A0A087XET0_POEFO Loading...

Leucine carboxyl methyltransferase 1

Methylates the carboxyl group of the C-terminal leucine residue of protein phosphatase 2A catalytic subunits to form alpha-leucine ester residues.

AlphaFold DB , UniProt , Accession A0A087XET0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 341 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	S	31.5	Very low	28.1	Very low	176 Å²	176	145.1 Å²	145.1	100%	1.231	81%	0.807	S	S	*	*				0	83.4	0	32.9	0	0	0	0	108.8
2	R	20.8	Very low	28.2	Very low	236 Å²	236	139.5 Å²	139.5	89%	0.891	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-98.1	140.3	178.8	-74.6	-178.5	176.5	-167.7	-1	108.4
3	P	24.4	Very low	28.2	Very low	126 Å²	126	138.6 Å²	138.6	82%	0.818	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-69	132.2	172.8	11.8	-2.8	0	0	0	109.7	S5	P3-S5 PolarHBondContact O-N 3.37Å
4	V	29.5	Very low	28.2	Very low	119 Å²	119	134 Å²	134	72%	0.721	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-69.1	117.9	178.8	178.5	0	0	0	0	108.7
5	S	27	Very low	28.1	Very low	83 Å²	83	133.1 Å²	133.1	58%	0.58	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-86.4	116.4	175.4	174.3	0	0	0	0	108.7	P3 C7	P3-S5 PolarHBondContact O-N 3.37Å; S5-C7 PolarHBondContact O-N 3.29Å; S5-C7 PolarHBondContact OG-SG 3.33Å
6	C	30.6	Very low	28.5	Very low	115 Å²	115	132.8 Å²	132.8	78%	0.777	81%	0.813	S	S	*	*			trans	-66.8	83.2	162.6	-94.1	0	0	0	0	109
7	C	31.3	Very low	29.3	Very low	83 Å²	83	136.7 Å²	136.7	56%	0.561	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-98.4	118.4	176.2	-90.8	0	0	0	0	111.1	S5	S5-C7 PolarHBondContact O-N 3.29Å; S5-C7 PolarHBondContact OG-SG 3.33Å
8	T	31.2	Very low	29.4	Very low	115 Å²	115	134.6 Å²	134.6	71%	0.706	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-95	138.5	136.4	45.9	0	0	0	0	107.8
9	H	27.8	Very low	29.6	Very low	170 Å²	170	132.6 Å²	132.6	79%	0.787	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-85.5	128	-173.9	-85.2	18.1	0	0	0	112.2
10	S	27.7	Very low	30.2	Very low	122 Å²	122	138.6 Å²	138.6	85%	0.853	83%	0.828	S	S	*	*			trans	-142.4	117.4	148.6	60.5	0	0	0	0	109.1
11	R	27.6	Very low	30.4	Very low	251 Å²	251	140.9 Å²	140.9	95%	0.947	83%	0.83	S	S	*	*			trans	-76.3	130.5	178.5	-74.5	179.9	174.1	-176.7	-1.7	110.2
12	G	28.4	Very low	31.2	Very low	78 Å²	78	137.7 Å²	137.7	80%	0.804	81%	0.805	S	S	*	*			trans	-147.3	125.7	167	0	0	0	0	0	110.3
13	S	29.1	Very low	32.1	Very low	128 Å²	128	136.1 Å²	136.1	90%	0.895	81%	0.805	S	S	*	*			trans	-67.3	145.4	-177.9	45.3	0	0	0	0	113.7
14	G	27.4	Very low	33.3	Very low	74 Å²	74	133.4 Å²	133.4	76%	0.763	79%	0.793	S	S	*	*			trans	-92.1	164.2	-171.7	0	0	0	0	0	117.6
15	S	27.8	Very low	34.9	Very low	121 Å²	121	133.1 Å²	133.1	85%	0.846	79%	0.788	S	S	*	*			trans	178.5	169.2	144.6	-78.3	0	0	0	0	109.4
16	P	33.9	Very low	36.7	Very low	127 Å²	127	132.2 Å²	132.2	83%	0.825	79%	0.785	S	S	*	*				-101.9	172.8	-98.8	20.8	2.2	0	0	0	114.8	A18	P16-A18 PolarHBondContact O-N 3.11Å
17	M	42	Very low	38.7	Very low	200 Å²	200	131.9 Å²	131.9	99%	0.985	78%	0.776	S	S	*	*			trans	-37.1	120.6	-178.4	-73.7	-172.2	153.5	0	0	116
18	A	31.2	Very low	40.7	Very low	98 Å²	98	130.8 Å²	130.8	81%	0.81	77%	0.767	S	S	*	*			trans	-118.2	141.8	160.1	0	0	0	0	0	109.6	P16	P16-A18 PolarHBondContact O-N 3.11Å
19	A	33.4	Very low	42.7	Very low	97 Å²	97	126.8 Å²	126.8	80%	0.802	75%	0.745	S	S	*	*			trans	-54.7	147.3	-170.5	0	0	0	0	0	114.4	Q21	A19-Q21 PolarHBondContact O-N 3.2Å; A19-Q21 VanDerWaalsContact O-N 3.15Å
20	R	40.7	Very low	45.3	Very low	252 Å²	252	119.7 Å²	119.7	95%	0.951	71%	0.713	S	S	*	*			trans	-47.2	113.9	171.9	-75.6	174.9	164.7	177.4	-6.2	111
21	Q	35.3	Very low	48	Very low	188 Å²	188	119.5 Å²	119.5	88%	0.879	70%	0.699	S	S	*	*			trans	-90.7	128.8	160.8	-81.2	-171.5	-25.2	0	0	109.4	A19	A19-Q21 PolarHBondContact O-N 3.2Å; A19-Q21 VanDerWaalsContact O-N 3.15Å
22	P	47.4	Very low	50.5	Low	108 Å²	108	108.2 Å²	108.2	70%	0.701	66%	0.659	S	S	*	*			trans	-88.4	132.2	178.4	34	-29	0	0	0	110.4
23	F	40.9	Very low	53	Low	203 Å²	203	105.7 Å²	105.7	89%	0.89	63%	0.628	S	S	*	*	S	Bend	trans	68.4	120.9	176.3	-63.3	-86.2	0	0	0	116.2
24	A	48.3	Very low	55.8	Low	70 Å²	70	102.5 Å²	102.5	58%	0.579	60%	0.596	S	S	*	*			trans	-63.3	145.9	166.1	0	0	0	0	0	109.4
25	D	64.6	Low	58.7	Low	113 Å²	113	101.2 Å²	101.2	60%	0.604	58%	0.578	S	S	*	*			trans	-52.9	141.6	170.5	-165.6	-6.8	0	0	0	109.8	D27 T28 A29	D25-D27 PolarHBondContact O-N 3.32Å; D25-T28 WeakPolarHBondContact O-CA 3.49Å; D25-T28 WeakPolarHBondContact O-CB 3.19Å; D25-T28 PolarHBondContact O-N 3.18Å; D25-A29 PolarHBondContact O-N 3.43Å
26	A	64.2	Low	61.5	Low	63 Å²	63	96.7 Å²	96.7	52%	0.521	55%	0.545	S	S	.	.	H	α-helix	trans	-57.8	-36.5	-173.4	0	0	0	0	0	111.5	A29 D30	A26-A29 PolarHBondContact O-N 3.31Å; A26-D30 WeakPolarHBondContact O-CB 3.42Å; A26-D30 PolarHBondContact O-N 3Å
27	D	73.1	Confident	64.3	Low	108 Å²	108	91.3 Å²	91.3	58%	0.578	51%	0.51	S	S	*	.	H	α-helix	trans	-65.7	-37.4	175.4	-76.7	-16.8	0	0	0	112.5	D25 D30 E31	D25-D27 PolarHBondContact O-N 3.32Å; D27-D30 PolarHBondContact O-N 3.05Å; D27-E31 WeakPolarHBondContact O-CG 3.34Å; D27-E31 PolarHBondContact O-N 3.38Å
28	T	72.3	Confident	66.6	Low	61 Å²	61	84.8 Å²	84.8	37%	0.374	48%	0.479	S	S	.	.	H	α-helix	trans	-69.9	-39.2	176.7	-56.8	0	0	0	0	111.3	D25 E31 A32	D25-T28 WeakPolarHBondContact O-CA 3.49Å; D25-T28 WeakPolarHBondContact O-CB 3.19Å; D25-T28 PolarHBondContact O-N 3.18Å; T28-E31 PolarHBondContact O-N 3.34Å; T28-A32 PolarHBondContact O-N 3.23Å; T28-A32 VanDerWaalsContact O-N 3.13Å
29	A	73.8	Confident	69.4	Low	30 Å²	30	84.3 Å²	84.3	25%	0.248	46%	0.463	C	S	.	.	H	α-helix	trans	-63.3	-43.7	174	0	0	0	0	0	111	D25 A26 E31 A32 V33	D25-A29 PolarHBondContact O-N 3.43Å; A26-A29 PolarHBondContact O-N 3.31Å; A29-E31 PolarHBondContact O-N 2.98Å; A29-A32 PolarHBondContact O-N 3.2Å; A29-V33 WeakPolarHBondContact O-CG2 3.37Å; A29-V33 PolarHBondContact O-N 3.26Å
30	D	82.1	Confident	72.2	Confident	22 Å²	22	80.6 Å²	80.6	12%	0.118	43%	0.433	C	S	.	.	H	α-helix	trans	-66.3	-36.2	177.6	-74.1	-0.4	0	0	0	112.2	A26 D27 V33 R34 R180	A26-D30 WeakPolarHBondContact O-CB 3.42Å; A26-D30 PolarHBondContact O-N 3Å; D27-D30 PolarHBondContact O-N 3.05Å; D30-V33 PolarHBondContact O-N 3.13Å; D30-R34 VanDerWaalsContact O-CG 3.28Å; D30-R34 WeakPolarHBondContact O-CG 3.42Å; D30-R34 PolarHBondContact O-N 3.2Å; D30-R180 IonicContact OD1-CZ 2.66Å; D30-R180 IonicContact OD1-NH1 3.08Å; D30-R180 PolarHBondContact OD1-NH1 2.99Å; D30-R180 IonicContact OD1-NH2 3.29Å; D30-R180 IonicContact OD2-CZ 3.3Å; D30-R180 IonicContact OD2-NH1 2.67Å; D30-R180 PolarHBondContact OD2-NH1 2.98Å; D30-R180 IonicContact OD2-NH2 3.07Å; D30-R180 PolarHBondContact OD2-NH2 3.48Å
31	E	84.2	Confident	74.8	Confident	118 Å²	118	69 Å²	69	55%	0.551	39%	0.39	S	S	*	.	H	α-helix	trans	-58.4	-47.3	171.3	-81.1	-178.9	179.7	0	0	112.2	D27 T28 A29 R34 A35	D27-E31 WeakPolarHBondContact O-CG 3.34Å; D27-E31 PolarHBondContact O-N 3.38Å; T28-E31 PolarHBondContact O-N 3.34Å; A29-E31 PolarHBondContact O-N 2.98Å; E31-R34 PolarHBondContact O-N 3.42Å; E31-A35 PolarHBondContact O-N 2.87Å
32	A	79.9	Confident	77.6	Confident	13 Å²	13	61.6 Å²	61.6	11%	0.107	36%	0.358	C	S	.	.	H	α-helix	trans	-65.5	-39.8	178.1	0	0	0	0	0	112.1	T28 A29 A35 T36 C256	T28-A32 PolarHBondContact O-N 3.23Å; T28-A32 VanDerWaalsContact O-N 3.13Å; A29-A32 PolarHBondContact O-N 3.2Å; A32-A35 WeakPolarHBondContact O-CB 2.74Å; A32-A35 PolarHBondContact O-N 2.72Å; A32-T36 WeakPolarHBondContact O-CG2 3.4Å; A32-T36 PolarHBondContact O-N 2.84Å; A32-C256 HydrophobicContact CB-CB 4.16Å; A32-C256 WeakPolarHBondContact CB-O 3.33Å
33	V	82.3	Confident	79.9	Confident	25 Å²	25	57 Å²	57	15%	0.152	33%	0.328	C	S	.	.	H	α-helix	trans	-61.2	-44.6	174.3	171.1	0	0	0	0	110.5	A29 D30 A35 T36 F130 Y210	A29-V33 WeakPolarHBondContact O-CG2 3.37Å; A29-V33 PolarHBondContact O-N 3.26Å; D30-V33 PolarHBondContact O-N 3.13Å; V33-A35 VanDerWaalsContact C-N 3.29Å; V33-A35 PolarHBondContact O-N 3.11Å; V33-T36 WeakPolarHBondContact O-CB 3.43Å; V33-T36 WeakPolarHBondContact O-CG2 3.32Å; V33-T36 PolarHBondContact O-N 2.98Å; V33-T36 VanDerWaalsContact O-N 3.11Å; V33-T36 PolarHBondContact O-OG1 2.92Å; V33-F130 HydrophobicContact CG1-CE2 4.25Å; V33-Y210 HydrophobicContact CG1-CD2 4.11Å; V33-Y210 HydrophobicContact CG1-CG 4.09Å; V33-Y210 HydrophobicContact CG2-CD1 4.29Å; V33-Y210 HydrophobicContact CG2-CG 4.21Å
34	R	87.9	Confident	82.6	Confident	62 Å²	62	48.4 Å²	48.4	23%	0.234	29%	0.29	C	S	.	.	H	α-helix	trans	-61.7	-35.7	175.6	-72	-173	-62	-94	8.5	112.8	D30 E31 T36 C37 F130 T132 V133	D30-R34 VanDerWaalsContact O-CG 3.28Å; D30-R34 WeakPolarHBondContact O-CG 3.42Å; D30-R34 PolarHBondContact O-N 3.2Å; E31-R34 PolarHBondContact O-N 3.42Å; R34-T36 PolarHBondContact O-N 3.36Å; R34-C37 WeakPolarHBondContact O-CB 3.43Å; R34-C37 PolarHBondContact O-N 2.97Å; R34-F130 HydrophobicContact CG-CB 4.36Å; R34-F130 HydrophobicContact CG-CD2 3.83Å; R34-F130 HydrophobicContact CG-CE2 4.48Å; R34-F130 HydrophobicContact CG-CG 4.3Å; R34-T132 WeakPolarHBondContact CD-OG1 3.23Å; R34-V133 HydrophobicContact CB-CG2 4.46Å; R34-V133 HydrophobicContact CG-CG2 4.23Å
35	A	87.9	Confident	84.9	Confident	46 Å²	46	47 Å²	47	38%	0.38	27%	0.27	S	S	.	.	H	α-helix	trans	-64.3	-25	177.2	0	0	0	0	0	112.9	E31 A32 V33 C37 D38 D39	E31-A35 PolarHBondContact O-N 2.87Å; A32-A35 WeakPolarHBondContact O-CB 2.74Å; A32-A35 PolarHBondContact O-N 2.72Å; V33-A35 VanDerWaalsContact C-N 3.29Å; V33-A35 PolarHBondContact O-N 3.11Å; A35-C37 PolarHBondContact O-N 3.16Å; A35-D38 PolarHBondContact O-N 3.16Å; A35-D39 PolarHBondContact O-N 2.9Å
36	T	86.8	Confident	86.4	Confident	27 Å²	27	42.2 Å²	42.2	17%	0.166	24%	0.244	C	C	.	.	H	α-helix	trans	-62.6	-25.1	176	72	0	0	0	0	113	A32 V33 R34 D38 D39 A40 Y210	A32-T36 WeakPolarHBondContact O-CG2 3.4Å; A32-T36 PolarHBondContact O-N 2.84Å; V33-T36 WeakPolarHBondContact O-CB 3.43Å; V33-T36 WeakPolarHBondContact O-CG2 3.32Å; V33-T36 PolarHBondContact O-N 2.98Å; V33-T36 VanDerWaalsContact O-N 3.11Å; V33-T36 PolarHBondContact O-OG1 2.92Å; R34-T36 PolarHBondContact O-N 3.36Å; T36-D38 VanDerWaalsContact C-N 3.32Å; T36-D38 PolarHBondContact O-N 2.89Å; T36-D39 PolarHBondContact O-N 3.45Å; T36-A40 WeakPolarHBondContact O-CB 3.36Å; T36-A40 PolarHBondContact O-N 3.46Å; T36-Y210 HydrophobicContact CG2-CE1 4.1Å; T36-Y210 HydrophobicContact CG2-CE2 4.4Å
37	C	91.8	Very high	88	Confident	13 Å²	13	39.2 Å²	39.2	9%	0.088	22%	0.219	C	C	.	.	H	α-helix	trans	-59.6	-43.2	171.3	179.8	0	0	0	0	111.2	R34 A35 T41 G107 R136	R34-C37 WeakPolarHBondContact O-CB 3.43Å; R34-C37 PolarHBondContact O-N 2.97Å; A35-C37 PolarHBondContact O-N 3.16Å; C37-T41 VanDerWaalsContact O-CB 3.32Å; C37-T41 WeakPolarHBondContact O-CB 3.47Å; C37-T41 PolarHBondContact O-N 2.99Å; C37-T41 PolarHBondContact O-OG1 2.79Å; C37-G107 WeakPolarHBondContact SG-CA 3.37Å; C37-R136 PolarHBondContact SG-NH2 2.78Å
38	D	90.3	Very high	89.1	Confident	63 Å²	63	34.9 Å²	34.9	34%	0.337	20%	0.197	S	C	.	.	H	α-helix	trans	-70.7	-39.4	-179.5	-68.7	-24.2	0	0	0	111.9	A35 T36 T41 T42 R136	A35-D38 PolarHBondContact O-N 3.16Å; T36-D38 VanDerWaalsContact C-N 3.32Å; T36-D38 PolarHBondContact O-N 2.89Å; D38-T41 PolarHBondContact O-N 3.43Å; D38-T42 VanDerWaalsContact O-CB 3.26Å; D38-T42 WeakPolarHBondContact O-CB 3.19Å; D38-T42 PolarHBondContact O-N 3.28Å; D38-T42 PolarHBondContact O-OG1 3.43Å; D38-R136 VanDerWaalsContact CG-NH1 3.28Å; D38-R136 IonicContact OD1-CZ 2.79Å; D38-R136 IonicContact OD1-NH1 2.77Å; D38-R136 PolarHBondContact OD1-NH1 2.95Å; D38-R136 IonicContact OD1-NH2 3.15Å; D38-R136 PolarHBondContact OD1-NH2 3.11Å; D38-R136 IonicContact OD2-CZ 2.69Å; D38-R136 IonicContact OD2-NH1 2.97Å; D38-R136 PolarHBondContact OD2-NH1 2.99Å; D38-R136 IonicContact OD2-NH2 3.82Å
39	D	90	Very high	90.3	Very high	88 Å²	88	34.6 Å²	34.6	47%	0.471	20%	0.197	S	C	.	.	H	α-helix	trans	-61.5	-49.1	175.2	-83.5	-12.2	0	0	0	111.5	A35 T36 T42 C43	A35-D39 PolarHBondContact O-N 2.9Å; T36-D39 PolarHBondContact O-N 3.45Å; D39-T42 PolarHBondContact O-N 3.18Å; D39-C43 PolarHBondContact O-N 3.12Å; D39-C43 PolarHBondContact O-SG 2.94Å
40	A	93.4	Very high	91.4	Very high	20 Å²	20	37.6 Å²	37.6	17%	0.165	20%	0.204	C	C	.	.	H	α-helix	trans	-62.5	-46.4	178.7	0	0	0	0	0	111.5	T36 T42 C43 K44 Y77	T36-A40 WeakPolarHBondContact O-CB 3.36Å; T36-A40 PolarHBondContact O-N 3.46Å; A40-T42 VanDerWaalsContact C-N 3.35Å; A40-T42 PolarHBondContact O-N 3.18Å; A40-C43 PolarHBondContact O-N 3.13Å; A40-K44 WeakPolarHBondContact O-CG 3.47Å; A40-K44 PolarHBondContact O-N 2.84Å; A40-Y77 WeakPolarHBondContact CA-OH 3.45Å
41	T	94.2	Very high	92.1	Very high	8 Å²	8	38 Å²	38	5%	0.049	22%	0.215	C	C	.	.	H	α-helix	trans	-65.4	-39.4	-178.8	-49.4	0	0	0	0	111.3	C37 D38 K44 R45 L58 V62 L108	C37-T41 VanDerWaalsContact O-CB 3.32Å; C37-T41 WeakPolarHBondContact O-CB 3.47Å; C37-T41 PolarHBondContact O-N 2.99Å; C37-T41 PolarHBondContact O-OG1 2.79Å; D38-T41 PolarHBondContact O-N 3.43Å; T41-K44 PolarHBondContact O-N 3.01Å; T41-R45 VanDerWaalsContact O-CB 3.24Å; T41-R45 WeakPolarHBondContact O-CB 3.36Å; T41-R45 PolarHBondContact O-N 2.81Å; T41-L58 HydrophobicContact CG2-CD1 3.59Å; T41-V62 HydrophobicContact CG2-CB 4.4Å; T41-V62 HydrophobicContact CG2-CG2 3.23Å; T41-L108 HydrophobicContact CG2-CB 3.92Å; T41-L108 HydrophobicContact CG2-CD1 4.08Å
42	T	94.5	Very high	92.8	Very high	32 Å²	32	32.4 Å²	32.4	20%	0.196	19%	0.188	C	C	.	.	H	α-helix	trans	-66.2	-40.3	176.2	-58.9	0	0	0	0	111.8	D38 D39 A40 R45 F46	D38-T42 VanDerWaalsContact O-CB 3.26Å; D38-T42 WeakPolarHBondContact O-CB 3.19Å; D38-T42 PolarHBondContact O-N 3.28Å; D38-T42 PolarHBondContact O-OG1 3.43Å; D39-T42 PolarHBondContact O-N 3.18Å; A40-T42 VanDerWaalsContact C-N 3.35Å; A40-T42 PolarHBondContact O-N 3.18Å; T42-R45 PolarHBondContact O-N 3.07Å; T42-F46 WeakPolarHBondContact O-CB 3.38Å; T42-F46 PolarHBondContact O-N 3.15Å
43	C	95.8	Very high	93.6	Very high	13 Å²	13	33 Å²	33	9%	0.088	19%	0.188	C	C	.	.	H	α-helix	trans	-66.7	-45.3	176.2	-64.8	0	0	0	0	112	D39 A40 R45 F46 A47 Y77	D39-C43 PolarHBondContact O-N 3.12Å; D39-C43 PolarHBondContact O-SG 2.94Å; A40-C43 PolarHBondContact O-N 3.13Å; C43-R45 VanDerWaalsContact C-N 3.28Å; C43-R45 PolarHBondContact O-N 2.61Å; C43-F46 PolarHBondContact O-N 2.79Å; C43-A47 PolarHBondContact O-N 3.26Å; C43-Y77 HydrophobicContact CB-CD1 4.4Å; C43-Y77 HydrophobicContact CB-CD2 3.67Å; C43-Y77 HydrophobicContact CB-CE1 4.03Å; C43-Y77 HydrophobicContact CB-CE2 3.24Å; C43-Y77 HydrophobicContact CB-CG 4.23Å; C43-Y77 VanDerWaalsContact CB-CZ 3.44Å
44	K	97.1	Very high	94.3	Very high	22 Å²	22	39.9 Å²	39.9	10%	0.096	22%	0.215	C	C	.	.	H	α-helix	trans	-57.9	-41.7	172.5	-72.5	-177.2	176.9	-176	0	110.6	A40 T41 A47 T48 W53 L58 Y77 D109 E205	A40-K44 WeakPolarHBondContact O-CG 3.47Å; A40-K44 PolarHBondContact O-N 2.84Å; T41-K44 PolarHBondContact O-N 3.01Å; K44-A47 PolarHBondContact O-N 2.99Å; K44-T48 VanDerWaalsContact O-CG2 3.29Å; K44-T48 WeakPolarHBondContact O-CG2 3.34Å; K44-T48 PolarHBondContact O-N 2.87Å; K44-T48 PolarHBondContact O-OG1 3.2Å; K44-W53 HydrophobicContact CB-CH2 4.38Å; K44-W53 HydrophobicContact CB-CZ2 3.92Å; K44-W53 HydrophobicContact CG-CH2 4.4Å; K44-W53 HydrophobicContact CG-CZ2 4.07Å; K44-L58 VanDerWaalsContact C-CD2 3.46Å; K44-L58 HydrophobicContact CB-CD2 3.69Å; K44-Y77 HydrophobicContact CG-CD1 3.79Å; K44-Y77 HydrophobicContact CG-CE1 4.06Å; K44-D109 IonicContact NZ-OD2 2.94Å; K44-D109 PolarHBondContact NZ-OD2 3.38Å; K44-E205 VanDerWaalsContact CE-OE1 3.24Å; K44-E205 WeakPolarHBondContact CE-OE1 3.35Å; K44-E205 IonicContact NZ-OE1 3.88Å; K44-E205 PolarHBondContact NZ-OE1 3.04Å; K44-E205 IonicContact NZ-OE2 3.8Å; K44-E205 PolarHBondContact NZ-OE2 3.19Å
45	R	96.3	Very high	94.7	Very high	40 Å²	40	38.3 Å²	38.3	15%	0.151	21%	0.212	C	C	.	.	H	α-helix	trans	-67.6	-39.3	179.1	-177	57.9	-177.7	154.5	-0.3	112.6	T41 T42 C43 T48 S49 L58	T41-R45 VanDerWaalsContact O-CB 3.24Å; T41-R45 WeakPolarHBondContact O-CB 3.36Å; T41-R45 PolarHBondContact O-N 2.81Å; T42-R45 PolarHBondContact O-N 3.07Å; C43-R45 VanDerWaalsContact C-N 3.28Å; C43-R45 PolarHBondContact O-N 2.61Å; R45-T48 WeakPolarHBondContact CA-OG1 3.11Å; R45-T48 PolarHBondContact O-OG1 2.97Å; R45-S49 WeakPolarHBondContact O-CB 3.08Å; R45-S49 PolarHBondContact O-N 3.39Å; R45-S49 VanDerWaalsContact O-N 3.11Å; R45-L58 HydrophobicContact CB-CD2 4.06Å; R45-L58 HydrophobicContact CB-CG 4.29Å
46	F	97	Very high	95	Very high	12 Å²	12	37.9 Å²	37.9	5%	0.053	21%	0.206	C	C	.	.	H	α-helix	trans	-63.9	-50.6	175.3	-170.5	-89.1	0	0	0	111.2	T42 C43 T48 S49 K50 V65 E67 R68 K69 N74	T42-F46 WeakPolarHBondContact O-CB 3.38Å; T42-F46 PolarHBondContact O-N 3.15Å; C43-F46 PolarHBondContact O-N 2.79Å; F46-T48 PolarHBondContact O-N 2.86Å; F46-S49 WeakPolarHBondContact O-CB 3.36Å; F46-S49 PolarHBondContact O-N 3.01Å; F46-S49 VanDerWaalsContact O-N 3.15Å; F46-S49 PolarHBondContact O-OG 3.11Å; F46-K50 HydrophobicContact CD1-CG 4.3Å; F46-K50 HydrophobicContact CE1-CG 3.88Å; F46-K50 VanDerWaalsContact CZ-CE 3.49Å; F46-K50 HydrophobicContact CZ-CG 4.35Å; F46-K50 PolarHBondContact O-N 3.4Å; F46-V65 HydrophobicContact CD2-CG1 3.62Å; F46-V65 WeakPolarHBondContact CD2-O 3.29Å; F46-V65 HydrophobicContact CE2-CG1 4.15Å; F46-V65 HydrophobicContact CG-CG1 4.38Å; F46-E67 WeakPolarHBondContact CD2-O 3.33Å; F46-R68 HydrophobicContact CE2-CB 4.42Å; F46-R68 HydrophobicContact CZ-CB 4.21Å; F46-R68 HydrophobicContact CZ-CG 4.02Å; F46-K69 HydrophobicContact CB-CG 3.97Å; F46-K69 HydrophobicContact CD1-CB 3.79Å; F46-K69 HydrophobicContact CD1-CG 3.82Å; F46-K69 HydrophobicContact CD2-CG 4.49Å; F46-K69 HydrophobicContact CE1-CB 4.13Å; F46-K69 HydrophobicContact CG-CB 4.31Å; F46-K69 HydrophobicContact CG-CG 3.82Å; F46-N74 WeakPolarHBondContact CD1-OD1 3.41Å
47	A	97.6	Very high	95.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.7	-40.9	-179	0	0	0	0	0	112.6	C43 K44 S49 K50 G51 Y52 W53 N74	C43-A47 PolarHBondContact O-N 3.26Å; K44-A47 PolarHBondContact O-N 2.99Å; A47-S49 VanDerWaalsContact C-N 3.34Å; A47-S49 PolarHBondContact O-N 3.07Å; A47-K50 WeakPolarHBondContact O-CB 3.5Å; A47-K50 PolarHBondContact O-N 2.8Å; A47-K50 VanDerWaalsContact O-N 3.13Å; A47-G51 PolarHBondContact O-N 2.91Å; A47-Y52 HydrophobicContact CB-CD2 4.15Å; A47-Y52 HydrophobicContact CB-CG 4.32Å; A47-Y52 WeakPolarHBondContact O-CD2 3.4Å; A47-Y52 PolarHBondContact O-N 3.42Å; A47-Y52 VanDerWaalsContact O-N 3.12Å; A47-W53 HydrophobicContact CB-CE3 4.42Å; A47-W53 HydrophobicContact CB-CH2 3.51Å; A47-W53 HydrophobicContact CB-CZ3 3.44Å; A47-W53 VanDerWaalsContact CB-CZ3 3.44Å; A47-N74 HydrophobicContact CB-CB 4.22Å
48	T	96.9	Very high	95.7	Very high	17 Å²	17	36.3 Å²	36.3	10%	0.104	20%	0.196	C	C	.	.	H	α-helix	trans	-63.8	-37.1	174	50	0	0	0	0	112.6	K44 R45 F46 K50 G51 W53 D55 L58	K44-T48 VanDerWaalsContact O-CG2 3.29Å; K44-T48 WeakPolarHBondContact O-CG2 3.34Å; K44-T48 PolarHBondContact O-N 2.87Å; K44-T48 PolarHBondContact O-OG1 3.2Å; R45-T48 WeakPolarHBondContact CA-OG1 3.11Å; R45-T48 PolarHBondContact O-OG1 2.97Å; F46-T48 PolarHBondContact O-N 2.86Å; T48-K50 PolarHBondContact O-N 2.99Å; T48-G51 PolarHBondContact O-N 3.37Å; T48-W53 HydrophobicContact CG2-CD2 3.85Å; T48-W53 HydrophobicContact CG2-CG 4.12Å; T48-W53 HydrophobicContact CG2-CH2 4.45Å; T48-W53 HydrophobicContact CG2-CZ2 3.62Å; T48-D55 HydrophobicContact CG2-CB 3.78Å; T48-L58 HydrophobicContact CG2-CD2 4.3Å
49	S	95.9	Very high	95.9	Very high	55 Å²	55	37.2 Å²	37.2	39%	0.385	20%	0.198	S	C	.	.	H	α-helix	trans	-64.1	-24	174.8	82.8	0	0	0	0	113.6	R45 F46 A47 V65	R45-S49 WeakPolarHBondContact O-CB 3.08Å; R45-S49 PolarHBondContact O-N 3.39Å; R45-S49 VanDerWaalsContact O-N 3.11Å; F46-S49 WeakPolarHBondContact O-CB 3.36Å; F46-S49 PolarHBondContact O-N 3.01Å; F46-S49 VanDerWaalsContact O-N 3.15Å; F46-S49 PolarHBondContact O-OG 3.11Å; A47-S49 VanDerWaalsContact C-N 3.34Å; A47-S49 PolarHBondContact O-N 3.07Å; S49-V65 WeakPolarHBondContact OG-CG1 3.29Å
50	K	97	Very high	96.2	Very high	93 Å²	93	36.6 Å²	36.6	40%	0.404	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-5.4	174.2	-65.8	-63.9	-171.9	175.7	0	113.1	F46 A47 T48 Y52	F46-K50 HydrophobicContact CD1-CG 4.3Å; F46-K50 HydrophobicContact CE1-CG 3.88Å; F46-K50 VanDerWaalsContact CZ-CE 3.49Å; F46-K50 HydrophobicContact CZ-CG 4.35Å; F46-K50 PolarHBondContact O-N 3.4Å; A47-K50 WeakPolarHBondContact O-CB 3.5Å; A47-K50 PolarHBondContact O-N 2.8Å; A47-K50 VanDerWaalsContact O-N 3.13Å; T48-K50 PolarHBondContact O-N 2.99Å; K50-Y52 HydrophobicContact CB-CD2 3.84Å; K50-Y52 HydrophobicContact CB-CE2 3.95Å
51	G	97.4	Very high	96.2	Very high	32 Å²	32	36 Å²	36	33%	0.33	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.7	20.8	178.7	0	0	0	0	0	114.6	A47 T48 W53 R302	A47-G51 PolarHBondContact O-N 2.91Å; T48-G51 PolarHBondContact O-N 3.37Å; G51-W53 VanDerWaalsContact C-N 3.33Å; G51-W53 PolarHBondContact O-N 3.39Å; G51-R302 PolarHBondContact O-NH1 3.16Å
52	Y	98.3	Very high	96	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	-60.6	-43.3	175.3	-82.8	-97.4	0	0	0	111.5	A47 K50 N74 R75 Y78 R302 I303 L306 E307	A47-Y52 HydrophobicContact CB-CD2 4.15Å; A47-Y52 HydrophobicContact CB-CG 4.32Å; A47-Y52 WeakPolarHBondContact O-CD2 3.4Å; A47-Y52 PolarHBondContact O-N 3.42Å; A47-Y52 VanDerWaalsContact O-N 3.12Å; K50-Y52 HydrophobicContact CB-CD2 3.84Å; K50-Y52 HydrophobicContact CB-CE2 3.95Å; Y52-N74 HydrophobicContact CD1-CB 4.44Å; Y52-N74 HydrophobicContact CD2-CB 3.99Å; Y52-N74 HydrophobicContact CE1-CB 3.9Å; Y52-N74 HydrophobicContact CE2-CB 3.4Å; Y52-N74 VanDerWaalsContact CE2-CB 3.4Å; Y52-N74 HydrophobicContact CG-CB 4.47Å; Y52-N74 WeakPolarHBondContact OH-CB 3.11Å; Y52-R75 HydrophobicContact CE1-CB 4.49Å; Y52-R75 HydrophobicContact CE1-CG 3.78Å; Y52-Y78 HydrophobicContact CD1-CG 4.23Å; Y52-Y78 WeakPolarHBondContact O-CD2 3.37Å; Y52-R302 PolarHBondContact O-NH2 3.2Å; Y52-I303 HydrophobicContact CD1-CB 3.88Å; Y52-I303 HydrophobicContact CD1-CD1 4.47Å; Y52-I303 HydrophobicContact CD1-CG2 4.21Å; Y52-I303 HydrophobicContact CE1-CB 4.14Å; Y52-I303 HydrophobicContact CE1-CD1 4.23Å; Y52-I303 WeakPolarHBondContact O-CG2 3.4Å; Y52-L306 HydrophobicContact CD1-CD1 4.45Å; Y52-L306 HydrophobicContact CD2-CD1 3.97Å; Y52-L306 HydrophobicContact CE2-CD1 4.23Å; Y52-L306 HydrophobicContact CG-CD1 4.1Å; Y52-E307 WeakPolarHBondContact CE2-OE2 3.11Å; Y52-E307 PolarHBondContact OH-OE2 2.79Å
53	W	97.9	Very high	95.4	Very high	25 Å²	25	46 Å²	46	10%	0.095	22%	0.219	C	C	.	.	S	Bend	trans	-146.5	169.2	167.2	66.4	97.8	0	0	0	110.2	K44 A47 T48 G51 Y78 V81	K44-W53 HydrophobicContact CB-CH2 4.38Å; K44-W53 HydrophobicContact CB-CZ2 3.92Å; K44-W53 HydrophobicContact CG-CH2 4.4Å; K44-W53 HydrophobicContact CG-CZ2 4.07Å; A47-W53 HydrophobicContact CB-CE3 4.42Å; A47-W53 HydrophobicContact CB-CH2 3.51Å; A47-W53 HydrophobicContact CB-CZ3 3.44Å; A47-W53 VanDerWaalsContact CB-CZ3 3.44Å; T48-W53 HydrophobicContact CG2-CD2 3.85Å; T48-W53 HydrophobicContact CG2-CG 4.12Å; T48-W53 HydrophobicContact CG2-CH2 4.45Å; T48-W53 HydrophobicContact CG2-CZ2 3.62Å; G51-W53 VanDerWaalsContact C-N 3.33Å; G51-W53 PolarHBondContact O-N 3.39Å; W53-Y78 HydrophobicContact CE3-CD2 4.38Å; W53-V81 HydrophobicContact CD2-CG1 4.35Å; W53-V81 HydrophobicContact CG-CG1 4.45Å; W53-V81 HydrophobicContact CH2-CG2 4.16Å; W53-V81 HydrophobicContact CZ2-CG2 3.89Å
54	K	96.9	Very high	94.9	Very high	169 Å²	169	49.1 Å²	49.1	74%	0.735	24%	0.241	S	C	*	.			trans	-90.6	129.6	176.6	-174.9	-172.1	173	-153.8	0	110	E117	K54-E117 IonicContact NZ-OE2 2.68Å
55	D	96.7	Very high	94.3	Very high	30 Å²	30	50.4 Å²	50.4	16%	0.16	25%	0.251	C	S	.	.			trans	-146.5	108	169.1	-171	-33.8	0	0	0	108.9	T48 S57 L58 T110	T48-D55 HydrophobicContact CG2-CB 3.78Å; D55-S57 PolarHBondContact OD1-N 3.5Å; D55-L58 HydrophobicContact CB-CB 4.23Å; D55-L58 VanDerWaalsContact CG-CB 3.5Å; D55-L58 WeakPolarHBondContact OD1-CB 3.2Å; D55-L58 PolarHBondContact OD1-N 2.96Å; D55-T110 WeakPolarHBondContact OD2-CB 3.41Å; D55-T110 PolarHBondContact OD2-OG1 2.75Å
56	S	94.3	Very high	93.8	Very high	36 Å²	36	50.1 Å²	50.1	25%	0.252	26%	0.26	S	S	.	.	S	Bend	trans	-76.5	-23.6	-178.5	47.6	0	0	0	0	112.8	Q59 Y60 E117	S56-Q59 PolarHBondContact O-NE2 3.13Å; S56-Y60 WeakPolarHBondContact O-CE2 3.34Å; S56-E117 PolarHBondContact OG-OE1 2.74Å
57	S	96.5	Very high	93.4	Very high	6 Å²	6	56.1 Å²	56.1	4%	0.042	29%	0.288	C	S	.	.	S	Bend	trans	-96.6	-32	-168.7	-70.2	0	0	0	0	113.5	D55 Q59 Y60 W113	D55-S57 PolarHBondContact OD1-N 3.5Å; S57-Q59 PolarHBondContact O-N 3.18Å; S57-Y60 WeakPolarHBondContact O-CB 3.29Å; S57-Y60 WeakPolarHBondContact O-CD2 3.21Å; S57-Y60 PolarHBondContact O-N 3.28Å; S57-W113 WeakPolarHBondContact OG-CB 3.43Å; S57-W113 VanDerWaalsContact OG-CG 3.25Å
58	L	95.4	Very high	93.1	Very high	2 Å²	2	65.5 Å²	65.5	1%	0.01	32%	0.324	C	S	.	.	H	α-helix	trans	-57.7	-30.9	-173	-168.7	61	0	0	0	113.8	T41 K44 R45 T48 D55 Y60 F61 V62 T110	T41-L58 HydrophobicContact CG2-CD1 3.59Å; K44-L58 VanDerWaalsContact C-CD2 3.46Å; K44-L58 HydrophobicContact CB-CD2 3.69Å; R45-L58 HydrophobicContact CB-CD2 4.06Å; R45-L58 HydrophobicContact CB-CG 4.29Å; T48-L58 HydrophobicContact CG2-CD2 4.3Å; D55-L58 HydrophobicContact CB-CB 4.23Å; D55-L58 VanDerWaalsContact CG-CB 3.5Å; D55-L58 WeakPolarHBondContact OD1-CB 3.2Å; D55-L58 PolarHBondContact OD1-N 2.96Å; L58-Y60 PolarHBondContact O-N 2.79Å; L58-F61 PolarHBondContact O-N 2.89Å; L58-F61 VanDerWaalsContact O-N 3.14Å; L58-V62 PolarHBondContact O-N 2.68Å; L58-T110 HydrophobicContact CB-CG2 4.1Å; L58-T110 HydrophobicContact CD1-CG2 4.08Å
59	Q	94.8	Very high	93	Very high	81 Å²	81	67 Å²	67	38%	0.379	33%	0.329	S	S	.	.	H	α-helix	trans	-61.4	-22.2	176.4	69.5	-175	-28.5	0	0	114.5	S56 S57	S56-Q59 PolarHBondContact O-NE2 3.13Å; S57-Q59 PolarHBondContact O-N 3.18Å
60	Y	96.1	Very high	92.9	Very high	75 Å²	75	66.2 Å²	66.2	29%	0.294	33%	0.326	S	S	.	.	H	α-helix	trans	-84.9	-18.5	179.7	-59.3	-63	0	0	0	112.6	S56 S57 L58 H140 P146 L147	S56-Y60 WeakPolarHBondContact O-CE2 3.34Å; S57-Y60 WeakPolarHBondContact O-CB 3.29Å; S57-Y60 WeakPolarHBondContact O-CD2 3.21Å; S57-Y60 PolarHBondContact O-N 3.28Å; L58-Y60 PolarHBondContact O-N 2.79Å; Y60-H140 PolarHBondContact O-ND1 3.26Å; Y60-P146 HydrophobicContact CD2-CB 4.04Å; Y60-P146 HydrophobicContact CE1-CB 4.01Å; Y60-P146 HydrophobicContact CE1-CG 3.81Å; Y60-P146 HydrophobicContact CE2-CB 3.42Å; Y60-P146 VanDerWaalsContact CE2-CB 3.42Å; Y60-P146 HydrophobicContact CE2-CG 4.13Å; Y60-L147 HydrophobicContact CD2-CD2 3.91Å; Y60-L147 HydrophobicContact CD2-CG 4.11Å; Y60-L147 HydrophobicContact CG-CD1 4.5Å; Y60-L147 HydrophobicContact CG-CD2 4.35Å; Y60-L147 HydrophobicContact CG-CG 4.15Å
61	F	94.6	Very high	92.9	Very high	8 Å²	8	62.6 Å²	62.6	4%	0.035	31%	0.312	C	S	.	.	H	α-helix	trans	-91.5	-31.8	176	-66.8	-62.9	0	0	0	112.7	L58 L108 T110 W113 K137 H140 I141 L147	L58-F61 PolarHBondContact O-N 2.89Å; L58-F61 VanDerWaalsContact O-N 3.14Å; F61-L108 HydrophobicContact CB-CB 4.1Å; F61-L108 HydrophobicContact CB-CD1 4.18Å; F61-L108 HydrophobicContact CD1-CB 4.5Å; F61-L108 HydrophobicContact CD1-CD2 3.97Å; F61-L108 HydrophobicContact CG-CB 4.21Å; F61-L108 HydrophobicContact CG-CD2 4.48Å; F61-T110 HydrophobicContact CD2-CG2 3.98Å; F61-T110 HydrophobicContact CE2-CG2 4.02Å; F61-W113 HydrophobicContact CE2-CE3 4.36Å; F61-W113 AromaticContact CE2-CH2 3.81Å; F61-W113 HydrophobicContact CE2-CH2 3.81Å; F61-W113 HydrophobicContact CE2-CZ2 4.46Å; F61-W113 AromaticContact CE2-CZ3 3.73Å; F61-W113 HydrophobicContact CE2-CZ3 3.73Å; F61-W113 AromaticContact CZ-CH2 3.41Å; F61-W113 HydrophobicContact CZ-CH2 3.41Å; F61-W113 VanDerWaalsContact CZ-CH2 3.41Å; F61-W113 HydrophobicContact CZ-CZ2 4.03Å; F61-W113 AromaticContact CZ-CZ3 3.82Å; F61-W113 HydrophobicContact CZ-CZ3 3.82Å; F61-K137 HydrophobicContact CD1-CG 4.4Å; F61-K137 HydrophobicContact CE1-CG 3.68Å; F61-K137 HydrophobicContact CZ-CG 4.22Å; F61-H140 HydrophobicContact CD1-CB 3.63Å; F61-H140 AromaticContact CD1-CG 3.97Å; F61-H140 HydrophobicContact CE1-CB 3.7Å; F61-I141 HydrophobicContact CE1-CG1 4.25Å; F61-I141 HydrophobicContact CZ-CG1 4.21Å; F61-L147 HydrophobicContact CD1-CD1 4.22Å; F61-L147 HydrophobicContact CE1-CD1 3.61Å; F61-L147 HydrophobicContact CE2-CD1 3.95Å; F61-L147 HydrophobicContact CE2-CD2 3.73Å; F61-L147 HydrophobicContact CZ-CD1 3.44Å; F61-L147 VanDerWaalsContact CZ-CD1 3.44Å; F61-L147 HydrophobicContact CZ-CD2 3.87Å; F61-L147 HydrophobicContact CZ-CG 4.26Å
62	V	89.8	Confident	92.8	Very high	22 Å²	22	62.2 Å²	62.2	13%	0.133	30%	0.301	C	S	.	.			trans	-131.3	118.5	177.2	-176	0	0	0	0	110.7	T41 L58 S64	T41-V62 HydrophobicContact CG2-CB 4.4Å; T41-V62 HydrophobicContact CG2-CG2 3.23Å; L58-V62 PolarHBondContact O-N 2.68Å; V62-S64 VanDerWaalsContact CG1-O 3.29Å; V62-S64 WeakPolarHBondContact CG1-O 3.42Å
63	R	81.6	Confident	92.7	Very high	228 Å²	228	64.8 Å²	64.8	86%	0.86	32%	0.315	S	S	*	.	S	Bend	trans	-69.7	-42.1	-176.3	-64.8	-176.3	-176	-177.1	2.2	113.2
64	S	85.3	Confident	92.6	Very high	79 Å²	79	63.6 Å²	63.6	55%	0.552	31%	0.31	S	S	*	.			trans	-95.7	142.9	-176.2	-175.5	0	0	0	0	110.8	V62 G66	V62-S64 VanDerWaalsContact CG1-O 3.29Å; V62-S64 WeakPolarHBondContact CG1-O 3.42Å; S64-G66 PolarHBondContact O-N 2.92Å; S64-G66 PolarHBondContact OG-N 3.01Å; S64-G66 VanDerWaalsContact OG-N 3.09Å
65	V	84.8	Confident	92.7	Very high	49 Å²	49	56.1 Å²	56.1	30%	0.297	28%	0.277	S	S	.	.			trans	-67.9	-16.6	169.3	175.7	0	0	0	0	111.2	F46 S49	F46-V65 HydrophobicContact CD2-CG1 3.62Å; F46-V65 WeakPolarHBondContact CD2-O 3.29Å; F46-V65 HydrophobicContact CE2-CG1 4.15Å; F46-V65 HydrophobicContact CG-CG1 4.38Å; S49-V65 WeakPolarHBondContact OG-CG1 3.29Å
66	G	84.6	Confident	92.8	Very high	33 Å²	33	55 Å²	55	34%	0.34	27%	0.273	S	S	.	.			trans	78.6	-174.9	-179.7	0	0	0	0	0	112.9	S64	S64-G66 PolarHBondContact O-N 2.92Å; S64-G66 PolarHBondContact OG-N 3.01Å; S64-G66 VanDerWaalsContact OG-N 3.09Å
67	E	88.8	Confident	93	Very high	138 Å²	138	55.2 Å²	55.2	65%	0.645	27%	0.268	S	S	*	.	S	Bend	trans	-71.2	156	175.4	-63.4	-174.5	161.1	0	0	111.8	F46 K69	F46-E67 WeakPolarHBondContact CD2-O 3.33Å; E67-K69 PolarHBondContact O-N 3.2Å
68	R	92.1	Very high	93	Very high	197 Å²	197	55 Å²	55	74%	0.743	27%	0.266	S	S	*	.	P	Polyproline II helix	trans	-55.1	126.3	177.1	-176.9	176.7	175.4	-170.9	-4.2	110.8	F46	F46-R68 HydrophobicContact CE2-CB 4.42Å; F46-R68 HydrophobicContact CZ-CB 4.21Å; F46-R68 HydrophobicContact CZ-CG 4.02Å
69	K	93.4	Very high	93.2	Very high	50 Å²	50	54.9 Å²	54.9	22%	0.217	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-94.2	148.5	169.9	-53.7	-57.6	178.8	178.7	0	110	F46 E67 I73 N74	F46-K69 HydrophobicContact CB-CG 3.97Å; F46-K69 HydrophobicContact CD1-CB 3.79Å; F46-K69 HydrophobicContact CD1-CG 3.82Å; F46-K69 HydrophobicContact CD2-CG 4.49Å; F46-K69 HydrophobicContact CE1-CB 4.13Å; F46-K69 HydrophobicContact CG-CB 4.31Å; F46-K69 HydrophobicContact CG-CG 3.82Å; E67-K69 PolarHBondContact O-N 3.2Å; K69-I73 HydrophobicContact CB-CB 4.47Å; K69-I73 HydrophobicContact CB-CG2 4.41Å; K69-N74 WeakPolarHBondContact CB-OD1 3.44Å
70	A	94.3	Very high	93.4	Very high	38 Å²	38	51.7 Å²	51.7	31%	0.314	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-68.4	147.6	176.2	0	0	0	0	0	110.5	E72 I73 N74	A70-E72 VanDerWaalsContact C-N 3.27Å; A70-E72 VanDerWaalsContact CB-CD 3.43Å; A70-E72 WeakPolarHBondContact CB-OE1 3.24Å; A70-E72 VanDerWaalsContact CB-OE2 3.28Å; A70-E72 WeakPolarHBondContact CB-OE2 3.32Å; A70-E72 PolarHBondContact O-N 3.4Å; A70-I73 HydrophobicContact CB-CG1 4.28Å; A70-I73 WeakPolarHBondContact O-CB 3.36Å; A70-I73 PolarHBondContact O-N 2.88Å; A70-N74 PolarHBondContact O-N 3.31Å
71	P	96.5	Very high	93.5	Very high	17 Å²	17	48.7 Å²	48.7	11%	0.11	24%	0.24	C	C	.	.	H	α-helix	trans	-56.9	-37.1	-173.7	-25.3	34.8	0	0	0	113.9	I73 N74 R75 E307 F308 L309	P71-I73 VanDerWaalsContact C-N 3.27Å; P71-I73 PolarHBondContact O-N 3.27Å; P71-N74 PolarHBondContact O-N 2.96Å; P71-R75 WeakPolarHBondContact O-CG 3.48Å; P71-R75 PolarHBondContact O-N 3.36Å; P71-E307 HydrophobicContact CB-CB 4.05Å; P71-E307 HydrophobicContact CG-CB 4.17Å; P71-F308 WeakPolarHBondContact CG-O 3.31Å; P71-L309 HydrophobicContact CB-CB 4.43Å; P71-L309 HydrophobicContact CB-CD1 4.22Å
72	E	95.9	Very high	93.7	Very high	23 Å²	23	50.4 Å²	50.4	11%	0.107	25%	0.248	C	C	.	.	H	α-helix	trans	-63.3	-32.3	177.2	69.3	-77.4	-177.3	0	0	112.7	A70 G76 L309 L314 L315	A70-E72 VanDerWaalsContact C-N 3.27Å; A70-E72 VanDerWaalsContact CB-CD 3.43Å; A70-E72 WeakPolarHBondContact CB-OE1 3.24Å; A70-E72 VanDerWaalsContact CB-OE2 3.28Å; A70-E72 WeakPolarHBondContact CB-OE2 3.32Å; A70-E72 PolarHBondContact O-N 3.4Å; E72-G76 PolarHBondContact O-N 2.8Å; E72-L309 HydrophobicContact CB-CD1 4.14Å; E72-L314 HydrophobicContact CG-CD2 3.98Å; E72-L314 HydrophobicContact CG-CG 4.13Å; E72-L314 WeakPolarHBondContact OE1-CD2 3.48Å; E72-L315 HydrophobicContact CB-CB 3.94Å; E72-L315 HydrophobicContact CB-CD1 4.03Å
73	I	95.6	Very high	94.1	Very high	55 Å²	55	49.4 Å²	49.4	28%	0.282	24%	0.242	S	C	.	.	H	α-helix	trans	-68.3	-45.5	173.7	-57.9	-61.1	0	0	0	110	K69 A70 P71 G76 Y77 L318	K69-I73 HydrophobicContact CB-CB 4.47Å; K69-I73 HydrophobicContact CB-CG2 4.41Å; A70-I73 HydrophobicContact CB-CG1 4.28Å; A70-I73 WeakPolarHBondContact O-CB 3.36Å; A70-I73 PolarHBondContact O-N 2.88Å; P71-I73 VanDerWaalsContact C-N 3.27Å; P71-I73 PolarHBondContact O-N 3.27Å; I73-G76 PolarHBondContact O-N 3.31Å; I73-Y77 HydrophobicContact CG2-CD2 3.93Å; I73-Y77 HydrophobicContact CG2-CE2 4.05Å; I73-Y77 WeakPolarHBondContact O-CD2 3.25Å; I73-Y77 PolarHBondContact O-N 2.96Å; I73-L318 HydrophobicContact CD1-CD2 4.02Å
74	N	97.6	Very high	94.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65.5	-42.2	179.6	-62.7	-32	0	0	0	111.6	F46 A47 Y52 K69 A70 P71 G76 Y77 Y78 E307	F46-N74 WeakPolarHBondContact CD1-OD1 3.41Å; A47-N74 HydrophobicContact CB-CB 4.22Å; Y52-N74 HydrophobicContact CD1-CB 4.44Å; Y52-N74 HydrophobicContact CD2-CB 3.99Å; Y52-N74 HydrophobicContact CE1-CB 3.9Å; Y52-N74 HydrophobicContact CE2-CB 3.4Å; Y52-N74 VanDerWaalsContact CE2-CB 3.4Å; Y52-N74 HydrophobicContact CG-CB 4.47Å; Y52-N74 WeakPolarHBondContact OH-CB 3.11Å; K69-N74 WeakPolarHBondContact CB-OD1 3.44Å; A70-N74 PolarHBondContact O-N 3.31Å; P71-N74 PolarHBondContact O-N 2.96Å; N74-G76 VanDerWaalsContact C-N 3.34Å; N74-Y77 PolarHBondContact O-N 3.2Å; N74-Y78 WeakPolarHBondContact O-CB 3.43Å; N74-Y78 PolarHBondContact O-N 2.76Å; N74-E307 PolarHBondContact ND2-OE2 3.2Å
75	R	98.1	Very high	95.5	Very high	12 Å²	12	35.8 Å²	35.8	5%	0.045	18%	0.18	C	C	.	.	H	α-helix	trans	-62.2	-40.1	173.2	-70.5	-179.3	-173.5	-151.3	4.1	111.9	Y52 P71 Y78 A79 I303 E304 E307 L315	Y52-R75 HydrophobicContact CE1-CB 4.49Å; Y52-R75 HydrophobicContact CE1-CG 3.78Å; P71-R75 WeakPolarHBondContact O-CG 3.48Å; P71-R75 PolarHBondContact O-N 3.36Å; R75-Y78 WeakPolarHBondContact O-CB 3.42Å; R75-Y78 PolarHBondContact O-N 3.45Å; R75-A79 PolarHBondContact O-N 3.06Å; R75-I303 HydrophobicContact CG-CD1 4.06Å; R75-E304 VanDerWaalsContact NH1-CG 3.34Å; R75-E304 IonicContact NH1-OE1 3.01Å; R75-E304 PolarHBondContact NH1-OE1 2.66Å; R75-E304 PolarHBondContact NH2-O 2.94Å; R75-E304 VanDerWaalsContact NH2-O 3.17Å; R75-E307 PolarHBondContact NH2-O 3.19Å; R75-E307 VanDerWaalsContact NH2-O 3.15Å; R75-L315 HydrophobicContact CB-CD1 3.91Å; R75-L315 HydrophobicContact CB-CD2 4.37Å
76	G	97.9	Very high	96.1	Very high	7 Å²	7	36.4 Å²	36.4	7%	0.072	18%	0.182	C	C	.	.	H	α-helix	trans	-61	-46.8	173.3	0	0	0	0	0	113.1	E72 I73 N74 Y78 A79 R80	E72-G76 PolarHBondContact O-N 2.8Å; I73-G76 PolarHBondContact O-N 3.31Å; N74-G76 VanDerWaalsContact C-N 3.34Å; G76-Y78 VanDerWaalsContact C-N 3.35Å; G76-Y78 PolarHBondContact O-N 3.03Å; G76-A79 PolarHBondContact O-N 3.2Å; G76-R80 WeakPolarHBondContact O-CB 3.42Å; G76-R80 PolarHBondContact O-N 3.49Å
77	Y	98.3	Very high	96.8	Very high	39 Å²	39	34.9 Å²	34.9	15%	0.153	17%	0.166	C	C	.	.	H	α-helix	trans	-65.5	-36.3	175.2	-91	-82.7	0	0	0	112.9	A40 C43 K44 I73 N74 R80 V81	A40-Y77 WeakPolarHBondContact CA-OH 3.45Å; C43-Y77 HydrophobicContact CB-CD1 4.4Å; C43-Y77 HydrophobicContact CB-CD2 3.67Å; C43-Y77 HydrophobicContact CB-CE1 4.03Å; C43-Y77 HydrophobicContact CB-CE2 3.24Å; C43-Y77 HydrophobicContact CB-CG 4.23Å; C43-Y77 VanDerWaalsContact CB-CZ 3.44Å; K44-Y77 HydrophobicContact CG-CD1 3.79Å; K44-Y77 HydrophobicContact CG-CE1 4.06Å; I73-Y77 HydrophobicContact CG2-CD2 3.93Å; I73-Y77 HydrophobicContact CG2-CE2 4.05Å; I73-Y77 WeakPolarHBondContact O-CD2 3.25Å; I73-Y77 PolarHBondContact O-N 2.96Å; N74-Y77 PolarHBondContact O-N 3.2Å; Y77-R80 PolarHBondContact O-N 2.86Å; Y77-V81 WeakPolarHBondContact O-CB 3.49Å; Y77-V81 WeakPolarHBondContact O-CG2 3.48Å; Y77-V81 PolarHBondContact O-N 3.07Å
78	Y	98.6	Very high	97.2	Very high	1 Å²	1	28.4 Å²	28.4	0%	0.004	14%	0.135	C	C	.	.	H	α-helix	trans	-59.9	-50.6	171.9	166.4	-95.2	0	0	0	111	Y52 W53 N74 R75 G76 R80 V81 Q82 Y292 L295 D299 I303	Y52-Y78 HydrophobicContact CD1-CG 4.23Å; Y52-Y78 WeakPolarHBondContact O-CD2 3.37Å; W53-Y78 HydrophobicContact CE3-CD2 4.38Å; N74-Y78 WeakPolarHBondContact O-CB 3.43Å; N74-Y78 PolarHBondContact O-N 2.76Å; R75-Y78 WeakPolarHBondContact O-CB 3.42Å; R75-Y78 PolarHBondContact O-N 3.45Å; G76-Y78 VanDerWaalsContact C-N 3.35Å; G76-Y78 PolarHBondContact O-N 3.03Å; Y78-R80 VanDerWaalsContact C-N 3.31Å; Y78-R80 PolarHBondContact O-N 3.44Å; Y78-V81 PolarHBondContact O-N 3.05Å; Y78-Q82 HydrophobicContact CD2-CG 3.82Å; Y78-Q82 HydrophobicContact CE1-CG 4.22Å; Y78-Q82 HydrophobicContact CE2-CG 3.47Å; Y78-Q82 VanDerWaalsContact CE2-CG 3.47Å; Y78-Q82 HydrophobicContact CG-CG 4.33Å; Y78-Q82 WeakPolarHBondContact O-CB 3.27Å; Y78-Q82 VanDerWaalsContact O-CG 3.32Å; Y78-Q82 WeakPolarHBondContact O-CG 3.46Å; Y78-Q82 PolarHBondContact O-N 3.42Å; Y78-Y292 HydrophobicContact CD1-CE2 4.38Å; Y78-L295 HydrophobicContact CD1-CD1 4.14Å; Y78-L295 HydrophobicContact CE1-CD1 3.51Å; Y78-D299 WeakPolarHBondContact CE2-OD2 3.33Å; Y78-D299 PolarHBondContact OH-OD2 2.76Å; Y78-I303 HydrophobicContact CD1-CD1 4.12Å; Y78-I303 HydrophobicContact CD1-CG1 3.98Å; Y78-I303 HydrophobicContact CD2-CG2 4Å; Y78-I303 HydrophobicContact CE1-CD1 4.25Å; Y78-I303 HydrophobicContact CE1-CG1 3.78Å; Y78-I303 HydrophobicContact CE2-CG1 4.36Å; Y78-I303 HydrophobicContact CE2-CG2 3.75Å; Y78-I303 HydrophobicContact CG-CG1 4.36Å
79	A	98.4	Very high	97.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-59.1	-43	178.7	0	0	0	0	0	112	R75 G76 G83 M288 Y292 L319	R75-A79 PolarHBondContact O-N 3.06Å; G76-A79 PolarHBondContact O-N 3.2Å; A79-G83 WeakPolarHBondContact O-CA 3.25Å; A79-G83 PolarHBondContact O-N 2.78Å; A79-M288 VanDerWaalsContact C-CE 3.42Å; A79-M288 HydrophobicContact CB-CE 3.89Å; A79-M288 WeakPolarHBondContact O-CE 3.29Å; A79-Y292 HydrophobicContact CB-CD2 4Å; A79-L319 HydrophobicContact CB-CD2 4.36Å
80	R	98.6	Very high	97.7	Very high	14 Å²	14	19.1 Å²	19.1	5%	0.053	11%	0.107	C	C	.	.	H	α-helix	trans	-56.9	-54.6	174.7	171.6	-178.8	172.9	157.3	1.1	112	G76 Y77 Y78 G83 V84 E205 C206 Y235	G76-R80 WeakPolarHBondContact O-CB 3.42Å; G76-R80 PolarHBondContact O-N 3.49Å; Y77-R80 PolarHBondContact O-N 2.86Å; Y78-R80 VanDerWaalsContact C-N 3.31Å; Y78-R80 PolarHBondContact O-N 3.44Å; R80-G83 PolarHBondContact O-N 2.85Å; R80-V84 WeakPolarHBondContact O-CG2 3.14Å; R80-V84 PolarHBondContact O-N 3.11Å; R80-V84 VanDerWaalsContact O-N 3.1Å; R80-E205 IonicContact CZ-OE1 3.46Å; R80-E205 IonicContact NE-OE1 2.66Å; R80-E205 PolarHBondContact NE-OE1 3.45Å; R80-E205 PolarHBondContact NH2-O 2.89Å; R80-E205 IonicContact NH2-OE1 3.56Å; R80-E205 PolarHBondContact NH2-OE1 3.32Å; R80-C206 PolarHBondContact NH1-SG 2.86Å; R80-C206 VanDerWaalsContact NH1-SG 3.45Å; R80-Y235 HydrophobicContact CB-CD2 4.26Å; R80-Y235 HydrophobicContact CB-CE1 4.41Å; R80-Y235 HydrophobicContact CB-CE2 3.61Å; R80-Y235 HydrophobicContact CG-CD1 3.97Å; R80-Y235 HydrophobicContact CG-CD2 3.89Å; R80-Y235 HydrophobicContact CG-CE1 3.72Å; R80-Y235 HydrophobicContact CG-CE2 3.6Å; R80-Y235 HydrophobicContact CG-CG 4.08Å
81	V	98.4	Very high	97.9	Very high	13 Å²	13	17.3 Å²	17.3	8%	0.079	9%	0.092	C	C	.	.	H	α-helix	trans	-65.8	-47.5	-176.8	169.4	0	0	0	0	111.1	W53 Y77 Y78 G83 N85	W53-V81 HydrophobicContact CD2-CG1 4.35Å; W53-V81 HydrophobicContact CG-CG1 4.45Å; W53-V81 HydrophobicContact CH2-CG2 4.16Å; W53-V81 HydrophobicContact CZ2-CG2 3.89Å; Y77-V81 WeakPolarHBondContact O-CB 3.49Å; Y77-V81 WeakPolarHBondContact O-CG2 3.48Å; Y77-V81 PolarHBondContact O-N 3.07Å; Y78-V81 PolarHBondContact O-N 3.05Å; V81-G83 VanDerWaalsContact C-N 3.33Å; V81-G83 PolarHBondContact O-N 3.24Å; V81-N85 WeakPolarHBondContact O-CB 3.45Å; V81-N85 PolarHBondContact O-N 2.92Å; V81-N85 PolarHBondContact O-ND2 2.83Å
82	Q	98.3	Very high	98	Very high	44 Å²	44	16.7 Å²	16.7	21%	0.206	9%	0.087	C	C	.	.	H	α-helix	trans	-63.7	-41.6	178.4	-65.8	-55.6	-37	0	0	111.4	Y78 V84 N85 L86 L295	Y78-Q82 HydrophobicContact CD2-CG 3.82Å; Y78-Q82 HydrophobicContact CE1-CG 4.22Å; Y78-Q82 HydrophobicContact CE2-CG 3.47Å; Y78-Q82 VanDerWaalsContact CE2-CG 3.47Å; Y78-Q82 HydrophobicContact CG-CG 4.33Å; Y78-Q82 WeakPolarHBondContact O-CB 3.27Å; Y78-Q82 VanDerWaalsContact O-CG 3.32Å; Y78-Q82 WeakPolarHBondContact O-CG 3.46Å; Y78-Q82 PolarHBondContact O-N 3.42Å; Q82-V84 PolarHBondContact O-N 3.05Å; Q82-N85 PolarHBondContact O-N 3.23Å; Q82-L86 WeakPolarHBondContact O-CG 3.48Å; Q82-L86 PolarHBondContact O-N 3.13Å; Q82-L295 HydrophobicContact CB-CD1 4.08Å; Q82-L295 HydrophobicContact CB-CD2 3.69Å
83	G	98.3	Very high	98.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-62.6	-46	-178.2	0	0	0	0	0	112.8	A79 R80 V81 F341	A79-G83 WeakPolarHBondContact O-CA 3.25Å; A79-G83 PolarHBondContact O-N 2.78Å; R80-G83 PolarHBondContact O-N 2.85Å; V81-G83 VanDerWaalsContact C-N 3.33Å; V81-G83 PolarHBondContact O-N 3.24Å; G83-F341 WeakPolarHBondContact O-CE1 3.39Å; G83-F341 WeakPolarHBondContact O-CZ 3.47Å
84	V	98.5	Very high	98.2	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.012	11%	0.112	C	C	.	.	H	α-helix	trans	-64.3	-44.5	175	169.8	0	0	0	0	111.2	R80 Q82 L86 L87 L88 L203 E205 I233 I324	R80-V84 WeakPolarHBondContact O-CG2 3.14Å; R80-V84 PolarHBondContact O-N 3.11Å; R80-V84 VanDerWaalsContact O-N 3.1Å; Q82-V84 PolarHBondContact O-N 3.05Å; V84-L86 PolarHBondContact O-N 3.35Å; V84-L87 PolarHBondContact O-N 3Å; V84-L88 WeakPolarHBondContact O-CB 3.05Å; V84-L88 PolarHBondContact O-N 3.18Å; V84-L203 HydrophobicContact CG1-CD1 3.62Å; V84-L203 HydrophobicContact CG1-CD2 3.88Å; V84-L203 HydrophobicContact CG1-CG 4.43Å; V84-L203 HydrophobicContact CG2-CD1 4.45Å; V84-E205 HydrophobicContact CG2-CG 4.38Å; V84-I233 HydrophobicContact CG2-CG2 4.45Å; V84-I324 HydrophobicContact CG2-CD1 4.29Å
85	N	98.1	Very high	98.2	Very high	19 Å²	19	23.2 Å²	23.2	10%	0.102	11%	0.114	C	C	.	.	H	α-helix	trans	-62.3	-39.9	-179.8	-75.5	-20.3	0	0	0	112.5	V81 Q82 L87 L88 D89 R114	V81-N85 WeakPolarHBondContact O-CB 3.45Å; V81-N85 PolarHBondContact O-N 2.92Å; V81-N85 PolarHBondContact O-ND2 2.83Å; Q82-N85 PolarHBondContact O-N 3.23Å; N85-L87 PolarHBondContact O-N 2.78Å; N85-L88 PolarHBondContact O-N 2.91Å; N85-D89 WeakPolarHBondContact O-CB 3.28Å; N85-D89 PolarHBondContact O-N 2.66Å; N85-R114 PolarHBondContact OD1-NE 3.06Å; N85-R114 PolarHBondContact OD1-NH2 3.35Å
86	L	97.8	Very high	98.1	Very high	63 Å²	63	30.2 Å²	30.2	33%	0.33	15%	0.148	S	C	.	.	H	α-helix	trans	-57.6	-47.7	177.7	-77.2	171.4	0	0	0	111.8	Q82 V84 A90 L295 F341	Q82-L86 WeakPolarHBondContact O-CG 3.48Å; Q82-L86 PolarHBondContact O-N 3.13Å; V84-L86 PolarHBondContact O-N 3.35Å; L86-A90 WeakPolarHBondContact O-CB 3.37Å; L86-A90 PolarHBondContact O-N 2.89Å; L86-L295 HydrophobicContact CD1-CD2 3.63Å; L86-F341 HydrophobicContact CB-CE1 4.29Å; L86-F341 HydrophobicContact CD1-CD1 4.03Å; L86-F341 HydrophobicContact CD1-CE1 4.18Å
87	L	98.6	Very high	98.1	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-68.8	-43.7	179.1	-67.8	178.6	0	0	0	112.2	V84 N85 A90 F91 M231 I233 I324 W326 F341	V84-L87 PolarHBondContact O-N 3Å; N85-L87 PolarHBondContact O-N 2.78Å; L87-A90 PolarHBondContact O-N 3.14Å; L87-F91 PolarHBondContact O-N 2.91Å; L87-M231 HydrophobicContact CB-CE 3.9Å; L87-M231 HydrophobicContact CD1-CE 4.27Å; L87-M231 HydrophobicContact CD2-CE 3.98Å; L87-M231 HydrophobicContact CG-CE 4.28Å; L87-I233 HydrophobicContact CB-CD1 3.49Å; L87-I233 VanDerWaalsContact CB-CD1 3.49Å; L87-I233 HydrophobicContact CB-CG1 4.21Å; L87-I233 HydrophobicContact CD1-CD1 4.32Å; L87-I233 HydrophobicContact CD1-CG1 4.23Å; L87-I233 HydrophobicContact CD1-CG2 4.25Å; L87-I324 HydrophobicContact CD1-CG2 3.58Å; L87-W326 HydrophobicContact CD1-CB 4.06Å; L87-W326 HydrophobicContact CD1-CD2 4.14Å; L87-W326 HydrophobicContact CD1-CE3 4.1Å; L87-W326 HydrophobicContact CD1-CG 4.16Å; L87-W326 HydrophobicContact CD2-CD2 4.33Å; L87-W326 HydrophobicContact CD2-CG 4.47Å; L87-F341 HydrophobicContact CD1-CE2 3.79Å; L87-F341 HydrophobicContact CD1-CZ 3.76Å; L87-F341 HydrophobicContact CD2-CD2 4.39Å; L87-F341 HydrophobicContact CD2-CE2 4.08Å; L87-F341 HydrophobicContact CD2-CZ 4.29Å; L87-F341 HydrophobicContact CG-CE1 4.36Å; L87-F341 HydrophobicContact CG-CE2 4Å; L87-F341 HydrophobicContact CG-CZ 3.78Å
88	L	98.7	Very high	98	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-59.4	-51.7	176.6	172.1	59.1	0	0	0	111.2	V84 N85 A90 F91 L92 V101 T111 L115 L201	V84-L88 WeakPolarHBondContact O-CB 3.05Å; V84-L88 PolarHBondContact O-N 3.18Å; N85-L88 PolarHBondContact O-N 2.91Å; L88-A90 VanDerWaalsContact C-N 3.29Å; L88-A90 PolarHBondContact O-N 3.04Å; L88-F91 WeakPolarHBondContact O-CB 3.36Å; L88-F91 PolarHBondContact O-N 3.44Å; L88-L92 HydrophobicContact CD1-CD1 3.93Å; L88-L92 HydrophobicContact CD1-CG 4.07Å; L88-L92 HydrophobicContact CG-CD1 3.93Å; L88-L92 HydrophobicContact CG-CG 4.49Å; L88-L92 VanDerWaalsContact O-CG 3.29Å; L88-L92 WeakPolarHBondContact O-CG 3.43Å; L88-L92 PolarHBondContact O-N 2.98Å; L88-V101 HydrophobicContact CD1-CG1 4.38Å; L88-V101 HydrophobicContact CD1-CG2 4Å; L88-T111 HydrophobicContact CD2-CG2 3.57Å; L88-L115 HydrophobicContact CD2-CD1 4.42Å; L88-L201 HydrophobicContact CD1-CD1 3.96Å; L88-L201 HydrophobicContact CD1-CD2 4Å
89	D	98.2	Very high	98.1	Very high	25 Å²	25	33.4 Å²	33.4	13%	0.134	17%	0.166	C	C	.	.	H	α-helix	trans	-64.9	-36.1	-178.5	-64.8	-3.5	0	0	0	110.9	N85 L92 K93 R114	N85-D89 WeakPolarHBondContact O-CB 3.28Å; N85-D89 PolarHBondContact O-N 2.66Å; D89-L92 PolarHBondContact O-N 2.81Å; D89-K93 WeakPolarHBondContact O-CB 3.33Å; D89-K93 WeakPolarHBondContact O-CD 3.48Å; D89-K93 WeakPolarHBondContact O-CG 3.47Å; D89-K93 PolarHBondContact O-N 2.88Å; D89-R114 IonicContact OD1-CZ 2.82Å; D89-R114 IonicContact OD1-NH1 3.85Å; D89-R114 PolarHBondContact OD1-NH1 2.89Å; D89-R114 IonicContact OD1-NH2 2.76Å; D89-R114 PolarHBondContact OD1-NH2 2.83Å; D89-R114 IonicContact OD2-NH1 3.69Å; D89-R114 PolarHBondContact OD2-NH1 3.22Å
90	A	98	Very high	98.1	Very high	28 Å²	28	33.6 Å²	33.6	23%	0.231	17%	0.167	C	C	.	.	H	α-helix	trans	-65.1	-41.9	175	0	0	0	0	0	111.8	L86 L87 L88 K93 K94 L339	L86-A90 WeakPolarHBondContact O-CB 3.37Å; L86-A90 PolarHBondContact O-N 2.89Å; L87-A90 PolarHBondContact O-N 3.14Å; L88-A90 VanDerWaalsContact C-N 3.29Å; L88-A90 PolarHBondContact O-N 3.04Å; A90-K93 PolarHBondContact O-N 3.22Å; A90-K94 VanDerWaalsContact O-CB 3.32Å; A90-K94 WeakPolarHBondContact O-CB 3.34Å; A90-K94 PolarHBondContact O-N 3.21Å; A90-L339 HydrophobicContact CB-CD2 3.85Å
91	F	98.6	Very high	98.1	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-63.5	-45.8	173.8	-179.3	-92	0	0	0	112.2	L87 L88 K93 K94 T95 C99 P199 L201 M231 L336 L339	L87-F91 PolarHBondContact O-N 2.91Å; L88-F91 WeakPolarHBondContact O-CB 3.36Å; L88-F91 PolarHBondContact O-N 3.44Å; F91-K93 VanDerWaalsContact C-N 3.33Å; F91-K93 PolarHBondContact O-N 3.47Å; F91-K94 PolarHBondContact O-N 3.49Å; F91-T95 HydrophobicContact CD1-CG2 4.35Å; F91-T95 HydrophobicContact CE1-CG2 4Å; F91-T95 HydrophobicContact CE2-CG2 4.17Å; F91-T95 HydrophobicContact CZ-CG2 3.9Å; F91-T95 WeakPolarHBondContact O-CB 3.24Å; F91-T95 WeakPolarHBondContact O-CG2 3.4Å; F91-T95 PolarHBondContact O-N 3.3Å; F91-T95 PolarHBondContact O-OG1 3.35Å; F91-C99 HydrophobicContact CE1-CB 3.64Å; F91-C99 HydrophobicContact CZ-CB 4.25Å; F91-P199 HydrophobicContact CZ-CB 4.05Å; F91-L201 HydrophobicContact CB-CD1 3.55Å; F91-L201 HydrophobicContact CD1-CB 3.56Å; F91-L201 HydrophobicContact CD1-CD1 3.71Å; F91-L201 HydrophobicContact CD1-CG 4.32Å; F91-L201 HydrophobicContact CD2-CB 4.42Å; F91-L201 HydrophobicContact CD2-CD1 4.25Å; F91-L201 HydrophobicContact CE1-CB 3.47Å; F91-L201 VanDerWaalsContact CE1-CB 3.47Å; F91-L201 HydrophobicContact CE1-CD1 4.47Å; F91-L201 HydrophobicContact CE2-CB 4.36Å; F91-L201 HydrophobicContact CG-CB 4.05Å; F91-L201 HydrophobicContact CG-CD1 3.57Å; F91-L201 HydrophobicContact CG-CG 4.45Å; F91-L201 HydrophobicContact CZ-CB 3.9Å; F91-M231 HydrophobicContact CB-SD 4.06Å; F91-M231 HydrophobicContact CD2-CB 3.71Å; F91-M231 HydrophobicContact CD2-CG 4.49Å; F91-M231 HydrophobicContact CD2-SD 3.94Å; F91-M231 HydrophobicContact CE2-CB 3.81Å; F91-M231 HydrophobicContact CG-SD 4.36Å; F91-L336 HydrophobicContact CD2-CD2 3.97Å; F91-L336 HydrophobicContact CE2-CD1 4.01Å; F91-L336 HydrophobicContact CE2-CD2 3.99Å; F91-L339 HydrophobicContact CB-CD1 4.23Å; F91-L339 HydrophobicContact CD2-CD1 4.24Å
92	L	98.5	Very high	98.1	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.016	16%	0.162	C	C	.	.	H	α-helix	trans	-59.3	-43.3	176.8	-69.1	169.4	0	0	0	111.5	L88 D89 T95 Q96 G97 V101 L115 L120 P122	L88-L92 HydrophobicContact CD1-CD1 3.93Å; L88-L92 HydrophobicContact CD1-CG 4.07Å; L88-L92 HydrophobicContact CG-CD1 3.93Å; L88-L92 HydrophobicContact CG-CG 4.49Å; L88-L92 VanDerWaalsContact O-CG 3.29Å; L88-L92 WeakPolarHBondContact O-CG 3.43Å; L88-L92 PolarHBondContact O-N 2.98Å; D89-L92 PolarHBondContact O-N 2.81Å; L92-T95 PolarHBondContact O-OG1 2.79Å; L92-Q96 WeakPolarHBondContact O-CA 3.42Å; L92-Q96 PolarHBondContact O-N 3.1Å; L92-G97 PolarHBondContact O-N 3.45Å; L92-V101 HydrophobicContact CD2-CG2 4.19Å; L92-L115 HydrophobicContact CD1-CD1 3.84Å; L92-L115 HydrophobicContact CD1-CD2 3.51Å; L92-L115 HydrophobicContact CD1-CG 4.32Å; L92-L120 HydrophobicContact CD1-CB 4.37Å; L92-P122 HydrophobicContact CD2-CB 3.85Å; L92-P122 HydrophobicContact CD2-CG 4.34Å
93	K	97.3	Very high	98.1	Very high	133 Å²	133	30.6 Å²	30.6	58%	0.578	15%	0.154	S	C	*	.	H	α-helix	trans	-65.6	-45.2	175.9	-73.2	166.2	-173.8	166.8	0	112	D89 A90 F91 T95 Q96	D89-K93 WeakPolarHBondContact O-CB 3.33Å; D89-K93 WeakPolarHBondContact O-CD 3.48Å; D89-K93 WeakPolarHBondContact O-CG 3.47Å; D89-K93 PolarHBondContact O-N 2.88Å; A90-K93 PolarHBondContact O-N 3.22Å; F91-K93 VanDerWaalsContact C-N 3.33Å; F91-K93 PolarHBondContact O-N 3.47Å; K93-T95 VanDerWaalsContact C-N 3.26Å; K93-T95 PolarHBondContact O-N 2.98Å; K93-Q96 PolarHBondContact O-N 2.85Å; K93-Q96 VanDerWaalsContact O-N 3.11Å
94	K	97.4	Very high	98.2	Very high	73 Å²	73	30.7 Å²	30.7	32%	0.317	15%	0.154	S	C	.	.	H	α-helix	trans	-61	-37.3	179.6	-161	84.4	174.6	-160	0	111.8	A90 F91 L334 G335 L336 L339	A90-K94 VanDerWaalsContact O-CB 3.32Å; A90-K94 WeakPolarHBondContact O-CB 3.34Å; A90-K94 PolarHBondContact O-N 3.21Å; F91-K94 PolarHBondContact O-N 3.49Å; K94-L334 WeakPolarHBondContact CE-O 3.46Å; K94-G335 WeakPolarHBondContact CE-O 3.45Å; K94-G335 PolarHBondContact NZ-O 3.16Å; K94-L336 HydrophobicContact CG-CD2 4.24Å; K94-L339 HydrophobicContact CB-CD2 4.43Å; K94-L339 HydrophobicContact CD-CD2 4.3Å
95	T	97.8	Very high	98.2	Very high	10 Å²	10	31.5 Å²	31.5	6%	0.061	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-2	178.6	57.2	0	0	0	0	113.5	F91 L92 K93 G97 H98 C99 P199 L334	F91-T95 HydrophobicContact CD1-CG2 4.35Å; F91-T95 HydrophobicContact CE1-CG2 4Å; F91-T95 HydrophobicContact CE2-CG2 4.17Å; F91-T95 HydrophobicContact CZ-CG2 3.9Å; F91-T95 WeakPolarHBondContact O-CB 3.24Å; F91-T95 WeakPolarHBondContact O-CG2 3.4Å; F91-T95 PolarHBondContact O-N 3.3Å; F91-T95 PolarHBondContact O-OG1 3.35Å; L92-T95 PolarHBondContact O-OG1 2.79Å; K93-T95 VanDerWaalsContact C-N 3.26Å; K93-T95 PolarHBondContact O-N 2.98Å; T95-G97 PolarHBondContact O-N 3.44Å; T95-H98 WeakPolarHBondContact O-CB 3.25Å; T95-H98 PolarHBondContact O-N 3.12Å; T95-C99 HydrophobicContact CG2-CB 3.96Å; T95-C99 WeakPolarHBondContact OG1-CB 3.28Å; T95-C99 PolarHBondContact OG1-SG 2.76Å; T95-P199 HydrophobicContact CG2-CB 3.77Å; T95-P199 HydrophobicContact CG2-CG 4.31Å; T95-L334 HydrophobicContact CG2-CD1 4.02Å
96	Q	96.9	Very high	98.2	Very high	159 Å²	159	31 Å²	31	74%	0.743	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	53	33.6	-176.2	-55.9	178.2	-13.3	0	0	113.1	L92 K93 H98	L92-Q96 WeakPolarHBondContact O-CA 3.42Å; L92-Q96 PolarHBondContact O-N 3.1Å; K93-Q96 PolarHBondContact O-N 2.85Å; K93-Q96 VanDerWaalsContact O-N 3.11Å; Q96-H98 PolarHBondContact O-N 3.07Å
97	G	96.1	Very high	98.2	Very high	17 Å²	17	28.5 Å²	28.5	18%	0.175	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.5	-0.2	-175	0	0	0	0	0	115	L92 T95 C99 R123	L92-G97 PolarHBondContact O-N 3.45Å; T95-G97 PolarHBondContact O-N 3.44Å; G97-C99 PolarHBondContact O-N 2.99Å; G97-R123 PolarHBondContact O-N 3.48Å
98	H	98.1	Very high	98.2	Very high	96 Å²	96	28.6 Å²	28.6	44%	0.444	15%	0.151	S	C	.	.			trans	-81.9	55.3	173.8	-65	-42.1	0	0	0	112	T95 Q96 R123	T95-H98 WeakPolarHBondContact O-CB 3.25Å; T95-H98 PolarHBondContact O-N 3.12Å; Q96-H98 PolarHBondContact O-N 3.07Å; H98-R123 PolarHBondContact CE1-NH2 3.33Å; H98-R123 VanDerWaalsContact CE1-NH2 3.32Å; H98-R123 PolarHBondContact ND1-NE 3.44Å; H98-R123 PolarHBondContact ND1-NH2 3.39Å; H98-R123 VanDerWaalsContact ND1-NH2 3.18Å
99	C	98.7	Very high	98.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.155	C	C	.	.	S	Bend	trans	-146.1	173	-176	61.6	0	0	0	0	111.6	F91 T95 G97 P122 R123 P199	F91-C99 HydrophobicContact CE1-CB 3.64Å; F91-C99 HydrophobicContact CZ-CB 4.25Å; T95-C99 HydrophobicContact CG2-CB 3.96Å; T95-C99 WeakPolarHBondContact OG1-CB 3.28Å; T95-C99 PolarHBondContact OG1-SG 2.76Å; G97-C99 PolarHBondContact O-N 2.99Å; C99-P122 WeakPolarHBondContact O-CB 3.3Å; C99-R123 VanDerWaalsContact O-CB 3.24Å; C99-R123 WeakPolarHBondContact O-CB 3.32Å; C99-R123 PolarHBondContact O-N 3.2Å; C99-P199 CarbonylContact C-O 3.45Å; C99-P199 WeakPolarHBondContact CA-O 3.25Å; C99-P199 HydrophobicContact CB-CB 4.05Å; C99-P199 WeakPolarHBondContact CB-O 3.31Å
100	Q	98.8	Very high	98.1	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.019	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	153.4	169.5	-60.7	-177.5	-74.4	0	0	110	K124 F126 Q193 D195 L198 P199 T200 L201	Q100-K124 WeakPolarHBondContact CA-O 3.42Å; Q100-F126 HydrophobicContact CB-CE2 4.41Å; Q100-F126 HydrophobicContact CG-CE2 4.5Å; Q100-Q193 PolarHBondContact NE2-O 2.85Å; Q100-D195 PolarHBondContact OE1-O 3.38Å; Q100-L198 HydrophobicContact CG-CB 4.26Å; Q100-L198 HydrophobicContact CG-CD1 3.88Å; Q100-P199 PolarHBondContact N-O 3.47Å; Q100-T200 HydrophobicContact CB-CG2 4.24Å; Q100-T200 WeakPolarHBondContact O-CA 3.36Å; Q100-L201 PolarHBondContact O-N 3.37Å
101	V	98.9	Very high	98.2	Very high	3 Å²	3	27.8 Å²	27.8	2%	0.018	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	131.6	173.5	174.7	0	0	0	0	108.6	L88 L92 P122 K124 L125 F126 L201	L88-V101 HydrophobicContact CD1-CG1 4.38Å; L88-V101 HydrophobicContact CD1-CG2 4Å; L92-V101 HydrophobicContact CD2-CG2 4.19Å; V101-P122 HydrophobicContact CB-CG 4.22Å; V101-P122 HydrophobicContact CG2-CB 4.03Å; V101-P122 HydrophobicContact CG2-CG 3.86Å; V101-K124 PolarHBondContact N-O 3.48Å; V101-K124 VanDerWaalsContact N-O 3.1Å; V101-L125 HydrophobicContact CB-CD1 4.36Å; V101-L125 HydrophobicContact CB-CG 4.11Å; V101-L125 HydrophobicContact CG1-CD1 4.24Å; V101-L125 HydrophobicContact CG1-CG 4.16Å; V101-L125 CarbonylContact O-C 3.47Å; V101-L125 WeakPolarHBondContact O-CA 3.33Å; V101-F126 PolarHBondContact O-N 3.01Å; V101-L201 CarbonylContact C-O 3.49Å; V101-L201 VanDerWaalsContact CA-O 3.28Å; V101-L201 WeakPolarHBondContact CA-O 3.5Å; V101-L201 HydrophobicContact CG1-CD2 4.07Å; V101-L201 HydrophobicContact CG2-CB 4.42Å
102	I	98.9	Very high	98.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	107.4	174.7	-50.4	176.3	0	0	0	108.3	L104 F126 V128 L189 L194 T200 L201 L202 L203 F227	I102-L104 HydrophobicContact CG2-CD2 3.7Å; I102-L104 HydrophobicContact CG2-CG 4.17Å; I102-F126 CarbonylContact C-O 3.5Å; I102-F126 WeakPolarHBondContact CA-O 3.06Å; I102-F126 HydrophobicContact CG1-CB 4.34Å; I102-F126 HydrophobicContact CG1-CD2 4.2Å; I102-F126 HydrophobicContact CG2-CB 4.34Å; I102-V128 HydrophobicContact CG2-CG2 4.41Å; I102-L189 HydrophobicContact CD1-CD1 4.43Å; I102-L194 HydrophobicContact CD1-CD1 3.78Å; I102-L194 HydrophobicContact CD1-CD2 4.4Å; I102-L194 HydrophobicContact CG1-CD1 4.38Å; I102-T200 HydrophobicContact CD1-CG2 3.85Å; I102-T200 HydrophobicContact CG1-CG2 3.98Å; I102-L201 PolarHBondContact N-O 2.9Å; I102-L202 HydrophobicContact CB-CG 4.32Å; I102-L202 HydrophobicContact CD1-CD2 4.3Å; I102-L202 HydrophobicContact CD1-CG 4.37Å; I102-L202 CarbonylContact O-C 3.57Å; I102-L202 WeakPolarHBondContact O-CA 3.37Å; I102-L203 PolarHBondContact O-N 3.14Å; I102-F227 HydrophobicContact CD1-CE2 4.05Å; I102-F227 HydrophobicContact CD1-CZ 3.7Å
103	N	98.9	Very high	98.2	Very high	6 Å²	6	27.9 Å²	27.9	3%	0.032	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	105.4	173.3	-167.2	-3.9	0	0	0	109.5	A106 F126 E127 V128	N103-A106 HydrophobicContact CB-CB 3.99Å; N103-F126 PolarHBondContact N-O 2.95Å; N103-E127 HydrophobicContact CB-CG 4.26Å; N103-E127 WeakPolarHBondContact O-CA 3.49Å; N103-V128 PolarHBondContact O-N 2.58Å
104	L	98.9	Very high	98.2	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	123.3	-177.6	-57.7	166.8	0	0	0	108.8	I102 L179 L185 L202 L203 V207 L219 F232	I102-L104 HydrophobicContact CG2-CD2 3.7Å; I102-L104 HydrophobicContact CG2-CG 4.17Å; L104-L179 HydrophobicContact CB-CD1 4.07Å; L104-L179 HydrophobicContact CB-CD2 4.35Å; L104-L179 HydrophobicContact CD2-CD2 3.83Å; L104-L185 HydrophobicContact CD2-CD2 4.39Å; L104-L202 HydrophobicContact CD1-CB 4.41Å; L104-L202 HydrophobicContact CD1-CD2 4.16Å; L104-L203 WeakPolarHBondContact CB-O 3.23Å; L104-L203 PolarHBondContact N-O 2.97Å; L104-V207 WeakPolarHBondContact O-CG2 3.26Å; L104-L219 HydrophobicContact CD1-CD2 4.16Å; L104-L219 HydrophobicContact CD1-CG 4.46Å; L104-F232 HydrophobicContact CD1-CE2 4.01Å; L104-F232 HydrophobicContact CD1-CZ 3.96Å
105	G	98.6	Very high	98.2	Very high	20 Å²	20	19.9 Å²	19.9	21%	0.206	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	67	45	-172.9	0	0	0	0	0	111.5	G107 V128 D129	G105-G107 PolarHBondContact O-N 2.93Å; G105-G107 VanDerWaalsContact O-N 3.16Å; G105-V128 VanDerWaalsContact CA-O 3.24Å; G105-V128 WeakPolarHBondContact CA-O 3.33Å; G105-V128 PolarHBondContact N-O 3.29Å; G105-D129 WeakPolarHBondContact CA-OD2 3.35Å
106	A	98.4	Very high	98.2	Very high	9 Å²	9	20.9 Å²	20.9	7%	0.074	11%	0.112	C	C	.	.			trans	-65.1	-18.5	-170.4	0	0	0	0	0	113.9	N103 L108 D109 E127 V128 D129	N103-A106 HydrophobicContact CB-CB 3.99Å; A106-L108 PolarHBondContact O-N 3Å; A106-D109 WeakPolarHBondContact O-CB 3.3Å; A106-D109 PolarHBondContact O-N 2.87Å; A106-E127 HydrophobicContact CB-CB 3.69Å; A106-E127 HydrophobicContact CB-CG 3.7Å; A106-V128 PolarHBondContact N-O 3.17Å; A106-V128 VanDerWaalsContact N-O 3.1Å; A106-D129 PolarHBondContact N-OD2 3.44Å
107	G	98	Very high	98.2	Very high	9 Å²	9	18.3 Å²	18.3	9%	0.093	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	-128.8	-176.6	0	0	0	0	0	112.1	C37 G105 D129 K137	C37-G107 WeakPolarHBondContact SG-CA 3.37Å; G105-G107 PolarHBondContact O-N 2.93Å; G105-G107 VanDerWaalsContact O-N 3.16Å; G107-D129 WeakPolarHBondContact CA-OD2 3.38Å; G107-D129 PolarHBondContact N-OD2 2.92Å; G107-K137 WeakPolarHBondContact O-CD 3.18Å; G107-K137 PolarHBondContact O-NZ 3.05Å
108	L	97.6	Very high	98.2	Very high	4 Å²	4	21.9 Å²	21.9	2%	0.021	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	31	175.4	-58.7	172.8	0	0	0	112	T41 F61 A106 K137	T41-L108 HydrophobicContact CG2-CB 3.92Å; T41-L108 HydrophobicContact CG2-CD1 4.08Å; F61-L108 HydrophobicContact CB-CB 4.1Å; F61-L108 HydrophobicContact CB-CD1 4.18Å; F61-L108 HydrophobicContact CD1-CB 4.5Å; F61-L108 HydrophobicContact CD1-CD2 3.97Å; F61-L108 HydrophobicContact CG-CB 4.21Å; F61-L108 HydrophobicContact CG-CD2 4.48Å; A106-L108 PolarHBondContact O-N 3Å; L108-K137 HydrophobicContact CD2-CB 3.84Å; L108-K137 HydrophobicContact CD2-CD 4.45Å; L108-K137 HydrophobicContact CD2-CG 3.95Å
109	D	98.1	Very high	98.1	Very high	15 Å²	15	24.4 Å²	24.4	8%	0.08	13%	0.129	C	C	.	.			trans	-58.2	149.4	179.8	-168	-96.2	0	0	0	112.7	K44 A106 T111 K137	K44-D109 IonicContact NZ-OD2 2.94Å; K44-D109 PolarHBondContact NZ-OD2 3.38Å; A106-D109 WeakPolarHBondContact O-CB 3.3Å; A106-D109 PolarHBondContact O-N 2.87Å; D109-T111 WeakPolarHBondContact OD1-CB 3.33Å; D109-T111 PolarHBondContact OD1-N 2.93Å; D109-T111 PolarHBondContact OD1-OG1 3.01Å; D109-K137 WeakPolarHBondContact O-CE 3.41Å; D109-K137 PolarHBondContact O-NZ 2.82Å
110	T	98.4	Very high	98	Very high	12 Å²	12	26.4 Å²	26.4	7%	0.074	14%	0.14	C	C	.	.			trans	-115.1	9	-169.7	49.1	0	0	0	0	113.3	D55 L58 F61 F112 W113 R114	D55-T110 WeakPolarHBondContact OD2-CB 3.41Å; D55-T110 PolarHBondContact OD2-OG1 2.75Å; L58-T110 HydrophobicContact CB-CG2 4.1Å; L58-T110 HydrophobicContact CD1-CG2 4.08Å; F61-T110 HydrophobicContact CD2-CG2 3.98Å; F61-T110 HydrophobicContact CE2-CG2 4.02Å; T110-F112 VanDerWaalsContact C-N 3.29Å; T110-F112 PolarHBondContact O-N 3.05Å; T110-W113 HydrophobicContact CG2-CE3 4.43Å; T110-W113 PolarHBondContact O-N 3.2Å; T110-W113 VanDerWaalsContact O-N 3.12Å; T110-R114 PolarHBondContact O-N 3.47Å
111	T	98.4	Very high	98	Very high	10 Å²	10	27.2 Å²	27.2	6%	0.061	14%	0.144	C	C	.	.	H	α-helix	trans	-55.7	-39.7	-173.7	-66.9	0	0	0	0	113	L88 D109 W113 R114 L115 L125	L88-T111 HydrophobicContact CD2-CG2 3.57Å; D109-T111 WeakPolarHBondContact OD1-CB 3.33Å; D109-T111 PolarHBondContact OD1-N 2.93Å; D109-T111 PolarHBondContact OD1-OG1 3.01Å; T111-W113 VanDerWaalsContact C-N 3.34Å; T111-W113 PolarHBondContact O-N 3.15Å; T111-R114 PolarHBondContact O-N 2.69Å; T111-L115 HydrophobicContact CG2-CD1 3.69Å; T111-L115 HydrophobicContact CG2-CG 3.86Å; T111-L115 WeakPolarHBondContact O-CB 3.47Å; T111-L115 VanDerWaalsContact O-CG 3.32Å; T111-L115 WeakPolarHBondContact O-CG 3.49Å; T111-L115 PolarHBondContact O-N 3.12Å; T111-L125 HydrophobicContact CG2-CD1 4.27Å
112	F	98.6	Very high	97.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-53.4	-50.2	177.5	172.1	-97.3	0	0	0	112.3	T110 L115 Q116 L121 I151 V154 F172	T110-F112 VanDerWaalsContact C-N 3.29Å; T110-F112 PolarHBondContact O-N 3.05Å; F112-L115 PolarHBondContact O-N 3.21Å; F112-Q116 VanDerWaalsContact CE1-OE1 3.25Å; F112-Q116 WeakPolarHBondContact O-CB 3.36Å; F112-Q116 PolarHBondContact O-N 2.68Å; F112-L121 HydrophobicContact CD2-CD2 3.66Å; F112-L121 HydrophobicContact CE2-CD1 4.23Å; F112-L121 HydrophobicContact CE2-CD2 3.58Å; F112-L121 HydrophobicContact CZ-CD2 4.45Å; F112-I151 HydrophobicContact CD1-CG1 4.14Å; F112-I151 HydrophobicContact CE1-CB 4.38Å; F112-I151 HydrophobicContact CE1-CG1 3.49Å; F112-I151 VanDerWaalsContact CE1-CG1 3.49Å; F112-I151 HydrophobicContact CZ-CG1 4.08Å; F112-V154 HydrophobicContact CZ-CG2 4.04Å; F112-F172 HydrophobicContact CB-CD2 3.95Å; F112-F172 HydrophobicContact CB-CE2 3.81Å; F112-F172 HydrophobicContact CB-CG 4.5Å; F112-F172 HydrophobicContact CB-CZ 4.23Å; F112-F172 HydrophobicContact CD1-CD1 4.36Å; F112-F172 HydrophobicContact CD1-CG 4.36Å; F112-F172 HydrophobicContact CD2-CB 3.71Å; F112-F172 HydrophobicContact CD2-CD1 4.48Å; F112-F172 AromaticContact CD2-CD2 3.66Å; F112-F172 HydrophobicContact CD2-CD2 3.66Å; F112-F172 HydrophobicContact CD2-CE2 4.39Å; F112-F172 AromaticContact CD2-CG 3.71Å; F112-F172 HydrophobicContact CD2-CG 3.71Å; F112-F172 HydrophobicContact CE2-CB 3.54Å; F112-F172 HydrophobicContact CE2-CD2 4.39Å; F112-F172 HydrophobicContact CE2-CG 4.03Å; F112-F172 HydrophobicContact CG-CB 4.35Å; F112-F172 HydrophobicContact CG-CD1 4.3Å; F112-F172 AromaticContact CG-CD2 3.8Å; F112-F172 HydrophobicContact CG-CD2 3.8Å; F112-F172 HydrophobicContact CG-CE2 4.11Å; F112-F172 AromaticContact CG-CG 3.91Å; F112-F172 HydrophobicContact CG-CG 3.91Å; F112-F172 HydrophobicContact CG-CZ 4.47Å; F112-F172 HydrophobicContact CZ-CB 4.05Å; F112-F172 HydrophobicContact CZ-CG 4.47Å
113	W	98.6	Very high	97.9	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.015	17%	0.167	C	C	.	.	H	α-helix	trans	-67.6	-38.8	-179	-62.4	-84.6	0	0	0	112	S57 F61 T110 T111 Q116 E117 I141 L147 I151 F172	S57-W113 WeakPolarHBondContact OG-CB 3.43Å; S57-W113 VanDerWaalsContact OG-CG 3.25Å; F61-W113 HydrophobicContact CE2-CE3 4.36Å; F61-W113 AromaticContact CE2-CH2 3.81Å; F61-W113 HydrophobicContact CE2-CH2 3.81Å; F61-W113 HydrophobicContact CE2-CZ2 4.46Å; F61-W113 AromaticContact CE2-CZ3 3.73Å; F61-W113 HydrophobicContact CE2-CZ3 3.73Å; F61-W113 AromaticContact CZ-CH2 3.41Å; F61-W113 HydrophobicContact CZ-CH2 3.41Å; F61-W113 VanDerWaalsContact CZ-CH2 3.41Å; F61-W113 HydrophobicContact CZ-CZ2 4.03Å; F61-W113 AromaticContact CZ-CZ3 3.82Å; F61-W113 HydrophobicContact CZ-CZ3 3.82Å; T110-W113 HydrophobicContact CG2-CE3 4.43Å; T110-W113 PolarHBondContact O-N 3.2Å; T110-W113 VanDerWaalsContact O-N 3.12Å; T111-W113 VanDerWaalsContact C-N 3.34Å; T111-W113 PolarHBondContact O-N 3.15Å; W113-Q116 PolarHBondContact O-N 2.96Å; W113-E117 WeakPolarHBondContact O-CG 3.45Å; W113-E117 PolarHBondContact O-N 3.3Å; W113-I141 HydrophobicContact CH2-CD1 4.07Å; W113-I141 HydrophobicContact CH2-CG1 4.25Å; W113-I141 HydrophobicContact CZ2-CD1 4.15Å; W113-I141 HydrophobicContact CZ2-CG1 4.04Å; W113-L147 HydrophobicContact CD2-CD2 4.21Å; W113-L147 HydrophobicContact CH2-CD2 4.47Å; W113-L147 HydrophobicContact CZ2-CB 4.14Å; W113-L147 HydrophobicContact CZ2-CD2 3.87Å; W113-L147 PolarHBondContact NE1-O 3.48Å; W113-I151 HydrophobicContact CZ2-CD1 4.22Å; W113-F172 HydrophobicContact CH2-CE1 4.48Å; W113-F172 HydrophobicContact CH2-CZ 4.49Å
114	R	98.1	Very high	97.9	Very high	38 Å²	38	33.9 Å²	33.9	14%	0.143	17%	0.168	C	C	.	.	H	α-helix	trans	-58.5	-52.6	173.6	-179.7	-175.2	69.5	85.9	-10.4	111	N85 D89 T110 T111 Q116 E117 E118	N85-R114 PolarHBondContact OD1-NE 3.06Å; N85-R114 PolarHBondContact OD1-NH2 3.35Å; D89-R114 IonicContact OD1-CZ 2.82Å; D89-R114 IonicContact OD1-NH1 3.85Å; D89-R114 PolarHBondContact OD1-NH1 2.89Å; D89-R114 IonicContact OD1-NH2 2.76Å; D89-R114 PolarHBondContact OD1-NH2 2.83Å; D89-R114 IonicContact OD2-NH1 3.69Å; D89-R114 PolarHBondContact OD2-NH1 3.22Å; T110-R114 PolarHBondContact O-N 3.47Å; T111-R114 PolarHBondContact O-N 2.69Å; R114-Q116 PolarHBondContact O-N 2.79Å; R114-E117 PolarHBondContact O-N 2.94Å; R114-E118 WeakPolarHBondContact CG-OE1 3.47Å; R114-E118 IonicContact CZ-OE2 3.2Å; R114-E118 IonicContact NH1-OE1 2.96Å; R114-E118 IonicContact NH1-OE2 3.28Å; R114-E118 PolarHBondContact NH1-OE2 3.24Å; R114-E118 WeakPolarHBondContact O-CG 3.19Å; R114-E118 PolarHBondContact O-N 3.37Å
115	L	98.3	Very high	97.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-63.1	-32.9	-178.7	-67.2	-177.8	0	0	0	111.9	L88 L92 T111 F112 N119 L120 L121 L125	L88-L115 HydrophobicContact CD2-CD1 4.42Å; L92-L115 HydrophobicContact CD1-CD1 3.84Å; L92-L115 HydrophobicContact CD1-CD2 3.51Å; L92-L115 HydrophobicContact CD1-CG 4.32Å; T111-L115 HydrophobicContact CG2-CD1 3.69Å; T111-L115 HydrophobicContact CG2-CG 3.86Å; T111-L115 WeakPolarHBondContact O-CB 3.47Å; T111-L115 VanDerWaalsContact O-CG 3.32Å; T111-L115 WeakPolarHBondContact O-CG 3.49Å; T111-L115 PolarHBondContact O-N 3.12Å; F112-L115 PolarHBondContact O-N 3.21Å; L115-N119 PolarHBondContact O-N 3.15Å; L115-N119 VanDerWaalsContact O-N 3.12Å; L115-L120 HydrophobicContact CD2-CB 3.92Å; L115-L120 PolarHBondContact O-N 3.23Å; L115-L121 HydrophobicContact CB-CD2 3.99Å; L115-L125 HydrophobicContact CD1-CD1 4.04Å
116	Q	96.8	Very high	97.9	Very high	32 Å²	32	33 Å²	33	15%	0.15	16%	0.159	C	C	.	.	H	α-helix	trans	-67.8	-47.4	173.5	-173.3	171.9	5.2	0	0	112.4	F112 W113 R114 E118 N119 L121 P150	F112-Q116 VanDerWaalsContact CE1-OE1 3.25Å; F112-Q116 WeakPolarHBondContact O-CB 3.36Å; F112-Q116 PolarHBondContact O-N 2.68Å; W113-Q116 PolarHBondContact O-N 2.96Å; R114-Q116 PolarHBondContact O-N 2.79Å; Q116-E118 PolarHBondContact O-N 2.98Å; Q116-N119 PolarHBondContact O-N 3.25Å; Q116-N119 VanDerWaalsContact O-N 3.13Å; Q116-L121 HydrophobicContact CB-CD1 3.92Å; Q116-L121 HydrophobicContact CB-CD2 4.22Å; Q116-L121 HydrophobicContact CB-CG 4.09Å; Q116-L121 HydrophobicContact CG-CD1 3.93Å; Q116-P150 PolarHBondContact NE2-O 3.1Å; Q116-P150 PolarHBondContact OE1-O 2.82Å
117	E	96.1	Very high	97.9	Very high	105 Å²	105	32.6 Å²	32.6	49%	0.491	16%	0.156	S	C	.	.	H	α-helix	trans	-58.1	-33.2	175.7	-74.4	-175.1	-169.7	0	0	112	K54 S56 W113 R114	K54-E117 IonicContact NZ-OE2 2.68Å; S56-E117 PolarHBondContact OG-OE1 2.74Å; W113-E117 WeakPolarHBondContact O-CG 3.45Å; W113-E117 PolarHBondContact O-N 3.3Å; R114-E117 PolarHBondContact O-N 2.94Å
118	E	96.6	Very high	98	Very high	91 Å²	91	32.2 Å²	32.2	43%	0.425	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-0.9	-179.1	-67.8	171.9	-174.3	0	0	113.9	R114 Q116 L120	R114-E118 WeakPolarHBondContact CG-OE1 3.47Å; R114-E118 IonicContact CZ-OE2 3.2Å; R114-E118 IonicContact NH1-OE1 2.96Å; R114-E118 IonicContact NH1-OE2 3.28Å; R114-E118 PolarHBondContact NH1-OE2 3.24Å; R114-E118 WeakPolarHBondContact O-CG 3.19Å; R114-E118 PolarHBondContact O-N 3.37Å; Q116-E118 PolarHBondContact O-N 2.98Å; E118-L120 VanDerWaalsContact C-N 3.29Å; E118-L120 HydrophobicContact CB-CD1 3.99Å; E118-L120 HydrophobicContact CB-CG 4.08Å; E118-L120 PolarHBondContact O-N 2.97Å
119	N	96	Very high	98	Very high	149 Å²	149	33 Å²	33	80%	0.797	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.6	37.3	-174	-57.5	-73.1	0	0	0	114	L115 Q116	L115-N119 PolarHBondContact O-N 3.15Å; L115-N119 VanDerWaalsContact O-N 3.12Å; Q116-N119 PolarHBondContact O-N 3.25Å; Q116-N119 VanDerWaalsContact O-N 3.13Å
120	L	97.3	Very high	98	Very high	43 Å²	43	34 Å²	34	23%	0.225	16%	0.159	C	C	.	.			trans	-112.8	16.5	-178.3	-66.8	177.9	0	0	0	113.4	L92 L115 E118	L92-L120 HydrophobicContact CD1-CB 4.37Å; L115-L120 HydrophobicContact CD2-CB 3.92Å; L115-L120 PolarHBondContact O-N 3.23Å; E118-L120 VanDerWaalsContact C-N 3.29Å; E118-L120 HydrophobicContact CB-CD1 3.99Å; E118-L120 HydrophobicContact CB-CG 4.08Å; E118-L120 PolarHBondContact O-N 2.97Å
121	L	98	Very high	97.9	Very high	21 Å²	21	35.6 Å²	35.6	11%	0.11	17%	0.17	C	C	.	.			trans	-59.4	129.8	-177.2	-76.2	174.4	0	0	0	112.4	F112 L115 Q116 V154 R171	F112-L121 HydrophobicContact CD2-CD2 3.66Å; F112-L121 HydrophobicContact CE2-CD1 4.23Å; F112-L121 HydrophobicContact CE2-CD2 3.58Å; F112-L121 HydrophobicContact CZ-CD2 4.45Å; L115-L121 HydrophobicContact CB-CD2 3.99Å; Q116-L121 HydrophobicContact CB-CD1 3.92Å; Q116-L121 HydrophobicContact CB-CD2 4.22Å; Q116-L121 HydrophobicContact CB-CG 4.09Å; Q116-L121 HydrophobicContact CG-CD1 3.93Å; L121-V154 HydrophobicContact CD1-CG1 4.17Å; L121-V154 HydrophobicContact CD1-CG2 4.5Å; L121-R171 PolarHBondContact O-NH2 2.63Å
122	P	98.4	Very high	97.8	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.191	C	C	.	.			trans	-68.1	173.6	170.3	32.3	-37.1	0	0	0	110.7	L92 C99 V101 K124 L125 R171	L92-P122 HydrophobicContact CD2-CB 3.85Å; L92-P122 HydrophobicContact CD2-CG 4.34Å; C99-P122 WeakPolarHBondContact O-CB 3.3Å; V101-P122 HydrophobicContact CB-CG 4.22Å; V101-P122 HydrophobicContact CG2-CB 4.03Å; V101-P122 HydrophobicContact CG2-CG 3.86Å; P122-K124 PolarHBondContact O-N 3.21Å; P122-L125 HydrophobicContact CG-CB 4.03Å; P122-R171 VanDerWaalsContact O-CZ 3.3Å; P122-R171 PolarHBondContact O-NE 3.38Å; P122-R171 VanDerWaalsContact O-NE 3.13Å; P122-R171 PolarHBondContact O-NH2 2.9Å
123	R	98.2	Very high	97.7	Very high	134 Å²	134	39.2 Å²	39.2	51%	0.506	19%	0.192	S	C	.	.	S	Bend	trans	-50.9	-47.6	173.9	-70.9	-67.9	-165.9	170.3	-1	111.2	G97 H98 C99 R171 L198	G97-R123 PolarHBondContact O-N 3.48Å; H98-R123 PolarHBondContact CE1-NH2 3.33Å; H98-R123 VanDerWaalsContact CE1-NH2 3.32Å; H98-R123 PolarHBondContact ND1-NE 3.44Å; H98-R123 PolarHBondContact ND1-NH2 3.39Å; H98-R123 VanDerWaalsContact ND1-NH2 3.18Å; C99-R123 VanDerWaalsContact O-CB 3.24Å; C99-R123 WeakPolarHBondContact O-CB 3.32Å; C99-R123 PolarHBondContact O-N 3.2Å; R123-R171 VanDerWaalsContact O-CD 3.25Å; R123-R171 WeakPolarHBondContact O-CD 3.28Å; R123-R171 PolarHBondContact O-NE 2.9Å; R123-L198 HydrophobicContact CG-CD1 4.42Å
124	K	98.6	Very high	97.7	Very high	14 Å²	14	39.1 Å²	39.1	6%	0.061	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	137	172.5	-165.7	161.1	179.6	175.2	0	110	Q100 V101 P122 F126 D168 S169 F192	Q100-K124 WeakPolarHBondContact CA-O 3.42Å; V101-K124 PolarHBondContact N-O 3.48Å; V101-K124 VanDerWaalsContact N-O 3.1Å; P122-K124 PolarHBondContact O-N 3.21Å; K124-F126 HydrophobicContact CB-CE2 3.9Å; K124-F126 HydrophobicContact CB-CZ 4.15Å; K124-F126 HydrophobicContact CD-CE1 3.96Å; K124-F126 HydrophobicContact CD-CE2 4.2Å; K124-F126 HydrophobicContact CD-CZ 3.58Å; K124-F126 HydrophobicContact CG-CD2 4.43Å; K124-F126 HydrophobicContact CG-CE1 4.24Å; K124-F126 HydrophobicContact CG-CE2 3.85Å; K124-F126 HydrophobicContact CG-CZ 3.76Å; K124-D168 WeakPolarHBondContact CE-OD1 3.36Å; K124-D168 IonicContact NZ-OD1 2.8Å; K124-D168 PolarHBondContact NZ-OD1 3.12Å; K124-D168 IonicContact NZ-OD2 3.74Å; K124-S169 VanDerWaalsContact CE-O 3.3Å; K124-S169 WeakPolarHBondContact CE-O 3.17Å; K124-S169 PolarHBondContact NZ-O 3.28Å; K124-F192 PolarHBondContact NZ-O 3.14Å
125	L	98.9	Very high	97.7	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.01	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	123.9	171.8	-169.9	153.3	0	0	0	108.7	V101 T111 L115 P122 E127 R171 F172 C173	V101-L125 HydrophobicContact CB-CD1 4.36Å; V101-L125 HydrophobicContact CB-CG 4.11Å; V101-L125 HydrophobicContact CG1-CD1 4.24Å; V101-L125 HydrophobicContact CG1-CG 4.16Å; V101-L125 CarbonylContact O-C 3.47Å; V101-L125 WeakPolarHBondContact O-CA 3.33Å; T111-L125 HydrophobicContact CG2-CD1 4.27Å; L115-L125 HydrophobicContact CD1-CD1 4.04Å; P122-L125 HydrophobicContact CG-CB 4.03Å; L125-E127 HydrophobicContact CD2-CG 3.73Å; L125-R171 PolarHBondContact N-O 3.07Å; L125-F172 HydrophobicContact CB-CD2 4.32Å; L125-F172 HydrophobicContact CD2-CD2 3.73Å; L125-F172 HydrophobicContact CD2-CE2 3.59Å; L125-F172 CarbonylContact O-C 3.36Å; L125-F172 WeakPolarHBondContact O-CA 3.37Å; L125-C173 PolarHBondContact O-N 3.11Å
126	F	98.9	Very high	97.6	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	134.8	175.3	-58.7	-93.5	0	0	0	109.2	Q100 V101 I102 N103 K124 C173 I175 L189 F192 L194	Q100-F126 HydrophobicContact CB-CE2 4.41Å; Q100-F126 HydrophobicContact CG-CE2 4.5Å; V101-F126 PolarHBondContact O-N 3.01Å; I102-F126 CarbonylContact C-O 3.5Å; I102-F126 WeakPolarHBondContact CA-O 3.06Å; I102-F126 HydrophobicContact CG1-CB 4.34Å; I102-F126 HydrophobicContact CG1-CD2 4.2Å; I102-F126 HydrophobicContact CG2-CB 4.34Å; N103-F126 PolarHBondContact N-O 2.95Å; K124-F126 HydrophobicContact CB-CE2 3.9Å; K124-F126 HydrophobicContact CB-CZ 4.15Å; K124-F126 HydrophobicContact CD-CE1 3.96Å; K124-F126 HydrophobicContact CD-CE2 4.2Å; K124-F126 HydrophobicContact CD-CZ 3.58Å; K124-F126 HydrophobicContact CG-CD2 4.43Å; K124-F126 HydrophobicContact CG-CE1 4.24Å; K124-F126 HydrophobicContact CG-CE2 3.85Å; K124-F126 HydrophobicContact CG-CZ 3.76Å; F126-C173 CarbonylContact C-O 3.54Å; F126-C173 WeakPolarHBondContact CA-O 3.34Å; F126-C173 HydrophobicContact CD1-CB 3.71Å; F126-C173 HydrophobicContact CE1-CB 4.1Å; F126-I175 HydrophobicContact CD1-CD1 4.47Å; F126-L189 HydrophobicContact CB-CD2 3.95Å; F126-L189 HydrophobicContact CD1-CD2 3.79Å; F126-L189 HydrophobicContact CG-CD2 3.95Å; F126-F192 HydrophobicContact CE1-CB 4.33Å; F126-F192 WeakPolarHBondContact CE1-O 3.45Å; F126-L194 HydrophobicContact CD2-CD1 4.38Å; F126-L194 HydrophobicContact CE2-CD1 3.94Å; F126-L194 HydrophobicContact CZ-CB 4.15Å; F126-L194 HydrophobicContact CZ-CD1 4.33Å
127	E	98.9	Very high	97.6	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	136.9	167.5	-70.8	-174.7	157.2	0	0	109.4	N103 A106 L125 K137 F172 C173 I174 I175	N103-E127 HydrophobicContact CB-CG 4.26Å; N103-E127 WeakPolarHBondContact O-CA 3.49Å; A106-E127 HydrophobicContact CB-CB 3.69Å; A106-E127 HydrophobicContact CB-CG 3.7Å; L125-E127 HydrophobicContact CD2-CG 3.73Å; E127-K137 IonicContact OE1-NZ 3.5Å; E127-K137 PolarHBondContact OE1-NZ 3.37Å; E127-K137 VanDerWaalsContact OE2-CE 3.28Å; E127-K137 WeakPolarHBondContact OE2-CE 3.48Å; E127-K137 IonicContact OE2-NZ 3.63Å; E127-K137 PolarHBondContact OE2-NZ 2.83Å; E127-F172 HydrophobicContact CG-CE2 3.83Å; E127-F172 HydrophobicContact CG-CZ 4.3Å; E127-F172 WeakPolarHBondContact OE2-CZ 3.33Å; E127-C173 PolarHBondContact N-O 3.17Å; E127-I174 HydrophobicContact CB-CG1 4.37Å; E127-I174 HydrophobicContact CB-CG2 4.18Å; E127-I174 CarbonylContact O-C 3.53Å; E127-I174 WeakPolarHBondContact O-CA 3.38Å; E127-I175 PolarHBondContact O-N 3.08Å
128	V	98.8	Very high	97.7	Very high	1 Å²	1	36 Å²	36	1%	0.006	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	131.7	178.6	-174.1	0	0	0	0	108.7	I102 N103 G105 A106 I175 A177 L179 L185 L189	I102-V128 HydrophobicContact CG2-CG2 4.41Å; N103-V128 PolarHBondContact O-N 2.58Å; G105-V128 VanDerWaalsContact CA-O 3.24Å; G105-V128 WeakPolarHBondContact CA-O 3.33Å; G105-V128 PolarHBondContact N-O 3.29Å; A106-V128 PolarHBondContact N-O 3.17Å; A106-V128 VanDerWaalsContact N-O 3.1Å; V128-I175 WeakPolarHBondContact CA-O 3.34Å; V128-A177 HydrophobicContact CG1-CB 3.92Å; V128-L179 HydrophobicContact CB-CD2 4.2Å; V128-L179 HydrophobicContact CG1-CD2 3.64Å; V128-L185 HydrophobicContact CB-CD1 4.38Å; V128-L185 HydrophobicContact CG1-CD1 3.67Å; V128-L185 HydrophobicContact CG2-CD1 3.95Å; V128-L189 HydrophobicContact CG2-CD2 4.2Å
129	D	98.7	Very high	97.7	Very high	20 Å²	20	37.1 Å²	37.1	11%	0.107	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	176.2	171.3	-148.4	-67.1	0	0	0	109.8	G105 A106 G107 V133 V134 I175 G176 A177	G105-D129 WeakPolarHBondContact CA-OD2 3.35Å; A106-D129 PolarHBondContact N-OD2 3.44Å; G107-D129 WeakPolarHBondContact CA-OD2 3.38Å; G107-D129 PolarHBondContact N-OD2 2.92Å; D129-V133 HydrophobicContact CB-CB 4.14Å; D129-V133 HydrophobicContact CB-CG1 4.08Å; D129-V133 WeakPolarHBondContact OD1-CB 3.41Å; D129-V133 WeakPolarHBondContact OD1-CG2 3.42Å; D129-V134 HydrophobicContact CB-CG2 3.93Å; D129-I175 PolarHBondContact N-O 3.08Å; D129-G176 CarbonylContact O-C 3.48Å; D129-G176 WeakPolarHBondContact O-CA 3.45Å; D129-A177 CarbonylContact C-O 3.56Å; D129-A177 PolarHBondContact O-N 3.34Å
130	F	97.6	Very high	97.7	Very high	36 Å²	36	31.6 Å²	31.6	16%	0.158	16%	0.155	C	C	.	.			trans	-54.6	143.3	173.8	-79.3	-66.5	0	0	0	111.2	V33 R34 T132 V133 V134 D178	V33-F130 HydrophobicContact CG1-CE2 4.25Å; R34-F130 HydrophobicContact CG-CB 4.36Å; R34-F130 HydrophobicContact CG-CD2 3.83Å; R34-F130 HydrophobicContact CG-CE2 4.48Å; R34-F130 HydrophobicContact CG-CG 4.3Å; F130-T132 PolarHBondContact O-N 2.88Å; F130-V133 HydrophobicContact CB-CG2 4.39Å; F130-V133 PolarHBondContact O-N 3.47Å; F130-V134 PolarHBondContact O-N 2.95Å; F130-D178 HydrophobicContact CE1-CB 4.2Å
131	P	96.8	Very high	97.7	Very high	47 Å²	47	29.6 Å²	29.6	31%	0.305	15%	0.145	S	C	.	.	H	α-helix	trans	-51.7	-32.7	-177.9	-30	35.3	0	0	0	115	A135 H165	P131-A135 VanDerWaalsContact O-CB 3.29Å; P131-A135 WeakPolarHBondContact O-CB 3.45Å; P131-A135 PolarHBondContact O-N 3.2Å; P131-H165 HydrophobicContact CB-CB 4.48Å; P131-H165 PolarHBondContact O-ND1 3.25Å
132	T	95.8	Very high	97.6	Very high	80 Å²	80	35.6 Å²	35.6	49%	0.491	17%	0.17	S	C	.	.	H	α-helix	trans	-70.7	-40	177.6	47	0	0	0	0	112.9	R34 F130 R136	R34-T132 WeakPolarHBondContact CD-OG1 3.23Å; F130-T132 PolarHBondContact O-N 2.88Å; T132-R136 PolarHBondContact O-N 3.43Å
133	V	96.8	Very high	97.4	Very high	5 Å²	5	38.6 Å²	38.6	3%	0.03	19%	0.188	C	C	.	.	H	α-helix	trans	-68.5	-43.6	175.5	178.2	0	0	0	0	110	R34 D129 F130 R136 K137	R34-V133 HydrophobicContact CB-CG2 4.46Å; R34-V133 HydrophobicContact CG-CG2 4.23Å; D129-V133 HydrophobicContact CB-CB 4.14Å; D129-V133 HydrophobicContact CB-CG1 4.08Å; D129-V133 WeakPolarHBondContact OD1-CB 3.41Å; D129-V133 WeakPolarHBondContact OD1-CG2 3.42Å; F130-V133 HydrophobicContact CB-CG2 4.39Å; F130-V133 PolarHBondContact O-N 3.47Å; V133-R136 WeakPolarHBondContact O-CB 3.45Å; V133-R136 PolarHBondContact O-N 3.34Å; V133-K137 PolarHBondContact O-N 3.09Å
134	V	98.1	Very high	97.3	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.012	18%	0.179	C	C	.	.	H	α-helix	trans	-61.7	-47.2	176.6	171.2	0	0	0	0	111.7	D129 F130 R136 K137 I138 I174	D129-V134 HydrophobicContact CB-CG2 3.93Å; F130-V134 PolarHBondContact O-N 2.95Å; V134-R136 PolarHBondContact O-N 2.98Å; V134-K137 PolarHBondContact O-N 2.83Å; V134-K137 VanDerWaalsContact O-N 3.08Å; V134-I138 HydrophobicContact CG1-CD1 3.54Å; V134-I138 HydrophobicContact CG1-CG1 4.1Å; V134-I138 WeakPolarHBondContact O-CG1 3.41Å; V134-I138 PolarHBondContact O-N 3.33Å; V134-I174 HydrophobicContact CB-CG2 4.33Å; V134-I174 HydrophobicContact CG1-CG2 3.72Å; V134-I174 HydrophobicContact CG2-CG2 3.9Å
135	A	97.4	Very high	97.2	Very high	26 Å²	26	39.3 Å²	39.3	22%	0.215	20%	0.204	C	C	.	.	H	α-helix	trans	-56.7	-40.5	177.5	0	0	0	0	0	112.1	P131 H139 S164	P131-A135 VanDerWaalsContact O-CB 3.29Å; P131-A135 WeakPolarHBondContact O-CB 3.45Å; P131-A135 PolarHBondContact O-N 3.2Å; A135-H139 WeakPolarHBondContact O-CB 3.12Å; A135-H139 PolarHBondContact O-N 3.22Å; A135-S164 WeakPolarHBondContact CA-O 3.32Å; A135-S164 VanDerWaalsContact CB-O 3.26Å; A135-S164 WeakPolarHBondContact CB-O 3.25Å
136	R	96.4	Very high	97.1	Very high	74 Å²	74	41.9 Å²	41.9	28%	0.279	22%	0.221	S	C	.	.	H	α-helix	trans	-65.4	-46.1	175	-174.1	174.1	65.6	174.7	10.2	111.9	C37 D38 T132 V133 V134 H139 H140	C37-R136 PolarHBondContact SG-NH2 2.78Å; D38-R136 VanDerWaalsContact CG-NH1 3.28Å; D38-R136 IonicContact OD1-CZ 2.79Å; D38-R136 IonicContact OD1-NH1 2.77Å; D38-R136 PolarHBondContact OD1-NH1 2.95Å; D38-R136 IonicContact OD1-NH2 3.15Å; D38-R136 PolarHBondContact OD1-NH2 3.11Å; D38-R136 IonicContact OD2-CZ 2.69Å; D38-R136 IonicContact OD2-NH1 2.97Å; D38-R136 PolarHBondContact OD2-NH1 2.99Å; D38-R136 IonicContact OD2-NH2 3.82Å; T132-R136 PolarHBondContact O-N 3.43Å; V133-R136 WeakPolarHBondContact O-CB 3.45Å; V133-R136 PolarHBondContact O-N 3.34Å; V134-R136 PolarHBondContact O-N 2.98Å; R136-H139 WeakPolarHBondContact O-CB 3.49Å; R136-H139 PolarHBondContact O-N 3.14Å; R136-H140 PolarHBondContact O-CD2 3.43Å; R136-H140 PolarHBondContact O-N 3.19Å; R136-H140 VanDerWaalsContact O-N 3.07Å
137	K	97.9	Very high	97	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.009	22%	0.221	C	C	.	.	H	α-helix	trans	-61.4	-46.8	178.1	-164	175.5	-163.3	165.5	0	111.6	F61 G107 L108 D109 E127 V133 V134 H139 H140 I141 I174	F61-K137 HydrophobicContact CD1-CG 4.4Å; F61-K137 HydrophobicContact CE1-CG 3.68Å; F61-K137 HydrophobicContact CZ-CG 4.22Å; G107-K137 WeakPolarHBondContact O-CD 3.18Å; G107-K137 PolarHBondContact O-NZ 3.05Å; L108-K137 HydrophobicContact CD2-CB 3.84Å; L108-K137 HydrophobicContact CD2-CD 4.45Å; L108-K137 HydrophobicContact CD2-CG 3.95Å; D109-K137 WeakPolarHBondContact O-CE 3.41Å; D109-K137 PolarHBondContact O-NZ 2.82Å; E127-K137 IonicContact OE1-NZ 3.5Å; E127-K137 PolarHBondContact OE1-NZ 3.37Å; E127-K137 VanDerWaalsContact OE2-CE 3.28Å; E127-K137 WeakPolarHBondContact OE2-CE 3.48Å; E127-K137 IonicContact OE2-NZ 3.63Å; E127-K137 PolarHBondContact OE2-NZ 2.83Å; V133-K137 PolarHBondContact O-N 3.09Å; V134-K137 PolarHBondContact O-N 2.83Å; V134-K137 VanDerWaalsContact O-N 3.08Å; K137-H139 VanDerWaalsContact C-N 3.32Å; K137-H139 PolarHBondContact O-N 2.76Å; K137-H140 WeakPolarHBondContact O-CB 3.45Å; K137-H140 PolarHBondContact O-N 3.17Å; K137-H140 VanDerWaalsContact O-N 3.15Å; K137-I141 HydrophobicContact CG-CD1 4.16Å; K137-I141 WeakPolarHBondContact O-CG1 3.47Å; K137-I141 PolarHBondContact O-N 2.93Å; K137-I174 HydrophobicContact CD-CD1 4.14Å; K137-I174 HydrophobicContact CG-CD1 4.44Å
138	I	97.8	Very high	96.9	Very high	9 Å²	9	42.9 Å²	42.9	5%	0.046	23%	0.228	C	C	.	.	H	α-helix	trans	-61	-41.3	176.7	-66.8	175.7	0	0	0	110.8	V134 H140 I141 K142 L162 V166 L167 I174	V134-I138 HydrophobicContact CG1-CD1 3.54Å; V134-I138 HydrophobicContact CG1-CG1 4.1Å; V134-I138 WeakPolarHBondContact O-CG1 3.41Å; V134-I138 PolarHBondContact O-N 3.33Å; I138-H140 VanDerWaalsContact C-N 3.34Å; I138-H140 PolarHBondContact O-N 3.05Å; I138-I141 PolarHBondContact O-N 2.82Å; I138-K142 VanDerWaalsContact O-CB 3.28Å; I138-K142 WeakPolarHBondContact O-CB 3.27Å; I138-K142 PolarHBondContact O-N 2.74Å; I138-L162 HydrophobicContact CG2-CD2 4.21Å; I138-V166 VanDerWaalsContact CD1-C 3.43Å; I138-L167 HydrophobicContact CD1-CB 3.93Å; I138-L167 HydrophobicContact CG1-CB 3.98Å; I138-I174 HydrophobicContact CG1-CD1 4.5Å
139	H	96.6	Very high	96.7	Very high	113 Å²	113	48.9 Å²	48.9	52%	0.523	25%	0.254	S	S	.	.	H	α-helix	trans	-59	-43.7	174.9	179.4	81.1	0	0	0	112.2	A135 R136 K137 T143	A135-H139 WeakPolarHBondContact O-CB 3.12Å; A135-H139 PolarHBondContact O-N 3.22Å; R136-H139 WeakPolarHBondContact O-CB 3.49Å; R136-H139 PolarHBondContact O-N 3.14Å; K137-H139 VanDerWaalsContact C-N 3.32Å; K137-H139 PolarHBondContact O-N 2.76Å; H139-T143 WeakPolarHBondContact O-CB 3.14Å; H139-T143 VanDerWaalsContact O-CG2 3.28Å; H139-T143 WeakPolarHBondContact O-CG2 3.34Å; H139-T143 PolarHBondContact O-N 2.95Å; H139-T143 PolarHBondContact O-OG1 3.4Å
140	H	96.6	Very high	96.6	Very high	34 Å²	34	49.3 Å²	49.3	16%	0.157	26%	0.258	C	S	.	.	H	α-helix	trans	-62.5	-46.8	174.6	-73.9	-65.1	0	0	0	111.8	Y60 F61 R136 K137 I138 K142 T143 K144 L147	Y60-H140 PolarHBondContact O-ND1 3.26Å; F61-H140 HydrophobicContact CD1-CB 3.63Å; F61-H140 AromaticContact CD1-CG 3.97Å; F61-H140 HydrophobicContact CE1-CB 3.7Å; R136-H140 PolarHBondContact O-CD2 3.43Å; R136-H140 PolarHBondContact O-N 3.19Å; R136-H140 VanDerWaalsContact O-N 3.07Å; K137-H140 WeakPolarHBondContact O-CB 3.45Å; K137-H140 PolarHBondContact O-N 3.17Å; K137-H140 VanDerWaalsContact O-N 3.15Å; I138-H140 VanDerWaalsContact C-N 3.34Å; I138-H140 PolarHBondContact O-N 3.05Å; H140-K142 PolarHBondContact O-N 3.18Å; H140-T143 PolarHBondContact O-N 3.22Å; H140-T143 PolarHBondContact O-OG1 2.93Å; H140-K144 VanDerWaalsContact O-CB 3.26Å; H140-K144 WeakPolarHBondContact O-CB 3.35Å; H140-K144 WeakPolarHBondContact O-CG 3.34Å; H140-K144 PolarHBondContact O-N 2.79Å; H140-K144 VanDerWaalsContact O-N 3.08Å; H140-L147 HydrophobicContact CB-CD1 4.19Å
141	I	96.8	Very high	96.6	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-58.5	-49.2	178.3	-66.6	167	0	0	0	110.5	F61 W113 K137 I138 T143 K144 L147 S148 I151 L167 F172 I174	F61-I141 HydrophobicContact CE1-CG1 4.25Å; F61-I141 HydrophobicContact CZ-CG1 4.21Å; W113-I141 HydrophobicContact CH2-CD1 4.07Å; W113-I141 HydrophobicContact CH2-CG1 4.25Å; W113-I141 HydrophobicContact CZ2-CD1 4.15Å; W113-I141 HydrophobicContact CZ2-CG1 4.04Å; K137-I141 HydrophobicContact CG-CD1 4.16Å; K137-I141 WeakPolarHBondContact O-CG1 3.47Å; K137-I141 PolarHBondContact O-N 2.93Å; I138-I141 PolarHBondContact O-N 2.82Å; I141-T143 VanDerWaalsContact C-N 3.3Å; I141-T143 PolarHBondContact O-N 2.85Å; I141-K144 PolarHBondContact O-N 2.82Å; I141-L147 HydrophobicContact CB-CB 4.44Å; I141-L147 HydrophobicContact CG1-CB 4.24Å; I141-L147 HydrophobicContact CG1-CD1 4.32Å; I141-S148 WeakPolarHBondContact O-CB 3.42Å; I141-I151 HydrophobicContact CD1-CD1 4.34Å; I141-I151 HydrophobicContact CG2-CD1 3.67Å; I141-L167 HydrophobicContact CB-CD1 4.47Å; I141-L167 HydrophobicContact CD1-CD1 4.03Å; I141-L167 HydrophobicContact CG2-CD1 3.91Å; I141-F172 HydrophobicContact CD1-CE1 4.35Å; I141-I174 HydrophobicContact CD1-CD1 3.46Å; I141-I174 VanDerWaalsContact CD1-CD1 3.46Å
142	K	94.9	Very high	96.5	Very high	147 Å²	147	49.3 Å²	49.3	64%	0.639	26%	0.256	S	S	*	.	H	α-helix	trans	-61.6	-36	-178.9	-176.9	173.7	-179.9	173.6	0	113	I138 H140	I138-K142 VanDerWaalsContact O-CB 3.28Å; I138-K142 WeakPolarHBondContact O-CB 3.27Å; I138-K142 PolarHBondContact O-N 2.74Å; H140-K142 PolarHBondContact O-N 3.18Å
143	T	95.1	Very high	96.4	Very high	63 Å²	63	50.6 Å²	50.6	39%	0.387	26%	0.26	S	S	.	.	H	α-helix	trans	-93.9	-5.9	-174	59.4	0	0	0	0	114.1	H139 H140 I141	H139-T143 WeakPolarHBondContact O-CB 3.14Å; H139-T143 VanDerWaalsContact O-CG2 3.28Å; H139-T143 WeakPolarHBondContact O-CG2 3.34Å; H139-T143 PolarHBondContact O-N 2.95Å; H139-T143 PolarHBondContact O-OG1 3.4Å; H140-T143 PolarHBondContact O-N 3.22Å; H140-T143 PolarHBondContact O-OG1 2.93Å; I141-T143 VanDerWaalsContact C-N 3.3Å; I141-T143 PolarHBondContact O-N 2.85Å
144	K	96.2	Very high	96.3	Very high	73 Å²	73	52.1 Å²	52.1	32%	0.317	27%	0.269	S	S	.	.			trans	-126.3	102	-175.2	-55.6	-63	171.2	-169	0	110.2	H140 I141 P146 L147 S148	H140-K144 VanDerWaalsContact O-CB 3.26Å; H140-K144 WeakPolarHBondContact O-CB 3.35Å; H140-K144 WeakPolarHBondContact O-CG 3.34Å; H140-K144 PolarHBondContact O-N 2.79Å; H140-K144 VanDerWaalsContact O-N 3.08Å; I141-K144 PolarHBondContact O-N 2.82Å; K144-P146 VanDerWaalsContact C-N 3.28Å; K144-P146 VanDerWaalsContact O-N 3.15Å; K144-L147 HydrophobicContact CB-CB 4.42Å; K144-L147 HydrophobicContact CB-CD1 4.11Å; K144-L147 HydrophobicContact CB-CG 4.2Å; K144-L147 WeakPolarHBondContact O-CB 3.34Å; K144-L147 PolarHBondContact O-N 3.33Å; K144-S148 PolarHBondContact O-N 3.04Å
145	P	96.2	Very high	96.1	Very high	90 Å²	90	53.4 Å²	53.4	58%	0.584	28%	0.275	S	S	*	.	H	α-helix	trans	-51.2	-36.4	178.3	-27.2	34.3	0	0	0	115.5	L147 S148 K149	P145-L147 PolarHBondContact O-N 3.41Å; P145-L147 VanDerWaalsContact O-N 3.16Å; P145-S148 WeakPolarHBondContact CA-OG 3.44Å; P145-S148 PolarHBondContact O-N 3.49Å; P145-K149 WeakPolarHBondContact O-CB 3.42Å; P145-K149 PolarHBondContact O-N 2.9Å
146	P	96.9	Very high	95.7	Very high	56 Å²	56	56.8 Å²	56.8	36%	0.364	30%	0.297	S	S	.	.	H	α-helix	trans	-60.1	-21.8	174.3	-28.1	38.5	0	0	0	114.9	Y60 K144 P150	Y60-P146 HydrophobicContact CD2-CB 4.04Å; Y60-P146 HydrophobicContact CE1-CB 4.01Å; Y60-P146 HydrophobicContact CE1-CG 3.81Å; Y60-P146 HydrophobicContact CE2-CB 3.42Å; Y60-P146 VanDerWaalsContact CE2-CB 3.42Å; Y60-P146 HydrophobicContact CE2-CG 4.13Å; K144-P146 VanDerWaalsContact C-N 3.28Å; K144-P146 VanDerWaalsContact O-N 3.15Å; P146-P150 VanDerWaalsContact O-CD 3.28Å; P146-P150 WeakPolarHBondContact O-CD 3.08Å; P146-P150 WeakPolarHBondContact O-CG 3.44Å
147	L	97.2	Very high	95.1	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-93.3	-42	176.1	-65.2	-179.6	0	0	0	112.4	Y60 F61 W113 H140 I141 K144 P145	Y60-L147 HydrophobicContact CD2-CD2 3.91Å; Y60-L147 HydrophobicContact CD2-CG 4.11Å; Y60-L147 HydrophobicContact CG-CD1 4.5Å; Y60-L147 HydrophobicContact CG-CD2 4.35Å; Y60-L147 HydrophobicContact CG-CG 4.15Å; F61-L147 HydrophobicContact CD1-CD1 4.22Å; F61-L147 HydrophobicContact CE1-CD1 3.61Å; F61-L147 HydrophobicContact CE2-CD1 3.95Å; F61-L147 HydrophobicContact CE2-CD2 3.73Å; F61-L147 HydrophobicContact CZ-CD1 3.44Å; F61-L147 VanDerWaalsContact CZ-CD1 3.44Å; F61-L147 HydrophobicContact CZ-CD2 3.87Å; F61-L147 HydrophobicContact CZ-CG 4.26Å; W113-L147 HydrophobicContact CD2-CD2 4.21Å; W113-L147 HydrophobicContact CH2-CD2 4.47Å; W113-L147 HydrophobicContact CZ2-CB 4.14Å; W113-L147 HydrophobicContact CZ2-CD2 3.87Å; W113-L147 PolarHBondContact NE1-O 3.48Å; H140-L147 HydrophobicContact CB-CD1 4.19Å; I141-L147 HydrophobicContact CB-CB 4.44Å; I141-L147 HydrophobicContact CG1-CB 4.24Å; I141-L147 HydrophobicContact CG1-CD1 4.32Å; K144-L147 HydrophobicContact CB-CB 4.42Å; K144-L147 HydrophobicContact CB-CD1 4.11Å; K144-L147 HydrophobicContact CB-CG 4.2Å; K144-L147 WeakPolarHBondContact O-CB 3.34Å; K144-L147 PolarHBondContact O-N 3.33Å; P145-L147 PolarHBondContact O-N 3.41Å; P145-L147 VanDerWaalsContact O-N 3.16Å
148	S	96.1	Very high	93.9	Very high	22 Å²	22	64.9 Å²	64.9	15%	0.154	35%	0.348	C	S	.	.	H	α-helix	trans	-77.2	-38.1	-177.8	55.6	0	0	0	0	113.5	I141 K144 P145 I151 I152	I141-S148 WeakPolarHBondContact O-CB 3.42Å; K144-S148 PolarHBondContact O-N 3.04Å; P145-S148 WeakPolarHBondContact CA-OG 3.44Å; P145-S148 PolarHBondContact O-N 3.49Å; S148-I151 WeakPolarHBondContact O-CB 3.42Å; S148-I151 PolarHBondContact O-N 2.83Å; S148-I151 VanDerWaalsContact O-N 3.15Å; S148-I152 WeakPolarHBondContact O-CG1 3.38Å; S148-I152 PolarHBondContact O-N 3.47Å
149	K	95.4	Very high	92.9	Very high	127 Å²	127	68.8 Å²	68.8	55%	0.552	38%	0.376	S	S	*	.	H	α-helix	trans	-58	-47.2	-176.7	-179.9	178.2	178.1	177.5	0	112.8	P145 I151 I152 D153	P145-K149 WeakPolarHBondContact O-CB 3.42Å; P145-K149 PolarHBondContact O-N 2.9Å; K149-I151 PolarHBondContact O-N 2.78Å; K149-I152 PolarHBondContact O-N 3.48Å; K149-I152 VanDerWaalsContact O-N 3.07Å; K149-D153 PolarHBondContact O-N 2.97Å
150	P	96.3	Very high	92.4	Very high	28 Å²	28	64.7 Å²	64.7	18%	0.182	36%	0.358	C	S	.	.	H	α-helix	trans	-60.2	-34.5	178.6	-23.9	35.7	0	0	0	113	Q116 P146	Q116-P150 PolarHBondContact NE2-O 3.1Å; Q116-P150 PolarHBondContact OE1-O 2.82Å; P146-P150 VanDerWaalsContact O-CD 3.28Å; P146-P150 WeakPolarHBondContact O-CD 3.08Å; P146-P150 WeakPolarHBondContact O-CG 3.44Å
151	I	96.8	Very high	91.9	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-66.9	-43.6	175.1	-58.3	165.7	0	0	0	110.8	F112 W113 I141 S148 K149 V154 H155 L160 L167 F172	F112-I151 HydrophobicContact CD1-CG1 4.14Å; F112-I151 HydrophobicContact CE1-CB 4.38Å; F112-I151 HydrophobicContact CE1-CG1 3.49Å; F112-I151 VanDerWaalsContact CE1-CG1 3.49Å; F112-I151 HydrophobicContact CZ-CG1 4.08Å; W113-I151 HydrophobicContact CZ2-CD1 4.22Å; I141-I151 HydrophobicContact CD1-CD1 4.34Å; I141-I151 HydrophobicContact CG2-CD1 3.67Å; S148-I151 WeakPolarHBondContact O-CB 3.42Å; S148-I151 PolarHBondContact O-N 2.83Å; S148-I151 VanDerWaalsContact O-N 3.15Å; K149-I151 PolarHBondContact O-N 2.78Å; I151-V154 WeakPolarHBondContact O-CG2 3.3Å; I151-V154 PolarHBondContact O-N 3.24Å; I151-H155 PolarHBondContact O-N 2.95Å; I151-L160 HydrophobicContact CG2-CD1 4.01Å; I151-L160 HydrophobicContact CG2-CD2 3.94Å; I151-L167 HydrophobicContact CD1-CD1 4.42Å; I151-L167 HydrophobicContact CG2-CD2 4.44Å; I151-F172 HydrophobicContact CD1-CD1 3.73Å; I151-F172 HydrophobicContact CD1-CE1 3.9Å; I151-F172 HydrophobicContact CG1-CD1 3.94Å; I151-F172 HydrophobicContact CG1-CE1 4.48Å; I151-F172 HydrophobicContact CG2-CD1 4.43Å
152	I	95.1	Very high	91.5	Very high	84 Å²	84	69.6 Å²	69.6	43%	0.431	39%	0.385	S	S	.	.	H	α-helix	trans	-64.8	-41.9	178.5	-64.2	165.7	0	0	0	110.9	S148 K149 V154 H155 L160	S148-I152 WeakPolarHBondContact O-CG1 3.38Å; S148-I152 PolarHBondContact O-N 3.47Å; K149-I152 PolarHBondContact O-N 3.48Å; K149-I152 VanDerWaalsContact O-N 3.07Å; I152-V154 PolarHBondContact O-N 3.28Å; I152-H155 PolarHBondContact O-N 3.32Å; I152-L160 HydrophobicContact CD1-CD1 4.47Å; I152-L160 HydrophobicContact CG1-CD1 3.7Å; I152-L160 HydrophobicContact CG1-CG 4.23Å
153	D	94.4	Very high	91.3	Very high	106 Å²	106	67.7 Å²	67.7	57%	0.567	38%	0.378	S	S	*	.	H	α-helix	trans	-60.7	-20.1	-177.3	-69.7	-15.8	0	0	0	113	K149	K149-D153 PolarHBondContact O-N 2.97Å
154	V	93.4	Very high	90.9	Very high	37 Å²	37	68.2 Å²	68.2	22%	0.224	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	12.4	178.6	-59.2	0	0	0	0	113.6	F112 L121 I151 I152 R171	F112-V154 HydrophobicContact CZ-CG2 4.04Å; L121-V154 HydrophobicContact CD1-CG1 4.17Å; L121-V154 HydrophobicContact CD1-CG2 4.5Å; I151-V154 WeakPolarHBondContact O-CG2 3.3Å; I151-V154 PolarHBondContact O-N 3.24Å; I152-V154 PolarHBondContact O-N 3.28Å; V154-R171 HydrophobicContact CB-CG 4.01Å; V154-R171 HydrophobicContact CG2-CB 3.89Å; V154-R171 HydrophobicContact CG2-CG 3.94Å; V154-R171 WeakPolarHBondContact O-CG 3.45Å
155	H	94.8	Very high	90.8	Very high	30 Å²	30	68.7 Å²	68.7	14%	0.139	39%	0.388	C	S	.	.			trans	-106.2	136	176.4	-176.4	49.9	0	0	0	110.4	I151 I152 T157 S159 L160 D170	I151-H155 PolarHBondContact O-N 2.95Å; I152-H155 PolarHBondContact O-N 3.32Å; H155-T157 PolarHBondContact CD2-O 3.23Å; H155-T157 PolarHBondContact NE2-OG1 3.05Å; H155-S159 PolarHBondContact NE2-O 2.72Å; H155-L160 HydrophobicContact CB-CD2 4.09Å; H155-D170 IonicContact CE1-OD1 3.89Å; H155-D170 PolarHBondContact CE1-OD1 3.3Å; H155-D170 VanDerWaalsContact ND1-CG 3.28Å; H155-D170 PolarHBondContact ND1-N 3.25Å; H155-D170 IonicContact ND1-OD1 3.97Å; H155-D170 PolarHBondContact ND1-OD1 2.57Å; H155-D170 IonicContact ND1-OD2 2.74Å
156	S	88.8	Confident	90.9	Very high	96 Å²	96	65.4 Å²	65.4	67%	0.671	37%	0.366	S	S	*	.	S	Bend	trans	-76.8	-17.8	-175.5	57.2	0	0	0	0	114.6	D170	S156-D170 WeakPolarHBondContact CB-OD2 3.48Å; S156-D170 PolarHBondContact N-OD2 2.92Å; S156-D170 PolarHBondContact OG-OD2 2.79Å
157	T	84.2	Confident	90.9	Very high	68 Å²	68	62.7 Å²	62.7	42%	0.417	35%	0.348	S	S	.	.	S	Bend	trans	-110.1	158.1	-177.7	90.6	0	0	0	0	112.4	H155 S159	H155-T157 PolarHBondContact CD2-O 3.23Å; H155-T157 PolarHBondContact NE2-OG1 3.05Å; T157-S159 PolarHBondContact O-N 3.31Å; T157-S159 PolarHBondContact OG1-N 2.92Å; T157-S159 PolarHBondContact OG1-O 2.9Å
158	D	72.9	Confident	90.9	Very high	179 Å²	179	64 Å²	64	96%	0.957	36%	0.355	S	S	*	.	S	Bend	trans	-69.6	-14.1	-177.8	-64.9	-31.6	0	0	0	113.8
159	S	76.9	Confident	90.9	Very high	90 Å²	90	63 Å²	63	63%	0.629	35%	0.349	S	S	*	.			trans	-136	120.3	-174.2	65.5	0	0	0	0	113.2	H155 T157	H155-S159 PolarHBondContact NE2-O 2.72Å; T157-S159 PolarHBondContact O-N 3.31Å; T157-S159 PolarHBondContact OG1-N 2.92Å; T157-S159 PolarHBondContact OG1-O 2.9Å
160	L	84.9	Confident	91	Very high	28 Å²	28	60 Å²	60	15%	0.147	34%	0.338	C	S	.	.			trans	-70.9	142.2	170	-62.7	173.4	0	0	0	111	I151 I152 H155 L162	I151-L160 HydrophobicContact CG2-CD1 4.01Å; I151-L160 HydrophobicContact CG2-CD2 3.94Å; I152-L160 HydrophobicContact CD1-CD1 4.47Å; I152-L160 HydrophobicContact CG1-CD1 3.7Å; I152-L160 HydrophobicContact CG1-CG 4.23Å; H155-L160 HydrophobicContact CB-CD2 4.09Å; L160-L162 HydrophobicContact CB-CD1 3.97Å; L160-L162 HydrophobicContact CB-CG 3.9Å; L160-L162 HydrophobicContact CD1-CD1 4.41Å; L160-L162 PolarHBondContact O-N 3.28Å
161	L	87.3	Confident	91.1	Very high	68 Å²	68	62 Å²	62	36%	0.356	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	113.9	164	179.2	66.9	0	0	0	108.1	E163 V166 L167 D168 F192	L161-E163 HydrophobicContact CD1-CG 4.16Å; L161-V166 HydrophobicContact CD2-CG1 4.11Å; L161-L167 VanDerWaalsContact O-CA 3.3Å; L161-L167 WeakPolarHBondContact O-CA 3.32Å; L161-D168 HydrophobicContact CB-CB 4.09Å; L161-D168 HydrophobicContact CD2-CB 4.04Å; L161-D168 PolarHBondContact N-O 2.94Å; L161-D168 PolarHBondContact O-N 3.46Å; L161-F192 HydrophobicContact CD2-CE1 3.81Å
162	L	87.3	Confident	91.1	Very high	69 Å²	69	62 Å²	62	36%	0.361	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	87.8	-176.3	-75.3	167.5	0	0	0	110.4	I138 L160 L167	I138-L162 HydrophobicContact CG2-CD2 4.21Å; L160-L162 HydrophobicContact CB-CD1 3.97Å; L160-L162 HydrophobicContact CB-CG 3.9Å; L160-L162 HydrophobicContact CD1-CD1 4.41Å; L160-L162 PolarHBondContact O-N 3.28Å; L162-L167 HydrophobicContact CD2-CB 4.14Å; L162-L167 HydrophobicContact CD2-CD1 3.41Å; L162-L167 VanDerWaalsContact CD2-CD1 3.41Å; L162-L167 HydrophobicContact CD2-CG 3.58Å
163	E	91	Very high	91.3	Very high	107 Å²	107	58 Å²	58	50%	0.5	32%	0.322	S	S	.	.			trans	-102.7	173.8	173.1	-63.9	-175	-173.8	0	0	111.2	L161 H165 V166	L161-E163 HydrophobicContact CD1-CG 4.16Å; E163-H165 PolarHBondContact O-N 3.37Å; E163-V166 HydrophobicContact CB-CB 4.41Å; E163-V166 PolarHBondContact N-O 2.94Å
164	S	87.6	Confident	91.5	Very high	75 Å²	75	53.1 Å²	53.1	52%	0.524	30%	0.296	S	S	.	.	S	Bend	trans	-59	-34.1	-178	-177.4	0	0	0	0	113	A135	A135-S164 WeakPolarHBondContact CA-O 3.32Å; A135-S164 VanDerWaalsContact CB-O 3.26Å; A135-S164 WeakPolarHBondContact CB-O 3.25Å
165	H	94.1	Very high	91.7	Very high	83 Å²	83	51.4 Å²	51.4	38%	0.384	29%	0.285	S	S	.	.	S	Bend	trans	-126.5	10.7	-173.6	-52.5	-59	0	0	0	113.1	P131 E163 G176	P131-H165 HydrophobicContact CB-CB 4.48Å; P131-H165 PolarHBondContact O-ND1 3.25Å; E163-H165 PolarHBondContact O-N 3.37Å; H165-G176 PolarHBondContact O-N 2.9Å
166	V	97.1	Very high	91.9	Very high	20 Å²	20	50.1 Å²	50.1	12%	0.121	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	130.1	-179.9	175.7	0	0	0	0	109.2	I138 L161 E163 I174 F192	I138-V166 VanDerWaalsContact CD1-C 3.43Å; L161-V166 HydrophobicContact CD2-CG1 4.11Å; E163-V166 HydrophobicContact CB-CB 4.41Å; E163-V166 PolarHBondContact N-O 2.94Å; V166-I174 VanDerWaalsContact CA-O 3.31Å; V166-I174 WeakPolarHBondContact CA-O 3.48Å; V166-F192 HydrophobicContact CB-CZ 4.36Å; V166-F192 HydrophobicContact CG1-CE1 3.78Å; V166-F192 HydrophobicContact CG1-CE2 3.89Å; V166-F192 HydrophobicContact CG1-CZ 3.38Å; V166-F192 HydrophobicContact CG2-CE2 4.19Å; V166-F192 HydrophobicContact CG2-CZ 4.09Å
167	L	97.4	Very high	92.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	127.2	161.4	180	160.6	0	0	0	107	I138 I141 I151 L161 L162 F172 C173 I174	I138-L167 HydrophobicContact CD1-CB 3.93Å; I138-L167 HydrophobicContact CG1-CB 3.98Å; I141-L167 HydrophobicContact CB-CD1 4.47Å; I141-L167 HydrophobicContact CD1-CD1 4.03Å; I141-L167 HydrophobicContact CG2-CD1 3.91Å; I151-L167 HydrophobicContact CD1-CD1 4.42Å; I151-L167 HydrophobicContact CG2-CD2 4.44Å; L161-L167 VanDerWaalsContact O-CA 3.3Å; L161-L167 WeakPolarHBondContact O-CA 3.32Å; L162-L167 HydrophobicContact CD2-CB 4.14Å; L162-L167 HydrophobicContact CD2-CD1 3.41Å; L162-L167 VanDerWaalsContact CD2-CD1 3.41Å; L162-L167 HydrophobicContact CD2-CG 3.58Å; L167-F172 HydrophobicContact CD2-CD1 4.02Å; L167-F172 HydrophobicContact CD2-CE1 4.48Å; L167-C173 CarbonylContact O-C 3.43Å; L167-C173 VanDerWaalsContact O-CA 3.25Å; L167-C173 WeakPolarHBondContact O-CA 3.37Å; L167-I174 HydrophobicContact CB-CB 4.25Å; L167-I174 HydrophobicContact CB-CD1 4.31Å; L167-I174 HydrophobicContact CB-CG1 4.32Å; L167-I174 HydrophobicContact CD1-CD1 4.29Å; L167-I174 PolarHBondContact N-O 3.12Å; L167-I174 PolarHBondContact O-N 2.92Å
168	D	97.4	Very high	93	Very high	27 Å²	27	44.6 Å²	44.6	14%	0.144	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	139.9	175.8	-170.4	51.6	0	0	0	112	K124 L161 C173 F192	K124-D168 WeakPolarHBondContact CE-OD1 3.36Å; K124-D168 IonicContact NZ-OD1 2.8Å; K124-D168 PolarHBondContact NZ-OD1 3.12Å; K124-D168 IonicContact NZ-OD2 3.74Å; L161-D168 HydrophobicContact CB-CB 4.09Å; L161-D168 HydrophobicContact CD2-CB 4.04Å; L161-D168 PolarHBondContact N-O 2.94Å; L161-D168 PolarHBondContact O-N 3.46Å; D168-C173 PolarHBondContact OD1-SG 3.48Å; D168-C173 VanDerWaalsContact OD1-SG 3.42Å; D168-F192 HydrophobicContact CB-CD1 3.9Å; D168-F192 HydrophobicContact CB-CE1 4.2Å
169	S	96.6	Very high	94.2	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.014	20%	0.199	C	C	.	.			trans	-150.2	175.2	176.3	75.6	0	0	0	0	109.1	K124 R171 F172	K124-S169 VanDerWaalsContact CE-O 3.3Å; K124-S169 WeakPolarHBondContact CE-O 3.17Å; K124-S169 PolarHBondContact NZ-O 3.28Å; S169-R171 VanDerWaalsContact C-N 3.26Å; S169-R171 PolarHBondContact O-N 2.84Å; S169-F172 WeakPolarHBondContact CB-O 3.48Å; S169-F172 PolarHBondContact N-O 3.32Å; S169-F172 WeakPolarHBondContact OG-CA 3.32Å; S169-F172 WeakPolarHBondContact OG-CB 3.46Å; S169-F172 PolarHBondContact OG-N 3.42Å; S169-F172 PolarHBondContact OG-O 3.26Å
170	D	96.5	Very high	95.2	Very high	63 Å²	63	36.2 Å²	36.2	34%	0.337	18%	0.183	S	C	.	.	S	Bend	trans	-62.4	-35.7	-177.5	-64.8	2.9	0	0	0	112.5	H155 S156	H155-D170 IonicContact CE1-OD1 3.89Å; H155-D170 PolarHBondContact CE1-OD1 3.3Å; H155-D170 VanDerWaalsContact ND1-CG 3.28Å; H155-D170 PolarHBondContact ND1-N 3.25Å; H155-D170 IonicContact ND1-OD1 3.97Å; H155-D170 PolarHBondContact ND1-OD1 2.57Å; H155-D170 IonicContact ND1-OD2 2.74Å; S156-D170 WeakPolarHBondContact CB-OD2 3.48Å; S156-D170 PolarHBondContact N-OD2 2.92Å; S156-D170 PolarHBondContact OG-OD2 2.79Å
171	R	97.6	Very high	95.8	Very high	71 Å²	71	39 Å²	39	27%	0.268	20%	0.198	S	C	.	.	S	Bend	trans	-115	-11.6	-170.5	-54.1	-58.4	-64.2	-77.8	0.8	113.6	L121 P122 R123 L125 V154 S169	L121-R171 PolarHBondContact O-NH2 2.63Å; P122-R171 VanDerWaalsContact O-CZ 3.3Å; P122-R171 PolarHBondContact O-NE 3.38Å; P122-R171 VanDerWaalsContact O-NE 3.13Å; P122-R171 PolarHBondContact O-NH2 2.9Å; R123-R171 VanDerWaalsContact O-CD 3.25Å; R123-R171 WeakPolarHBondContact O-CD 3.28Å; R123-R171 PolarHBondContact O-NE 2.9Å; L125-R171 PolarHBondContact N-O 3.07Å; V154-R171 HydrophobicContact CB-CG 4.01Å; V154-R171 HydrophobicContact CG2-CB 3.89Å; V154-R171 HydrophobicContact CG2-CG 3.94Å; V154-R171 WeakPolarHBondContact O-CG 3.45Å; S169-R171 VanDerWaalsContact C-N 3.26Å; S169-R171 PolarHBondContact O-N 2.84Å
172	F	98.5	Very high	96.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	131.3	-174.9	-173.6	-129.6	0	0	0	112.1	F112 W113 L125 E127 I141 I151 L167 S169 I174	F112-F172 HydrophobicContact CB-CD2 3.95Å; F112-F172 HydrophobicContact CB-CE2 3.81Å; F112-F172 HydrophobicContact CB-CG 4.5Å; F112-F172 HydrophobicContact CB-CZ 4.23Å; F112-F172 HydrophobicContact CD1-CD1 4.36Å; F112-F172 HydrophobicContact CD1-CG 4.36Å; F112-F172 HydrophobicContact CD2-CB 3.71Å; F112-F172 HydrophobicContact CD2-CD1 4.48Å; F112-F172 AromaticContact CD2-CD2 3.66Å; F112-F172 HydrophobicContact CD2-CD2 3.66Å; F112-F172 HydrophobicContact CD2-CE2 4.39Å; F112-F172 AromaticContact CD2-CG 3.71Å; F112-F172 HydrophobicContact CD2-CG 3.71Å; F112-F172 HydrophobicContact CE2-CB 3.54Å; F112-F172 HydrophobicContact CE2-CD2 4.39Å; F112-F172 HydrophobicContact CE2-CG 4.03Å; F112-F172 HydrophobicContact CG-CB 4.35Å; F112-F172 HydrophobicContact CG-CD1 4.3Å; F112-F172 AromaticContact CG-CD2 3.8Å; F112-F172 HydrophobicContact CG-CD2 3.8Å; F112-F172 HydrophobicContact CG-CE2 4.11Å; F112-F172 AromaticContact CG-CG 3.91Å; F112-F172 HydrophobicContact CG-CG 3.91Å; F112-F172 HydrophobicContact CG-CZ 4.47Å; F112-F172 HydrophobicContact CZ-CB 4.05Å; F112-F172 HydrophobicContact CZ-CG 4.47Å; W113-F172 HydrophobicContact CH2-CE1 4.48Å; W113-F172 HydrophobicContact CH2-CZ 4.49Å; L125-F172 HydrophobicContact CB-CD2 4.32Å; L125-F172 HydrophobicContact CD2-CD2 3.73Å; L125-F172 HydrophobicContact CD2-CE2 3.59Å; L125-F172 CarbonylContact O-C 3.36Å; L125-F172 WeakPolarHBondContact O-CA 3.37Å; E127-F172 HydrophobicContact CG-CE2 3.83Å; E127-F172 HydrophobicContact CG-CZ 4.3Å; E127-F172 WeakPolarHBondContact OE2-CZ 3.33Å; I141-F172 HydrophobicContact CD1-CE1 4.35Å; I151-F172 HydrophobicContact CD1-CD1 3.73Å; I151-F172 HydrophobicContact CD1-CE1 3.9Å; I151-F172 HydrophobicContact CG1-CD1 3.94Å; I151-F172 HydrophobicContact CG1-CE1 4.48Å; I151-F172 HydrophobicContact CG2-CD1 4.43Å; L167-F172 HydrophobicContact CD2-CD1 4.02Å; L167-F172 HydrophobicContact CD2-CE1 4.48Å; S169-F172 WeakPolarHBondContact CB-O 3.48Å; S169-F172 PolarHBondContact N-O 3.32Å; S169-F172 WeakPolarHBondContact OG-CA 3.32Å; S169-F172 WeakPolarHBondContact OG-CB 3.46Å; S169-F172 PolarHBondContact OG-N 3.42Å; S169-F172 PolarHBondContact OG-O 3.26Å; F172-I174 HydrophobicContact CD1-CD1 4.49Å; F172-I174 HydrophobicContact CD1-CG1 4.35Å; F172-I174 HydrophobicContact CE1-CD1 3.46Å; F172-I174 VanDerWaalsContact CE1-CD1 3.46Å; F172-I174 HydrophobicContact CE1-CG1 3.58Å; F172-I174 HydrophobicContact CE2-CG1 4.16Å; F172-I174 HydrophobicContact CZ-CD1 3.58Å; F172-I174 HydrophobicContact CZ-CG1 3.47Å; F172-I174 VanDerWaalsContact CZ-CG1 3.47Å
173	C	98.5	Very high	96.9	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	136.7	177.7	-173.9	0	0	0	0	109.9	L125 F126 E127 L167 D168	L125-C173 PolarHBondContact O-N 3.11Å; F126-C173 CarbonylContact C-O 3.54Å; F126-C173 WeakPolarHBondContact CA-O 3.34Å; F126-C173 HydrophobicContact CD1-CB 3.71Å; F126-C173 HydrophobicContact CE1-CB 4.1Å; E127-C173 PolarHBondContact N-O 3.17Å; L167-C173 CarbonylContact O-C 3.43Å; L167-C173 VanDerWaalsContact O-CA 3.25Å; L167-C173 WeakPolarHBondContact O-CA 3.37Å; D168-C173 PolarHBondContact OD1-SG 3.48Å; D168-C173 VanDerWaalsContact OD1-SG 3.42Å
174	I	98.5	Very high	97.2	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.01	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	126.6	174.1	-46.9	174	0	0	0	107.9	E127 V134 K137 I138 I141 V166 L167 F172	E127-I174 HydrophobicContact CB-CG1 4.37Å; E127-I174 HydrophobicContact CB-CG2 4.18Å; E127-I174 CarbonylContact O-C 3.53Å; E127-I174 WeakPolarHBondContact O-CA 3.38Å; V134-I174 HydrophobicContact CB-CG2 4.33Å; V134-I174 HydrophobicContact CG1-CG2 3.72Å; V134-I174 HydrophobicContact CG2-CG2 3.9Å; K137-I174 HydrophobicContact CD-CD1 4.14Å; K137-I174 HydrophobicContact CG-CD1 4.44Å; I138-I174 HydrophobicContact CG1-CD1 4.5Å; I141-I174 HydrophobicContact CD1-CD1 3.46Å; I141-I174 VanDerWaalsContact CD1-CD1 3.46Å; V166-I174 VanDerWaalsContact CA-O 3.31Å; V166-I174 WeakPolarHBondContact CA-O 3.48Å; L167-I174 HydrophobicContact CB-CB 4.25Å; L167-I174 HydrophobicContact CB-CD1 4.31Å; L167-I174 HydrophobicContact CB-CG1 4.32Å; L167-I174 HydrophobicContact CD1-CD1 4.29Å; L167-I174 PolarHBondContact N-O 3.12Å; L167-I174 PolarHBondContact O-N 2.92Å; F172-I174 HydrophobicContact CD1-CD1 4.49Å; F172-I174 HydrophobicContact CD1-CG1 4.35Å; F172-I174 HydrophobicContact CE1-CD1 3.46Å; F172-I174 VanDerWaalsContact CE1-CD1 3.46Å; F172-I174 HydrophobicContact CE1-CG1 3.58Å; F172-I174 HydrophobicContact CE2-CG1 4.16Å; F172-I174 HydrophobicContact CZ-CD1 3.58Å; F172-I174 HydrophobicContact CZ-CG1 3.47Å; F172-I174 VanDerWaalsContact CZ-CG1 3.47Å
175	I	98.4	Very high	97.7	Very high	1 Å²	1	30 Å²	30	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	123.8	-173.3	-57.9	171.7	0	0	0	110.2	F126 E127 V128 D129 A177 K188 L189 F192	F126-I175 HydrophobicContact CD1-CD1 4.47Å; E127-I175 PolarHBondContact O-N 3.08Å; V128-I175 WeakPolarHBondContact CA-O 3.34Å; D129-I175 PolarHBondContact N-O 3.08Å; I175-A177 HydrophobicContact CG2-CB 4.23Å; I175-A177 PolarHBondContact O-N 2.59Å; I175-K188 HydrophobicContact CG2-CB 3.85Å; I175-K188 HydrophobicContact CG2-CD 3.77Å; I175-K188 HydrophobicContact CG2-CG 4.35Å; I175-L189 HydrophobicContact CD1-CD2 3.73Å; I175-L189 HydrophobicContact CD1-CG 4.22Å; I175-F192 HydrophobicContact CD1-CD2 3.72Å; I175-F192 HydrophobicContact CD1-CE2 4.46Å; I175-F192 HydrophobicContact CG1-CD2 3.96Å; I175-F192 HydrophobicContact CG1-CE2 4.34Å
176	G	98.4	Very high	97.9	Very high	4 Å²	4	27.6 Å²	27.6	4%	0.041	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	105.1	167.5	0	0	0	0	0	111	D129 H165 K188	D129-G176 CarbonylContact O-C 3.48Å; D129-G176 WeakPolarHBondContact O-CA 3.45Å; H165-G176 PolarHBondContact O-N 2.9Å; G176-K188 PolarHBondContact O-NZ 3.39Å
177	A	97.9	Very high	98	Very high	2 Å²	2	33.3 Å²	33.3	2%	0.017	17%	0.172	C	C	.	.			trans	-149.7	152.4	177.5	0	0	0	0	0	111.8	V128 D129 I175 L185 K188	V128-A177 HydrophobicContact CG1-CB 3.92Å; D129-A177 CarbonylContact C-O 3.56Å; D129-A177 PolarHBondContact O-N 3.34Å; I175-A177 HydrophobicContact CG2-CB 4.23Å; I175-A177 PolarHBondContact O-N 2.59Å; A177-L185 HydrophobicContact CB-CD1 4.28Å; A177-K188 HydrophobicContact CB-CD 4.03Å
178	D	97.8	Very high	98	Very high	46 Å²	46	37.1 Å²	37.1	25%	0.246	19%	0.189	C	C	.	.			trans	-87.7	119.8	169.9	-172.8	-20.5	0	0	0	108.8	F130 R180 D181	F130-D178 HydrophobicContact CE1-CB 4.2Å; D178-R180 VanDerWaalsContact CG-NE 3.34Å; D178-R180 PolarHBondContact O-N 2.77Å; D178-R180 VanDerWaalsContact O-N 3.13Å; D178-R180 VanDerWaalsContact OD1-CB 3.23Å; D178-R180 WeakPolarHBondContact OD1-CB 3.39Å; D178-R180 VanDerWaalsContact OD1-CG 3.27Å; D178-R180 WeakPolarHBondContact OD1-CG 3.43Å; D178-R180 IonicContact OD1-CZ 3.25Å; D178-R180 PolarHBondContact OD1-N 2.66Å; D178-R180 IonicContact OD1-NE 3.18Å; D178-R180 PolarHBondContact OD1-NE 3.32Å; D178-R180 IonicContact OD1-NH2 2.69Å; D178-R180 IonicContact OD2-CZ 3.05Å; D178-R180 IonicContact OD2-NE 2.74Å; D178-R180 PolarHBondContact OD2-NE 2.8Å; D178-R180 IonicContact OD2-NH2 2.88Å; D178-R180 PolarHBondContact OD2-NH2 3.12Å; D178-D181 PolarHBondContact O-N 2.98Å
179	L	98.4	Very high	98.1	Very high	15 Å²	15	35.9 Å²	35.9	8%	0.079	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-16	-179.7	-63.4	179.8	0	0	0	113.3	L104 V128 D181 L185 V207 M211 L219	L104-L179 HydrophobicContact CB-CD1 4.07Å; L104-L179 HydrophobicContact CB-CD2 4.35Å; L104-L179 HydrophobicContact CD2-CD2 3.83Å; V128-L179 HydrophobicContact CB-CD2 4.2Å; V128-L179 HydrophobicContact CG1-CD2 3.64Å; L179-D181 VanDerWaalsContact C-N 3.32Å; L179-L185 HydrophobicContact CD2-CD1 4.4Å; L179-L185 HydrophobicContact CD2-CD2 3.87Å; L179-V207 HydrophobicContact CD1-CG1 3.61Å; L179-M211 HydrophobicContact CB-CE 4.06Å; L179-M211 HydrophobicContact CB-SD 3.97Å; L179-M211 WeakPolarHBondContact O-CE 3.4Å; L179-L219 HydrophobicContact CB-CD2 4.12Å; L179-L219 HydrophobicContact CD1-CD2 4.39Å
180	R	97.7	Very high	98.1	Very high	78 Å²	78	40.8 Å²	40.8	29%	0.294	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-24.6	175.1	-57.4	171.7	-64.8	-166.7	4.1	111.9	D30 D178 V182 M211 Q215	D30-R180 IonicContact OD1-CZ 2.66Å; D30-R180 IonicContact OD1-NH1 3.08Å; D30-R180 PolarHBondContact OD1-NH1 2.99Å; D30-R180 IonicContact OD1-NH2 3.29Å; D30-R180 IonicContact OD2-CZ 3.3Å; D30-R180 IonicContact OD2-NH1 2.67Å; D30-R180 PolarHBondContact OD2-NH1 2.98Å; D30-R180 IonicContact OD2-NH2 3.07Å; D30-R180 PolarHBondContact OD2-NH2 3.48Å; D178-R180 VanDerWaalsContact CG-NE 3.34Å; D178-R180 PolarHBondContact O-N 2.77Å; D178-R180 VanDerWaalsContact O-N 3.13Å; D178-R180 VanDerWaalsContact OD1-CB 3.23Å; D178-R180 WeakPolarHBondContact OD1-CB 3.39Å; D178-R180 VanDerWaalsContact OD1-CG 3.27Å; D178-R180 WeakPolarHBondContact OD1-CG 3.43Å; D178-R180 IonicContact OD1-CZ 3.25Å; D178-R180 PolarHBondContact OD1-N 2.66Å; D178-R180 IonicContact OD1-NE 3.18Å; D178-R180 PolarHBondContact OD1-NE 3.32Å; D178-R180 IonicContact OD1-NH2 2.69Å; D178-R180 IonicContact OD2-CZ 3.05Å; D178-R180 IonicContact OD2-NE 2.74Å; D178-R180 PolarHBondContact OD2-NE 2.8Å; D178-R180 IonicContact OD2-NH2 2.88Å; D178-R180 PolarHBondContact OD2-NH2 3.12Å; R180-V182 PolarHBondContact O-N 2.88Å; R180-M211 HydrophobicContact CB-CE 4.36Å; R180-M211 HydrophobicContact CG-CE 3.77Å; R180-M211 HydrophobicContact CG-CG 4.24Å; R180-Q215 HydrophobicContact CB-CG 4.41Å; R180-Q215 HydrophobicContact CG-CB 4.43Å; R180-Q215 HydrophobicContact CG-CG 4.32Å
181	D	98.2	Very high	98.2	Very high	86 Å²	86	45.8 Å²	45.8	46%	0.46	22%	0.215	S	C	.	.			trans	-94.8	76	174.3	178.9	22	0	0	0	110.2	D178 L179 P183 G184 L185	D178-D181 PolarHBondContact O-N 2.98Å; L179-D181 VanDerWaalsContact C-N 3.32Å; D181-P183 WeakPolarHBondContact OD1-CD 3.28Å; D181-G184 PolarHBondContact O-N 3.23Å; D181-G184 PolarHBondContact OD1-N 3.25Å; D181-L185 WeakPolarHBondContact O-CB 3.31Å; D181-L185 PolarHBondContact O-N 2.88Å
182	V	98.5	Very high	98.1	Very high	18 Å²	18	43 Å²	43	11%	0.109	21%	0.205	C	C	.	.	H	α-helix	trans	-59.1	-42.8	-177	176.5	0	0	0	0	113.1	R180 L185 D186 L219 W222	R180-V182 PolarHBondContact O-N 2.88Å; V182-L185 WeakPolarHBondContact O-CB 3.3Å; V182-L185 PolarHBondContact O-N 2.95Å; V182-D186 PolarHBondContact O-N 2.93Å; V182-L219 HydrophobicContact CG2-CB 4.29Å; V182-L219 HydrophobicContact CG2-CD1 4.26Å; V182-W222 HydrophobicContact CG1-CB 3.4Å; V182-W222 VanDerWaalsContact CG1-CB 3.4Å; V182-W222 HydrophobicContact CG1-CD2 4.02Å; V182-W222 HydrophobicContact CG1-CG 3.38Å
183	P	98.3	Very high	98	Very high	98 Å²	98	48.5 Å²	48.5	64%	0.636	23%	0.23	S	C	*	.	H	α-helix	trans	-59.7	-45.7	174.4	-25.1	35.8	0	0	0	113.1	D181 L185 D186 E187	D181-P183 WeakPolarHBondContact OD1-CD 3.28Å; P183-L185 VanDerWaalsContact C-N 3.31Å; P183-L185 PolarHBondContact O-N 2.98Å; P183-D186 PolarHBondContact O-N 3.07Å; P183-E187 PolarHBondContact O-N 3.41Å
184	G	98.1	Very high	98	Very high	12 Å²	12	49 Å²	49	12%	0.124	23%	0.233	C	C	.	.	H	α-helix	trans	-66.6	-32.2	177.6	0	0	0	0	0	113.3	D181 K188	D181-G184 PolarHBondContact O-N 3.23Å; D181-G184 PolarHBondContact OD1-N 3.25Å; G184-K188 WeakPolarHBondContact O-CG 3.25Å; G184-K188 PolarHBondContact O-N 3.07Å
185	L	98.3	Very high	98	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-63.3	-51.3	171.8	173.6	61.3	0	0	0	111.8	L104 V128 A177 L179 D181 V182 P183 E187 K188 L189 L219 W222	L104-L185 HydrophobicContact CD2-CD2 4.39Å; V128-L185 HydrophobicContact CB-CD1 4.38Å; V128-L185 HydrophobicContact CG1-CD1 3.67Å; V128-L185 HydrophobicContact CG2-CD1 3.95Å; A177-L185 HydrophobicContact CB-CD1 4.28Å; L179-L185 HydrophobicContact CD2-CD1 4.4Å; L179-L185 HydrophobicContact CD2-CD2 3.87Å; D181-L185 WeakPolarHBondContact O-CB 3.31Å; D181-L185 PolarHBondContact O-N 2.88Å; V182-L185 WeakPolarHBondContact O-CB 3.3Å; V182-L185 PolarHBondContact O-N 2.95Å; P183-L185 VanDerWaalsContact C-N 3.31Å; P183-L185 PolarHBondContact O-N 2.98Å; L185-E187 PolarHBondContact O-N 2.69Å; L185-K188 PolarHBondContact O-N 2.67Å; L185-L189 HydrophobicContact CD1-CD1 3.72Å; L185-L189 HydrophobicContact CD1-CG 4.1Å; L185-L189 HydrophobicContact CG-CD1 3.85Å; L185-L189 WeakPolarHBondContact O-CG 3.37Å; L185-L189 PolarHBondContact O-N 3.24Å; L185-L219 HydrophobicContact CD2-CD1 3.6Å; L185-W222 HydrophobicContact CD2-CH2 4.44Å; L185-W222 HydrophobicContact CD2-CZ3 4.29Å
186	D	98.4	Very high	98	Very high	33 Å²	33	53.2 Å²	53.2	18%	0.176	26%	0.257	C	S	.	.	H	α-helix	trans	-60.3	-45.4	-179.7	-176.6	77.9	0	0	0	111.5	V182 P183 K188 L189 R190 W222	V182-D186 PolarHBondContact O-N 2.93Å; P183-D186 PolarHBondContact O-N 3.07Å; D186-K188 PolarHBondContact O-N 2.86Å; D186-L189 PolarHBondContact O-N 3.16Å; D186-R190 VanDerWaalsContact CG-NE 3.28Å; D186-R190 WeakPolarHBondContact O-CB 3.34Å; D186-R190 WeakPolarHBondContact O-CG 3.33Å; D186-R190 PolarHBondContact O-N 2.83Å; D186-R190 IonicContact OD1-CZ 2.89Å; D186-R190 IonicContact OD1-NE 3.22Å; D186-R190 PolarHBondContact OD1-NE 3.44Å; D186-R190 IonicContact OD1-NH2 3.87Å; D186-R190 PolarHBondContact OD1-NH2 3.12Å; D186-R190 WeakPolarHBondContact OD2-CD 3.29Å; D186-R190 IonicContact OD2-CZ 3.42Å; D186-R190 IonicContact OD2-NE 3.43Å; D186-R190 PolarHBondContact OD2-NE 3.32Å; D186-R190 IonicContact OD2-NH2 2.79Å; D186-W222 HydrophobicContact CB-CZ2 4.26Å; D186-W222 PolarHBondContact OD1-NE1 3.19Å
187	E	98.3	Very high	98	Very high	140 Å²	140	59.2 Å²	59.2	65%	0.654	28%	0.284	S	S	*	.	H	α-helix	trans	-56.5	-48.6	176.8	-173.7	-170.2	159.9	0	0	111.4	P183 L185 R190 R191	P183-E187 PolarHBondContact O-N 3.41Å; L185-E187 PolarHBondContact O-N 2.69Å; E187-R190 PolarHBondContact O-N 3.03Å; E187-R191 WeakPolarHBondContact O-CB 3.44Å; E187-R191 PolarHBondContact O-N 3.5Å
188	K	97.8	Very high	98	Very high	81 Å²	81	61.4 Å²	61.4	35%	0.352	30%	0.295	S	S	.	.	H	α-helix	trans	-65	-45.2	179.7	-74.1	173.3	178.6	174.9	0	111.9	I175 G176 A177 G184 L185 D186 R190 R191 F192	I175-K188 HydrophobicContact CG2-CB 3.85Å; I175-K188 HydrophobicContact CG2-CD 3.77Å; I175-K188 HydrophobicContact CG2-CG 4.35Å; G176-K188 PolarHBondContact O-NZ 3.39Å; A177-K188 HydrophobicContact CB-CD 4.03Å; G184-K188 WeakPolarHBondContact O-CG 3.25Å; G184-K188 PolarHBondContact O-N 3.07Å; L185-K188 PolarHBondContact O-N 2.67Å; D186-K188 PolarHBondContact O-N 2.86Å; K188-R190 PolarHBondContact O-N 3.43Å; K188-R191 WeakPolarHBondContact O-CB 3.46Å; K188-R191 PolarHBondContact O-N 3.37Å; K188-F192 WeakPolarHBondContact O-CD2 3.48Å; K188-F192 PolarHBondContact O-N 3.33Å
189	L	98.4	Very high	98	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-60.8	-44.9	178.7	-75.6	166.1	0	0	0	111.4	I102 F126 V128 I175 L185 D186 R191 F192 Q193 L194 W222	I102-L189 HydrophobicContact CD1-CD1 4.43Å; F126-L189 HydrophobicContact CB-CD2 3.95Å; F126-L189 HydrophobicContact CD1-CD2 3.79Å; F126-L189 HydrophobicContact CG-CD2 3.95Å; V128-L189 HydrophobicContact CG2-CD2 4.2Å; I175-L189 HydrophobicContact CD1-CD2 3.73Å; I175-L189 HydrophobicContact CD1-CG 4.22Å; L185-L189 HydrophobicContact CD1-CD1 3.72Å; L185-L189 HydrophobicContact CD1-CG 4.1Å; L185-L189 HydrophobicContact CG-CD1 3.85Å; L185-L189 WeakPolarHBondContact O-CG 3.37Å; L185-L189 PolarHBondContact O-N 3.24Å; D186-L189 PolarHBondContact O-N 3.16Å; L189-R191 PolarHBondContact O-N 3.13Å; L189-F192 CarbonylContact O-C 3.55Å; L189-F192 PolarHBondContact O-N 3.33Å; L189-F192 VanDerWaalsContact O-N 3.12Å; L189-Q193 PolarHBondContact O-N 3.32Å; L189-L194 HydrophobicContact CB-CB 3.99Å; L189-L194 HydrophobicContact CB-CD2 3.63Å; L189-L194 HydrophobicContact CB-CG 4.39Å; L189-L194 HydrophobicContact CD1-CD2 4.2Å; L189-L194 HydrophobicContact CG-CD2 4.44Å; L189-L194 VanDerWaalsContact O-CB 3.25Å; L189-L194 WeakPolarHBondContact O-CB 3.1Å; L189-L194 PolarHBondContact O-N 3.41Å; L189-L194 VanDerWaalsContact O-N 3.07Å; L189-W222 HydrophobicContact CD1-CH2 3.64Å; L189-W222 HydrophobicContact CD1-CZ2 4Å
190	R	98	Very high	98.1	Very high	105 Å²	105	59 Å²	59	40%	0.396	28%	0.283	S	S	.	.	H	α-helix	trans	-63.7	-39.4	176.5	-71.1	179.4	-169.2	-72.7	-13.6	112.5	D186 E187 K188 F192 Q193	D186-R190 VanDerWaalsContact CG-NE 3.28Å; D186-R190 WeakPolarHBondContact O-CB 3.34Å; D186-R190 WeakPolarHBondContact O-CG 3.33Å; D186-R190 PolarHBondContact O-N 2.83Å; D186-R190 IonicContact OD1-CZ 2.89Å; D186-R190 IonicContact OD1-NE 3.22Å; D186-R190 PolarHBondContact OD1-NE 3.44Å; D186-R190 IonicContact OD1-NH2 3.87Å; D186-R190 PolarHBondContact OD1-NH2 3.12Å; D186-R190 WeakPolarHBondContact OD2-CD 3.29Å; D186-R190 IonicContact OD2-CZ 3.42Å; D186-R190 IonicContact OD2-NE 3.43Å; D186-R190 PolarHBondContact OD2-NE 3.32Å; D186-R190 IonicContact OD2-NH2 2.79Å; E187-R190 PolarHBondContact O-N 3.03Å; K188-R190 PolarHBondContact O-N 3.43Å; R190-F192 PolarHBondContact O-N 2.9Å; R190-Q193 PolarHBondContact O-N 2.9Å
191	R	97.4	Very high	98.1	Very high	169 Å²	169	55.3 Å²	55.3	64%	0.638	27%	0.269	S	S	*	.	H	α-helix	trans	-56.3	-31.6	174.1	176.9	177.2	172.4	176.3	-4.2	112.2	E187 K188 L189 Q193	E187-R191 WeakPolarHBondContact O-CB 3.44Å; E187-R191 PolarHBondContact O-N 3.5Å; K188-R191 WeakPolarHBondContact O-CB 3.46Å; K188-R191 PolarHBondContact O-N 3.37Å; L189-R191 PolarHBondContact O-N 3.13Å; R191-Q193 PolarHBondContact O-NE2 3.33Å
192	F	96.6	Very high	98.1	Very high	12 Å²	12	51.2 Å²	51.2	5%	0.053	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	33.2	175.9	-59.3	-66	0	0	0	113.3	K124 F126 L161 V166 D168 I175 K188 L189 R190 L194	K124-F192 PolarHBondContact NZ-O 3.14Å; F126-F192 HydrophobicContact CE1-CB 4.33Å; F126-F192 WeakPolarHBondContact CE1-O 3.45Å; L161-F192 HydrophobicContact CD2-CE1 3.81Å; V166-F192 HydrophobicContact CB-CZ 4.36Å; V166-F192 HydrophobicContact CG1-CE1 3.78Å; V166-F192 HydrophobicContact CG1-CE2 3.89Å; V166-F192 HydrophobicContact CG1-CZ 3.38Å; V166-F192 HydrophobicContact CG2-CE2 4.19Å; V166-F192 HydrophobicContact CG2-CZ 4.09Å; D168-F192 HydrophobicContact CB-CD1 3.9Å; D168-F192 HydrophobicContact CB-CE1 4.2Å; I175-F192 HydrophobicContact CD1-CD2 3.72Å; I175-F192 HydrophobicContact CD1-CE2 4.46Å; I175-F192 HydrophobicContact CG1-CD2 3.96Å; I175-F192 HydrophobicContact CG1-CE2 4.34Å; K188-F192 WeakPolarHBondContact O-CD2 3.48Å; K188-F192 PolarHBondContact O-N 3.33Å; L189-F192 CarbonylContact O-C 3.55Å; L189-F192 PolarHBondContact O-N 3.33Å; L189-F192 VanDerWaalsContact O-N 3.12Å; R190-F192 PolarHBondContact O-N 2.9Å; F192-L194 PolarHBondContact O-N 3.33Å
193	Q	96.7	Very high	98.2	Very high	116 Å²	116	50.5 Å²	50.5	54%	0.542	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	37	169.3	-55.8	74.4	41.4	0	0	114.1	Q100 L189 R190 R191 D195	Q100-Q193 PolarHBondContact NE2-O 2.85Å; L189-Q193 PolarHBondContact O-N 3.32Å; R190-Q193 PolarHBondContact O-N 2.9Å; R191-Q193 PolarHBondContact O-NE2 3.33Å; Q193-D195 PolarHBondContact O-N 2.87Å
194	L	98.4	Very high	98.2	Very high	11 Å²	11	45.8 Å²	45.8	6%	0.058	21%	0.212	C	C	.	.			trans	-61.2	132.1	159	179.4	69.5	0	0	0	109.7	I102 F126 L189 F192 F227	I102-L194 HydrophobicContact CD1-CD1 3.78Å; I102-L194 HydrophobicContact CD1-CD2 4.4Å; I102-L194 HydrophobicContact CG1-CD1 4.38Å; F126-L194 HydrophobicContact CD2-CD1 4.38Å; F126-L194 HydrophobicContact CE2-CD1 3.94Å; F126-L194 HydrophobicContact CZ-CB 4.15Å; F126-L194 HydrophobicContact CZ-CD1 4.33Å; L189-L194 HydrophobicContact CB-CB 3.99Å; L189-L194 HydrophobicContact CB-CD2 3.63Å; L189-L194 HydrophobicContact CB-CG 4.39Å; L189-L194 HydrophobicContact CD1-CD2 4.2Å; L189-L194 HydrophobicContact CG-CD2 4.44Å; L189-L194 VanDerWaalsContact O-CB 3.25Å; L189-L194 WeakPolarHBondContact O-CB 3.1Å; L189-L194 PolarHBondContact O-N 3.41Å; L189-L194 VanDerWaalsContact O-N 3.07Å; F192-L194 PolarHBondContact O-N 3.33Å; L194-F227 HydrophobicContact CD1-CE1 3.91Å; L194-F227 HydrophobicContact CD1-CZ 3.86Å; L194-F227 HydrophobicContact CD2-CE1 4.18Å; L194-F227 HydrophobicContact CD2-CZ 3.69Å; L194-F227 HydrophobicContact CG-CE1 4.18Å; L194-F227 HydrophobicContact CG-CZ 4.12Å
195	D	98.4	Very high	98.2	Very high	66 Å²	66	46.2 Å²	46.2	35%	0.353	21%	0.211	S	C	.	.			trans	-117.8	103.3	-178.5	-175.6	-7.1	0	0	0	110.1	Q100 Q193 E197 L198	Q100-D195 PolarHBondContact OE1-O 3.38Å; Q193-D195 PolarHBondContact O-N 2.87Å; D195-E197 PolarHBondContact O-N 3.44Å; D195-E197 VanDerWaalsContact O-N 3.07Å; D195-E197 WeakPolarHBondContact OD1-CB 3.39Å; D195-E197 PolarHBondContact OD1-N 3.28Å; D195-L198 HydrophobicContact CB-CD1 3.99Å; D195-L198 HydrophobicContact CB-CG 4.04Å; D195-L198 PolarHBondContact O-N 3.44Å; D195-L198 VanDerWaalsContact O-N 3.11Å
196	P	97.7	Very high	98.2	Very high	24 Å²	24	46.8 Å²	46.8	16%	0.156	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-17.3	-179.4	-20.3	30.5	0	0	0	115.2	T226	P196-T226 HydrophobicContact CB-CG2 4.16Å; P196-T226 WeakPolarHBondContact CB-O 3.27Å; P196-T226 HydrophobicContact CG-CG2 4.3Å
197	E	97.9	Very high	98.1	Very high	131 Å²	131	46 Å²	46	61%	0.612	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83	-14.8	179.9	-60.6	-59.2	122	0	0	112.6	D195	D195-E197 PolarHBondContact O-N 3.44Å; D195-E197 VanDerWaalsContact O-N 3.07Å; D195-E197 WeakPolarHBondContact OD1-CB 3.39Å; D195-E197 PolarHBondContact OD1-N 3.28Å
198	L	98.4	Very high	98.1	Very high	47 Å²	47	39.3 Å²	39.3	25%	0.246	18%	0.179	C	C	.	.	S	Bend	trans	-82.5	146.6	176	-69.2	179.9	0	0	0	112	Q100 R123 D195 T200	Q100-L198 HydrophobicContact CG-CB 4.26Å; Q100-L198 HydrophobicContact CG-CD1 3.88Å; R123-L198 HydrophobicContact CG-CD1 4.42Å; D195-L198 HydrophobicContact CB-CD1 3.99Å; D195-L198 HydrophobicContact CB-CG 4.04Å; D195-L198 PolarHBondContact O-N 3.44Å; D195-L198 VanDerWaalsContact O-N 3.11Å; L198-T200 PolarHBondContact O-N 3.07Å; L198-T200 VanDerWaalsContact O-N 3.15Å; L198-T200 PolarHBondContact O-OG1 3.37Å
199	P	98.8	Very high	98.1	Very high	11 Å²	11	35.4 Å²	35.4	7%	0.071	16%	0.163	C	C	.	.			trans	-51.7	123.4	165.7	-23.7	32.3	0	0	0	110.2	F91 T95 C99 Q100 T229 L332 L334	F91-P199 HydrophobicContact CZ-CB 4.05Å; T95-P199 HydrophobicContact CG2-CB 3.77Å; T95-P199 HydrophobicContact CG2-CG 4.31Å; C99-P199 CarbonylContact C-O 3.45Å; C99-P199 WeakPolarHBondContact CA-O 3.25Å; C99-P199 HydrophobicContact CB-CB 4.05Å; C99-P199 WeakPolarHBondContact CB-O 3.31Å; Q100-P199 PolarHBondContact N-O 3.47Å; P199-T229 VanDerWaalsContact CA-O 3.29Å; P199-T229 WeakPolarHBondContact CA-O 3.37Å; P199-T229 HydrophobicContact CB-CG2 4.12Å; P199-T229 HydrophobicContact CG-CG2 4.27Å; P199-L332 HydrophobicContact CG-CD1 3.91Å; P199-L334 HydrophobicContact CB-CD1 4.18Å; P199-L334 HydrophobicContact CG-CD1 3.8Å
200	T	98.9	Very high	98	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	125.5	-175.3	-61.3	0	0	0	0	111.3	Q100 I102 L198 L202 F227 T229 A230 M231	Q100-T200 HydrophobicContact CB-CG2 4.24Å; Q100-T200 WeakPolarHBondContact O-CA 3.36Å; I102-T200 HydrophobicContact CD1-CG2 3.85Å; I102-T200 HydrophobicContact CG1-CG2 3.98Å; L198-T200 PolarHBondContact O-N 3.07Å; L198-T200 VanDerWaalsContact O-N 3.15Å; L198-T200 PolarHBondContact O-OG1 3.37Å; T200-L202 HydrophobicContact CG2-CD1 4.18Å; T200-L202 HydrophobicContact CG2-CG 4.49Å; T200-F227 HydrophobicContact CG2-CD1 4.05Å; T200-F227 HydrophobicContact CG2-CD2 4.36Å; T200-F227 HydrophobicContact CG2-CE1 3.79Å; T200-F227 HydrophobicContact CG2-CE2 4.14Å; T200-F227 HydrophobicContact CG2-CG 4.32Å; T200-F227 HydrophobicContact CG2-CZ 3.84Å; T200-F227 WeakPolarHBondContact OG1-CD1 3.36Å; T200-F227 WeakPolarHBondContact OG1-CE1 3.43Å; T200-T229 PolarHBondContact N-O 3.24Å; T200-T229 VanDerWaalsContact N-O 3.07Å; T200-A230 WeakPolarHBondContact O-CA 3.44Å; T200-A230 VanDerWaalsContact O-CB 3.25Å; T200-A230 WeakPolarHBondContact O-CB 3.24Å; T200-M231 PolarHBondContact O-N 3.13Å
201	L	98.9	Very high	98	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	129.1	169.6	-180	153.1	0	0	0	109.7	L88 F91 Q100 V101 I102 L203 M231 I233	L88-L201 HydrophobicContact CD1-CD1 3.96Å; L88-L201 HydrophobicContact CD1-CD2 4Å; F91-L201 HydrophobicContact CB-CD1 3.55Å; F91-L201 HydrophobicContact CD1-CB 3.56Å; F91-L201 HydrophobicContact CD1-CD1 3.71Å; F91-L201 HydrophobicContact CD1-CG 4.32Å; F91-L201 HydrophobicContact CD2-CB 4.42Å; F91-L201 HydrophobicContact CD2-CD1 4.25Å; F91-L201 HydrophobicContact CE1-CB 3.47Å; F91-L201 VanDerWaalsContact CE1-CB 3.47Å; F91-L201 HydrophobicContact CE1-CD1 4.47Å; F91-L201 HydrophobicContact CE2-CB 4.36Å; F91-L201 HydrophobicContact CG-CB 4.05Å; F91-L201 HydrophobicContact CG-CD1 3.57Å; F91-L201 HydrophobicContact CG-CG 4.45Å; F91-L201 HydrophobicContact CZ-CB 3.9Å; Q100-L201 PolarHBondContact O-N 3.37Å; V101-L201 CarbonylContact C-O 3.49Å; V101-L201 VanDerWaalsContact CA-O 3.28Å; V101-L201 WeakPolarHBondContact CA-O 3.5Å; V101-L201 HydrophobicContact CG1-CD2 4.07Å; V101-L201 HydrophobicContact CG2-CB 4.42Å; I102-L201 PolarHBondContact N-O 2.9Å; L201-L203 HydrophobicContact CD2-CB 4.15Å; L201-M231 CarbonylContact C-O 3.5Å; L201-M231 VanDerWaalsContact CA-O 3.24Å; L201-M231 WeakPolarHBondContact CA-O 3.38Å; L201-M231 HydrophobicContact CD1-CB 4.49Å; L201-M231 HydrophobicContact CD1-SD 4.16Å; L201-M231 HydrophobicContact CG-CB 4.46Å; L201-I233 HydrophobicContact CD1-CD1 3.76Å; L201-I233 HydrophobicContact CD1-CG1 4.46Å; L201-I233 HydrophobicContact CD2-CD1 4.28Å; L201-I233 HydrophobicContact CG-CD1 4.31Å
202	L	98.9	Very high	97.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	135.8	170.5	-59.9	93.6	0	0	0	109	I102 L104 T200 W222 A223 F227 M231 F232 I233 W280	I102-L202 HydrophobicContact CB-CG 4.32Å; I102-L202 HydrophobicContact CD1-CD2 4.3Å; I102-L202 HydrophobicContact CD1-CG 4.37Å; I102-L202 CarbonylContact O-C 3.57Å; I102-L202 WeakPolarHBondContact O-CA 3.37Å; L104-L202 HydrophobicContact CD1-CB 4.41Å; L104-L202 HydrophobicContact CD1-CD2 4.16Å; T200-L202 HydrophobicContact CG2-CD1 4.18Å; T200-L202 HydrophobicContact CG2-CG 4.49Å; L202-W222 HydrophobicContact CD2-CZ3 3.95Å; L202-A223 HydrophobicContact CD1-CB 4.15Å; L202-A223 HydrophobicContact CD2-CB 3.54Å; L202-A223 HydrophobicContact CG-CB 4.47Å; L202-F227 HydrophobicContact CD1-CD2 4Å; L202-F227 HydrophobicContact CD1-CE2 4.21Å; L202-F227 HydrophobicContact CD2-CE2 4.3Å; L202-M231 PolarHBondContact N-O 3.24Å; L202-F232 HydrophobicContact CB-CD2 3.59Å; L202-F232 HydrophobicContact CB-CE2 3.82Å; L202-F232 HydrophobicContact CB-CG 4.18Å; L202-F232 HydrophobicContact CD1-CD2 4.44Å; L202-F232 HydrophobicContact CD2-CD2 4.34Å; L202-F232 HydrophobicContact CD2-CE2 4.23Å; L202-F232 HydrophobicContact CG-CD2 4.34Å; L202-F232 CarbonylContact O-C 3.35Å; L202-F232 WeakPolarHBondContact O-CA 3.36Å; L202-I233 PolarHBondContact O-N 3.45Å; L202-W280 HydrophobicContact CD1-CH2 4.33Å
203	L	98.9	Very high	98	Very high	3 Å²	3	27.6 Å²	27.6	2%	0.016	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	129.4	179.2	175.6	61.7	0	0	0	109.4	V84 I102 L104 L201 I233	V84-L203 HydrophobicContact CG1-CD1 3.62Å; V84-L203 HydrophobicContact CG1-CD2 3.88Å; V84-L203 HydrophobicContact CG1-CG 4.43Å; V84-L203 HydrophobicContact CG2-CD1 4.45Å; I102-L203 PolarHBondContact O-N 3.14Å; L104-L203 WeakPolarHBondContact CB-O 3.23Å; L104-L203 PolarHBondContact N-O 2.97Å; L201-L203 HydrophobicContact CD2-CB 4.15Å; L203-I233 HydrophobicContact CD1-CB 3.81Å; L203-I233 HydrophobicContact CD1-CG2 3.74Å
204	S	98.6	Very high	98	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	113.9	167.1	157.6	0	0	0	0	108.5	L208 I233 N234 Y235	S204-L208 WeakPolarHBondContact OG-CG 3.27Å; S204-I233 PolarHBondContact N-O 3.5Å; S204-N234 WeakPolarHBondContact O-CA 3.24Å; S204-N234 PolarHBondContact OG-OD1 2.65Å; S204-Y235 PolarHBondContact O-N 3.15Å
205	E	98.3	Very high	98	Very high	21 Å²	21	28 Å²	28	10%	0.098	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	88.7	-175.4	-162.2	-157.8	129.1	0	0	111.1	K44 R80 V84 Y235	K44-E205 VanDerWaalsContact CE-OE1 3.24Å; K44-E205 WeakPolarHBondContact CE-OE1 3.35Å; K44-E205 IonicContact NZ-OE1 3.88Å; K44-E205 PolarHBondContact NZ-OE1 3.04Å; K44-E205 IonicContact NZ-OE2 3.8Å; K44-E205 PolarHBondContact NZ-OE2 3.19Å; R80-E205 IonicContact CZ-OE1 3.46Å; R80-E205 IonicContact NE-OE1 2.66Å; R80-E205 PolarHBondContact NE-OE1 3.45Å; R80-E205 PolarHBondContact NH2-O 2.89Å; R80-E205 IonicContact NH2-OE1 3.56Å; R80-E205 PolarHBondContact NH2-OE1 3.32Å; V84-E205 HydrophobicContact CG2-CG 4.38Å; E205-Y235 HydrophobicContact CG-CD1 4.3Å; E205-Y235 HydrophobicContact CG-CG 4.47Å
206	C	97.5	Very high	98	Very high	12 Å²	12	24.9 Å²	24.9	8%	0.081	14%	0.139	C	C	.	.	S	Bend	trans	59.5	58.6	-166.8	-79.6	0	0	0	0	112.2	R80 Y210 Y235	R80-C206 PolarHBondContact NH1-SG 2.86Å; R80-C206 VanDerWaalsContact NH1-SG 3.45Å; C206-Y210 WeakPolarHBondContact O-CE2 3.42Å; C206-Y235 WeakPolarHBondContact CA-O 3.45Å; C206-Y235 PolarHBondContact N-O 3.43Å; C206-Y235 VanDerWaalsContact SG-CD1 3.51Å; C206-Y235 WeakPolarHBondContact SG-CE1 3.35Å
207	V	98.3	Very high	98	Very high	16 Å²	16	25.9 Å²	25.9	10%	0.097	15%	0.147	C	C	.	.			trans	-126.8	-53.9	-176	177.6	0	0	0	0	111.7	L104 L179 V209 Y210	L104-V207 WeakPolarHBondContact O-CG2 3.26Å; L179-V207 HydrophobicContact CD1-CG1 3.61Å; V207-V209 PolarHBondContact O-N 2.98Å; V207-V209 VanDerWaalsContact O-N 3.14Å; V207-Y210 PolarHBondContact O-N 2.69Å
208	L	98.3	Very high	98	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-57.3	-33.6	-175.3	-68.4	-178.5	0	0	0	113.7	S204 Y210 M211 L219 V220 F232 E236 F275	S204-L208 WeakPolarHBondContact OG-CG 3.27Å; L208-Y210 PolarHBondContact O-N 2.91Å; L208-M211 PolarHBondContact O-N 3Å; L208-M211 VanDerWaalsContact O-N 3.12Å; L208-L219 HydrophobicContact CD2-CD2 3.91Å; L208-V220 HydrophobicContact CD1-CG2 3.82Å; L208-V220 HydrophobicContact CD2-CG2 4.41Å; L208-F232 HydrophobicContact CD1-CE1 4.15Å; L208-F232 HydrophobicContact CD1-CZ 4.23Å; L208-E236 WeakPolarHBondContact CB-OE2 3.21Å; L208-F275 HydrophobicContact CD1-CZ 4.48Å
209	V	97.3	Very high	98	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-60	-22.8	176.8	73	0	0	0	0	114.6	V207 E236 L259 A260 G261	V207-V209 PolarHBondContact O-N 2.98Å; V207-V209 VanDerWaalsContact O-N 3.14Å; V209-E236 HydrophobicContact CB-CB 4.47Å; V209-E236 PolarHBondContact N-OE2 2.92Å; V209-L259 HydrophobicContact CG1-CD2 4.1Å; V209-L259 HydrophobicContact CG2-CB 4.06Å; V209-L259 HydrophobicContact CG2-CD1 4.3Å; V209-L259 HydrophobicContact CG2-CD2 3.99Å; V209-L259 HydrophobicContact CG2-CG 4.34Å; V209-L259 CarbonylContact O-C 3.55Å; V209-A260 PolarHBondContact O-N 3.35Å; V209-G261 PolarHBondContact O-N 3.47Å
210	Y	96.3	Very high	98	Very high	46 Å²	46	20 Å²	20	18%	0.18	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-83.8	-13.3	178	-59.3	-52.6	0	0	0	113.3	V33 T36 C206 V207 L208 L259	V33-Y210 HydrophobicContact CG1-CD2 4.11Å; V33-Y210 HydrophobicContact CG1-CG 4.09Å; V33-Y210 HydrophobicContact CG2-CD1 4.29Å; V33-Y210 HydrophobicContact CG2-CG 4.21Å; T36-Y210 HydrophobicContact CG2-CE1 4.1Å; T36-Y210 HydrophobicContact CG2-CE2 4.4Å; C206-Y210 WeakPolarHBondContact O-CE2 3.42Å; V207-Y210 PolarHBondContact O-N 2.69Å; L208-Y210 PolarHBondContact O-N 2.91Å; Y210-L259 HydrophobicContact CD1-CD2 3.97Å; Y210-L259 HydrophobicContact CE1-CD2 3.7Å
211	M	96.8	Very high	98	Very high	13 Å²	13	24.2 Å²	24.2	6%	0.064	14%	0.144	C	C	.	.	S	Bend	trans	-96.7	155.9	177.3	-63.7	168.4	69.1	0	0	109.8	L179 R180 L208 Q215 L219 A260 G261	L179-M211 HydrophobicContact CB-CE 4.06Å; L179-M211 HydrophobicContact CB-SD 3.97Å; L179-M211 WeakPolarHBondContact O-CE 3.4Å; R180-M211 HydrophobicContact CB-CE 4.36Å; R180-M211 HydrophobicContact CG-CE 3.77Å; R180-M211 HydrophobicContact CG-CG 4.24Å; L208-M211 PolarHBondContact O-N 3Å; L208-M211 VanDerWaalsContact O-N 3.12Å; M211-Q215 HydrophobicContact CB-CB 4.12Å; M211-Q215 HydrophobicContact CE-CB 3.84Å; M211-L219 HydrophobicContact CE-CD2 4.38Å; M211-L219 HydrophobicContact SD-CD2 4.38Å; M211-A260 CarbonylContact O-C 3.51Å; M211-G261 VanDerWaalsContact O-CA 3.27Å; M211-G261 WeakPolarHBondContact O-CA 3.35Å; M211-G261 PolarHBondContact O-N 2.93Å
212	S	97.2	Very high	98	Very high	35 Å²	35	25.4 Å²	25.4	25%	0.245	15%	0.148	C	C	.	.			trans	-61.8	157.5	173.5	82.1	0	0	0	0	110.9	A214 Q215 S216	S212-A214 PolarHBondContact O-N 3.26Å; S212-Q215 PolarHBondContact O-N 3.27Å; S212-Q215 VanDerWaalsContact O-N 3.16Å; S212-Q215 VanDerWaalsContact OG-CG 3.31Å; S212-Q215 WeakPolarHBondContact OG-CG 3.31Å; S212-Q215 PolarHBondContact OG-N 3.07Å; S212-Q215 PolarHBondContact OG-OE1 3.31Å; S212-S216 WeakPolarHBondContact O-CB 3.34Å; S212-S216 PolarHBondContact O-N 2.76Å; S212-S216 PolarHBondContact O-OG 2.88Å
213	P	97	Very high	98	Very high	27 Å²	27	25.4 Å²	25.4	18%	0.175	15%	0.148	C	C	.	.	H	α-helix	trans	-52.8	-41.4	175.9	-27.5	34.9	0	0	0	112.4	S216 S217 A260 E263 L264	P213-S216 PolarHBondContact O-OG 2.91Å; P213-S217 WeakPolarHBondContact O-CB 3.36Å; P213-S217 PolarHBondContact O-N 3.45Å; P213-S217 PolarHBondContact O-OG 2.74Å; P213-A260 WeakPolarHBondContact CD-O 3.38Å; P213-E263 HydrophobicContact CB-CG 4.34Å; P213-E263 WeakPolarHBondContact CB-OE1 3.5Å; P213-E263 HydrophobicContact CG-CG 3.42Å; P213-E263 VanDerWaalsContact CG-CG 3.42Å; P213-E263 WeakPolarHBondContact CG-OE1 3.38Å; P213-L264 HydrophobicContact CB-CD1 3.9Å; P213-L264 HydrophobicContact CB-CD2 4.34Å; P213-L264 HydrophobicContact CB-CG 4.07Å; P213-L264 HydrophobicContact CG-CG 4.42Å
214	A	97.6	Very high	98	Very high	67 Å²	67	25.4 Å²	25.4	55%	0.554	15%	0.148	S	C	*	.	H	α-helix	trans	-66	-49.4	176.9	0	0	0	0	0	112.1	S212 S216 S217 S218	S212-A214 PolarHBondContact O-N 3.26Å; A214-S216 PolarHBondContact O-N 3.49Å; A214-S217 PolarHBondContact O-N 2.92Å; A214-S218 PolarHBondContact O-N 2.63Å; A214-S218 PolarHBondContact O-OG 2.95Å; A214-S218 VanDerWaalsContact O-OG 3.08Å
215	Q	98.2	Very high	98	Very high	69 Å²	69	30.8 Å²	30.8	32%	0.322	17%	0.174	S	C	.	.	H	α-helix	trans	-61.6	-46.7	-178.5	-72.5	166.3	-24.9	0	0	111.9	R180 M211 S212 S218 L219	R180-Q215 HydrophobicContact CB-CG 4.41Å; R180-Q215 HydrophobicContact CG-CB 4.43Å; R180-Q215 HydrophobicContact CG-CG 4.32Å; M211-Q215 HydrophobicContact CB-CB 4.12Å; M211-Q215 HydrophobicContact CE-CB 3.84Å; S212-Q215 PolarHBondContact O-N 3.27Å; S212-Q215 VanDerWaalsContact O-N 3.16Å; S212-Q215 VanDerWaalsContact OG-CG 3.31Å; S212-Q215 WeakPolarHBondContact OG-CG 3.31Å; S212-Q215 PolarHBondContact OG-N 3.07Å; S212-Q215 PolarHBondContact OG-OE1 3.31Å; Q215-S218 WeakPolarHBondContact O-CB 3.49Å; Q215-S218 PolarHBondContact O-N 2.82Å; Q215-L219 PolarHBondContact O-N 3.25Å; Q215-L219 VanDerWaalsContact O-N 3.14Å
216	S	98.3	Very high	98	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-69.9	-34.8	-179.5	62.6	0	0	0	0	112.5	S212 P213 A214 L219 V220 R274	S212-S216 WeakPolarHBondContact O-CB 3.34Å; S212-S216 PolarHBondContact O-N 2.76Å; S212-S216 PolarHBondContact O-OG 2.88Å; P213-S216 PolarHBondContact O-OG 2.91Å; A214-S216 PolarHBondContact O-N 3.49Å; S216-L219 PolarHBondContact O-N 3.34Å; S216-V220 WeakPolarHBondContact O-CG2 3.49Å; S216-V220 PolarHBondContact O-N 3.1Å; S216-R274 PolarHBondContact OG-NH2 3.24Å
217	S	97.7	Very high	98.1	Very high	45 Å²	45	30 Å²	30	32%	0.315	17%	0.17	S	C	.	.	H	α-helix	trans	-65.3	-39.8	172.1	-60.7	0	0	0	0	111.8	P213 A214 L219 V220 H221	P213-S217 WeakPolarHBondContact O-CB 3.36Å; P213-S217 PolarHBondContact O-N 3.45Å; P213-S217 PolarHBondContact O-OG 2.74Å; A214-S217 PolarHBondContact O-N 2.92Å; S217-L219 VanDerWaalsContact C-N 3.32Å; S217-L219 PolarHBondContact O-N 3.34Å; S217-V220 PolarHBondContact O-N 3.27Å; S217-H221 VanDerWaalsContact O-CB 3.23Å; S217-H221 WeakPolarHBondContact O-CB 3.33Å; S217-H221 PolarHBondContact O-N 2.89Å
218	S	98.5	Very high	98	Very high	65 Å²	65	32.6 Å²	32.6	46%	0.455	18%	0.181	S	C	.	.	H	α-helix	trans	-60	-41.4	174.4	-65.1	0	0	0	0	112.2	A214 Q215 H221 W222	A214-S218 PolarHBondContact O-N 2.63Å; A214-S218 PolarHBondContact O-OG 2.95Å; A214-S218 VanDerWaalsContact O-OG 3.08Å; Q215-S218 WeakPolarHBondContact O-CB 3.49Å; Q215-S218 PolarHBondContact O-N 2.82Å; S218-H221 PolarHBondContact O-N 2.76Å; S218-W222 WeakPolarHBondContact O-CB 3.43Å; S218-W222 PolarHBondContact O-N 2.8Å
219	L	98.8	Very high	98	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-65.6	-46.8	177.1	-177.6	63.8	0	0	0	112.1	L104 L179 V182 L185 L208 M211 Q215 S216 S217 H221 W222 A223	L104-L219 HydrophobicContact CD1-CD2 4.16Å; L104-L219 HydrophobicContact CD1-CG 4.46Å; L179-L219 HydrophobicContact CB-CD2 4.12Å; L179-L219 HydrophobicContact CD1-CD2 4.39Å; V182-L219 HydrophobicContact CG2-CB 4.29Å; V182-L219 HydrophobicContact CG2-CD1 4.26Å; L185-L219 HydrophobicContact CD2-CD1 3.6Å; L208-L219 HydrophobicContact CD2-CD2 3.91Å; M211-L219 HydrophobicContact CE-CD2 4.38Å; M211-L219 HydrophobicContact SD-CD2 4.38Å; Q215-L219 PolarHBondContact O-N 3.25Å; Q215-L219 VanDerWaalsContact O-N 3.14Å; S216-L219 PolarHBondContact O-N 3.34Å; S217-L219 VanDerWaalsContact C-N 3.32Å; S217-L219 PolarHBondContact O-N 3.34Å; L219-H221 VanDerWaalsContact C-N 3.3Å; L219-H221 PolarHBondContact O-N 3.34Å; L219-W222 HydrophobicContact CD1-CE3 3.87Å; L219-W222 HydrophobicContact CD1-CZ3 4.16Å; L219-W222 PolarHBondContact O-N 3.16Å; L219-A223 PolarHBondContact O-N 2.89Å; L219-A223 VanDerWaalsContact O-N 3.11Å
220	V	98.8	Very high	98.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-64.5	-36.6	178	176.3	0	0	0	0	111.3	L208 S216 S217 A224 F232 F275 A278 W280	L208-V220 HydrophobicContact CD1-CG2 3.82Å; L208-V220 HydrophobicContact CD2-CG2 4.41Å; S216-V220 WeakPolarHBondContact O-CG2 3.49Å; S216-V220 PolarHBondContact O-N 3.1Å; S217-V220 PolarHBondContact O-N 3.27Å; V220-A224 PolarHBondContact O-N 2.65Å; V220-F232 HydrophobicContact CG2-CE2 4.41Å; V220-F232 HydrophobicContact CG2-CZ 4.3Å; V220-F275 HydrophobicContact CB-CE1 4.48Å; V220-F275 HydrophobicContact CG1-CD1 3.44Å; V220-F275 VanDerWaalsContact CG1-CD1 3.44Å; V220-F275 HydrophobicContact CG1-CE1 3.52Å; V220-F275 HydrophobicContact CG1-CG 4.28Å; V220-F275 HydrophobicContact CG1-CZ 4.43Å; V220-F275 HydrophobicContact CG2-CE1 4.05Å; V220-F275 HydrophobicContact CG2-CZ 4.35Å; V220-A278 HydrophobicContact CB-CB 4.24Å; V220-A278 HydrophobicContact CG1-CB 3.64Å; V220-W280 PolarHBondContact O-NE1 3.16Å
221	H	98.7	Very high	98.2	Very high	89 Å²	89	30.7 Å²	30.7	41%	0.412	17%	0.174	S	C	.	.	H	α-helix	trans	-67.9	-45.7	175.7	-179.3	64.3	0	0	0	112.1	S217 S218 L219 A223 A224 Q225 A278	S217-H221 VanDerWaalsContact O-CB 3.23Å; S217-H221 WeakPolarHBondContact O-CB 3.33Å; S217-H221 PolarHBondContact O-N 2.89Å; S218-H221 PolarHBondContact O-N 2.76Å; L219-H221 VanDerWaalsContact C-N 3.3Å; L219-H221 PolarHBondContact O-N 3.34Å; H221-A223 VanDerWaalsContact C-N 3.28Å; H221-A223 PolarHBondContact O-N 3.27Å; H221-A224 WeakPolarHBondContact O-CB 3.44Å; H221-A224 PolarHBondContact O-N 3.3Å; H221-A224 VanDerWaalsContact O-N 3.09Å; H221-Q225 PolarHBondContact CE1-NE2 2.99Å; H221-Q225 WeakPolarHBondContact O-CG 3.32Å; H221-Q225 PolarHBondContact O-N 3.49Å; H221-A278 HydrophobicContact CB-CB 4.27Å; H221-A278 PolarHBondContact ND1-O 2.82Å
222	W	98.8	Very high	98.3	Very high	25 Å²	25	30.1 Å²	30.1	10%	0.095	17%	0.171	C	C	.	.	H	α-helix	trans	-55.6	-44.3	175.2	159.3	81.6	0	0	0	111.9	V182 L185 D186 L189 L202 S218 L219 A224 Q225 T226 F227	V182-W222 HydrophobicContact CG1-CB 3.4Å; V182-W222 VanDerWaalsContact CG1-CB 3.4Å; V182-W222 HydrophobicContact CG1-CD2 4.02Å; V182-W222 HydrophobicContact CG1-CG 3.38Å; L185-W222 HydrophobicContact CD2-CH2 4.44Å; L185-W222 HydrophobicContact CD2-CZ3 4.29Å; D186-W222 HydrophobicContact CB-CZ2 4.26Å; D186-W222 PolarHBondContact OD1-NE1 3.19Å; L189-W222 HydrophobicContact CD1-CH2 3.64Å; L189-W222 HydrophobicContact CD1-CZ2 4Å; L202-W222 HydrophobicContact CD2-CZ3 3.95Å; S218-W222 WeakPolarHBondContact O-CB 3.43Å; S218-W222 PolarHBondContact O-N 2.8Å; L219-W222 HydrophobicContact CD1-CE3 3.87Å; L219-W222 HydrophobicContact CD1-CZ3 4.16Å; L219-W222 PolarHBondContact O-N 3.16Å; W222-A224 VanDerWaalsContact C-N 3.34Å; W222-A224 PolarHBondContact O-N 2.92Å; W222-Q225 PolarHBondContact O-N 3.28Å; W222-T226 PolarHBondContact NE1-OG1 3.08Å; W222-T226 VanDerWaalsContact O-CB 3.28Å; W222-T226 WeakPolarHBondContact O-CB 3.46Å; W222-T226 PolarHBondContact O-N 3.25Å; W222-T226 PolarHBondContact O-OG1 3.15Å; W222-F227 HydrophobicContact CH2-CE2 4.31Å
223	A	98.8	Very high	98.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-59.7	-44.7	176.5	0	0	0	0	0	111.6	L202 L219 H221 Q225 T226 F227 F232 W280	L202-A223 HydrophobicContact CD1-CB 4.15Å; L202-A223 HydrophobicContact CD2-CB 3.54Å; L202-A223 HydrophobicContact CG-CB 4.47Å; L219-A223 PolarHBondContact O-N 2.89Å; L219-A223 VanDerWaalsContact O-N 3.11Å; H221-A223 VanDerWaalsContact C-N 3.28Å; H221-A223 PolarHBondContact O-N 3.27Å; A223-Q225 VanDerWaalsContact C-N 3.34Å; A223-Q225 PolarHBondContact O-N 3.39Å; A223-T226 PolarHBondContact O-N 2.84Å; A223-F227 WeakPolarHBondContact O-CD2 3.44Å; A223-F227 PolarHBondContact O-N 2.87Å; A223-F227 VanDerWaalsContact O-N 3.13Å; A223-F232 HydrophobicContact CB-CD2 4.31Å; A223-F232 HydrophobicContact CB-CE2 4.42Å; A223-W280 HydrophobicContact CB-CZ2 3.96Å
224	A	98.6	Very high	98.5	Very high	3 Å²	3	27.1 Å²	27.1	3%	0.025	15%	0.151	C	C	.	.	H	α-helix	trans	-64.2	-34.1	177.7	0	0	0	0	0	113.9	V220 H221 W222 A278 W280 K329	V220-A224 PolarHBondContact O-N 2.65Å; H221-A224 WeakPolarHBondContact O-CB 3.44Å; H221-A224 PolarHBondContact O-N 3.3Å; H221-A224 VanDerWaalsContact O-N 3.09Å; W222-A224 VanDerWaalsContact C-N 3.34Å; W222-A224 PolarHBondContact O-N 2.92Å; A224-A278 WeakPolarHBondContact CB-O 3.41Å; A224-W280 HydrophobicContact CB-CG 4.41Å; A224-K329 HydrophobicContact CB-CD 4.2Å; A224-K329 WeakPolarHBondContact O-CE 3.43Å
225	Q	98.4	Very high	98.5	Very high	113 Å²	113	24.4 Å²	24.4	53%	0.528	13%	0.126	S	C	.	.	H	α-helix	trans	-79.1	-31	177.7	-65.9	-53.3	-60.4	0	0	112.6	H221 W222 A223	H221-Q225 PolarHBondContact CE1-NE2 2.99Å; H221-Q225 WeakPolarHBondContact O-CG 3.32Å; H221-Q225 PolarHBondContact O-N 3.49Å; W222-Q225 PolarHBondContact O-N 3.28Å; A223-Q225 VanDerWaalsContact C-N 3.34Å; A223-Q225 PolarHBondContact O-N 3.39Å
226	T	98.6	Very high	98.5	Very high	16 Å²	16	21.1 Å²	21.1	10%	0.098	11%	0.111	C	C	.	.	H	α-helix	trans	-79.5	-43.1	-175	-59.3	0	0	0	0	111.5	P196 W222 A223	P196-T226 HydrophobicContact CB-CG2 4.16Å; P196-T226 WeakPolarHBondContact CB-O 3.27Å; P196-T226 HydrophobicContact CG-CG2 4.3Å; W222-T226 PolarHBondContact NE1-OG1 3.08Å; W222-T226 VanDerWaalsContact O-CB 3.28Å; W222-T226 WeakPolarHBondContact O-CB 3.46Å; W222-T226 PolarHBondContact O-N 3.25Å; W222-T226 PolarHBondContact O-OG1 3.15Å; A223-T226 PolarHBondContact O-N 2.84Å
227	F	98.6	Very high	98.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.112	C	C	.	.			trans	-112.6	120.2	-171.8	-53.5	-76	0	0	0	111.7	I102 L194 T200 L202 W222 A223 A230	I102-F227 HydrophobicContact CD1-CE2 4.05Å; I102-F227 HydrophobicContact CD1-CZ 3.7Å; L194-F227 HydrophobicContact CD1-CE1 3.91Å; L194-F227 HydrophobicContact CD1-CZ 3.86Å; L194-F227 HydrophobicContact CD2-CE1 4.18Å; L194-F227 HydrophobicContact CD2-CZ 3.69Å; L194-F227 HydrophobicContact CG-CE1 4.18Å; L194-F227 HydrophobicContact CG-CZ 4.12Å; T200-F227 HydrophobicContact CG2-CD1 4.05Å; T200-F227 HydrophobicContact CG2-CD2 4.36Å; T200-F227 HydrophobicContact CG2-CE1 3.79Å; T200-F227 HydrophobicContact CG2-CE2 4.14Å; T200-F227 HydrophobicContact CG2-CG 4.32Å; T200-F227 HydrophobicContact CG2-CZ 3.84Å; T200-F227 WeakPolarHBondContact OG1-CD1 3.36Å; T200-F227 WeakPolarHBondContact OG1-CE1 3.43Å; L202-F227 HydrophobicContact CD1-CD2 4Å; L202-F227 HydrophobicContact CD1-CE2 4.21Å; L202-F227 HydrophobicContact CD2-CE2 4.3Å; W222-F227 HydrophobicContact CH2-CE2 4.31Å; A223-F227 WeakPolarHBondContact O-CD2 3.44Å; A223-F227 PolarHBondContact O-N 2.87Å; A223-F227 VanDerWaalsContact O-N 3.13Å; F227-A230 HydrophobicContact CB-CB 3.67Å
228	H	96.8	Very high	98.6	Very high	72 Å²	72	19.1 Å²	19.1	33%	0.333	10%	0.097	S	C	.	.	S	Bend	trans	-83.4	-20.4	-178.8	-59.2	96.5	0	0	0	113.6	R331	H228-R331 HydrophobicContact CB-CB 3.89Å; H228-R331 HydrophobicContact CB-CG 4.38Å; H228-R331 WeakPolarHBondContact O-CB 3.46Å; H228-R331 PolarHBondContact O-N 3.27Å
229	T	98.6	Very high	98.6	Very high	6 Å²	6	18.6 Å²	18.6	4%	0.037	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	106.2	170.6	-58.7	0	0	0	0	107.3	P199 T200 K329 R331 L332 L334 L336	P199-T229 VanDerWaalsContact CA-O 3.29Å; P199-T229 WeakPolarHBondContact CA-O 3.37Å; P199-T229 HydrophobicContact CB-CG2 4.12Å; P199-T229 HydrophobicContact CG-CG2 4.27Å; T200-T229 PolarHBondContact N-O 3.24Å; T200-T229 VanDerWaalsContact N-O 3.07Å; T229-K329 CarbonylContact C-O 3.52Å; T229-K329 WeakPolarHBondContact CA-O 3.47Å; T229-R331 PolarHBondContact OG1-N 3.49Å; T229-L332 HydrophobicContact CG2-CB 4.07Å; T229-L332 HydrophobicContact CG2-CD1 4.15Å; T229-L332 HydrophobicContact CG2-CG 4.37Å; T229-L332 WeakPolarHBondContact OG1-CB 3.02Å; T229-L332 VanDerWaalsContact OG1-CG 3.23Å; T229-L332 WeakPolarHBondContact OG1-CG 3.38Å; T229-L332 PolarHBondContact OG1-N 2.94Å; T229-L334 HydrophobicContact CG2-CD1 3.88Å; T229-L334 HydrophobicContact CG2-CG 4.38Å; T229-L336 HydrophobicContact CG2-CD1 3.79Å
230	A	98.8	Very high	98.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	158.3	-171.4	0	0	0	0	0	113	T200 F227 W280 T328 K329	T200-A230 WeakPolarHBondContact O-CA 3.44Å; T200-A230 VanDerWaalsContact O-CB 3.25Å; T200-A230 WeakPolarHBondContact O-CB 3.24Å; F227-A230 HydrophobicContact CB-CB 3.67Å; A230-W280 HydrophobicContact CB-CH2 3.81Å; A230-W280 HydrophobicContact CB-CZ3 3.92Å; A230-T328 WeakPolarHBondContact O-CA 3.33Å; A230-K329 PolarHBondContact N-O 3.43Å; A230-K329 PolarHBondContact O-N 3.45Å; A230-K329 VanDerWaalsContact O-O 3.08Å
231	M	98.8	Very high	98.3	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	135.6	168.1	-176.8	175.6	-177.8	0	0	108.9	L87 F91 T200 L201 L202 I233 W326 A327 T328 L339	L87-M231 HydrophobicContact CB-CE 3.9Å; L87-M231 HydrophobicContact CD1-CE 4.27Å; L87-M231 HydrophobicContact CD2-CE 3.98Å; L87-M231 HydrophobicContact CG-CE 4.28Å; F91-M231 HydrophobicContact CB-SD 4.06Å; F91-M231 HydrophobicContact CD2-CB 3.71Å; F91-M231 HydrophobicContact CD2-CG 4.49Å; F91-M231 HydrophobicContact CD2-SD 3.94Å; F91-M231 HydrophobicContact CE2-CB 3.81Å; F91-M231 HydrophobicContact CG-SD 4.36Å; T200-M231 PolarHBondContact O-N 3.13Å; L201-M231 CarbonylContact C-O 3.5Å; L201-M231 VanDerWaalsContact CA-O 3.24Å; L201-M231 WeakPolarHBondContact CA-O 3.38Å; L201-M231 HydrophobicContact CD1-CB 4.49Å; L201-M231 HydrophobicContact CD1-SD 4.16Å; L201-M231 HydrophobicContact CG-CB 4.46Å; L202-M231 PolarHBondContact N-O 3.24Å; M231-I233 HydrophobicContact CE-CD1 4.21Å; M231-I233 HydrophobicContact CE-CG1 3.92Å; M231-I233 HydrophobicContact CG-CG1 4.42Å; M231-W326 HydrophobicContact CE-CB 3.72Å; M231-W326 HydrophobicContact CE-CG 3.85Å; M231-A327 CarbonylContact C-O 3.51Å; M231-A327 VanDerWaalsContact CA-O 3.27Å; M231-A327 WeakPolarHBondContact CA-O 3.34Å; M231-T328 HydrophobicContact CB-CG2 4.38Å; M231-T328 HydrophobicContact CG-CG2 4.13Å; M231-L339 HydrophobicContact SD-CD1 3.73Å
232	F	98.9	Very high	98.1	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	126.1	170.5	-158.3	-70.6	0	0	0	108.6	L104 L202 L208 V220 A223 N234 F275 W280 W326 A327	L104-F232 HydrophobicContact CD1-CE2 4.01Å; L104-F232 HydrophobicContact CD1-CZ 3.96Å; L202-F232 HydrophobicContact CB-CD2 3.59Å; L202-F232 HydrophobicContact CB-CE2 3.82Å; L202-F232 HydrophobicContact CB-CG 4.18Å; L202-F232 HydrophobicContact CD1-CD2 4.44Å; L202-F232 HydrophobicContact CD2-CD2 4.34Å; L202-F232 HydrophobicContact CD2-CE2 4.23Å; L202-F232 HydrophobicContact CG-CD2 4.34Å; L202-F232 CarbonylContact O-C 3.35Å; L202-F232 WeakPolarHBondContact O-CA 3.36Å; L208-F232 HydrophobicContact CD1-CE1 4.15Å; L208-F232 HydrophobicContact CD1-CZ 4.23Å; V220-F232 HydrophobicContact CG2-CE2 4.41Å; V220-F232 HydrophobicContact CG2-CZ 4.3Å; A223-F232 HydrophobicContact CB-CD2 4.31Å; A223-F232 HydrophobicContact CB-CE2 4.42Å; F232-N234 HydrophobicContact CD1-CB 4.24Å; F232-N234 HydrophobicContact CE1-CB 4.11Å; F232-F275 HydrophobicContact CB-CD1 4.29Å; F232-F275 HydrophobicContact CB-CE1 3.77Å; F232-F275 AromaticContact CD1-CE1 3.35Å; F232-F275 HydrophobicContact CD1-CE1 3.35Å; F232-F275 AromaticContact CD1-CZ 3.54Å; F232-F275 HydrophobicContact CD1-CZ 3.54Å; F232-F275 HydrophobicContact CD2-CE1 4.1Å; F232-F275 AromaticContact CE1-CE1 3.89Å; F232-F275 HydrophobicContact CE1-CE1 3.89Å; F232-F275 AromaticContact CE1-CZ 3.84Å; F232-F275 HydrophobicContact CE1-CZ 3.84Å; F232-F275 HydrophobicContact CG-CD1 4.4Å; F232-F275 AromaticContact CG-CE1 3.48Å; F232-F275 HydrophobicContact CG-CE1 3.48Å; F232-F275 VanDerWaalsContact CG-CE1 3.48Å; F232-F275 HydrophobicContact CG-CZ 4.16Å; F232-F275 HydrophobicContact CZ-CE1 4.48Å; F232-W280 HydrophobicContact CB-CE3 4.49Å; F232-W280 HydrophobicContact CB-CH2 3.55Å; F232-W280 HydrophobicContact CB-CZ2 3.62Å; F232-W280 HydrophobicContact CB-CZ3 3.99Å; F232-W280 HydrophobicContact CD2-CH2 4.28Å; F232-W280 AromaticContact CD2-CZ2 3.77Å; F232-W280 HydrophobicContact CD2-CZ2 3.77Å; F232-W280 HydrophobicContact CG-CH2 4.43Å; F232-W280 HydrophobicContact CG-CZ2 4.15Å; F232-W326 CarbonylContact O-C 3.41Å; F232-W326 WeakPolarHBondContact O-CA 3.32Å; F232-A327 PolarHBondContact N-O 3.12Å; F232-A327 PolarHBondContact O-N 3.03Å
233	I	98.9	Very high	98	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	125.4	171.6	-60	170.9	0	0	0	108	V84 L87 L201 L202 L203 S204 M231 I324 W326	V84-I233 HydrophobicContact CG2-CG2 4.45Å; L87-I233 HydrophobicContact CB-CD1 3.49Å; L87-I233 VanDerWaalsContact CB-CD1 3.49Å; L87-I233 HydrophobicContact CB-CG1 4.21Å; L87-I233 HydrophobicContact CD1-CD1 4.32Å; L87-I233 HydrophobicContact CD1-CG1 4.23Å; L87-I233 HydrophobicContact CD1-CG2 4.25Å; L201-I233 HydrophobicContact CD1-CD1 3.76Å; L201-I233 HydrophobicContact CD1-CG1 4.46Å; L201-I233 HydrophobicContact CD2-CD1 4.28Å; L201-I233 HydrophobicContact CG-CD1 4.31Å; L202-I233 PolarHBondContact O-N 3.45Å; L203-I233 HydrophobicContact CD1-CB 3.81Å; L203-I233 HydrophobicContact CD1-CG2 3.74Å; S204-I233 PolarHBondContact N-O 3.5Å; M231-I233 HydrophobicContact CE-CD1 4.21Å; M231-I233 HydrophobicContact CE-CG1 3.92Å; M231-I233 HydrophobicContact CG-CG1 4.42Å; I233-I324 HydrophobicContact CG2-CG2 4.22Å; I233-W326 HydrophobicContact CG1-CB 4.46Å
234	N	98.9	Very high	97.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	115.4	175.3	-173.7	44.9	0	0	0	110.3	S204 F232 E236 F275 I324 C325	S204-N234 WeakPolarHBondContact O-CA 3.24Å; S204-N234 PolarHBondContact OG-OD1 2.65Å; F232-N234 HydrophobicContact CD1-CB 4.24Å; F232-N234 HydrophobicContact CE1-CB 4.11Å; N234-E236 VanDerWaalsContact ND2-CD 3.25Å; N234-E236 WeakPolarHBondContact ND2-CG 3.04Å; N234-E236 PolarHBondContact ND2-OE1 3.11Å; N234-F275 HydrophobicContact CB-CE2 4.04Å; N234-F275 HydrophobicContact CB-CZ 3.76Å; N234-I324 WeakPolarHBondContact O-CA 3.33Å; N234-C325 HydrophobicContact CB-CB 4.46Å; N234-C325 PolarHBondContact N-O 3.49Å; N234-C325 PolarHBondContact O-N 3.33Å
235	Y	98.8	Very high	97.7	Very high	9 Å²	9	31.5 Å²	31.5	4%	0.035	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	120.3	167.6	172.6	-84.4	0	0	0	108.5	R80 S204 E205 C206 M288 Y322 C323 I324	R80-Y235 HydrophobicContact CB-CD2 4.26Å; R80-Y235 HydrophobicContact CB-CE1 4.41Å; R80-Y235 HydrophobicContact CB-CE2 3.61Å; R80-Y235 HydrophobicContact CG-CD1 3.97Å; R80-Y235 HydrophobicContact CG-CD2 3.89Å; R80-Y235 HydrophobicContact CG-CE1 3.72Å; R80-Y235 HydrophobicContact CG-CE2 3.6Å; R80-Y235 HydrophobicContact CG-CG 4.08Å; S204-Y235 PolarHBondContact O-N 3.15Å; E205-Y235 HydrophobicContact CG-CD1 4.3Å; E205-Y235 HydrophobicContact CG-CG 4.47Å; C206-Y235 WeakPolarHBondContact CA-O 3.45Å; C206-Y235 PolarHBondContact N-O 3.43Å; C206-Y235 VanDerWaalsContact SG-CD1 3.51Å; C206-Y235 WeakPolarHBondContact SG-CE1 3.35Å; Y235-M288 HydrophobicContact CD2-CE 4.38Å; Y235-M288 HydrophobicContact CD2-CG 4.49Å; Y235-M288 HydrophobicContact CD2-SD 3.84Å; Y235-M288 HydrophobicContact CE2-CE 3.9Å; Y235-M288 HydrophobicContact CE2-CG 3.72Å; Y235-M288 HydrophobicContact CE2-SD 3.55Å; Y235-M288 VanDerWaalsContact CE2-SD 3.55Å; Y235-Y322 AromaticContact CE1-CD1 3.65Å; Y235-Y322 HydrophobicContact CE1-CD1 3.65Å; Y235-Y322 HydrophobicContact CE1-CE1 4.04Å; Y235-Y322 HydrophobicContact CE2-CD1 4.46Å; Y235-Y322 AromaticContact CZ-CD1 3.55Å; Y235-Y322 AromaticContact CZ-CG 4Å; Y235-Y322 VanDerWaalsContact OH-CD1 3.27Å; Y235-Y322 WeakPolarHBondContact OH-CD1 3.49Å; Y235-C323 WeakPolarHBondContact CA-O 3.41Å; Y235-I324 HydrophobicContact CD2-CD1 4.23Å; Y235-I324 HydrophobicContact CD2-CG1 3.65Å; Y235-I324 HydrophobicContact CG-CG1 4.43Å
236	E	98.5	Very high	97.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	-169.5	172.2	66.5	-175.8	-167	0	0	111	L208 V209 N234 Q271 R274 Y322 C323	L208-E236 WeakPolarHBondContact CB-OE2 3.21Å; V209-E236 HydrophobicContact CB-CB 4.47Å; V209-E236 PolarHBondContact N-OE2 2.92Å; N234-E236 VanDerWaalsContact ND2-CD 3.25Å; N234-E236 WeakPolarHBondContact ND2-CG 3.04Å; N234-E236 PolarHBondContact ND2-OE1 3.11Å; E236-Q271 PolarHBondContact OE1-NE2 3.21Å; E236-Q271 PolarHBondContact OE1-OE1 3.41Å; E236-R274 IonicContact OE1-NH1 2.72Å; E236-R274 PolarHBondContact OE1-NH1 2.96Å; E236-R274 IonicContact OE2-NH1 2.75Å; E236-Y322 CarbonylContact O-C 3.23Å; E236-Y322 WeakPolarHBondContact O-CA 3.47Å; E236-C323 PolarHBondContact N-O 3.26Å; E236-C323 PolarHBondContact O-N 3.24Å
237	Q	98.4	Very high	97.3	Very high	4 Å²	4	31.6 Å²	31.6	2%	0.019	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	155.7	179.1	-67.3	80.5	5.6	0	0	113.2	M240 M248 C265 Q271 H321 Y322	Q237-M240 HydrophobicContact CB-CG 3.81Å; Q237-M240 HydrophobicContact CB-SD 3.67Å; Q237-M240 HydrophobicContact CG-SD 4.02Å; Q237-M248 HydrophobicContact CG-CE 3.67Å; Q237-M248 HydrophobicContact CG-SD 4.16Å; Q237-C265 HydrophobicContact CB-CB 4.37Å; Q237-C265 WeakPolarHBondContact O-CB 3.4Å; Q237-C265 PolarHBondContact O-SG 3Å; Q237-Q271 PolarHBondContact O-NE2 2.87Å; Q237-H321 VanDerWaalsContact CA-O 3.27Å; Q237-H321 WeakPolarHBondContact CA-O 3.33Å; Q237-Y322 HydrophobicContact CG-CD1 4.24Å; Q237-Y322 HydrophobicContact CG-CE1 3.85Å; Q237-Y322 PolarHBondContact NE2-OH 2.94Å
238	V	98.6	Very high	97.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.161	C	C	.	.			trans	-146.9	166.2	172.6	72.7	0	0	0	0	109.7	M240 C265 L268 Q271 H321 C323	V238-M240 PolarHBondContact O-N 3.34Å; V238-C265 CarbonylContact C-O 3.49Å; V238-L268 HydrophobicContact CG2-CD2 4.04Å; V238-L268 HydrophobicContact CG2-CG 4.26Å; V238-Q271 HydrophobicContact CG2-CG 4.48Å; V238-H321 PolarHBondContact N-O 3.31Å; V238-H321 CarbonylContact O-C 3.56Å; V238-H321 WeakPolarHBondContact O-CA 3.45Å; V238-C323 HydrophobicContact CB-CB 3.96Å; V238-C323 HydrophobicContact CG1-CB 3.86Å; V238-C323 HydrophobicContact CG2-CB 4.47Å
239	N	97.9	Very high	97	Very high	53 Å²	53	30.2 Å²	30.2	28%	0.283	15%	0.15	S	C	.	.			trans	59.9	29.9	177.5	-58.2	-32.6	0	0	0	113.3	S241 C265 Q266 Q320 H321	N239-S241 PolarHBondContact O-N 2.95Å; N239-C265 PolarHBondContact N-O 2.84Å; N239-C265 VanDerWaalsContact N-O 3.11Å; N239-Q266 WeakPolarHBondContact CA-O 3.27Å; N239-Q266 PolarHBondContact N-O 2.89Å; N239-Q320 PolarHBondContact ND2-O 3.14Å; N239-H321 PolarHBondContact O-CD2 3.19Å; N239-H321 PolarHBondContact O-NE2 2.94Å
240	M	97.3	Very high	96.7	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.02	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-0.3	-171.4	-66	-59.6	-66.5	0	0	115	Q237 V238 G245 Q246 M248 I249 L259 V262 C265	Q237-M240 HydrophobicContact CB-CG 3.81Å; Q237-M240 HydrophobicContact CB-SD 3.67Å; Q237-M240 HydrophobicContact CG-SD 4.02Å; V238-M240 PolarHBondContact O-N 3.34Å; M240-G245 WeakPolarHBondContact CE-O 3.46Å; M240-Q246 PolarHBondContact O-NE2 3.19Å; M240-Q246 VanDerWaalsContact O-NE2 3.13Å; M240-M248 HydrophobicContact CE-CB 4.14Å; M240-M248 HydrophobicContact CE-CG 4.18Å; M240-M248 HydrophobicContact CE-SD 3.87Å; M240-M248 HydrophobicContact SD-SD 3.93Å; M240-I249 HydrophobicContact CE-CD1 3.95Å; M240-I249 HydrophobicContact CE-CG1 3.5Å; M240-L259 HydrophobicContact CE-CD1 4.41Å; M240-V262 HydrophobicContact CB-CG2 3.88Å; M240-V262 HydrophobicContact CE-CG2 4.16Å; M240-V262 HydrophobicContact CG-CG2 4.04Å; M240-C265 HydrophobicContact CB-CB 4.24Å; M240-C265 WeakPolarHBondContact CB-O 3.33Å; M240-C265 HydrophobicContact CG-CB 3.67Å; M240-C265 PolarHBondContact N-O 3.47Å
241	S	94.8	Very high	96.2	Very high	81 Å²	81	36.1 Å²	36.1	57%	0.566	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-15.2	-178.7	-56.9	0	0	0	0	113.9	N239	N239-S241 PolarHBondContact O-N 2.95Å
242	D	95.4	Very high	95.7	Very high	76 Å²	76	37.9 Å²	37.9	41%	0.406	19%	0.189	S	C	.	.	S	Bend	trans	-83.8	-178.8	-178.1	87.6	3.5	0	0	0	113	F244 G245 Q246 H321	D242-F244 VanDerWaalsContact C-N 3.34Å; D242-F244 PolarHBondContact O-N 3.15Å; D242-F244 WeakPolarHBondContact OD1-CA 3.38Å; D242-F244 WeakPolarHBondContact OD1-CB 3.35Å; D242-F244 PolarHBondContact OD1-N 2.95Å; D242-G245 PolarHBondContact O-N 3.42Å; D242-G245 PolarHBondContact OD1-N 3.29Å; D242-Q246 WeakPolarHBondContact O-CG 3.4Å; D242-Q246 PolarHBondContact O-N 3.08Å; D242-H321 VanDerWaalsContact CG-NE2 3.29Å; D242-H321 IonicContact OD1-CE1 2.75Å; D242-H321 IonicContact OD1-NE2 3.37Å; D242-H321 PolarHBondContact OD1-NE2 3.31Å; D242-H321 IonicContact OD2-CE1 3.59Å; D242-H321 PolarHBondContact OD2-CE1 3.32Å; D242-H321 IonicContact OD2-NE2 3.32Å; D242-H321 PolarHBondContact OD2-NE2 3.25Å
243	R	95.8	Very high	95.2	Very high	177 Å²	177	43.3 Å²	43.3	67%	0.668	21%	0.214	S	C	*	.	H	α-helix	trans	-63.4	-36.8	-178.6	-176.1	57.4	178	152.5	1.8	113.1	V247	R243-V247 WeakPolarHBondContact O-CG2 3.24Å; R243-V247 PolarHBondContact O-N 2.78Å; R243-V247 VanDerWaalsContact O-N 3.14Å
244	F	95.2	Very high	94.7	Very high	51 Å²	51	51.6 Å²	51.6	22%	0.224	25%	0.245	C	C	.	.	H	α-helix	trans	-69.2	-45.9	178.6	-178.9	-82.8	0	0	0	110.2	D242 Q246 V247 M248 Q317 H321	D242-F244 VanDerWaalsContact C-N 3.34Å; D242-F244 PolarHBondContact O-N 3.15Å; D242-F244 WeakPolarHBondContact OD1-CA 3.38Å; D242-F244 WeakPolarHBondContact OD1-CB 3.35Å; D242-F244 PolarHBondContact OD1-N 2.95Å; F244-Q246 VanDerWaalsContact C-N 3.34Å; F244-Q246 PolarHBondContact O-N 3.3Å; F244-V247 PolarHBondContact O-N 2.99Å; F244-V247 VanDerWaalsContact O-N 3.14Å; F244-M248 WeakPolarHBondContact O-CB 3.48Å; F244-M248 PolarHBondContact O-N 3.46Å; F244-Q317 HydrophobicContact CD2-CB 4.08Å; F244-Q317 HydrophobicContact CE2-CB 3.92Å; F244-Q317 HydrophobicContact CZ-CB 4.4Å; F244-H321 HydrophobicContact CD1-CB 4.07Å; F244-H321 AromaticContact CD1-CD2 3.59Å; F244-H321 AromaticContact CD1-CE1 3.48Å; F244-H321 VanDerWaalsContact CD1-CE1 3.48Å; F244-H321 WeakPolarHBondContact CD1-CE1 3.5Å; F244-H321 AromaticContact CD1-CG 3.37Å; F244-H321 AromaticContact CD1-ND1 3.31Å; F244-H321 VanDerWaalsContact CD1-ND1 3.31Å; F244-H321 WeakPolarHBondContact CD1-ND1 3.1Å; F244-H321 AromaticContact CD1-NE2 3.63Å; F244-H321 HydrophobicContact CE1-CB 3.9Å; F244-H321 AromaticContact CE1-CG 3.7Å; F244-H321 AromaticContact CE1-ND1 3.74Å; F244-H321 AromaticContact CG-CE1 3.79Å; F244-H321 AromaticContact CG-ND1 3.97Å
245	G	95.6	Very high	93.8	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-54.4	-45.7	173.1	0	0	0	0	0	112.9	M240 D242 V247 M248 I249	M240-G245 WeakPolarHBondContact CE-O 3.46Å; D242-G245 PolarHBondContact O-N 3.42Å; D242-G245 PolarHBondContact OD1-N 3.29Å; G245-V247 PolarHBondContact O-N 3.26Å; G245-M248 WeakPolarHBondContact O-CB 3.16Å; G245-M248 PolarHBondContact O-N 3.33Å; G245-I249 VanDerWaalsContact O-CG1 3.32Å; G245-I249 WeakPolarHBondContact O-CG1 3.49Å; G245-I249 PolarHBondContact O-N 3.38Å
246	Q	94.8	Very high	93	Very high	79 Å²	79	62.6 Å²	62.6	37%	0.369	30%	0.298	S	S	.	.	H	α-helix	trans	-62.3	-43.1	176	-65.9	-50.1	-47.8	0	0	112.6	M240 D242 F244 M248 I249 E250	M240-Q246 PolarHBondContact O-NE2 3.19Å; M240-Q246 VanDerWaalsContact O-NE2 3.13Å; D242-Q246 WeakPolarHBondContact O-CG 3.4Å; D242-Q246 PolarHBondContact O-N 3.08Å; F244-Q246 VanDerWaalsContact C-N 3.34Å; F244-Q246 PolarHBondContact O-N 3.3Å; Q246-M248 VanDerWaalsContact C-N 3.29Å; Q246-M248 PolarHBondContact O-N 2.66Å; Q246-I249 PolarHBondContact O-N 3.06Å; Q246-E250 WeakPolarHBondContact O-CG 3.45Å; Q246-E250 PolarHBondContact O-N 3.42Å
247	V	94.8	Very high	92.4	Very high	52 Å²	52	63 Å²	63	32%	0.315	30%	0.301	S	S	.	.	H	α-helix	trans	-62.4	-39.1	175.9	169.4	0	0	0	0	111.1	R243 F244 G245 E250 N251	R243-V247 WeakPolarHBondContact O-CG2 3.24Å; R243-V247 PolarHBondContact O-N 2.78Å; R243-V247 VanDerWaalsContact O-N 3.14Å; F244-V247 PolarHBondContact O-N 2.99Å; F244-V247 VanDerWaalsContact O-N 3.14Å; G245-V247 PolarHBondContact O-N 3.26Å; V247-E250 PolarHBondContact O-N 3.11Å; V247-N251 WeakPolarHBondContact O-CB 3.49Å; V247-N251 PolarHBondContact O-N 2.83Å; V247-N251 PolarHBondContact O-ND2 3.18Å
248	M	94	Very high	91.9	Very high	23 Å²	23	65.4 Å²	65.4	11%	0.113	32%	0.321	C	S	.	.	H	α-helix	trans	-63.5	-44.7	176.5	-175.3	180	-172.4	0	0	112	Q237 M240 F244 G245 Q246 N251 L252 Y322	Q237-M248 HydrophobicContact CG-CE 3.67Å; Q237-M248 HydrophobicContact CG-SD 4.16Å; M240-M248 HydrophobicContact CE-CB 4.14Å; M240-M248 HydrophobicContact CE-CG 4.18Å; M240-M248 HydrophobicContact CE-SD 3.87Å; M240-M248 HydrophobicContact SD-SD 3.93Å; F244-M248 WeakPolarHBondContact O-CB 3.48Å; F244-M248 PolarHBondContact O-N 3.46Å; G245-M248 WeakPolarHBondContact O-CB 3.16Å; G245-M248 PolarHBondContact O-N 3.33Å; Q246-M248 VanDerWaalsContact C-N 3.29Å; Q246-M248 PolarHBondContact O-N 2.66Å; M248-N251 PolarHBondContact O-N 2.99Å; M248-L252 HydrophobicContact CG-CD1 4.32Å; M248-L252 WeakPolarHBondContact O-CG 3.41Å; M248-L252 PolarHBondContact O-N 3.47Å; M248-L252 VanDerWaalsContact O-N 3.09Å; M248-Y322 HydrophobicContact CE-CE1 4.39Å; M248-Y322 HydrophobicContact CE-CE2 3.58Å; M248-Y322 VanDerWaalsContact CE-CZ 3.41Å; M248-Y322 WeakPolarHBondContact CE-OH 3.32Å
249	I	93.5	Very high	91.5	Very high	20 Å²	20	66 Å²	66	10%	0.103	33%	0.325	C	S	.	.	H	α-helix	trans	-59.6	-51.1	175.2	-67.3	163.1	0	0	0	110.4	M240 G245 Q246 N251 L252 Q253 V262	M240-I249 HydrophobicContact CE-CD1 3.95Å; M240-I249 HydrophobicContact CE-CG1 3.5Å; G245-I249 VanDerWaalsContact O-CG1 3.32Å; G245-I249 WeakPolarHBondContact O-CG1 3.49Å; G245-I249 PolarHBondContact O-N 3.38Å; Q246-I249 PolarHBondContact O-N 3.06Å; I249-N251 VanDerWaalsContact C-N 3.27Å; I249-N251 PolarHBondContact O-N 3.17Å; I249-L252 PolarHBondContact O-N 3.08Å; I249-Q253 HydrophobicContact CG2-CG 4.29Å; I249-Q253 WeakPolarHBondContact O-CB 3.18Å; I249-Q253 WeakPolarHBondContact O-CG 3.26Å; I249-Q253 PolarHBondContact O-N 2.82Å; I249-V262 HydrophobicContact CD1-CG2 3.72Å; I249-V262 HydrophobicContact CG1-CG2 4Å
250	E	92.9	Very high	91.3	Very high	72 Å²	72	66 Å²	66	34%	0.336	33%	0.332	S	S	.	.	H	α-helix	trans	-57.5	-41.1	179	-73.4	178	-154.3	0	0	111.7	Q246 V247 R254	Q246-E250 WeakPolarHBondContact O-CG 3.45Å; Q246-E250 PolarHBondContact O-N 3.42Å; V247-E250 PolarHBondContact O-N 3.11Å; E250-R254 VanDerWaalsContact O-CG 3.31Å; E250-R254 WeakPolarHBondContact O-CG 3.19Å; E250-R254 PolarHBondContact O-N 3.23Å; E250-R254 VanDerWaalsContact O-N 3.07Å; E250-R254 IonicContact OE2-NH2 3.25Å; E250-R254 PolarHBondContact OE2-NH2 3.03Å
251	N	89.3	Confident	91.2	Very high	58 Å²	58	65.8 Å²	65.8	31%	0.31	33%	0.331	S	S	.	.	H	α-helix	trans	-66.2	-38.9	179.7	-76.8	-22.8	0	0	0	112.8	V247 M248 I249	V247-N251 WeakPolarHBondContact O-CB 3.49Å; V247-N251 PolarHBondContact O-N 2.83Å; V247-N251 PolarHBondContact O-ND2 3.18Å; M248-N251 PolarHBondContact O-N 2.99Å; I249-N251 VanDerWaalsContact C-N 3.27Å; I249-N251 PolarHBondContact O-N 3.17Å
252	L	87.5	Confident	91.2	Very high	37 Å²	37	63.6 Å²	63.6	19%	0.194	31%	0.314	C	S	.	.	H	α-helix	trans	-72.2	-40.8	177.1	-70.9	167.9	0	0	0	111.6	M248 I249 R254 R255 C257 L259	M248-L252 HydrophobicContact CG-CD1 4.32Å; M248-L252 WeakPolarHBondContact O-CG 3.41Å; M248-L252 PolarHBondContact O-N 3.47Å; M248-L252 VanDerWaalsContact O-N 3.09Å; I249-L252 PolarHBondContact O-N 3.08Å; L252-R254 VanDerWaalsContact C-N 3.3Å; L252-R254 PolarHBondContact O-N 2.84Å; L252-R255 CarbonylContact O-C 3.52Å; L252-R255 WeakPolarHBondContact O-CA 3.28Å; L252-R255 WeakPolarHBondContact O-CB 3.28Å; L252-R255 PolarHBondContact O-N 2.96Å; L252-C257 CarbonylContact C-O 3.56Å; L252-C257 VanDerWaalsContact C-O 3.23Å; L252-C257 HydrophobicContact CB-CB 4.4Å; L252-C257 WeakPolarHBondContact CB-O 3.46Å; L252-C257 PolarHBondContact O-N 2.75Å; L252-L259 HydrophobicContact CD1-CD1 3.64Å; L252-L259 HydrophobicContact CD1-CD2 4.05Å; L252-L259 HydrophobicContact CD1-CG 3.93Å
253	Q	88	Confident	91.2	Very high	113 Å²	113	65.6 Å²	65.6	53%	0.528	32%	0.321	S	S	.	.	H	α-helix	trans	-60.3	-38.3	175.4	-74.5	177.8	-9.5	0	0	112.5	I249 R255 C256 C257	I249-Q253 HydrophobicContact CG2-CG 4.29Å; I249-Q253 WeakPolarHBondContact O-CB 3.18Å; I249-Q253 WeakPolarHBondContact O-CG 3.26Å; I249-Q253 PolarHBondContact O-N 2.82Å; Q253-R255 PolarHBondContact O-N 3.3Å; Q253-R255 VanDerWaalsContact O-N 3.16Å; Q253-C256 WeakPolarHBondContact O-CA 3.32Å; Q253-C256 PolarHBondContact O-N 2.76Å; Q253-C257 PolarHBondContact N-O 3.33Å
254	R	88.3	Confident	91.2	Very high	175 Å²	175	58.9 Å²	58.9	66%	0.66	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-18.5	174.2	-73.9	175.3	-162.1	158.2	10.5	113.6	E250 L252	E250-R254 VanDerWaalsContact O-CG 3.31Å; E250-R254 WeakPolarHBondContact O-CG 3.19Å; E250-R254 PolarHBondContact O-N 3.23Å; E250-R254 VanDerWaalsContact O-N 3.07Å; E250-R254 IonicContact OE2-NH2 3.25Å; E250-R254 PolarHBondContact OE2-NH2 3.03Å; L252-R254 VanDerWaalsContact C-N 3.3Å; L252-R254 PolarHBondContact O-N 2.84Å
255	R	80.3	Confident	91.3	Very high	158 Å²	158	56.4 Å²	56.4	60%	0.596	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	17.3	174.4	-58.4	177.6	-173.3	-178.8	2.6	112.2	L252 Q253 C257	L252-R255 CarbonylContact O-C 3.52Å; L252-R255 WeakPolarHBondContact O-CA 3.28Å; L252-R255 WeakPolarHBondContact O-CB 3.28Å; L252-R255 PolarHBondContact O-N 2.96Å; Q253-R255 PolarHBondContact O-N 3.3Å; Q253-R255 VanDerWaalsContact O-N 3.16Å; R255-C257 PolarHBondContact O-N 2.89Å; R255-C257 VanDerWaalsContact O-N 3.12Å
256	C	83.3	Confident	91.3	Very high	82 Å²	82	61.7 Å²	61.7	55%	0.554	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	13	-174.6	-56.1	0	0	0	0	114.6	A32 Q253 A258	A32-C256 HydrophobicContact CB-CB 4.16Å; A32-C256 WeakPolarHBondContact CB-O 3.33Å; Q253-C256 WeakPolarHBondContact O-CA 3.32Å; Q253-C256 PolarHBondContact O-N 2.76Å; C256-A258 PolarHBondContact O-N 2.95Å
257	C	84.8	Confident	91.5	Very high	7 Å²	7	59.8 Å²	59.8	5%	0.047	31%	0.307	C	S	.	.			trans	-94.7	95.3	178.3	-175	0	0	0	0	109.4	L252 Q253 R255	L252-C257 CarbonylContact C-O 3.56Å; L252-C257 VanDerWaalsContact C-O 3.23Å; L252-C257 HydrophobicContact CB-CB 4.4Å; L252-C257 WeakPolarHBondContact CB-O 3.46Å; L252-C257 PolarHBondContact O-N 2.75Å; Q253-C257 PolarHBondContact N-O 3.33Å; R255-C257 PolarHBondContact O-N 2.89Å; R255-C257 VanDerWaalsContact O-N 3.12Å
258	A	87.8	Confident	91.7	Very high	55 Å²	55	59.3 Å²	59.3	46%	0.455	30%	0.303	S	S	.	.			trans	-81.6	129.6	175.2	0	0	0	0	0	110.8	C256 A260	C256-A258 PolarHBondContact O-N 2.95Å; A258-A260 PolarHBondContact O-N 3.36Å
259	L	91.3	Very high	91.9	Very high	13 Å²	13	63.1 Å²	63.1	7%	0.068	32%	0.324	C	S	.	.			trans	-87.3	80.8	171.6	-62.4	-173.8	0	0	0	109.6	V209 Y210 M240 L252 G261 V262	V209-L259 HydrophobicContact CG1-CD2 4.1Å; V209-L259 HydrophobicContact CG2-CB 4.06Å; V209-L259 HydrophobicContact CG2-CD1 4.3Å; V209-L259 HydrophobicContact CG2-CD2 3.99Å; V209-L259 HydrophobicContact CG2-CG 4.34Å; V209-L259 CarbonylContact O-C 3.55Å; Y210-L259 HydrophobicContact CD1-CD2 3.97Å; Y210-L259 HydrophobicContact CE1-CD2 3.7Å; M240-L259 HydrophobicContact CE-CD1 4.41Å; L252-L259 HydrophobicContact CD1-CD1 3.64Å; L252-L259 HydrophobicContact CD1-CD2 4.05Å; L252-L259 HydrophobicContact CD1-CG 3.93Å; L259-G261 PolarHBondContact O-N 3.42Å; L259-G261 VanDerWaalsContact O-N 3.16Å; L259-V262 HydrophobicContact CB-CB 3.82Å; L259-V262 HydrophobicContact CB-CG2 4.39Å; L259-V262 HydrophobicContact CD1-CG2 4.26Å; L259-V262 WeakPolarHBondContact O-CB 3.44Å; L259-V262 WeakPolarHBondContact O-CG1 3.47Å; L259-V262 PolarHBondContact O-N 2.93Å; L259-V262 VanDerWaalsContact O-N 3.13Å
260	A	93.5	Very high	92.1	Very high	52 Å²	52	63.6 Å²	63.6	43%	0.43	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-29.9	-174.8	0	0	0	0	0	113.4	V209 M211 P213 A258	V209-A260 PolarHBondContact O-N 3.35Å; M211-A260 CarbonylContact O-C 3.51Å; P213-A260 WeakPolarHBondContact CD-O 3.38Å; A258-A260 PolarHBondContact O-N 3.36Å
261	G	94.9	Very high	92.4	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	11.5	-179.2	0	0	0	0	0	114.8	V209 M211 L259 E263 L264	V209-G261 PolarHBondContact O-N 3.47Å; M211-G261 VanDerWaalsContact O-CA 3.27Å; M211-G261 WeakPolarHBondContact O-CA 3.35Å; M211-G261 PolarHBondContact O-N 2.93Å; L259-G261 PolarHBondContact O-N 3.42Å; L259-G261 VanDerWaalsContact O-N 3.16Å; G261-E263 PolarHBondContact O-N 3.47Å; G261-E263 VanDerWaalsContact O-N 3.1Å; G261-L264 PolarHBondContact O-N 3.5Å
262	V	95.2	Very high	92.8	Very high	35 Å²	35	60.1 Å²	60.1	21%	0.212	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-60.2	-25.5	-172.7	72.6	0	0	0	0	113.8	M240 I249 L259 L264 C265	M240-V262 HydrophobicContact CB-CG2 3.88Å; M240-V262 HydrophobicContact CE-CG2 4.16Å; M240-V262 HydrophobicContact CG-CG2 4.04Å; I249-V262 HydrophobicContact CD1-CG2 3.72Å; I249-V262 HydrophobicContact CG1-CG2 4Å; L259-V262 HydrophobicContact CB-CB 3.82Å; L259-V262 HydrophobicContact CB-CG2 4.39Å; L259-V262 HydrophobicContact CD1-CG2 4.26Å; L259-V262 WeakPolarHBondContact O-CB 3.44Å; L259-V262 WeakPolarHBondContact O-CG1 3.47Å; L259-V262 PolarHBondContact O-N 2.93Å; L259-V262 VanDerWaalsContact O-N 3.13Å; V262-L264 PolarHBondContact O-N 2.75Å; V262-C265 WeakPolarHBondContact O-CB 3.31Å; V262-C265 PolarHBondContact O-N 3.38Å
263	E	94.4	Very high	93.3	Very high	119 Å²	119	61.9 Å²	61.9	56%	0.556	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-63.5	-19.1	176.3	64.3	167	-140.3	0	0	113.6	P213 G261 Q266	P213-E263 HydrophobicContact CB-CG 4.34Å; P213-E263 WeakPolarHBondContact CB-OE1 3.5Å; P213-E263 HydrophobicContact CG-CG 3.42Å; P213-E263 VanDerWaalsContact CG-CG 3.42Å; P213-E263 WeakPolarHBondContact CG-OE1 3.38Å; G261-E263 PolarHBondContact O-N 3.47Å; G261-E263 VanDerWaalsContact O-N 3.1Å; E263-Q266 WeakPolarHBondContact O-CG 3.37Å; E263-Q266 PolarHBondContact O-NE2 3.32Å
264	L	95.5	Very high	93.8	Very high	35 Å²	35	57.2 Å²	57.2	18%	0.183	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-86	-11.2	174.4	-60.5	-178.6	0	0	0	112.6	P213 G261 V262 Q266 S270	P213-L264 HydrophobicContact CB-CD1 3.9Å; P213-L264 HydrophobicContact CB-CD2 4.34Å; P213-L264 HydrophobicContact CB-CG 4.07Å; P213-L264 HydrophobicContact CG-CG 4.42Å; G261-L264 PolarHBondContact O-N 3.5Å; V262-L264 PolarHBondContact O-N 2.75Å; L264-Q266 VanDerWaalsContact C-N 3.31Å; L264-Q266 PolarHBondContact O-N 3.45Å; L264-S270 PolarHBondContact O-OG 2.9Å
265	C	97.2	Very high	94.3	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.263	C	S	.	.			trans	-92.6	33.2	-176.6	-57.5	0	0	0	0	112.8	Q237 V238 N239 M240 V262	Q237-C265 HydrophobicContact CB-CB 4.37Å; Q237-C265 WeakPolarHBondContact O-CB 3.4Å; Q237-C265 PolarHBondContact O-SG 3Å; V238-C265 CarbonylContact C-O 3.49Å; N239-C265 PolarHBondContact N-O 2.84Å; N239-C265 VanDerWaalsContact N-O 3.11Å; M240-C265 HydrophobicContact CB-CB 4.24Å; M240-C265 WeakPolarHBondContact CB-O 3.33Å; M240-C265 HydrophobicContact CG-CB 3.67Å; M240-C265 PolarHBondContact N-O 3.47Å; V262-C265 WeakPolarHBondContact O-CB 3.31Å; V262-C265 PolarHBondContact O-N 3.38Å
266	Q	96.9	Very high	95.1	Very high	110 Å²	110	44.7 Å²	44.7	51%	0.514	25%	0.252	S	S	.	.	S	Bend	trans	-75.2	-43.3	-174.8	-68.3	175.4	34.2	0	0	112.8	N239 E263 L264 S270	N239-Q266 WeakPolarHBondContact CA-O 3.27Å; N239-Q266 PolarHBondContact N-O 2.89Å; E263-Q266 WeakPolarHBondContact O-CG 3.37Å; E263-Q266 PolarHBondContact O-NE2 3.32Å; L264-Q266 VanDerWaalsContact C-N 3.31Å; L264-Q266 PolarHBondContact O-N 3.45Å; Q266-S270 PolarHBondContact N-OG 3.13Å
267	S	98.3	Very high	95.8	Very high	40 Å²	40	50.1 Å²	50.1	28%	0.28	26%	0.261	S	S	.	.			trans	-158	170.8	-177.7	69.7	0	0	0	0	111.3	D269 S270 Q271	S267-D269 PolarHBondContact O-N 3.14Å; S267-D269 PolarHBondContact OG-N 3.12Å; S267-S270 PolarHBondContact N-OG 3.04Å; S267-S270 PolarHBondContact O-N 3.02Å; S267-S270 PolarHBondContact O-OG 3.44Å; S267-S270 PolarHBondContact OG-N 3.4Å; S267-S270 VanDerWaalsContact OG-N 3.13Å; S267-Q271 PolarHBondContact O-N 3.16Å; S267-Q271 VanDerWaalsContact O-N 3.12Å
268	L	98.6	Very high	96.5	Very high	41 Å²	41	50.2 Å²	50.2	22%	0.215	26%	0.262	C	S	.	.	H	α-helix	trans	-60.4	-32.6	171.7	-64.9	174	0	0	0	111.7	V238 Q271 K272 A285 C323	V238-L268 HydrophobicContact CG2-CD2 4.04Å; V238-L268 HydrophobicContact CG2-CG 4.26Å; L268-Q271 PolarHBondContact O-N 2.97Å; L268-K272 WeakPolarHBondContact O-CE 3.28Å; L268-K272 WeakPolarHBondContact O-CG 2.98Å; L268-K272 PolarHBondContact O-N 3.03Å; L268-A285 HydrophobicContact CB-CB 4.23Å; L268-A285 HydrophobicContact CD2-CB 3.9Å; L268-C323 HydrophobicContact CD2-CB 3.5Å; L268-C323 VanDerWaalsContact CD2-CB 3.5Å
269	D	98.5	Very high	97	Very high	104 Å²	104	48.9 Å²	48.9	56%	0.556	25%	0.253	S	S	*	.	H	α-helix	trans	-69.3	-40.3	176.4	-67.4	-34.6	0	0	0	112	S267 Q271 K272 E273	S267-D269 PolarHBondContact O-N 3.14Å; S267-D269 PolarHBondContact OG-N 3.12Å; D269-Q271 VanDerWaalsContact C-N 3.27Å; D269-Q271 PolarHBondContact O-N 3.41Å; D269-K272 PolarHBondContact O-N 3.34Å; D269-K272 WeakPolarHBondContact OD1-CE 3.43Å; D269-K272 IonicContact OD1-NZ 2.94Å; D269-K272 PolarHBondContact OD1-NZ 3.22Å; D269-E273 VanDerWaalsContact O-CB 3.25Å; D269-E273 WeakPolarHBondContact O-CB 3.4Å; D269-E273 PolarHBondContact O-N 3.26Å
270	S	97.6	Very high	97.3	Very high	29 Å²	29	48.6 Å²	48.6	20%	0.203	25%	0.251	C	S	.	.	H	α-helix	trans	-63.9	-36.2	175	72	0	0	0	0	111.8	L264 Q266 S267 R274	L264-S270 PolarHBondContact O-OG 2.9Å; Q266-S270 PolarHBondContact N-OG 3.13Å; S267-S270 PolarHBondContact N-OG 3.04Å; S267-S270 PolarHBondContact O-N 3.02Å; S267-S270 PolarHBondContact O-OG 3.44Å; S267-S270 PolarHBondContact OG-N 3.4Å; S267-S270 VanDerWaalsContact OG-N 3.13Å; S270-R274 WeakPolarHBondContact O-CB 3.34Å; S270-R274 PolarHBondContact O-N 3.21Å; S270-R274 VanDerWaalsContact O-N 3.14Å
271	Q	98.5	Very high	97.5	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-64.9	-47.2	174.7	-71.3	-69.2	3.7	0	0	112.1	E236 Q237 V238 S267 L268 D269 R274 F275 C325	E236-Q271 PolarHBondContact OE1-NE2 3.21Å; E236-Q271 PolarHBondContact OE1-OE1 3.41Å; Q237-Q271 PolarHBondContact O-NE2 2.87Å; V238-Q271 HydrophobicContact CG2-CG 4.48Å; S267-Q271 PolarHBondContact O-N 3.16Å; S267-Q271 VanDerWaalsContact O-N 3.12Å; L268-Q271 PolarHBondContact O-N 2.97Å; D269-Q271 VanDerWaalsContact C-N 3.27Å; D269-Q271 PolarHBondContact O-N 3.41Å; Q271-R274 WeakPolarHBondContact O-CB 3.46Å; Q271-R274 PolarHBondContact O-N 3.02Å; Q271-F275 WeakPolarHBondContact O-CD2 2.98Å; Q271-C325 HydrophobicContact CB-CB 4.39Å
272	K	98.6	Very high	97.7	Very high	58 Å²	58	54.9 Å²	54.9	25%	0.252	28%	0.275	S	S	.	.	H	α-helix	trans	-62.1	-47.3	176.2	-70.3	176.6	-63.9	179.8	0	112	L268 D269 R274 F275 L276 A283 A285	L268-K272 WeakPolarHBondContact O-CE 3.28Å; L268-K272 WeakPolarHBondContact O-CG 2.98Å; L268-K272 PolarHBondContact O-N 3.03Å; D269-K272 PolarHBondContact O-N 3.34Å; D269-K272 WeakPolarHBondContact OD1-CE 3.43Å; D269-K272 IonicContact OD1-NZ 2.94Å; D269-K272 PolarHBondContact OD1-NZ 3.22Å; K272-R274 VanDerWaalsContact C-N 3.25Å; K272-R274 PolarHBondContact O-N 2.99Å; K272-F275 PolarHBondContact O-N 3.3Å; K272-F275 VanDerWaalsContact O-N 3.07Å; K272-L276 WeakPolarHBondContact O-CG 3.33Å; K272-L276 PolarHBondContact O-N 2.88Å; K272-L276 VanDerWaalsContact O-N 3.11Å; K272-A283 HydrophobicContact CB-CB 4.02Å; K272-A283 HydrophobicContact CG-CB 4.24Å; K272-A285 HydrophobicContact CD-CB 4.33Å; K272-A285 HydrophobicContact CG-CB 3.82Å
273	E	98.3	Very high	97.8	Very high	73 Å²	73	53.9 Å²	53.9	34%	0.341	27%	0.27	S	S	.	.	H	α-helix	trans	-61.1	-35	-176.3	-176.4	63.6	-171.4	0	0	112.2	D269 F275 L276 R277	D269-E273 VanDerWaalsContact O-CB 3.25Å; D269-E273 WeakPolarHBondContact O-CB 3.4Å; D269-E273 PolarHBondContact O-N 3.26Å; E273-F275 VanDerWaalsContact C-N 3.3Å; E273-F275 PolarHBondContact O-N 2.91Å; E273-L276 PolarHBondContact O-N 3.4Å; E273-R277 HydrophobicContact CG-CG 4.15Å; E273-R277 WeakPolarHBondContact O-CB 3.4Å; E273-R277 VanDerWaalsContact O-CG 3.31Å; E273-R277 WeakPolarHBondContact O-CG 3.35Å; E273-R277 PolarHBondContact O-N 3Å; E273-R277 WeakPolarHBondContact OE1-CG 3.48Å; E273-R277 IonicContact OE1-CZ 3.21Å; E273-R277 VanDerWaalsContact OE1-CZ 3.29Å; E273-R277 IonicContact OE1-NE 3.8Å; E273-R277 PolarHBondContact OE1-NE 3.45Å; E273-R277 IonicContact OE1-NH2 3.92Å; E273-R277 PolarHBondContact OE1-NH2 3.29Å; E273-R277 VanDerWaalsContact OE1-NH2 3.07Å
274	R	97.5	Very high	98	Very high	15 Å²	15	51.1 Å²	51.1	6%	0.057	26%	0.259	C	S	.	.	H	α-helix	trans	-55.2	-43.4	173.8	-179.7	-171.3	-173	173.9	12	112.5	S216 E236 S270 Q271 K272 A278	S216-R274 PolarHBondContact OG-NH2 3.24Å; E236-R274 IonicContact OE1-NH1 2.72Å; E236-R274 PolarHBondContact OE1-NH1 2.96Å; E236-R274 IonicContact OE2-NH1 2.75Å; S270-R274 WeakPolarHBondContact O-CB 3.34Å; S270-R274 PolarHBondContact O-N 3.21Å; S270-R274 VanDerWaalsContact O-N 3.14Å; Q271-R274 WeakPolarHBondContact O-CB 3.46Å; Q271-R274 PolarHBondContact O-N 3.02Å; K272-R274 VanDerWaalsContact C-N 3.25Å; K272-R274 PolarHBondContact O-N 2.99Å; R274-A278 WeakPolarHBondContact O-CB 3.4Å; R274-A278 PolarHBondContact O-N 3.38Å
275	F	98.6	Very high	98.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-73.5	-45.2	177.8	-75.9	-83.8	0	0	0	111.7	L208 V220 F232 N234 Q271 K272 E273 R277 A278 G279 W280 A283 C325 A327	L208-F275 HydrophobicContact CD1-CZ 4.48Å; V220-F275 HydrophobicContact CB-CE1 4.48Å; V220-F275 HydrophobicContact CG1-CD1 3.44Å; V220-F275 VanDerWaalsContact CG1-CD1 3.44Å; V220-F275 HydrophobicContact CG1-CE1 3.52Å; V220-F275 HydrophobicContact CG1-CG 4.28Å; V220-F275 HydrophobicContact CG1-CZ 4.43Å; V220-F275 HydrophobicContact CG2-CE1 4.05Å; V220-F275 HydrophobicContact CG2-CZ 4.35Å; F232-F275 HydrophobicContact CB-CD1 4.29Å; F232-F275 HydrophobicContact CB-CE1 3.77Å; F232-F275 AromaticContact CD1-CE1 3.35Å; F232-F275 HydrophobicContact CD1-CE1 3.35Å; F232-F275 AromaticContact CD1-CZ 3.54Å; F232-F275 HydrophobicContact CD1-CZ 3.54Å; F232-F275 HydrophobicContact CD2-CE1 4.1Å; F232-F275 AromaticContact CE1-CE1 3.89Å; F232-F275 HydrophobicContact CE1-CE1 3.89Å; F232-F275 AromaticContact CE1-CZ 3.84Å; F232-F275 HydrophobicContact CE1-CZ 3.84Å; F232-F275 HydrophobicContact CG-CD1 4.4Å; F232-F275 AromaticContact CG-CE1 3.48Å; F232-F275 HydrophobicContact CG-CE1 3.48Å; F232-F275 VanDerWaalsContact CG-CE1 3.48Å; F232-F275 HydrophobicContact CG-CZ 4.16Å; F232-F275 HydrophobicContact CZ-CE1 4.48Å; N234-F275 HydrophobicContact CB-CE2 4.04Å; N234-F275 HydrophobicContact CB-CZ 3.76Å; Q271-F275 WeakPolarHBondContact O-CD2 2.98Å; K272-F275 PolarHBondContact O-N 3.3Å; K272-F275 VanDerWaalsContact O-N 3.07Å; E273-F275 VanDerWaalsContact C-N 3.3Å; E273-F275 PolarHBondContact O-N 2.91Å; F275-R277 VanDerWaalsContact C-N 3.34Å; F275-R277 PolarHBondContact O-N 2.89Å; F275-A278 PolarHBondContact O-N 3.44Å; F275-A278 VanDerWaalsContact O-N 3.08Å; F275-G279 PolarHBondContact O-N 2.97Å; F275-W280 HydrophobicContact CB-CB 4.19Å; F275-W280 HydrophobicContact CB-CG 4.15Å; F275-W280 AromaticContact CD1-CD1 3.8Å; F275-W280 HydrophobicContact CD1-CD2 4.33Å; F275-W280 HydrophobicContact CD1-CG 4.13Å; F275-W280 AromaticContact CD1-NE1 3.8Å; F275-W280 WeakPolarHBondContact O-CB 3.36Å; F275-W280 PolarHBondContact O-N 3.48Å; F275-W280 VanDerWaalsContact O-N 3.17Å; F275-A283 HydrophobicContact CB-CB 4.06Å; F275-C325 VanDerWaalsContact CD2-SG 3.59Å; F275-C325 HydrophobicContact CE2-CB 4.38Å; F275-A327 HydrophobicContact CB-CB 3.62Å; F275-A327 HydrophobicContact CD1-CB 3.56Å; F275-A327 HydrophobicContact CD2-CB 4.47Å; F275-A327 HydrophobicContact CE1-CB 4.41Å; F275-A327 HydrophobicContact CG-CB 3.62Å
276	L	98.6	Very high	98.2	Very high	70 Å²	70	52 Å²	52	37%	0.366	27%	0.266	S	S	.	.	H	α-helix	trans	-58.7	-45.8	179.7	-63.4	174.9	0	0	0	111.5	K272 E273 A278 G279 A283	K272-L276 WeakPolarHBondContact O-CG 3.33Å; K272-L276 PolarHBondContact O-N 2.88Å; K272-L276 VanDerWaalsContact O-N 3.11Å; E273-L276 PolarHBondContact O-N 3.4Å; L276-A278 VanDerWaalsContact C-N 3.27Å; L276-A278 PolarHBondContact O-N 3.01Å; L276-G279 PolarHBondContact O-N 2.95Å; L276-G279 VanDerWaalsContact O-N 3.12Å; L276-A283 HydrophobicContact CD2-CB 4.05Å; L276-A283 HydrophobicContact CG-CB 4.06Å
277	R	98	Very high	98.3	Very high	197 Å²	197	48.5 Å²	48.5	74%	0.743	25%	0.251	S	S	*	.	H	α-helix	trans	-64	-30.1	176.2	-72.4	-177.7	-177.2	171.4	11.1	113.7	E273 F275 G279	E273-R277 HydrophobicContact CG-CG 4.15Å; E273-R277 WeakPolarHBondContact O-CB 3.4Å; E273-R277 VanDerWaalsContact O-CG 3.31Å; E273-R277 WeakPolarHBondContact O-CG 3.35Å; E273-R277 PolarHBondContact O-N 3Å; E273-R277 WeakPolarHBondContact OE1-CG 3.48Å; E273-R277 IonicContact OE1-CZ 3.21Å; E273-R277 VanDerWaalsContact OE1-CZ 3.29Å; E273-R277 IonicContact OE1-NE 3.8Å; E273-R277 PolarHBondContact OE1-NE 3.45Å; E273-R277 IonicContact OE1-NH2 3.92Å; E273-R277 PolarHBondContact OE1-NH2 3.29Å; E273-R277 VanDerWaalsContact OE1-NH2 3.07Å; F275-R277 VanDerWaalsContact C-N 3.34Å; F275-R277 PolarHBondContact O-N 2.89Å; R277-G279 PolarHBondContact O-N 2.83Å
278	A	98	Very high	98.3	Very high	9 Å²	9	46.6 Å²	46.6	7%	0.074	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-5.5	178.3	0	0	0	0	0	113.1	V220 H221 A224 R274 F275 L276	V220-A278 HydrophobicContact CB-CB 4.24Å; V220-A278 HydrophobicContact CG1-CB 3.64Å; H221-A278 HydrophobicContact CB-CB 4.27Å; H221-A278 PolarHBondContact ND1-O 2.82Å; A224-A278 WeakPolarHBondContact CB-O 3.41Å; R274-A278 WeakPolarHBondContact O-CB 3.4Å; R274-A278 PolarHBondContact O-N 3.38Å; F275-A278 PolarHBondContact O-N 3.44Å; F275-A278 VanDerWaalsContact O-N 3.08Å; L276-A278 VanDerWaalsContact C-N 3.27Å; L276-A278 PolarHBondContact O-N 3.01Å
279	G	98.1	Very high	98.3	Very high	26 Å²	26	47.5 Å²	47.5	27%	0.268	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	105	16.7	175.5	0	0	0	0	0	114.7	F275 L276 R277 K329	F275-G279 PolarHBondContact O-N 2.97Å; L276-G279 PolarHBondContact O-N 2.95Å; L276-G279 VanDerWaalsContact O-N 3.12Å; R277-G279 PolarHBondContact O-N 2.83Å; G279-K329 WeakPolarHBondContact O-CD 3.49Å; G279-K329 PolarHBondContact O-NZ 2.96Å
280	W	98.6	Very high	98.3	Very high	7 Å²	7	43.7 Å²	43.7	3%	0.027	23%	0.225	C	C	.	.			trans	-81.1	144.2	170.5	-65.6	78.5	0	0	0	110.9	L202 V220 A223 A224 A230 F232 F275 A327 K329	L202-W280 HydrophobicContact CD1-CH2 4.33Å; V220-W280 PolarHBondContact O-NE1 3.16Å; A223-W280 HydrophobicContact CB-CZ2 3.96Å; A224-W280 HydrophobicContact CB-CG 4.41Å; A230-W280 HydrophobicContact CB-CH2 3.81Å; A230-W280 HydrophobicContact CB-CZ3 3.92Å; F232-W280 HydrophobicContact CB-CE3 4.49Å; F232-W280 HydrophobicContact CB-CH2 3.55Å; F232-W280 HydrophobicContact CB-CZ2 3.62Å; F232-W280 HydrophobicContact CB-CZ3 3.99Å; F232-W280 HydrophobicContact CD2-CH2 4.28Å; F232-W280 AromaticContact CD2-CZ2 3.77Å; F232-W280 HydrophobicContact CD2-CZ2 3.77Å; F232-W280 HydrophobicContact CG-CH2 4.43Å; F232-W280 HydrophobicContact CG-CZ2 4.15Å; F275-W280 HydrophobicContact CB-CB 4.19Å; F275-W280 HydrophobicContact CB-CG 4.15Å; F275-W280 AromaticContact CD1-CD1 3.8Å; F275-W280 HydrophobicContact CD1-CD2 4.33Å; F275-W280 HydrophobicContact CD1-CG 4.13Å; F275-W280 AromaticContact CD1-NE1 3.8Å; F275-W280 WeakPolarHBondContact O-CB 3.36Å; F275-W280 PolarHBondContact O-N 3.48Å; F275-W280 VanDerWaalsContact O-N 3.17Å; W280-A327 HydrophobicContact CB-CB 3.94Å; W280-A327 HydrophobicContact CD2-CB 3.78Å; W280-A327 VanDerWaalsContact CE3-C 3.5Å; W280-A327 HydrophobicContact CE3-CB 3.74Å; W280-A327 HydrophobicContact CG-CB 3.86Å; W280-A327 WeakPolarHBondContact CZ3-O 3.49Å; W280-K329 HydrophobicContact CD2-CG 4.42Å; W280-K329 HydrophobicContact CE3-CG 3.94Å; W280-K329 HydrophobicContact CZ3-CG 4.43Å
281	D	98.2	Very high	98.3	Very high	97 Å²	97	42.3 Å²	42.3	52%	0.519	22%	0.215	S	C	.	.	S	Bend	trans	-81.4	-34.2	-171.4	-54	-23.1	0	0	0	111.7	T328 K329	D281-T328 PolarHBondContact N-O 3.35Å; D281-T328 VanDerWaalsContact N-O 3.11Å; D281-K329 IonicContact OD1-NZ 3.94Å; D281-K329 PolarHBondContact OD1-NZ 3.28Å; D281-K329 WeakPolarHBondContact OD2-CA 3.37Å; D281-K329 IonicContact OD2-NZ 2.63Å
282	Q	97.9	Very high	98.2	Very high	87 Å²	87	43 Å²	43	41%	0.407	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	151.1	176.1	-61.1	-170.5	-0.3	0	0	110.5	A327 T328	Q282-A327 CarbonylContact O-C 3.5Å; Q282-A327 WeakPolarHBondContact O-CA 3.46Å; Q282-A327 WeakPolarHBondContact O-CB 3.43Å; Q282-T328 PolarHBondContact N-O 2.94Å; Q282-T328 PolarHBondContact O-N 3Å
283	A	98.3	Very high	98.2	Very high	14 Å²	14	43.4 Å²	43.4	12%	0.116	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	133.3	173.9	0	0	0	0	0	110.5	K272 F275 L276 W326 A327	K272-A283 HydrophobicContact CB-CB 4.02Å; K272-A283 HydrophobicContact CG-CB 4.24Å; F275-A283 HydrophobicContact CB-CB 4.06Å; L276-A283 HydrophobicContact CD2-CB 4.05Å; L276-A283 HydrophobicContact CG-CB 4.06Å; A283-W326 WeakPolarHBondContact CA-O 3.32Å; A283-A327 HydrophobicContact CB-CB 4.12Å
284	N	98.4	Very high	98.1	Very high	61 Å²	61	45.1 Å²	45.1	33%	0.326	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	151.6	174.7	-64.9	-71.9	0	0	0	108.9	C325 W326	N284-C325 CarbonylContact O-C 3.56Å; N284-C325 VanDerWaalsContact O-CA 3.25Å; N284-C325 WeakPolarHBondContact O-CA 3.26Å; N284-C325 PolarHBondContact O-SG 2.97Å; N284-C325 VanDerWaalsContact O-SG 3.33Å; N284-W326 HydrophobicContact CB-CD2 3.82Å; N284-W326 VanDerWaalsContact CB-CE2 3.4Å; N284-W326 HydrophobicContact CB-CE3 4.08Å; N284-W326 HydrophobicContact CB-CH2 3.61Å; N284-W326 HydrophobicContact CB-CZ2 3.3Å; N284-W326 HydrophobicContact CB-CZ3 3.98Å; N284-W326 PolarHBondContact N-O 3.5Å; N284-W326 PolarHBondContact O-N 3.45Å
285	A	98.3	Very high	98	Very high	14 Å²	14	44.5 Å²	44.5	12%	0.116	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	141.6	175.7	0	0	0	0	0	110.8	L268 K272 I324 C325	L268-A285 HydrophobicContact CB-CB 4.23Å; L268-A285 HydrophobicContact CD2-CB 3.9Å; K272-A285 HydrophobicContact CD-CB 4.33Å; K272-A285 HydrophobicContact CG-CB 3.82Å; A285-I324 WeakPolarHBondContact CA-O 3.38Å; A285-C325 HydrophobicContact CB-CB 3.98Å
286	L	98.6	Very high	97.8	Very high	41 Å²	41	48.2 Å²	48.2	22%	0.215	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	140.8	173.4	-65.8	177.3	0	0	0	109	A290 V291 F294 C323 I324 W326 F341	L286-A290 HydrophobicContact CB-CB 4.26Å; L286-A290 HydrophobicContact CD2-CB 4.31Å; L286-V291 HydrophobicContact CB-CG2 3.91Å; L286-V291 HydrophobicContact CD1-CG2 4.39Å; L286-F294 HydrophobicContact CD1-CD2 3.91Å; L286-F294 HydrophobicContact CD1-CE2 3.8Å; L286-C323 CarbonylContact O-C 3.5Å; L286-C323 WeakPolarHBondContact O-CA 3.21Å; L286-C323 WeakPolarHBondContact O-CB 3.46Å; L286-I324 PolarHBondContact N-O 3.09Å; L286-I324 PolarHBondContact O-N 2.97Å; L286-W326 HydrophobicContact CD1-CH2 4.16Å; L286-W326 HydrophobicContact CD1-CZ3 4.35Å; L286-W326 HydrophobicContact CG-CH2 4.15Å; L286-W326 HydrophobicContact CG-CZ3 4.15Å; L286-F341 HydrophobicContact CD1-CB 4.28Å; L286-F341 HydrophobicContact CD1-CD2 3.62Å; L286-F341 HydrophobicContact CD1-CE2 4.33Å; L286-F341 HydrophobicContact CD1-CG 4.17Å
287	D	98.6	Very high	97.7	Very high	35 Å²	35	50.1 Å²	50.1	19%	0.187	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	159.3	164.1	67.4	57.2	0	0	0	110.4	M289 A290 V291 Y322	D287-M289 PolarHBondContact O-N 3.44Å; D287-M289 WeakPolarHBondContact OD1-CA 3.44Å; D287-M289 VanDerWaalsContact OD1-CB 3.27Å; D287-M289 WeakPolarHBondContact OD1-CB 3.49Å; D287-M289 PolarHBondContact OD1-N 2.77Å; D287-A290 WeakPolarHBondContact O-CB 3.46Å; D287-A290 PolarHBondContact O-N 3.47Å; D287-A290 PolarHBondContact OD1-N 2.68Å; D287-V291 PolarHBondContact O-N 2.93Å; D287-Y322 CarbonylContact C-O 3.55Å; D287-Y322 VanDerWaalsContact CA-O 3.31Å; D287-Y322 WeakPolarHBondContact CA-O 3.38Å
288	M	98.6	Very high	97.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-71.4	-14.1	-174.9	-64.3	-54.8	-59.9	0	0	113.3	A79 Y235 V291 Y292 L319 Y322 I324	A79-M288 VanDerWaalsContact C-CE 3.42Å; A79-M288 HydrophobicContact CB-CE 3.89Å; A79-M288 WeakPolarHBondContact O-CE 3.29Å; Y235-M288 HydrophobicContact CD2-CE 4.38Å; Y235-M288 HydrophobicContact CD2-CG 4.49Å; Y235-M288 HydrophobicContact CD2-SD 3.84Å; Y235-M288 HydrophobicContact CE2-CE 3.9Å; Y235-M288 HydrophobicContact CE2-CG 3.72Å; Y235-M288 HydrophobicContact CE2-SD 3.55Å; Y235-M288 VanDerWaalsContact CE2-SD 3.55Å; M288-V291 HydrophobicContact CE-CB 3.93Å; M288-V291 HydrophobicContact CE-CG1 3.78Å; M288-V291 HydrophobicContact CE-CG2 4.31Å; M288-V291 HydrophobicContact SD-CB 4.19Å; M288-V291 HydrophobicContact SD-CG2 3.98Å; M288-Y292 VanDerWaalsContact O-CB 3.27Å; M288-Y292 WeakPolarHBondContact O-CB 3.47Å; M288-Y292 PolarHBondContact O-N 2.97Å; M288-L319 HydrophobicContact CB-CB 4.06Å; M288-L319 HydrophobicContact CB-CD2 3.8Å; M288-L319 HydrophobicContact CB-CG 4.49Å; M288-L319 WeakPolarHBondContact CB-O 3.43Å; M288-L319 PolarHBondContact N-O 3.42Å; M288-Y322 WeakPolarHBondContact CG-O 2.99Å; M288-Y322 PolarHBondContact N-O 3.21Å; M288-I324 HydrophobicContact CE-CD1 3.87Å; M288-I324 HydrophobicContact CE-CG1 4.35Å; M288-I324 HydrophobicContact SD-CB 4.39Å; M288-I324 HydrophobicContact SD-CD1 3.74Å; M288-I324 HydrophobicContact SD-CG1 3.57Å; M288-I324 VanDerWaalsContact SD-CG1 3.57Å
289	M	98.1	Very high	97.6	Very high	61 Å²	61	49.4 Å²	49.4	30%	0.3	27%	0.273	S	S	.	.	H	α-helix	trans	-73.8	-42.6	174	-170.9	66.7	-152.4	0	0	109.7	D287 Y292 S293 Q316 L319 Q320	D287-M289 PolarHBondContact O-N 3.44Å; D287-M289 WeakPolarHBondContact OD1-CA 3.44Å; D287-M289 VanDerWaalsContact OD1-CB 3.27Å; D287-M289 WeakPolarHBondContact OD1-CB 3.49Å; D287-M289 PolarHBondContact OD1-N 2.77Å; M289-Y292 PolarHBondContact O-N 2.89Å; M289-S293 PolarHBondContact O-N 2.64Å; M289-S293 VanDerWaalsContact O-N 3.14Å; M289-Q316 HydrophobicContact CG-CG 4.46Å; M289-Q316 HydrophobicContact SD-CB 4.42Å; M289-Q316 HydrophobicContact SD-CG 4.28Å; M289-L319 HydrophobicContact CB-CB 3.96Å; M289-L319 HydrophobicContact SD-CB 4.31Å; M289-L319 HydrophobicContact SD-CD1 3.84Å; M289-Q320 HydrophobicContact CB-CG 4Å
290	A	98.3	Very high	97.6	Very high	24 Å²	24	48.5 Å²	48.5	20%	0.198	26%	0.262	C	S	.	.	H	α-helix	trans	-61	-47.8	170.3	0	0	0	0	0	110.9	L286 D287 Y292 S293 F294	L286-A290 HydrophobicContact CB-CB 4.26Å; L286-A290 HydrophobicContact CD2-CB 4.31Å; D287-A290 WeakPolarHBondContact O-CB 3.46Å; D287-A290 PolarHBondContact O-N 3.47Å; D287-A290 PolarHBondContact OD1-N 2.68Å; A290-Y292 VanDerWaalsContact C-N 3.34Å; A290-Y292 PolarHBondContact O-N 2.95Å; A290-S293 WeakPolarHBondContact O-CB 3.35Å; A290-S293 PolarHBondContact O-N 3.27Å; A290-S293 PolarHBondContact O-OG 3.09Å; A290-F294 HydrophobicContact CB-CE2 4.28Å; A290-F294 WeakPolarHBondContact O-CD2 3.26Å; A290-F294 PolarHBondContact O-N 3.07Å
291	V	98.2	Very high	97.5	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-55.8	-48	175.6	175.6	0	0	0	0	111.2	L286 D287 M288 S293 F294 L295 I324 F341	L286-V291 HydrophobicContact CB-CG2 3.91Å; L286-V291 HydrophobicContact CD1-CG2 4.39Å; D287-V291 PolarHBondContact O-N 2.93Å; M288-V291 HydrophobicContact CE-CB 3.93Å; M288-V291 HydrophobicContact CE-CG1 3.78Å; M288-V291 HydrophobicContact CE-CG2 4.31Å; M288-V291 HydrophobicContact SD-CB 4.19Å; M288-V291 HydrophobicContact SD-CG2 3.98Å; V291-S293 PolarHBondContact O-N 3.25Å; V291-F294 PolarHBondContact O-N 3.09Å; V291-L295 WeakPolarHBondContact O-CG 3.14Å; V291-L295 PolarHBondContact O-N 3.31Å; V291-I324 HydrophobicContact CG1-CD1 4.41Å; V291-I324 HydrophobicContact CG2-CD1 4.4Å; V291-F341 HydrophobicContact CG1-CD1 4.32Å; V291-F341 HydrophobicContact CG1-CE1 3.87Å; V291-F341 HydrophobicContact CG1-CZ 4.21Å; V291-F341 HydrophobicContact CG2-CE1 4.47Å; V291-F341 HydrophobicContact CG2-CE2 4.22Å; V291-F341 HydrophobicContact CG2-CZ 4.13Å
292	Y	97.4	Very high	97.5	Very high	14 Å²	14	49.2 Å²	49.2	6%	0.055	27%	0.265	C	S	.	.	H	α-helix	trans	-56.9	-34.9	178.3	-171.7	-100	0	0	0	112.5	Y78 A79 M288 M289 A290 L295 V300 I303 E304 L319	Y78-Y292 HydrophobicContact CD1-CE2 4.38Å; A79-Y292 HydrophobicContact CB-CD2 4Å; M288-Y292 VanDerWaalsContact O-CB 3.27Å; M288-Y292 WeakPolarHBondContact O-CB 3.47Å; M288-Y292 PolarHBondContact O-N 2.97Å; M289-Y292 PolarHBondContact O-N 2.89Å; A290-Y292 VanDerWaalsContact C-N 3.34Å; A290-Y292 PolarHBondContact O-N 2.95Å; Y292-L295 HydrophobicContact CD2-CD1 4.36Å; Y292-V300 HydrophobicContact CE1-CG1 3.9Å; Y292-V300 HydrophobicContact CE2-CG1 4.42Å; Y292-I303 HydrophobicContact CE2-CD1 4.25Å; Y292-E304 VanDerWaalsContact OH-CG 3.32Å; Y292-E304 WeakPolarHBondContact OH-CG 3.27Å; Y292-E304 PolarHBondContact OH-OE1 2.72Å; Y292-L319 HydrophobicContact CD2-CD1 4.42Å; Y292-L319 HydrophobicContact CG-CD1 4.13Å
293	S	96.9	Very high	97.5	Very high	67 Å²	67	45 Å²	45	47%	0.469	25%	0.246	S	C	.	.	H	α-helix	trans	-73.2	-23.6	176.4	77.5	0	0	0	0	114.5	M289 A290 V291 Q297	M289-S293 PolarHBondContact O-N 2.64Å; M289-S293 VanDerWaalsContact O-N 3.14Å; A290-S293 WeakPolarHBondContact O-CB 3.35Å; A290-S293 PolarHBondContact O-N 3.27Å; A290-S293 PolarHBondContact O-OG 3.09Å; V291-S293 PolarHBondContact O-N 3.25Å; S293-Q297 PolarHBondContact O-NE2 3.23Å; S293-Q297 VanDerWaalsContact O-NE2 3.14Å
294	F	96.3	Very high	97.4	Very high	109 Å²	109	48.1 Å²	48.1	48%	0.478	26%	0.257	S	S	.	.	H	α-helix	trans	-87.8	-13.7	177	-67.2	-58	0	0	0	113.5	L286 A290 V291 F341	L286-F294 HydrophobicContact CD1-CD2 3.91Å; L286-F294 HydrophobicContact CD1-CE2 3.8Å; A290-F294 HydrophobicContact CB-CE2 4.28Å; A290-F294 WeakPolarHBondContact O-CD2 3.26Å; A290-F294 PolarHBondContact O-N 3.07Å; V291-F294 PolarHBondContact O-N 3.09Å; F294-F341 HydrophobicContact CB-CB 4.1Å; F294-F341 HydrophobicContact CD2-CB 4.19Å; F294-F341 HydrophobicContact CG-CB 4.26Å
295	L	96.2	Very high	97.4	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.01	28%	0.275	C	S	.	.	S	Bend	trans	-62.1	153.5	176.5	-64	-178.5	0	0	0	111.7	Y78 Q82 L86 V291 Y292 Q297 V300	Y78-L295 HydrophobicContact CD1-CD1 4.14Å; Y78-L295 HydrophobicContact CE1-CD1 3.51Å; Q82-L295 HydrophobicContact CB-CD1 4.08Å; Q82-L295 HydrophobicContact CB-CD2 3.69Å; L86-L295 HydrophobicContact CD1-CD2 3.63Å; V291-L295 WeakPolarHBondContact O-CG 3.14Å; V291-L295 PolarHBondContact O-N 3.31Å; Y292-L295 HydrophobicContact CD2-CD1 4.36Å; L295-Q297 PolarHBondContact O-N 2.8Å; L295-Q297 PolarHBondContact O-NE2 3.43Å; L295-V300 HydrophobicContact CB-CG2 3.72Å
296	P	95.3	Very high	97.3	Very high	77 Å²	77	56.5 Å²	56.5	50%	0.5	29%	0.287	S	S	.	.			trans	-54.7	115.1	176	-26.5	35.4	0	0	0	111.8	D298 D299 V300	P296-D298 PolarHBondContact O-N 3.22Å; P296-D299 HydrophobicContact CB-CB 4.41Å; P296-D299 PolarHBondContact O-N 3.17Å; P296-V300 PolarHBondContact O-N 2.83Å
297	Q	95.5	Very high	97.3	Very high	110 Å²	110	55.5 Å²	55.5	51%	0.514	28%	0.281	S	S	.	.	H	α-helix	trans	-64.1	-27.4	-169.4	-65.3	-59.3	-62.2	0	0	113.5	S293 L295 D299 V300 A301	S293-Q297 PolarHBondContact O-NE2 3.23Å; S293-Q297 VanDerWaalsContact O-NE2 3.14Å; L295-Q297 PolarHBondContact O-N 2.8Å; L295-Q297 PolarHBondContact O-NE2 3.43Å; Q297-D299 VanDerWaalsContact C-N 3.34Å; Q297-V300 PolarHBondContact O-N 3Å; Q297-A301 VanDerWaalsContact O-CB 3.3Å; Q297-A301 WeakPolarHBondContact O-CB 3.29Å; Q297-A301 PolarHBondContact O-N 3.05Å
298	D	97.3	Very high	97.1	Very high	147 Å²	147	62.3 Å²	62.3	79%	0.786	31%	0.309	S	S	*	.	H	α-helix	trans	-65.2	-38.1	173.1	-70.1	-25.8	0	0	0	112.2	P296 R302	P296-D298 PolarHBondContact O-N 3.22Å; D298-R302 PolarHBondContact O-N 3.1Å
299	D	97.3	Very high	96.9	Very high	45 Å²	45	62.9 Å²	62.9	24%	0.241	31%	0.312	C	S	.	.	H	α-helix	trans	-76.5	-37.2	177.6	-161.3	51	0	0	0	111.4	Y78 P296 Q297 R302 I303	Y78-D299 WeakPolarHBondContact CE2-OD2 3.33Å; Y78-D299 PolarHBondContact OH-OD2 2.76Å; P296-D299 HydrophobicContact CB-CB 4.41Å; P296-D299 PolarHBondContact O-N 3.17Å; Q297-D299 VanDerWaalsContact C-N 3.34Å; D299-R302 WeakPolarHBondContact O-CB 3.38Å; D299-R302 PolarHBondContact O-N 3.13Å; D299-R302 VanDerWaalsContact O-N 3.15Å; D299-R302 IonicContact OD1-CZ 2.78Å; D299-R302 IonicContact OD1-NE 3.64Å; D299-R302 PolarHBondContact OD1-NE 2.86Å; D299-R302 IonicContact OD1-NH2 3.06Å; D299-R302 PolarHBondContact OD1-NH2 3.42Å; D299-R302 IonicContact OD2-NH2 3Å; D299-R302 PolarHBondContact OD2-NH2 3.16Å; D299-I303 PolarHBondContact O-N 3.01Å
300	V	97.3	Very high	96.4	Very high	6 Å²	6	65.5 Å²	65.5	4%	0.036	33%	0.327	C	S	.	.	H	α-helix	trans	-57.6	-51	169.5	176	0	0	0	0	109.9	Y292 L295 P296 Q297 R302 I303 E304	Y292-V300 HydrophobicContact CE1-CG1 3.9Å; Y292-V300 HydrophobicContact CE2-CG1 4.42Å; L295-V300 HydrophobicContact CB-CG2 3.72Å; P296-V300 PolarHBondContact O-N 2.83Å; Q297-V300 PolarHBondContact O-N 3Å; V300-R302 PolarHBondContact O-N 3.06Å; V300-I303 WeakPolarHBondContact O-CG1 3Å; V300-I303 PolarHBondContact O-N 2.78Å; V300-I303 VanDerWaalsContact O-N 3.12Å; V300-E304 HydrophobicContact CG1-CG 4.15Å; V300-E304 VanDerWaalsContact O-CG 3.3Å; V300-E304 WeakPolarHBondContact O-CG 3.45Å; V300-E304 PolarHBondContact O-N 3.22Å
301	A	97.3	Very high	95.9	Very high	36 Å²	36	68.4 Å²	68.4	30%	0.298	34%	0.337	S	S	.	.	H	α-helix	trans	-59.2	-34.8	177.6	0	0	0	0	0	112	Q297 R305	Q297-A301 VanDerWaalsContact O-CB 3.3Å; Q297-A301 WeakPolarHBondContact O-CB 3.29Å; Q297-A301 PolarHBondContact O-N 3.05Å; A301-R305 WeakPolarHBondContact O-CG 3.34Å; A301-R305 PolarHBondContact O-N 3.45Å; A301-R305 PolarHBondContact O-NE 3.13Å; A301-R305 PolarHBondContact O-NH1 3.2Å
302	R	98.1	Very high	95.6	Very high	83 Å²	83	75 Å²	75	31%	0.313	37%	0.365	S	S	.	.	H	α-helix	trans	-63.6	-50.6	173.8	-177.5	-168.7	62.9	75.2	0.9	111.7	G51 Y52 D298 D299 V300 E304 R305	G51-R302 PolarHBondContact O-NH1 3.16Å; Y52-R302 PolarHBondContact O-NH2 3.2Å; D298-R302 PolarHBondContact O-N 3.1Å; D299-R302 WeakPolarHBondContact O-CB 3.38Å; D299-R302 PolarHBondContact O-N 3.13Å; D299-R302 VanDerWaalsContact O-N 3.15Å; D299-R302 IonicContact OD1-CZ 2.78Å; D299-R302 IonicContact OD1-NE 3.64Å; D299-R302 PolarHBondContact OD1-NE 2.86Å; D299-R302 IonicContact OD1-NH2 3.06Å; D299-R302 PolarHBondContact OD1-NH2 3.42Å; D299-R302 IonicContact OD2-NH2 3Å; D299-R302 PolarHBondContact OD2-NH2 3.16Å; V300-R302 PolarHBondContact O-N 3.06Å; R302-E304 VanDerWaalsContact C-N 3.32Å; R302-E304 PolarHBondContact O-N 2.94Å; R302-R305 PolarHBondContact O-N 3.32Å
303	I	97.7	Very high	95.5	Very high	0 Å²	0	80.2 Å²	80.2	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-69.8	-31.1	-177.6	64.6	84.6	0	0	0	112.3	Y52 R75 Y78 Y292 D299 V300 R305 L306	Y52-I303 HydrophobicContact CD1-CB 3.88Å; Y52-I303 HydrophobicContact CD1-CD1 4.47Å; Y52-I303 HydrophobicContact CD1-CG2 4.21Å; Y52-I303 HydrophobicContact CE1-CB 4.14Å; Y52-I303 HydrophobicContact CE1-CD1 4.23Å; Y52-I303 WeakPolarHBondContact O-CG2 3.4Å; R75-I303 HydrophobicContact CG-CD1 4.06Å; Y78-I303 HydrophobicContact CD1-CD1 4.12Å; Y78-I303 HydrophobicContact CD1-CG1 3.98Å; Y78-I303 HydrophobicContact CD2-CG2 4Å; Y78-I303 HydrophobicContact CE1-CD1 4.25Å; Y78-I303 HydrophobicContact CE1-CG1 3.78Å; Y78-I303 HydrophobicContact CE2-CG1 4.36Å; Y78-I303 HydrophobicContact CE2-CG2 3.75Å; Y78-I303 HydrophobicContact CG-CG1 4.36Å; Y292-I303 HydrophobicContact CE2-CD1 4.25Å; D299-I303 PolarHBondContact O-N 3.01Å; V300-I303 WeakPolarHBondContact O-CG1 3Å; V300-I303 PolarHBondContact O-N 2.78Å; V300-I303 VanDerWaalsContact O-N 3.12Å; I303-R305 PolarHBondContact O-N 2.75Å; I303-L306 HydrophobicContact CB-CD1 4.14Å; I303-L306 HydrophobicContact CG2-CD1 4.18Å; I303-L306 WeakPolarHBondContact O-CB 3.41Å; I303-L306 PolarHBondContact O-N 3.34Å; I303-L306 VanDerWaalsContact O-N 3.08Å
304	E	96.8	Very high	95.2	Very high	78 Å²	78	79.3 Å²	79.3	36%	0.364	38%	0.38	S	S	.	.	H	α-helix	trans	-68.5	-20.9	178.4	-67.9	-159.3	150.2	0	0	113.1	R75 Y292 V300 R302	R75-E304 VanDerWaalsContact NH1-CG 3.34Å; R75-E304 IonicContact NH1-OE1 3.01Å; R75-E304 PolarHBondContact NH1-OE1 2.66Å; R75-E304 PolarHBondContact NH2-O 2.94Å; R75-E304 VanDerWaalsContact NH2-O 3.17Å; Y292-E304 VanDerWaalsContact OH-CG 3.32Å; Y292-E304 WeakPolarHBondContact OH-CG 3.27Å; Y292-E304 PolarHBondContact OH-OE1 2.72Å; V300-E304 HydrophobicContact CG1-CG 4.15Å; V300-E304 VanDerWaalsContact O-CG 3.3Å; V300-E304 WeakPolarHBondContact O-CG 3.45Å; V300-E304 PolarHBondContact O-N 3.22Å; R302-E304 VanDerWaalsContact C-N 3.32Å; R302-E304 PolarHBondContact O-N 2.94Å
305	R	97.4	Very high	95.2	Very high	183 Å²	183	74.6 Å²	74.6	69%	0.691	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-13.5	173.3	-70.7	-175.1	-64.8	-93.9	5.2	113.9	A301 R302 I303	A301-R305 WeakPolarHBondContact O-CG 3.34Å; A301-R305 PolarHBondContact O-N 3.45Å; A301-R305 PolarHBondContact O-NE 3.13Å; A301-R305 PolarHBondContact O-NH1 3.2Å; R302-R305 PolarHBondContact O-N 3.32Å; I303-R305 PolarHBondContact O-N 2.75Å
306	L	97.4	Very high	95.2	Very high	69 Å²	69	78.8 Å²	78.8	36%	0.361	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-38.8	-179	-63.9	173.6	0	0	0	111.8	Y52 I303	Y52-L306 HydrophobicContact CD1-CD1 4.45Å; Y52-L306 HydrophobicContact CD2-CD1 3.97Å; Y52-L306 HydrophobicContact CE2-CD1 4.23Å; Y52-L306 HydrophobicContact CG-CD1 4.1Å; I303-L306 HydrophobicContact CB-CD1 4.14Å; I303-L306 HydrophobicContact CG2-CD1 4.18Å; I303-L306 WeakPolarHBondContact O-CB 3.41Å; I303-L306 PolarHBondContact O-N 3.34Å; I303-L306 VanDerWaalsContact O-N 3.08Å
307	E	97	Very high	95.2	Very high	20 Å²	20	79.5 Å²	79.5	9%	0.093	38%	0.376	C	S	.	.	S	Bend	trans	-142.4	133.5	-177	-63.4	-176.2	116.1	0	0	110.4	Y52 P71 N74 R75	Y52-E307 WeakPolarHBondContact CE2-OE2 3.11Å; Y52-E307 PolarHBondContact OH-OE2 2.79Å; P71-E307 HydrophobicContact CB-CB 4.05Å; P71-E307 HydrophobicContact CG-CB 4.17Å; N74-E307 PolarHBondContact ND2-OE2 3.2Å; R75-E307 PolarHBondContact NH2-O 3.19Å; R75-E307 VanDerWaalsContact NH2-O 3.15Å
308	F	94.9	Very high	95.3	Very high	178 Å²	178	75.7 Å²	75.7	78%	0.781	36%	0.359	S	S	*	.			trans	-67.2	132.1	172	179.5	-107.6	0	0	0	110.2	P71 D310	P71-F308 WeakPolarHBondContact CG-O 3.31Å; F308-D310 HydrophobicContact CE1-CB 3.79Å; F308-D310 HydrophobicContact CZ-CB 4.23Å
309	L	94.6	Very high	95.3	Very high	11 Å²	11	68.8 Å²	68.8	6%	0.058	32%	0.322	C	S	.	.			trans	-122.7	112.7	175.1	176.4	69.3	0	0	0	107.9	P71 E72 K312 L315	P71-L309 HydrophobicContact CB-CB 4.43Å; P71-L309 HydrophobicContact CB-CD1 4.22Å; E72-L309 HydrophobicContact CB-CD1 4.14Å; L309-K312 HydrophobicContact CD2-CG 4.44Å; L309-L315 HydrophobicContact CD2-CB 3.94Å; L309-L315 HydrophobicContact CD2-CD2 3.74Å; L309-L315 HydrophobicContact CD2-CG 4.46Å
310	D	88.3	Confident	95.3	Very high	116 Å²	116	69.9 Å²	69.9	62%	0.62	33%	0.325	S	S	*	.	S	Bend	trans	-82.4	-46.7	174.9	51.4	-6.5	0	0	0	111.9	F308 K312	F308-D310 HydrophobicContact CE1-CB 3.79Å; F308-D310 HydrophobicContact CZ-CB 4.23Å; D310-K312 PolarHBondContact O-N 2.63Å
311	E	87.6	Confident	95.4	Very high	86 Å²	86	69.9 Å²	69.9	40%	0.402	33%	0.325	S	S	.	.			trans	-89.5	75.6	-176	-63.4	-173.1	160.4	0	0	111.9	E313 L314	E311-E313 PolarHBondContact O-N 3.3Å; E311-L314 HydrophobicContact CB-CB 4.05Å; E311-L314 PolarHBondContact O-N 3.22Å
312	K	91.8	Very high	95.5	Very high	138 Å²	138	70.1 Å²	70.1	60%	0.6	32%	0.318	S	S	*	.	H	α-helix	trans	-63	-31.7	177.9	-68.7	-174.7	178.5	-175	0	112.8	L309 D310 L314 L315 Q316	L309-K312 HydrophobicContact CD2-CG 4.44Å; D310-K312 PolarHBondContact O-N 2.63Å; K312-L314 VanDerWaalsContact C-N 3.26Å; K312-L314 PolarHBondContact O-N 3.01Å; K312-L315 PolarHBondContact O-N 3.11Å; K312-Q316 PolarHBondContact O-N 3.35Å
313	E	93.9	Very high	95.5	Very high	124 Å²	124	66.1 Å²	66.1	58%	0.579	30%	0.304	S	S	*	.	H	α-helix	trans	-63.2	-34.7	178	-63.5	73.3	-162.8	0	0	111.3	E311 Q316 Q317	E311-E313 PolarHBondContact O-N 3.3Å; E313-Q316 PolarHBondContact O-N 3.35Å; E313-Q317 WeakPolarHBondContact O-CB 3.33Å; E313-Q317 WeakPolarHBondContact O-CG 3.45Å; E313-Q317 PolarHBondContact O-N 3.29Å
314	L	91.9	Very high	95.5	Very high	48 Å²	48	66.1 Å²	66.1	25%	0.251	30%	0.304	S	S	.	.	H	α-helix	trans	-68.8	-42	177.5	-176.5	63	0	0	0	111.4	E72 E311 K312 Q317 L318	E72-L314 HydrophobicContact CG-CD2 3.98Å; E72-L314 HydrophobicContact CG-CG 4.13Å; E72-L314 WeakPolarHBondContact OE1-CD2 3.48Å; E311-L314 HydrophobicContact CB-CB 4.05Å; E311-L314 PolarHBondContact O-N 3.22Å; K312-L314 VanDerWaalsContact C-N 3.26Å; K312-L314 PolarHBondContact O-N 3.01Å; L314-Q317 PolarHBondContact O-N 2.99Å; L314-L318 WeakPolarHBondContact O-CB 3.4Å; L314-L318 PolarHBondContact O-N 3.39Å
315	L	95	Very high	95.6	Very high	10 Å²	10	62.4 Å²	62.4	5%	0.052	29%	0.286	C	S	.	.	H	α-helix	trans	-60.5	-47.3	172.7	175.8	65.4	0	0	0	110.8	E72 R75 L309 K312 Q317 L318 L319	E72-L315 HydrophobicContact CB-CB 3.94Å; E72-L315 HydrophobicContact CB-CD1 4.03Å; R75-L315 HydrophobicContact CB-CD1 3.91Å; R75-L315 HydrophobicContact CB-CD2 4.37Å; L309-L315 HydrophobicContact CD2-CB 3.94Å; L309-L315 HydrophobicContact CD2-CD2 3.74Å; L309-L315 HydrophobicContact CD2-CG 4.46Å; K312-L315 PolarHBondContact O-N 3.11Å; L315-Q317 PolarHBondContact O-N 3.26Å; L315-L318 PolarHBondContact O-N 3.39Å; L315-L319 HydrophobicContact CD1-CD1 3.77Å; L315-L319 HydrophobicContact CD1-CD2 4.31Å; L315-L319 HydrophobicContact CD1-CG 3.8Å; L315-L319 HydrophobicContact CD2-CD1 4.48Å; L315-L319 HydrophobicContact CG-CD1 3.89Å; L315-L319 HydrophobicContact CG-CG 4.22Å; L315-L319 WeakPolarHBondContact O-CB 3.49Å; L315-L319 VanDerWaalsContact O-CG 3.32Å; L315-L319 WeakPolarHBondContact O-CG 3.27Å; L315-L319 PolarHBondContact O-N 3.4Å
316	Q	97.1	Very high	95.7	Very high	89 Å²	89	54.2 Å²	54.2	42%	0.416	26%	0.255	S	S	.	.	H	α-helix	trans	-59	-48.4	178.8	-178.2	179.4	-9.8	0	0	111.3	M289 K312 E313 L318 L319 Q320	M289-Q316 HydrophobicContact CG-CG 4.46Å; M289-Q316 HydrophobicContact SD-CB 4.42Å; M289-Q316 HydrophobicContact SD-CG 4.28Å; K312-Q316 PolarHBondContact O-N 3.35Å; E313-Q316 PolarHBondContact O-N 3.35Å; Q316-L318 VanDerWaalsContact C-N 3.34Å; Q316-L318 PolarHBondContact O-N 3.31Å; Q316-L319 PolarHBondContact O-N 2.92Å; Q316-Q320 HydrophobicContact CG-CG 4.36Å; Q316-Q320 WeakPolarHBondContact O-CB 3.23Å; Q316-Q320 VanDerWaalsContact O-CG 3.26Å; Q316-Q320 WeakPolarHBondContact O-CG 3.34Å; Q316-Q320 PolarHBondContact O-N 3.47Å
317	Q	95.7	Very high	95.8	Very high	92 Å²	92	51 Å²	51	43%	0.43	24%	0.238	S	C	.	.	H	α-helix	trans	-58.7	-46	176.5	-76.4	179.4	-1	0	0	111.5	F244 E313 L314 L315 L319 Q320 H321	F244-Q317 HydrophobicContact CD2-CB 4.08Å; F244-Q317 HydrophobicContact CE2-CB 3.92Å; F244-Q317 HydrophobicContact CZ-CB 4.4Å; E313-Q317 WeakPolarHBondContact O-CB 3.33Å; E313-Q317 WeakPolarHBondContact O-CG 3.45Å; E313-Q317 PolarHBondContact O-N 3.29Å; L314-Q317 PolarHBondContact O-N 2.99Å; L315-Q317 PolarHBondContact O-N 3.26Å; Q317-L319 PolarHBondContact O-N 2.97Å; Q317-Q320 PolarHBondContact O-N 3.14Å; Q317-H321 PolarHBondContact O-N 2.77Å; Q317-H321 PolarHBondContact O-ND1 2.98Å
318	L	96.1	Very high	95.8	Very high	30 Å²	30	50.2 Å²	50.2	16%	0.157	24%	0.235	C	C	.	.	H	α-helix	trans	-59.3	-49.2	177.7	-177.5	69.5	0	0	0	111.5	I73 L314 L315 Q316 Q320 H321 Y322	I73-L318 HydrophobicContact CD1-CD2 4.02Å; L314-L318 WeakPolarHBondContact O-CB 3.4Å; L314-L318 PolarHBondContact O-N 3.39Å; L315-L318 PolarHBondContact O-N 3.39Å; Q316-L318 VanDerWaalsContact C-N 3.34Å; Q316-L318 PolarHBondContact O-N 3.31Å; L318-Q320 VanDerWaalsContact C-N 3.34Å; L318-Q320 PolarHBondContact O-N 3.14Å; L318-H321 PolarHBondContact O-N 2.97Å; L318-H321 VanDerWaalsContact O-N 3.16Å; L318-Y322 HydrophobicContact CD1-CE2 4.05Å; L318-Y322 WeakPolarHBondContact O-CD2 3.28Å
319	L	98.1	Very high	96	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.016	20%	0.204	C	C	.	.	H	α-helix	trans	-69.4	-30.5	-177.2	-67.4	-176.5	0	0	0	112.9	A79 M288 M289 Y292 L315 Q316 Q317 H321 Y322	A79-L319 HydrophobicContact CB-CD2 4.36Å; M288-L319 HydrophobicContact CB-CB 4.06Å; M288-L319 HydrophobicContact CB-CD2 3.8Å; M288-L319 HydrophobicContact CB-CG 4.49Å; M288-L319 WeakPolarHBondContact CB-O 3.43Å; M288-L319 PolarHBondContact N-O 3.42Å; M289-L319 HydrophobicContact CB-CB 3.96Å; M289-L319 HydrophobicContact SD-CB 4.31Å; M289-L319 HydrophobicContact SD-CD1 3.84Å; Y292-L319 HydrophobicContact CD2-CD1 4.42Å; Y292-L319 HydrophobicContact CG-CD1 4.13Å; L315-L319 HydrophobicContact CD1-CD1 3.77Å; L315-L319 HydrophobicContact CD1-CD2 4.31Å; L315-L319 HydrophobicContact CD1-CG 3.8Å; L315-L319 HydrophobicContact CD2-CD1 4.48Å; L315-L319 HydrophobicContact CG-CD1 3.89Å; L315-L319 HydrophobicContact CG-CG 4.22Å; L315-L319 WeakPolarHBondContact O-CB 3.49Å; L315-L319 VanDerWaalsContact O-CG 3.32Å; L315-L319 WeakPolarHBondContact O-CG 3.27Å; L315-L319 PolarHBondContact O-N 3.4Å; Q316-L319 PolarHBondContact O-N 2.92Å; Q317-L319 PolarHBondContact O-N 2.97Å; L319-H321 PolarHBondContact O-N 3.21Å; L319-Y322 PolarHBondContact O-N 2.88Å; L319-Y322 VanDerWaalsContact O-O 3.06Å
320	Q	98.4	Very high	96.1	Very high	67 Å²	67	44 Å²	44	31%	0.313	21%	0.208	S	C	.	.	H	α-helix	trans	-72.4	-10.4	174.1	-72.8	178.5	-35.4	0	0	113.5	N239 M289 Q316 Q317 L318	N239-Q320 PolarHBondContact ND2-O 3.14Å; M289-Q320 HydrophobicContact CB-CG 4Å; Q316-Q320 HydrophobicContact CG-CG 4.36Å; Q316-Q320 WeakPolarHBondContact O-CB 3.23Å; Q316-Q320 VanDerWaalsContact O-CG 3.26Å; Q316-Q320 WeakPolarHBondContact O-CG 3.34Å; Q316-Q320 PolarHBondContact O-N 3.47Å; Q317-Q320 PolarHBondContact O-N 3.14Å; L318-Q320 VanDerWaalsContact C-N 3.34Å; L318-Q320 PolarHBondContact O-N 3.14Å
321	H	98.4	Very high	96.4	Very high	7 Å²	7	46.3 Å²	46.3	3%	0.032	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	9.7	178.3	-74.4	82.6	0	0	0	114.1	Q237 V238 N239 D242 F244 Q317 L318 L319	Q237-H321 VanDerWaalsContact CA-O 3.27Å; Q237-H321 WeakPolarHBondContact CA-O 3.33Å; V238-H321 PolarHBondContact N-O 3.31Å; V238-H321 CarbonylContact O-C 3.56Å; V238-H321 WeakPolarHBondContact O-CA 3.45Å; N239-H321 PolarHBondContact O-CD2 3.19Å; N239-H321 PolarHBondContact O-NE2 2.94Å; D242-H321 VanDerWaalsContact CG-NE2 3.29Å; D242-H321 IonicContact OD1-CE1 2.75Å; D242-H321 IonicContact OD1-NE2 3.37Å; D242-H321 PolarHBondContact OD1-NE2 3.31Å; D242-H321 IonicContact OD2-CE1 3.59Å; D242-H321 PolarHBondContact OD2-CE1 3.32Å; D242-H321 IonicContact OD2-NE2 3.32Å; D242-H321 PolarHBondContact OD2-NE2 3.25Å; F244-H321 HydrophobicContact CD1-CB 4.07Å; F244-H321 AromaticContact CD1-CD2 3.59Å; F244-H321 AromaticContact CD1-CE1 3.48Å; F244-H321 VanDerWaalsContact CD1-CE1 3.48Å; F244-H321 WeakPolarHBondContact CD1-CE1 3.5Å; F244-H321 AromaticContact CD1-CG 3.37Å; F244-H321 AromaticContact CD1-ND1 3.31Å; F244-H321 VanDerWaalsContact CD1-ND1 3.31Å; F244-H321 WeakPolarHBondContact CD1-ND1 3.1Å; F244-H321 AromaticContact CD1-NE2 3.63Å; F244-H321 HydrophobicContact CE1-CB 3.9Å; F244-H321 AromaticContact CE1-CG 3.7Å; F244-H321 AromaticContact CE1-ND1 3.74Å; F244-H321 AromaticContact CG-CE1 3.79Å; F244-H321 AromaticContact CG-ND1 3.97Å; Q317-H321 PolarHBondContact O-N 2.77Å; Q317-H321 PolarHBondContact O-ND1 2.98Å; L318-H321 PolarHBondContact O-N 2.97Å; L318-H321 VanDerWaalsContact O-N 3.16Å; L319-H321 PolarHBondContact O-N 3.21Å
322	Y	98.7	Very high	96.8	Very high	40 Å²	40	46.8 Å²	46.8	16%	0.157	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	153.3	166.9	-75.2	-92.8	0	0	0	109.4	Y235 E236 Q237 M248 D287 M288 L318 L319	Y235-Y322 AromaticContact CE1-CD1 3.65Å; Y235-Y322 HydrophobicContact CE1-CD1 3.65Å; Y235-Y322 HydrophobicContact CE1-CE1 4.04Å; Y235-Y322 HydrophobicContact CE2-CD1 4.46Å; Y235-Y322 AromaticContact CZ-CD1 3.55Å; Y235-Y322 AromaticContact CZ-CG 4Å; Y235-Y322 VanDerWaalsContact OH-CD1 3.27Å; Y235-Y322 WeakPolarHBondContact OH-CD1 3.49Å; E236-Y322 CarbonylContact O-C 3.23Å; E236-Y322 WeakPolarHBondContact O-CA 3.47Å; Q237-Y322 HydrophobicContact CG-CD1 4.24Å; Q237-Y322 HydrophobicContact CG-CE1 3.85Å; Q237-Y322 PolarHBondContact NE2-OH 2.94Å; M248-Y322 HydrophobicContact CE-CE1 4.39Å; M248-Y322 HydrophobicContact CE-CE2 3.58Å; M248-Y322 VanDerWaalsContact CE-CZ 3.41Å; M248-Y322 WeakPolarHBondContact CE-OH 3.32Å; D287-Y322 CarbonylContact C-O 3.55Å; D287-Y322 VanDerWaalsContact CA-O 3.31Å; D287-Y322 WeakPolarHBondContact CA-O 3.38Å; M288-Y322 WeakPolarHBondContact CG-O 2.99Å; M288-Y322 PolarHBondContact N-O 3.21Å; L318-Y322 HydrophobicContact CD1-CE2 4.05Å; L318-Y322 WeakPolarHBondContact O-CD2 3.28Å; L319-Y322 PolarHBondContact O-N 2.88Å; L319-Y322 VanDerWaalsContact O-O 3.06Å
323	C	98.8	Very high	97	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	157.9	173.9	66.7	0	0	0	0	112	Y235 E236 V238 L268 L286	Y235-C323 WeakPolarHBondContact CA-O 3.41Å; E236-C323 PolarHBondContact N-O 3.26Å; E236-C323 PolarHBondContact O-N 3.24Å; V238-C323 HydrophobicContact CB-CB 3.96Å; V238-C323 HydrophobicContact CG1-CB 3.86Å; V238-C323 HydrophobicContact CG2-CB 4.47Å; L268-C323 HydrophobicContact CD2-CB 3.5Å; L268-C323 VanDerWaalsContact CD2-CB 3.5Å; L286-C323 CarbonylContact O-C 3.5Å; L286-C323 WeakPolarHBondContact O-CA 3.21Å; L286-C323 WeakPolarHBondContact O-CB 3.46Å
324	I	98.8	Very high	97.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	121	156.9	-69	169.7	0	0	0	107.5	V84 L87 I233 N234 Y235 A285 L286 M288 V291 W326 F341	V84-I324 HydrophobicContact CG2-CD1 4.29Å; L87-I324 HydrophobicContact CD1-CG2 3.58Å; I233-I324 HydrophobicContact CG2-CG2 4.22Å; N234-I324 WeakPolarHBondContact O-CA 3.33Å; Y235-I324 HydrophobicContact CD2-CD1 4.23Å; Y235-I324 HydrophobicContact CD2-CG1 3.65Å; Y235-I324 HydrophobicContact CG-CG1 4.43Å; A285-I324 WeakPolarHBondContact CA-O 3.38Å; L286-I324 PolarHBondContact N-O 3.09Å; L286-I324 PolarHBondContact O-N 2.97Å; M288-I324 HydrophobicContact CE-CD1 3.87Å; M288-I324 HydrophobicContact CE-CG1 4.35Å; M288-I324 HydrophobicContact SD-CB 4.39Å; M288-I324 HydrophobicContact SD-CD1 3.74Å; M288-I324 HydrophobicContact SD-CG1 3.57Å; M288-I324 VanDerWaalsContact SD-CG1 3.57Å; V291-I324 HydrophobicContact CG1-CD1 4.41Å; V291-I324 HydrophobicContact CG2-CD1 4.4Å; I324-W326 HydrophobicContact CG2-CE3 4.28Å; I324-F341 HydrophobicContact CB-CE2 4.47Å; I324-F341 HydrophobicContact CB-CZ 4.4Å; I324-F341 HydrophobicContact CD1-CZ 3.96Å; I324-F341 HydrophobicContact CG2-CE2 4.14Å; I324-F341 HydrophobicContact CG2-CZ 4.11Å
325	C	98.6	Very high	97.3	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	136.9	168.6	-178.5	0	0	0	0	108.6	N234 Q271 F275 N284 A285	N234-C325 HydrophobicContact CB-CB 4.46Å; N234-C325 PolarHBondContact N-O 3.49Å; N234-C325 PolarHBondContact O-N 3.33Å; Q271-C325 HydrophobicContact CB-CB 4.39Å; F275-C325 VanDerWaalsContact CD2-SG 3.59Å; F275-C325 HydrophobicContact CE2-CB 4.38Å; N284-C325 CarbonylContact O-C 3.56Å; N284-C325 VanDerWaalsContact O-CA 3.25Å; N284-C325 WeakPolarHBondContact O-CA 3.26Å; N284-C325 PolarHBondContact O-SG 2.97Å; N284-C325 VanDerWaalsContact O-SG 3.33Å; A285-C325 HydrophobicContact CB-CB 3.98Å
326	W	98.8	Very high	97.3	Very high	11 Å²	11	41.6 Å²	41.6	4%	0.042	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	135.1	170	68.9	101.3	0	0	0	111.5	L87 M231 F232 I233 A283 N284 L286 I324 L339 A340 F341	L87-W326 HydrophobicContact CD1-CB 4.06Å; L87-W326 HydrophobicContact CD1-CD2 4.14Å; L87-W326 HydrophobicContact CD1-CE3 4.1Å; L87-W326 HydrophobicContact CD1-CG 4.16Å; L87-W326 HydrophobicContact CD2-CD2 4.33Å; L87-W326 HydrophobicContact CD2-CG 4.47Å; M231-W326 HydrophobicContact CE-CB 3.72Å; M231-W326 HydrophobicContact CE-CG 3.85Å; F232-W326 CarbonylContact O-C 3.41Å; F232-W326 WeakPolarHBondContact O-CA 3.32Å; I233-W326 HydrophobicContact CG1-CB 4.46Å; A283-W326 WeakPolarHBondContact CA-O 3.32Å; N284-W326 HydrophobicContact CB-CD2 3.82Å; N284-W326 VanDerWaalsContact CB-CE2 3.4Å; N284-W326 HydrophobicContact CB-CE3 4.08Å; N284-W326 HydrophobicContact CB-CH2 3.61Å; N284-W326 HydrophobicContact CB-CZ2 3.3Å; N284-W326 HydrophobicContact CB-CZ3 3.98Å; N284-W326 PolarHBondContact N-O 3.5Å; N284-W326 PolarHBondContact O-N 3.45Å; L286-W326 HydrophobicContact CD1-CH2 4.16Å; L286-W326 HydrophobicContact CD1-CZ3 4.35Å; L286-W326 HydrophobicContact CG-CH2 4.15Å; L286-W326 HydrophobicContact CG-CZ3 4.15Å; I324-W326 HydrophobicContact CG2-CE3 4.28Å; W326-L339 PolarHBondContact NE1-O 3.44Å; W326-A340 HydrophobicContact CZ2-CB 4.22Å; W326-F341 HydrophobicContact CE3-CE2 4.07Å; W326-F341 AromaticContact CH2-CD2 3.78Å; W326-F341 HydrophobicContact CH2-CD2 3.78Å; W326-F341 HydrophobicContact CH2-CE2 4.12Å; W326-F341 AromaticContact CZ3-CD2 3.79Å; W326-F341 HydrophobicContact CZ3-CD2 3.79Å; W326-F341 AromaticContact CZ3-CE2 3.65Å; W326-F341 HydrophobicContact CZ3-CE2 3.65Å
327	A	98.7	Very high	97	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	150.1	-179.4	0	0	0	0	0	110.5	M231 F232 F275 W280 Q282 A283	M231-A327 CarbonylContact C-O 3.51Å; M231-A327 VanDerWaalsContact CA-O 3.27Å; M231-A327 WeakPolarHBondContact CA-O 3.34Å; F232-A327 PolarHBondContact N-O 3.12Å; F232-A327 PolarHBondContact O-N 3.03Å; F275-A327 HydrophobicContact CB-CB 3.62Å; F275-A327 HydrophobicContact CD1-CB 3.56Å; F275-A327 HydrophobicContact CD2-CB 4.47Å; F275-A327 HydrophobicContact CE1-CB 4.41Å; F275-A327 HydrophobicContact CG-CB 3.62Å; W280-A327 HydrophobicContact CB-CB 3.94Å; W280-A327 HydrophobicContact CD2-CB 3.78Å; W280-A327 VanDerWaalsContact CE3-C 3.5Å; W280-A327 HydrophobicContact CE3-CB 3.74Å; W280-A327 HydrophobicContact CG-CB 3.86Å; W280-A327 WeakPolarHBondContact CZ3-O 3.49Å; Q282-A327 CarbonylContact O-C 3.5Å; Q282-A327 WeakPolarHBondContact O-CA 3.46Å; Q282-A327 WeakPolarHBondContact O-CB 3.43Å; A283-A327 HydrophobicContact CB-CB 4.12Å
328	T	98.6	Very high	96.9	Very high	4 Å²	4	42.2 Å²	42.2	3%	0.025	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	147.7	-176.5	60.1	0	0	0	0	112.7	A230 M231 D281 Q282 L336	A230-T328 WeakPolarHBondContact O-CA 3.33Å; M231-T328 HydrophobicContact CB-CG2 4.38Å; M231-T328 HydrophobicContact CG-CG2 4.13Å; D281-T328 PolarHBondContact N-O 3.35Å; D281-T328 VanDerWaalsContact N-O 3.11Å; Q282-T328 PolarHBondContact N-O 2.94Å; Q282-T328 PolarHBondContact O-N 3Å; T328-L336 HydrophobicContact CG2-CB 4.03Å
329	K	97.3	Very high	96.7	Very high	32 Å²	32	41.4 Å²	41.4	14%	0.139	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	139.2	160.4	-61.8	-178	69.9	66.9	0	107.4	A224 T229 A230 G279 W280 D281	A224-K329 HydrophobicContact CB-CD 4.2Å; A224-K329 WeakPolarHBondContact O-CE 3.43Å; T229-K329 CarbonylContact C-O 3.52Å; T229-K329 WeakPolarHBondContact CA-O 3.47Å; A230-K329 PolarHBondContact N-O 3.43Å; A230-K329 PolarHBondContact O-N 3.45Å; A230-K329 VanDerWaalsContact O-O 3.08Å; G279-K329 WeakPolarHBondContact O-CD 3.49Å; G279-K329 PolarHBondContact O-NZ 2.96Å; W280-K329 HydrophobicContact CD2-CG 4.42Å; W280-K329 HydrophobicContact CE3-CG 3.94Å; W280-K329 HydrophobicContact CZ3-CG 4.43Å; D281-K329 IonicContact OD1-NZ 3.94Å; D281-K329 PolarHBondContact OD1-NZ 3.28Å; D281-K329 WeakPolarHBondContact OD2-CA 3.37Å; D281-K329 IonicContact OD2-NZ 2.63Å
330	D	96.9	Very high	96.2	Very high	26 Å²	26	44.4 Å²	44.4	14%	0.139	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	59.3	-168.7	-165.7	13.3	0	0	0	113.6	L332 N333 L334 G335 L336	D330-L332 PolarHBondContact O-N 3.37Å; D330-N333 PolarHBondContact O-N 3.13Å; D330-N333 PolarHBondContact OD1-N 2.92Å; D330-L334 VanDerWaalsContact CG-N 3.32Å; D330-L334 PolarHBondContact OD1-N 3.31Å; D330-L334 PolarHBondContact OD2-N 3.07Å; D330-L334 VanDerWaalsContact OD2-N 3.11Å; D330-G335 WeakPolarHBondContact OD2-CA 3.5Å; D330-G335 PolarHBondContact OD2-N 2.95Å; D330-L336 HydrophobicContact CB-CB 4.19Å; D330-L336 HydrophobicContact CB-CD1 4.36Å; D330-L336 HydrophobicContact CB-CG 4.28Å; D330-L336 PolarHBondContact OD2-N 2.93Å
331	R	96.1	Very high	95.5	Very high	165 Å²	165	44.4 Å²	44.4	62%	0.623	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-31.6	178.5	-175.7	177.5	178.6	-174.2	-2.4	113.1	H228 T229 N333	H228-R331 HydrophobicContact CB-CB 3.89Å; H228-R331 HydrophobicContact CB-CG 4.38Å; H228-R331 WeakPolarHBondContact O-CB 3.46Å; H228-R331 PolarHBondContact O-N 3.27Å; T229-R331 PolarHBondContact OG1-N 3.49Å; R331-N333 PolarHBondContact O-N 3.42Å; R331-N333 PolarHBondContact O-ND2 3.47Å
332	L	95.3	Very high	95.4	Very high	96 Å²	96	46.3 Å²	46.3	50%	0.503	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-1.4	176.8	-67.8	173.1	0	0	0	113.3	P199 T229 D330 L334	P199-L332 HydrophobicContact CG-CD1 3.91Å; T229-L332 HydrophobicContact CG2-CB 4.07Å; T229-L332 HydrophobicContact CG2-CD1 4.15Å; T229-L332 HydrophobicContact CG2-CG 4.37Å; T229-L332 WeakPolarHBondContact OG1-CB 3.02Å; T229-L332 VanDerWaalsContact OG1-CG 3.23Å; T229-L332 WeakPolarHBondContact OG1-CG 3.38Å; T229-L332 PolarHBondContact OG1-N 2.94Å; D330-L332 PolarHBondContact O-N 3.37Å; L332-L334 VanDerWaalsContact C-N 3.27Å; L332-L334 HydrophobicContact CB-CD1 4.48Å; L332-L334 HydrophobicContact CB-CD2 4.28Å; L332-L334 HydrophobicContact CB-CG 3.98Å; L332-L334 PolarHBondContact O-N 3.4Å
333	N	95.5	Very high	95.2	Very high	139 Å²	139	46.6 Å²	46.6	74%	0.743	24%	0.242	S	C	*	.			trans	53.2	42	179.7	-57.6	-72	0	0	0	112.9	D330 R331 G335	D330-N333 PolarHBondContact O-N 3.13Å; D330-N333 PolarHBondContact OD1-N 2.92Å; R331-N333 PolarHBondContact O-N 3.42Å; R331-N333 PolarHBondContact O-ND2 3.47Å; N333-G335 PolarHBondContact O-N 3.25Å
334	L	95.7	Very high	95	Very high	59 Å²	59	49.2 Å²	49.2	31%	0.309	26%	0.255	S	S	.	.			trans	-71.8	-11.2	177.6	-60	-178.8	0	0	0	112.2	K94 T95 P199 T229 D330 L332 L336	K94-L334 WeakPolarHBondContact CE-O 3.46Å; T95-L334 HydrophobicContact CG2-CD1 4.02Å; P199-L334 HydrophobicContact CB-CD1 4.18Å; P199-L334 HydrophobicContact CG-CD1 3.8Å; T229-L334 HydrophobicContact CG2-CD1 3.88Å; T229-L334 HydrophobicContact CG2-CG 4.38Å; D330-L334 VanDerWaalsContact CG-N 3.32Å; D330-L334 PolarHBondContact OD1-N 3.31Å; D330-L334 PolarHBondContact OD2-N 3.07Å; D330-L334 VanDerWaalsContact OD2-N 3.11Å; L332-L334 VanDerWaalsContact C-N 3.27Å; L332-L334 HydrophobicContact CB-CD1 4.48Å; L332-L334 HydrophobicContact CB-CD2 4.28Å; L332-L334 HydrophobicContact CB-CG 3.98Å; L332-L334 PolarHBondContact O-N 3.4Å; L334-L336 HydrophobicContact CB-CD2 4.1Å; L334-L336 HydrophobicContact CB-CG 4.2Å
335	G	96.4	Very high	94.8	Very high	13 Å²	13	52.1 Å²	52.1	13%	0.134	27%	0.27	C	S	.	.			trans	78.6	38.1	-173.6	0	0	0	0	0	111.7	K94 D330 N333 S337 Q338	K94-G335 WeakPolarHBondContact CE-O 3.45Å; K94-G335 PolarHBondContact NZ-O 3.16Å; D330-G335 WeakPolarHBondContact OD2-CA 3.5Å; D330-G335 PolarHBondContact OD2-N 2.95Å; N333-G335 PolarHBondContact O-N 3.25Å; G335-S337 PolarHBondContact O-N 2.98Å; G335-Q338 WeakPolarHBondContact O-CB 3.48Å; G335-Q338 PolarHBondContact O-N 3.2Å
336	L	95.1	Very high	94.5	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-65.1	-29.6	179.3	-61.3	-173.9	0	0	0	112.3	F91 K94 T229 T328 D330 L334 Q338 L339	F91-L336 HydrophobicContact CD2-CD2 3.97Å; F91-L336 HydrophobicContact CE2-CD1 4.01Å; F91-L336 HydrophobicContact CE2-CD2 3.99Å; K94-L336 HydrophobicContact CG-CD2 4.24Å; T229-L336 HydrophobicContact CG2-CD1 3.79Å; T328-L336 HydrophobicContact CG2-CB 4.03Å; D330-L336 HydrophobicContact CB-CB 4.19Å; D330-L336 HydrophobicContact CB-CD1 4.36Å; D330-L336 HydrophobicContact CB-CG 4.28Å; D330-L336 PolarHBondContact OD2-N 2.93Å; L334-L336 HydrophobicContact CB-CD2 4.1Å; L334-L336 HydrophobicContact CB-CG 4.2Å; L336-Q338 PolarHBondContact O-N 2.95Å; L336-Q338 VanDerWaalsContact O-N 3.13Å; L336-L339 HydrophobicContact CD2-CD1 3.98Å; L336-L339 VanDerWaalsContact O-CB 3.29Å; L336-L339 WeakPolarHBondContact O-CB 3.39Å; L336-L339 WeakPolarHBondContact O-CG 3.31Å; L336-L339 PolarHBondContact O-N 3.15Å
337	S	91.7	Very high	94.2	Very high	52 Å²	52	58.3 Å²	58.3	36%	0.364	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-60.3	-19.4	174.5	50.8	0	0	0	0	114.3	G335 L339	G335-S337 PolarHBondContact O-N 2.98Å; S337-L339 VanDerWaalsContact C-N 3.34Å
338	Q	92.9	Very high	93.9	Very high	142 Å²	142	62.5 Å²	62.5	66%	0.664	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-86	-7.4	177.7	-59	169.3	-8.8	0	0	112.6	G335 L336 A340	G335-Q338 WeakPolarHBondContact O-CB 3.48Å; G335-Q338 PolarHBondContact O-N 3.2Å; L336-Q338 PolarHBondContact O-N 2.95Å; L336-Q338 VanDerWaalsContact O-N 3.13Å; Q338-A340 PolarHBondContact O-N 2.83Å
339	L	91.9	Very high	93.6	Very high	14 Å²	14	67 Å²	67	7%	0.073	35%	0.348	C	S	.	.			trans	-71.3	120	176.6	-62.3	177.8	0	0	0	108.9	A90 F91 K94 M231 W326 L336 S337	A90-L339 HydrophobicContact CB-CD2 3.85Å; F91-L339 HydrophobicContact CB-CD1 4.23Å; F91-L339 HydrophobicContact CD2-CD1 4.24Å; K94-L339 HydrophobicContact CB-CD2 4.43Å; K94-L339 HydrophobicContact CD-CD2 4.3Å; M231-L339 HydrophobicContact SD-CD1 3.73Å; W326-L339 PolarHBondContact NE1-O 3.44Å; L336-L339 HydrophobicContact CD2-CD1 3.98Å; L336-L339 VanDerWaalsContact O-CB 3.29Å; L336-L339 WeakPolarHBondContact O-CB 3.39Å; L336-L339 WeakPolarHBondContact O-CG 3.31Å; L336-L339 PolarHBondContact O-N 3.15Å; S337-L339 VanDerWaalsContact C-N 3.34Å
340	A	88.7	Confident	93.2	Very high	65 Å²	65	69.9 Å²	69.9	54%	0.537	37%	0.366	S	S	.	.			trans	-151	174.8	179.8	0	0	0	0	0	109.6	W326 Q338	W326-A340 HydrophobicContact CZ2-CB 4.22Å; Q338-A340 PolarHBondContact O-N 2.83Å
341	F	82.8	Confident	92.9	Very high	68 Å²	68	73.9 Å²	73.9	30%	0.298	39%	0.386	S	S	.	.			trans	-73.7	0	174.8	-78.4	-81.4	0	0	0	113.1	G83 L86 L87 L286 V291 F294 I324 W326	G83-F341 WeakPolarHBondContact O-CE1 3.39Å; G83-F341 WeakPolarHBondContact O-CZ 3.47Å; L86-F341 HydrophobicContact CB-CE1 4.29Å; L86-F341 HydrophobicContact CD1-CD1 4.03Å; L86-F341 HydrophobicContact CD1-CE1 4.18Å; L87-F341 HydrophobicContact CD1-CE2 3.79Å; L87-F341 HydrophobicContact CD1-CZ 3.76Å; L87-F341 HydrophobicContact CD2-CD2 4.39Å; L87-F341 HydrophobicContact CD2-CE2 4.08Å; L87-F341 HydrophobicContact CD2-CZ 4.29Å; L87-F341 HydrophobicContact CG-CE1 4.36Å; L87-F341 HydrophobicContact CG-CE2 4Å; L87-F341 HydrophobicContact CG-CZ 3.78Å; L286-F341 HydrophobicContact CD1-CB 4.28Å; L286-F341 HydrophobicContact CD1-CD2 3.62Å; L286-F341 HydrophobicContact CD1-CE2 4.33Å; L286-F341 HydrophobicContact CD1-CG 4.17Å; V291-F341 HydrophobicContact CG1-CD1 4.32Å; V291-F341 HydrophobicContact CG1-CE1 3.87Å; V291-F341 HydrophobicContact CG1-CZ 4.21Å; V291-F341 HydrophobicContact CG2-CE1 4.47Å; V291-F341 HydrophobicContact CG2-CE2 4.22Å; V291-F341 HydrophobicContact CG2-CZ 4.13Å; F294-F341 HydrophobicContact CB-CB 4.1Å; F294-F341 HydrophobicContact CD2-CB 4.19Å; F294-F341 HydrophobicContact CG-CB 4.26Å; I324-F341 HydrophobicContact CB-CE2 4.47Å; I324-F341 HydrophobicContact CB-CZ 4.4Å; I324-F341 HydrophobicContact CD1-CZ 3.96Å; I324-F341 HydrophobicContact CG2-CE2 4.14Å; I324-F341 HydrophobicContact CG2-CZ 4.11Å; W326-F341 HydrophobicContact CE3-CE2 4.07Å; W326-F341 AromaticContact CH2-CD2 3.78Å; W326-F341 HydrophobicContact CH2-CD2 3.78Å; W326-F341 HydrophobicContact CH2-CE2 4.12Å; W326-F341 AromaticContact CZ3-CD2 3.79Å; W326-F341 HydrophobicContact CZ3-CD2 3.79Å; W326-F341 AromaticContact CZ3-CE2 3.65Å; W326-F341 HydrophobicContact CZ3-CE2 3.65Å

Retrieved 341 of 341 residues in 84.6 ms (Link to these results)

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