63Å; D430-R436 IonicContact OD1-NH1 2.84Å; D430-R436 PolarHBondContact OD1-NH1 2.81Å; D430-R436 IonicContact OD1-NH2 3.32Å; D430-R436 PolarHBondContact OD1-NH2 2.87Å; D430-R436 IonicContact OD2-CZ 3.9Å; D430-R436 IonicContact OD2-NH2 2.89Å; D430-R436 PolarHBondContact OD2-NH2 3Å
431	K	97.5	Very high	96.1	Very high	67 Å²	67	47 Å²	47	29%	0.291	26%	0.262	S	S	.	.	S	Bend	trans	-77.9	149	171.5	-60.3	-178.5	169.8	-162.5	0	111.7	P51 D421 F422 H429 R436	P51-K431 HydrophobicContact CB-CD 4.31Å; P51-K431 HydrophobicContact CG-CD 3.95Å; D421-K431 CarbonylContact O-C 3.59Å; D421-K431 WeakPolarHBondContact O-CA 3.5Å; F422-K431 WeakPolarHBondContact O-CD 3.3Å; F422-K431 WeakPolarHBondContact O-CE 3.47Å; F422-K431 VanDerWaalsContact O-CG 3.31Å; F422-K431 WeakPolarHBondContact O-CG 3.41Å; H429-K431 PolarHBondContact O-N 2.97Å; K431-R436 WeakPolarHBondContact O-CD 3.35Å
432	F	98.1	Very high	95.7	Very high	1 Å²	1	48.6 Å²	48.6	0%	0.004	27%	0.27	C	S	.	.			trans	52.9	52.6	179.2	-54.9	-82.6	0	0	0	113.6	L44 D48 P51 A52 L417 D420 D421 F422 I434 L435 R436	L44-F432 HydrophobicContact CD1-CE1 4.43Å; D48-F432 VanDerWaalsContact O-CE2 3.28Å; D48-F432 WeakPolarHBondContact O-CE2 3.5Å; D48-F432 VanDerWaalsContact O-CZ 3.23Å; D48-F432 WeakPolarHBondContact O-CZ 3.4Å; P51-F432 HydrophobicContact CB-CD2 4.24Å; P51-F432 HydrophobicContact CB-CE2 4.07Å; P51-F432 HydrophobicContact CG-CE2 4.49Å; A52-F432 HydrophobicContact CB-CD1 4.06Å; A52-F432 HydrophobicContact CB-CD2 3.82Å; A52-F432 HydrophobicContact CB-CE1 3.95Å; A52-F432 HydrophobicContact CB-CE2 3.72Å; A52-F432 HydrophobicContact CB-CG 3.98Å; A52-F432 HydrophobicContact CB-CZ 3.78Å; L417-F432 HydrophobicContact CB-CE1 4.03Å; L417-F432 HydrophobicContact CD2-CD1 4.05Å; L417-F432 HydrophobicContact CD2-CE1 4.23Å; D420-F432 HydrophobicContact CB-CD1 4.1Å; D420-F432 WeakPolarHBondContact OD2-CA 3.32Å; D421-F432 PolarHBondContact O-N 2.8Å; F422-F432 HydrophobicContact CB-CD1 4.07Å; F422-F432 HydrophobicContact CB-CD2 4.47Å; F422-F432 HydrophobicContact CB-CE1 3.4Å; F422-F432 HydrophobicContact CB-CE2 3.85Å; F422-F432 HydrophobicContact CB-CZ 3.27Å; F432-I434 VanDerWaalsContact C-N 3.28Å; F432-I434 PolarHBondContact O-N 2.76Å; F432-L435 HydrophobicContact CB-CB 3.93Å; F432-L435 HydrophobicContact CB-CD2 4.16Å; F432-L435 HydrophobicContact CG-CD2 4.48Å; F432-L435 PolarHBondContact O-N 3.42Å; F432-R436 WeakPolarHBondContact O-CB 3.22Å; F432-R436 VanDerWaalsContact O-CG 3.29Å; F432-R436 WeakPolarHBondContact O-CG 3.37Å; F432-R436 PolarHBondContact O-N 2.9Å
433	P	98	Very high	95.7	Very high	9 Å²	9	50.8 Å²	50.8	6%	0.058	28%	0.283	C	S	.	.	H	α-helix	trans	-60.7	-33.9	-174.9	27.2	-37.1	0	0	0	113.1	P394 D420 D421 T427 Q437	P394-P433 HydrophobicContact CG-CB 3.84Å; P394-P433 HydrophobicContact CG-CG 4.35Å; D420-P433 VanDerWaalsContact OD1-CD 3.29Å; D420-P433 WeakPolarHBondContact OD1-CD 3.44Å; D421-P433 HydrophobicContact CB-CG 3.91Å; T427-P433 HydrophobicContact CG2-CB 3.98Å; T427-P433 HydrophobicContact CG2-CG 4.34Å; P433-Q437 WeakPolarHBondContact O-CG 3.37Å; P433-Q437 PolarHBondContact O-N 3.05Å
434	I	98.5	Very high	95.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-67	-52.3	176.5	-68.4	175	0	0	0	110	I297 T299 W339 P394 A397 D420 F432 R436 Q437 V438	I297-I434 HydrophobicContact CG2-CG2 4.37Å; T299-I434 HydrophobicContact CG2-CB 4.37Å; T299-I434 HydrophobicContact CG2-CD1 4.28Å; T299-I434 HydrophobicContact CG2-CG2 3.98Å; W339-I434 HydrophobicContact CB-CD1 3.77Å; W339-I434 HydrophobicContact CD2-CD1 4.15Å; W339-I434 HydrophobicContact CG-CD1 3.71Å; W339-I434 HydrophobicContact CG-CG1 4.34Å; P394-I434 HydrophobicContact CG-CG1 4.11Å; A397-I434 HydrophobicContact CB-CG2 3.61Å; D420-I434 PolarHBondContact OD1-N 3.43Å; D420-I434 PolarHBondContact OD2-N 3.24Å; F432-I434 VanDerWaalsContact C-N 3.28Å; F432-I434 PolarHBondContact O-N 2.76Å; I434-R436 VanDerWaalsContact C-N 3.27Å; I434-R436 PolarHBondContact O-N 2.97Å; I434-Q437 PolarHBondContact O-N 3.41Å; I434-V438 WeakPolarHBondContact O-CG2 3.37Å; I434-V438 PolarHBondContact O-N 3.38Å
435	L	98.6	Very high	95.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-55.2	-43.2	177.2	178.1	66.9	0	0	0	112.2	L27 A52 Y55 V414 L417 D420 F432 V438 K439	L27-L435 HydrophobicContact CD1-CD1 4.06Å; L27-L435 HydrophobicContact CD2-CD1 3.69Å; L27-L435 HydrophobicContact CG-CD1 3.95Å; A52-L435 HydrophobicContact CB-CD2 3.49Å; A52-L435 VanDerWaalsContact CB-CD2 3.49Å; Y55-L435 HydrophobicContact CD2-CD2 3.86Å; Y55-L435 HydrophobicContact CD2-CG 4.28Å; Y55-L435 HydrophobicContact CG-CD2 4.48Å; V414-L435 HydrophobicContact CB-CD1 4.49Å; V414-L435 HydrophobicContact CG2-CD1 3.92Å; L417-L435 HydrophobicContact CD2-CD1 4.5Å; L417-L435 HydrophobicContact CD2-CD2 3.87Å; D420-L435 PolarHBondContact OD2-N 3.34Å; F432-L435 HydrophobicContact CB-CB 3.93Å; F432-L435 HydrophobicContact CB-CD2 4.16Å; F432-L435 HydrophobicContact CG-CD2 4.48Å; F432-L435 PolarHBondContact O-N 3.42Å; L435-V438 WeakPolarHBondContact O-CB 3.37Å; L435-V438 PolarHBondContact O-N 2.88Å; L435-K439 PolarHBondContact O-N 3.42Å
436	R	97.7	Very high	95.8	Very high	80 Å²	80	49.6 Å²	49.6	30%	0.302	27%	0.269	S	S	.	.	H	α-helix	trans	-64.9	-43.7	-179	-75.4	177.6	68.4	159.9	-10.5	112.1	Y55 D430 K431 F432 I434 K439 S440	Y55-R436 HydrophobicContact CD2-CG 4.26Å; Y55-R436 HydrophobicContact CE1-CG 4.46Å; Y55-R436 HydrophobicContact CE2-CG 3.6Å; D430-R436 IonicContact OD1-CZ 2.63Å; D430-R436 IonicContact OD1-NH1 2.84Å; D430-R436 PolarHBondContact OD1-NH1 2.81Å; D430-R436 IonicContact OD1-NH2 3.32Å; D430-R436 PolarHBondContact OD1-NH2 2.87Å; D430-R436 IonicContact OD2-CZ 3.9Å; D430-R436 IonicContact OD2-NH2 2.89Å; D430-R436 PolarHBondContact OD2-NH2 3Å; K431-R436 WeakPolarHBondContact O-CD 3.35Å; F432-R436 WeakPolarHBondContact O-CB 3.22Å; F432-R436 VanDerWaalsContact O-CG 3.29Å; F432-R436 WeakPolarHBondContact O-CG 3.37Å; F432-R436 PolarHBondContact O-N 2.9Å; I434-R436 VanDerWaalsContact C-N 3.27Å; I434-R436 PolarHBondContact O-N 2.97Å; R436-K439 PolarHBondContact O-N 3.24Å; R436-S440 PolarHBondContact O-N 2.84Å
437	Q	97.7	Very high	95.8	Very high	75 Å²	75	50.3 Å²	50.3	35%	0.35	27%	0.269	S	S	.	.	H	α-helix	trans	-65.6	-41	177.1	-76.3	-53.7	-38.9	0	0	111.7	P394 A398 P433 I434 K439 S440 K441	P394-Q437 HydrophobicContact CB-CB 4Å; P394-Q437 HydrophobicContact CB-CG 3.44Å; P394-Q437 VanDerWaalsContact CB-CG 3.44Å; P394-Q437 VanDerWaalsContact O-CB 3.22Å; P394-Q437 WeakPolarHBondContact O-CB 3.47Å; A398-Q437 HydrophobicContact CB-CB 4.25Å; P433-Q437 WeakPolarHBondContact O-CG 3.37Å; P433-Q437 PolarHBondContact O-N 3.05Å; I434-Q437 PolarHBondContact O-N 3.41Å; Q437-K439 PolarHBondContact O-N 3.29Å; Q437-S440 PolarHBondContact O-N 3.1Å; Q437-S440 PolarHBondContact O-OG 2.63Å; Q437-K441 PolarHBondContact O-N 3.27Å
438	V	98.4	Very high	96.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-54.5	-52	170.8	167.4	0	0	0	0	110.9	L27 I297 A397 A401 I412 I434 L435 S440 K441 L442	L27-V438 HydrophobicContact CD1-CG1 3.65Å; L27-V438 HydrophobicContact CD2-CG1 4.48Å; I297-V438 HydrophobicContact CD1-CG2 3.73Å; A397-V438 HydrophobicContact CB-CG2 3.79Å; A401-V438 HydrophobicContact CB-CG1 4.28Å; I412-V438 HydrophobicContact CB-CG1 3.85Å; I412-V438 HydrophobicContact CG1-CG1 3.95Å; I412-V438 HydrophobicContact CG2-CG1 3.71Å; I434-V438 WeakPolarHBondContact O-CG2 3.37Å; I434-V438 PolarHBondContact O-N 3.38Å; L435-V438 WeakPolarHBondContact O-CB 3.37Å; L435-V438 PolarHBondContact O-N 2.88Å; V438-S440 VanDerWaalsContact C-N 3.26Å; V438-S440 PolarHBondContact O-N 3.09Å; V438-K441 PolarHBondContact O-N 3.38Å; V438-K441 VanDerWaalsContact O-N 3.12Å; V438-L442 HydrophobicContact CG1-CD1 4Å; V438-L442 HydrophobicContact CG1-CG 4.46Å; V438-L442 PolarHBondContact O-N 3.45Å
439	K	97.6	Very high	96.5	Very high	85 Å²	85	48.9 Å²	48.9	37%	0.37	24%	0.235	S	C	.	.	H	α-helix	trans	-61.3	-33.8	-178.7	179.8	58.4	-179.2	176.9	0	112.8	L27 Y55 L435 R436 Q437 K441	L27-K439 HydrophobicContact CD2-CB 3.87Å; L27-K439 HydrophobicContact CD2-CD 4.02Å; L27-K439 HydrophobicContact CD2-CG 4.41Å; Y55-K439 HydrophobicContact CD1-CB 4.35Å; Y55-K439 HydrophobicContact CD1-CG 3.87Å; Y55-K439 HydrophobicContact CG-CG 4.4Å; L435-K439 PolarHBondContact O-N 3.42Å; R436-K439 PolarHBondContact O-N 3.24Å; Q437-K439 PolarHBondContact O-N 3.29Å; K439-K441 PolarHBondContact O-N 3.32Å
440	S	96.7	Very high	96.9	Very high	72 Å²	72	42.1 Å²	42.1	50%	0.503	20%	0.204	S	C	.	.	H	α-helix	trans	-68.2	-18.3	179.7	79.9	0	0	0	0	114	R436 Q437 V438	R436-S440 PolarHBondContact O-N 2.84Å; Q437-S440 PolarHBondContact O-N 3.1Å; Q437-S440 PolarHBondContact O-OG 2.63Å; V438-S440 VanDerWaalsContact C-N 3.26Å; V438-S440 PolarHBondContact O-N 3.09Å
441	K	96.3	Very high	97.2	Very high	71 Å²	71	41.3 Å²	41.3	31%	0.309	20%	0.198	S	C	.	.	H	α-helix	trans	-108.7	-20.1	-173.5	-63.4	-53.6	-174.5	148.1	0	114.7	A398 A401 E402 K405 Q437 V438 K439	A398-K441 HydrophobicContact CB-CG 3.78Å; A401-K441 HydrophobicContact CB-CB 3.68Å; E402-K441 HydrophobicContact CG-CB 4.04Å; E402-K441 HydrophobicContact CG-CD 4.09Å; E402-K441 HydrophobicContact CG-CG 4.12Å; E402-K441 WeakPolarHBondContact OE1-CD 3.05Å; E402-K441 WeakPolarHBondContact OE1-CE 3.38Å; E402-K441 IonicContact OE1-NZ 2.9Å; E402-K441 PolarHBondContact OE1-NZ 3.34Å; K405-K441 VanDerWaalsContact CD-O 3.32Å; K405-K441 WeakPolarHBondContact CD-O 3.02Å; Q437-K441 PolarHBondContact O-N 3.27Å; V438-K441 PolarHBondContact O-N 3.38Å; V438-K441 VanDerWaalsContact O-N 3.12Å; K439-K441 PolarHBondContact O-N 3.32Å
442	L	90.8	Very high	97.1	Very high	36 Å²	36	39 Å²	39	19%	0.188	19%	0.19	C	C	.	.			trans	-71.5	0	168.8	-68.6	176.5	0	0	0	110.1	H25 L27 A401 V404 K405 I412 V438	H25-L442 HydrophobicContact CB-CB 4.13Å; H25-L442 HydrophobicContact CB-CD1 4.21Å; H25-L442 HydrophobicContact CB-CD2 4.14Å; H25-L442 HydrophobicContact CB-CG 4.4Å; H25-L442 PolarHBondContact ND1-O 3.2Å; L27-L442 HydrophobicContact CB-CD1 4.48Å; L27-L442 HydrophobicContact CD1-CD1 4.37Å; A401-L442 HydrophobicContact CB-CD2 4.26Å; A401-L442 HydrophobicContact CB-CG 4.21Å; V404-L442 HydrophobicContact CB-CD2 4.32Å; V404-L442 HydrophobicContact CG1-CD2 3.7Å; K405-L442 PolarHBondContact NZ-O 3.27Å; I412-L442 HydrophobicContact CB-CD1 4.29Å; I412-L442 HydrophobicContact CG1-CD1 4.2Å; I412-L442 HydrophobicContact CG1-CD2 4.1Å; V438-L442 HydrophobicContact CG1-CD1 4Å; V438-L442 HydrophobicContact CG1-CG 4.46Å; V438-L442 PolarHBondContact O-N 3.45Å

Retrieved 442 of 442 residues in 95.8 ms (Link to these results)

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