A0A024R2M6_HUMAN Loading...

Acetyl-Coenzyme A acyltransferase 1 (Peroxisomal 3-oxoacyl-Coenzyme A thiolase), isoform CRA_a

AlphaFold DB (P09110), UniProt , Accession A0A024R2M6, Species HUMAN (Homo sapiens, Human), Gene ACAA1, Length 424 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.8	Very low	42.7	Very low	246 Å²	246	162.2 Å²	162.2	100%	1.212	83%	0.827	S	S	*	*				0	36.7	0	-68.5	177	-174.4	0	0	112.8
2	Q	45.2	Very low	42.4	Very low	193 Å²	193	168.9 Å²	168.9	90%	0.902	84%	0.835	S	S	*	*			trans	-142.4	40.5	-175.9	-82.8	-178.4	-24.7	0	0	112.6
3	R	41.2	Very low	42	Very low	242 Å²	242	161.4 Å²	161.4	91%	0.913	83%	0.827	S	S	*	*	S	Bend	trans	-131.5	9.8	176.5	-86.7	-170.9	176.1	-173.1	-1	115.3
4	L	45.1	Very low	42	Very low	161 Å²	161	159.4 Å²	159.4	84%	0.843	83%	0.829	S	S	*	*	S	Bend	trans	-109.7	1.1	-177.4	-109	127.1	0	0	0	115.4
5	Q	47.7	Very low	42.3	Very low	181 Å²	181	155.3 Å²	155.3	85%	0.846	83%	0.829	S	S	*	*	S	Bend	trans	-97.8	-7.2	-179.7	-91.1	178.9	-23.9	0	0	115.3
6	V	45.8	Very low	42.2	Very low	124 Å²	124	156.4 Å²	156.4	75%	0.752	84%	0.835	S	S	*	*	S	Bend	trans	-88.6	-11.9	-176.2	179.5	0	0	0	0	113
7	V	39.6	Very low	42.5	Very low	124 Å²	124	153.8 Å²	153.8	75%	0.752	83%	0.832	S	S	*	*	S	Bend	trans	-96.4	-8.9	-178.2	-175.3	0	0	0	0	113.1
8	L	42.7	Very low	42	Very low	132 Å²	132	149.9 Å²	149.9	69%	0.691	83%	0.833	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	2.9	177.7	-81.4	158.5	0	0	0	114.2
9	G	40.6	Very low	41.6	Very low	59 Å²	59	154.5 Å²	154.5	61%	0.608	84%	0.836	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	4.3	-178.1	0	0	0	0	0	115.8
10	H	37.7	Very low	41.5	Very low	175 Å²	175	155.4 Å²	155.4	81%	0.81	84%	0.837	S	S	*	*	S	Bend	trans	-109.6	8.9	-177.9	-67.5	13.5	0	0	0	113.4
11	L	38.8	Very low	41.7	Very low	147 Å²	147	153.5 Å²	153.5	77%	0.77	83%	0.833	S	S	*	*	S	Bend	trans	-111.8	20.5	-178.6	-70	174.5	0	0	0	114
12	R	38.5	Very low	41.3	Very low	243 Å²	243	150.7 Å²	150.7	92%	0.917	82%	0.817	S	S	*	*			trans	-138.1	84.2	173.2	-70.4	-172.5	178.5	179.6	-0.9	110.7
13	G	38	Very low	41.2	Very low	71 Å²	71	146.2 Å²	146.2	73%	0.732	81%	0.813	S	S	*	*			trans	-80.2	152.4	160.9	0	0	0	0	0	110.5
14	P	41.5	Very low	41	Very low	133 Å²	133	138.3 Å²	138.3	86%	0.864	80%	0.799	S	S	*	*			trans	-84	159.6	-161.2	24.1	-14	0	0	0	114.2
15	A	45.9	Very low	40.6	Very low	99 Å²	99	136.6 Å²	136.6	82%	0.818	80%	0.798	S	S	*	*			trans	-29.2	139	-179.5	0	0	0	0	0	118.4	S17	A15-S17 PolarHBondContact O-N 3.12Å
16	D	41.1	Very low	40.3	Very low	173 Å²	173	133.5 Å²	133.5	93%	0.925	80%	0.795	S	S	*	*			trans	-48	114.3	177.6	-70.4	-47.8	0	0	0	114.4
17	S	46.8	Very low	40.5	Very low	112 Å²	112	134.9 Å²	134.9	78%	0.783	80%	0.797	S	S	*	*			trans	-102.7	115.6	149.9	55.8	0	0	0	0	107.9	A15 W19	A15-S17 PolarHBondContact O-N 3.12Å; S17-W19 PolarHBondContact O-N 2.81Å
18	G	33.7	Very low	41.2	Very low	83 Å²	83	132.1 Å²	132.1	86%	0.856	78%	0.784	S	S	*	*			trans	-63	107.6	-173.2	0	0	0	0	0	112.5
19	W	35	Very low	42.1	Very low	237 Å²	237	126.9 Å²	126.9	90%	0.898	76%	0.761	S	S	*	*			trans	-115.6	94.6	164.2	-140.4	60.3	0	0	0	107.8	S17	S17-W19 PolarHBondContact O-N 2.81Å
20	M	38.5	Very low	43.1	Very low	172 Å²	172	126.2 Å²	126.2	85%	0.847	75%	0.75	S	S	*	*			trans	-73.9	122.7	166.2	-74.2	-171.4	119.5	0	0	107.8	Q22	M20-Q22 PolarHBondContact O-N 3.41Å
21	P	46	Very low	44.5	Very low	116 Å²	116	122.9 Å²	122.9	75%	0.753	74%	0.744	S	S	*	*			trans	-67.2	109.1	166.5	16.8	-9.7	0	0	0	107	A23	P21-A23 PolarHBondContact O-N 2.62Å; P21-A23 VanDerWaalsContact O-N 3.1Å
22	Q	37.8	Very low	46.2	Very low	188 Å²	188	122.8 Å²	122.8	88%	0.879	74%	0.739	S	S	*	*			trans	-61.2	112.5	164.3	-78.4	-178.3	-9.9	0	0	107.3	M20 A24	M20-Q22 PolarHBondContact O-N 3.41Å; Q22-A24 PolarHBondContact O-N 2.99Å
23	A	42.2	Very low	48.5	Very low	98 Å²	98	114.8 Å²	114.8	81%	0.81	73%	0.725	S	S	*	*			trans	-63	105.4	165.6	0	0	0	0	0	107.4	P21	P21-A23 PolarHBondContact O-N 2.62Å; P21-A23 VanDerWaalsContact O-N 3.1Å
24	A	38.2	Very low	51.3	Low	76 Å²	76	114.3 Å²	114.3	63%	0.628	71%	0.711	S	S	*	*			trans	-56.1	140.3	163.2	0	0	0	0	0	107.7	Q22 C26	Q22-A24 PolarHBondContact O-N 2.99Å; A24-C26 VanDerWaalsContact C-N 3.28Å; A24-C26 PolarHBondContact O-N 3.23Å
25	P	36.4	Very low	53.9	Low	126 Å²	126	110.7 Å²	110.7	82%	0.818	69%	0.692	S	S	*	*			trans	-64.8	95.7	174.5	27.1	-31.2	0	0	0	107.5	L27	P25-L27 PolarHBondContact O-N 3.12Å; P25-L27 VanDerWaalsContact O-N 3.12Å
26	C	42.6	Very low	56.4	Low	115 Å²	115	108.9 Å²	108.9	78%	0.777	68%	0.677	S	S	*	*			trans	-58.3	118.6	162.7	-71.7	0	0	0	0	105.5	A24 S28	A24-C26 VanDerWaalsContact C-N 3.28Å; A24-C26 PolarHBondContact O-N 3.23Å; C26-S28 PolarHBondContact O-N 2.9Å
27	L	49.9	Very low	59.1	Low	153 Å²	153	101.8 Å²	101.8	80%	0.801	64%	0.639	S	S	*	*			trans	-60.1	83.3	167.3	-75.7	159	0	0	0	107.5	P25 G29 A30	P25-L27 PolarHBondContact O-N 3.12Å; P25-L27 VanDerWaalsContact O-N 3.12Å; L27-G29 PolarHBondContact O-N 3.45Å; L27-A30 HydrophobicContact CB-CB 4.07Å; L27-A30 PolarHBondContact O-N 2.62Å
28	S	54	Low	61.6	Low	67 Å²	67	96.5 Å²	96.5	47%	0.469	60%	0.602	S	S	.	*	T	Hydrogen-bonded Turn	trans	-58.4	111.9	178.9	50.4	0	0	0	0	107.5	C26	C26-S28 PolarHBondContact O-N 2.9Å
29	G	60.4	Low	64.7	Low	21 Å²	21	92.6 Å²	92.6	22%	0.216	56%	0.562	C	S	.	*	T	Hydrogen-bonded Turn	trans	94.1	12.5	178	0	0	0	0	0	117.5	L27 R400 Y402	L27-G29 PolarHBondContact O-N 3.45Å; G29-R400 PolarHBondContact O-NH1 2.66Å; G29-R400 PolarHBondContact O-NH2 3.4Å; G29-Y402 WeakPolarHBondContact CA-OH 3.42Å; G29-Y402 PolarHBondContact O-OH 3.03Å
30	A	62.3	Low	67.7	Low	46 Å²	46	81.4 Å²	81.4	38%	0.38	52%	0.519	S	S	.	.			trans	-53.9	134.7	172.4	0	0	0	0	0	111.7	L27 Q32	L27-A30 HydrophobicContact CB-CB 4.07Å; L27-A30 PolarHBondContact O-N 2.62Å; A30-Q32 PolarHBondContact O-N 2.92Å
31	P	67.1	Low	70.6	Confident	104 Å²	104	73.2 Å²	73.2	68%	0.675	48%	0.479	S	S	*	.			trans	-59.7	120.6	178.7	-20.2	30.8	0	0	0	111.1
32	Q	73.2	Confident	73.1	Confident	145 Å²	145	69.4 Å²	69.4	68%	0.678	45%	0.451	S	S	*	.			trans	-118.8	114.9	167.2	-69.4	-178	-1.8	0	0	107.5	A30 R305	A30-Q32 PolarHBondContact O-N 2.92Å; Q32-R305 PolarHBondContact O-NH1 2.9Å; Q32-R305 PolarHBondContact O-NH2 2.69Å
33	A	87.8	Confident	76	Confident	76 Å²	76	60.5 Å²	60.5	63%	0.628	41%	0.41	S	S	*	.			trans	-117.2	77.6	174.9	0	0	0	0	0	108.4
34	S	95.9	Very high	78.7	Confident	60 Å²	60	57.2 Å²	57.2	42%	0.42	38%	0.377	S	S	.	.			trans	-80.1	140.4	178.7	178.2	0	0	0	0	110.2	A36 D37 R290	S34-A36 PolarHBondContact O-N 2.84Å; S34-A36 VanDerWaalsContact O-N 3.1Å; S34-A36 PolarHBondContact OG-N 2.85Å; S34-D37 PolarHBondContact N-OD2 3.12Å; S34-D37 WeakPolarHBondContact O-CB 3.27Å; S34-D37 PolarHBondContact O-N 3.5Å; S34-R290 WeakPolarHBondContact O-CD 3.06Å; S34-R290 PolarHBondContact O-NE 3.44Å
35	A	97.5	Very high	81.6	Confident	57 Å²	57	53.7 Å²	53.7	47%	0.471	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-24.6	170.9	0	0	0	0	0	112.8	R289 S291	A35-R289 WeakPolarHBondContact O-CG 3.31Å; A35-S291 PolarHBondContact O-N 2.76Å; A35-S291 PolarHBondContact O-OG 3Å
36	A	97.8	Very high	84.6	Confident	62 Å²	62	47.7 Å²	47.7	51%	0.512	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-0	177.1	0	0	0	0	0	114.1	S34	S34-A36 PolarHBondContact O-N 2.84Å; S34-A36 VanDerWaalsContact O-N 3.1Å; S34-A36 PolarHBondContact OG-N 2.85Å
37	D	98.3	Very high	87.3	Confident	24 Å²	24	42.2 Å²	42.2	13%	0.128	27%	0.271	C	S	.	.			trans	-57	142.1	176.2	-76.5	-20.5	0	0	0	110.6	S34 V39 R289 R290 V303 R305	S34-D37 PolarHBondContact N-OD2 3.12Å; S34-D37 WeakPolarHBondContact O-CB 3.27Å; S34-D37 PolarHBondContact O-N 3.5Å; D37-V39 HydrophobicContact CB-CG1 4.4Å; D37-R289 CarbonylContact O-C 3.46Å; D37-R290 HydrophobicContact CB-CB 4.09Å; D37-R290 PolarHBondContact O-N 2.66Å; D37-R290 IonicContact OD2-CZ 3.72Å; D37-R290 IonicContact OD2-NE 3.51Å; D37-R290 PolarHBondContact OD2-NE 3.17Å; D37-R290 IonicContact OD2-NH2 2.62Å; D37-R290 PolarHBondContact OD2-NH2 2.92Å; D37-V303 HydrophobicContact CB-CG1 3.91Å; D37-R305 IonicContact OD1-NH1 2.7Å; D37-R305 PolarHBondContact OD1-NH1 3.05Å; D37-R305 VanDerWaalsContact OD1-NH1 3.1Å; D37-R305 IonicContact OD2-CZ 3.59Å; D37-R305 IonicContact OD2-NH1 3.44Å; D37-R305 PolarHBondContact OD2-NH1 2.93Å; D37-R305 IonicContact OD2-NH2 2.81Å
38	V	98.8	Very high	89.6	Confident	1 Å²	1	35 Å²	35	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	112	168.5	-179.3	0	0	0	0	108	A134 I137 R138 L287 L304	V38-A134 HydrophobicContact CB-CB 4.41Å; V38-A134 HydrophobicContact CG1-CB 3.88Å; V38-A134 HydrophobicContact CG2-CB 4.25Å; V38-I137 HydrophobicContact CG1-CD1 3.99Å; V38-I137 HydrophobicContact CG2-CB 4.18Å; V38-I137 HydrophobicContact CG2-CG2 3.95Å; V38-R138 HydrophobicContact CG2-CG 4.02Å; V38-L287 HydrophobicContact CG1-CB 4.3Å; V38-L287 HydrophobicContact CG1-CD2 3.82Å; V38-L304 PolarHBondContact O-N 3.23Å
39	V	98.8	Very high	91.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	144.4	-179.1	-60.9	0	0	0	0	110.6	D37 V41 L287 A288 R290 A293 I300 G302 V303	D37-V39 HydrophobicContact CB-CG1 4.4Å; V39-V41 HydrophobicContact CG2-CG2 4.42Å; V39-L287 VanDerWaalsContact O-CA 3.25Å; V39-L287 WeakPolarHBondContact O-CA 3.45Å; V39-A288 HydrophobicContact CG2-CB 4.25Å; V39-A288 WeakPolarHBondContact CG2-O 3.36Å; V39-A288 PolarHBondContact N-O 2.97Å; V39-A288 PolarHBondContact O-N 3.1Å; V39-R290 HydrophobicContact CG1-CB 3.85Å; V39-R290 HydrophobicContact CG1-CG 4.31Å; V39-A293 HydrophobicContact CG2-CB 3.8Å; V39-I300 HydrophobicContact CB-CG1 4.21Å; V39-I300 HydrophobicContact CB-CG2 4.09Å; V39-I300 HydrophobicContact CG1-CD1 4.16Å; V39-I300 HydrophobicContact CG1-CG1 4.28Å; V39-I300 HydrophobicContact CG1-CG2 4.08Å; V39-I300 HydrophobicContact CG2-CG1 4.21Å; V39-G302 CarbonylContact C-O 3.58Å; V39-G302 WeakPolarHBondContact CA-O 3.22Å; V39-V303 HydrophobicContact CG1-CG1 4.41Å; V39-V303 HydrophobicContact CG1-CG2 4.29Å
40	V	98.9	Very high	93.6	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.012	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	116.6	165.6	177.8	0	0	0	0	106.9	I285 L287 L301 G302 L391 F419	V40-I285 HydrophobicContact CG1-CG2 3.59Å; V40-I285 HydrophobicContact CG2-CG2 4.33Å; V40-L287 HydrophobicContact CG2-CD2 4.1Å; V40-L287 HydrophobicContact CG2-CG 4.47Å; V40-L301 HydrophobicContact CG1-CB 4.5Å; V40-L301 HydrophobicContact CG1-CD2 4.45Å; V40-L301 WeakPolarHBondContact O-CA 3.26Å; V40-L301 WeakPolarHBondContact O-CB 3.39Å; V40-L301 PolarHBondContact O-N 2.83Å; V40-G302 PolarHBondContact N-O 2.86Å; V40-G302 PolarHBondContact O-N 3.27Å; V40-L391 HydrophobicContact CB-CD1 3.83Å; V40-L391 HydrophobicContact CG1-CD1 3.67Å; V40-L391 HydrophobicContact CG2-CD1 4.02Å; V40-F419 HydrophobicContact CG2-CD1 4.27Å; V40-F419 HydrophobicContact CG2-CE1 3.98Å
41	V	98.9	Very high	95.3	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	-53.8	-179.5	172.3	0	0	0	0	109.8	V39 V76 L286 A288 A293 L298 P299 L301	V39-V41 HydrophobicContact CG2-CG2 4.42Å; V41-V76 HydrophobicContact CG1-CG1 3.99Å; V41-L286 HydrophobicContact CB-CB 4.32Å; V41-L286 HydrophobicContact CB-CD2 4.13Å; V41-L286 HydrophobicContact CB-CG 4.32Å; V41-L286 HydrophobicContact CG1-CD2 4.01Å; V41-L286 PolarHBondContact N-O 2.89Å; V41-A288 HydrophobicContact CG2-CB 3.92Å; V41-A293 HydrophobicContact CG2-CB 4.32Å; V41-L298 HydrophobicContact CG1-CB 3.84Å; V41-L298 HydrophobicContact CG1-CD1 4.39Å; V41-L298 HydrophobicContact CG1-CD2 4.33Å; V41-L298 HydrophobicContact CG1-CG 4.42Å; V41-L298 HydrophobicContact CG2-CB 4.31Å; V41-L298 HydrophobicContact CG2-CD1 4.34Å; V41-P299 VanDerWaalsContact CA-O 3.27Å; V41-P299 WeakPolarHBondContact CA-O 3.24Å; V41-P299 HydrophobicContact CG1-CG 4.07Å; V41-P299 WeakPolarHBondContact CG1-O 3.17Å; V41-L301 WeakPolarHBondContact O-CB 3.44Å
42	H	98.8	Very high	96.6	Very high	36 Å²	36	29.9 Å²	29.9	17%	0.167	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	165.8	-176	-171.9	43.4	0	0	0	110.8	D75 V76 L286	H42-D75 IonicContact CD2-OD2 2.96Å; H42-D75 IonicContact CE1-OD2 2.72Å; H42-D75 WeakPolarHBondContact NE2-CB 3.21Å; H42-D75 IonicContact NE2-OD2 3.25Å; H42-D75 PolarHBondContact NE2-OD2 3.1Å; H42-V76 HydrophobicContact CB-CG1 3.54Å; H42-L286 PolarHBondContact O-N 3.36Å
43	G	98.9	Very high	97.7	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.01	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	147.5	172.2	0	0	0	0	0	113.2	A284	G43-A284 CarbonylContact C-O 3.6Å; G43-A284 WeakPolarHBondContact CA-O 3.44Å
44	R	98.9	Very high	98.2	Very high	29 Å²	29	27.9 Å²	27.9	11%	0.109	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	150.7	178.5	-60.2	-63.8	-65.5	-79.2	8.6	110.2	A71 V72 D75 A221 E222 I223 A283 A284 I388	R44-A71 HydrophobicContact CB-CB 4.24Å; R44-A71 HydrophobicContact CG-CB 4.07Å; R44-V72 HydrophobicContact CB-CG2 3.84Å; R44-V72 HydrophobicContact CG-CG2 3.85Å; R44-D75 VanDerWaalsContact CD-OD2 3.26Å; R44-D75 WeakPolarHBondContact CD-OD2 3.49Å; R44-D75 WeakPolarHBondContact CG-OD2 3.41Å; R44-D75 IonicContact CZ-OD2 3.33Å; R44-D75 IonicContact NE-OD2 3.22Å; R44-D75 VanDerWaalsContact NH1-CG 3.34Å; R44-D75 IonicContact NH1-OD1 3.1Å; R44-D75 PolarHBondContact NH1-OD1 3.1Å; R44-D75 IonicContact NH1-OD2 3.08Å; R44-D75 PolarHBondContact NH1-OD2 3.16Å; R44-A221 PolarHBondContact NE-O 3.1Å; R44-E222 WeakPolarHBondContact CA-O 3.34Å; R44-E222 PolarHBondContact NE-O 3.11Å; R44-I223 PolarHBondContact NH2-O 3.47Å; R44-A283 CarbonylContact O-C 3.59Å; R44-A283 WeakPolarHBondContact O-CA 3.44Å; R44-A284 PolarHBondContact N-O 3.33Å; R44-A284 PolarHBondContact O-N 2.55Å; R44-I388 VanDerWaalsContact O-CD1 3.27Å; R44-I388 WeakPolarHBondContact O-CD1 3.41Å
45	R	98.9	Very high	98.3	Very high	1 Å²	1	25.3 Å²	25.3	0%	0.004	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	156.6	174.2	63.5	173	-172.8	93.4	-12.2	110.4	E222 I223 V224 D245 A282 A283 I388	R45-E222 HydrophobicContact CG-CB 4.32Å; R45-E222 HydrophobicContact CG-CG 4.48Å; R45-E222 WeakPolarHBondContact CG-O 3.49Å; R45-E222 IonicContact CZ-OE1 3.79Å; R45-E222 PolarHBondContact N-O 3.44Å; R45-E222 IonicContact NE-OE1 3.6Å; R45-E222 PolarHBondContact NE-OE1 3.01Å; R45-E222 IonicContact NH2-OE1 3.83Å; R45-E222 PolarHBondContact NH2-OE1 2.95Å; R45-E222 VanDerWaalsContact NH2-OE1 3.08Å; R45-I223 HydrophobicContact CG-CG1 4.33Å; R45-I223 VanDerWaalsContact CZ-CG1 3.43Å; R45-I223 CarbonylContact O-C 3.59Å; R45-I223 VanDerWaalsContact O-CA 3.24Å; R45-I223 WeakPolarHBondContact O-CA 3.44Å; R45-V224 PolarHBondContact O-N 3.41Å; R45-D245 IonicContact CZ-OD1 3.61Å; R45-D245 IonicContact CZ-OD2 2.75Å; R45-D245 IonicContact NH1-OD1 3.16Å; R45-D245 PolarHBondContact NH1-OD1 3.1Å; R45-D245 IonicContact NH1-OD2 3.29Å; R45-D245 PolarHBondContact NH1-OD2 3.17Å; R45-D245 IonicContact NH2-OD1 3.51Å; R45-D245 IonicContact NH2-OD2 2.65Å; R45-D245 PolarHBondContact NH2-OD2 3.22Å; R45-A282 CarbonylContact C-O 3.41Å; R45-A282 VanDerWaalsContact CA-O 3.3Å; R45-A282 WeakPolarHBondContact CA-O 3.28Å; R45-A283 HydrophobicContact CB-CB 3.95Å; R45-I388 HydrophobicContact CB-CD1 4.24Å
46	T	98.9	Very high	98.3	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	165.2	161.8	65.8	0	0	0	0	109.1	V68 V226 G281 A282	T46-V68 HydrophobicContact CG2-CG1 3.73Å; T46-V226 HydrophobicContact CG2-CG2 3.65Å; T46-G281 VanDerWaalsContact OG1-CA 3.32Å; T46-G281 WeakPolarHBondContact OG1-CA 3.29Å; T46-A282 HydrophobicContact CG2-CB 4.1Å; T46-A282 PolarHBondContact N-O 3.16Å; T46-A282 PolarHBondContact OG1-N 3.11Å; T46-A282 PolarHBondContact OG1-O 2.82Å
47	A	98.9	Very high	98.3	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.115	C	C	.	.			trans	-56	159.5	152.2	0	0	0	0	0	109.9	F56 I223 V242 Q244 D245	A47-F56 VanDerWaalsContact O-CE2 3.27Å; A47-F56 WeakPolarHBondContact O-CE2 3.3Å; A47-I223 HydrophobicContact CB-CD1 4.42Å; A47-I223 HydrophobicContact CB-CG2 4.33Å; A47-V242 HydrophobicContact CB-CG1 3.76Å; A47-Q244 WeakPolarHBondContact CB-O 3.49Å; A47-D245 WeakPolarHBondContact CA-OD1 3.44Å
48	I	98.9	Very high	98.3	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	12%	0.123	C	C	.	.			trans	-104.8	121.5	174	-58.6	177.3	0	0	0	108.7	D245 E246 S279 L375 P378 R385	I48-D245 PolarHBondContact N-OD1 2.85Å; I48-E246 PolarHBondContact O-N 3.5Å; I48-S279 VanDerWaalsContact CG2-CB 3.47Å; I48-L375 WeakPolarHBondContact CB-O 3.21Å; I48-L375 HydrophobicContact CD1-CB 4.4Å; I48-L375 WeakPolarHBondContact CG2-O 3.43Å; I48-P378 HydrophobicContact CD1-CG 4.22Å; I48-P378 HydrophobicContact CG1-CG 4.37Å; I48-P378 HydrophobicContact CG2-CG 4.14Å; I48-R385 HydrophobicContact CD1-CG 4.18Å
49	C	98.8	Very high	98.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	155.8	179.4	-69.9	0	0	0	0	111.1	F56 E246 S279 D280	C49-F56 HydrophobicContact CB-CB 3.91Å; C49-F56 HydrophobicContact CB-CD2 3.71Å; C49-F56 HydrophobicContact CB-CE2 4.48Å; C49-F56 HydrophobicContact CB-CG 3.89Å; C49-F56 WeakPolarHBondContact SG-CD2 3.34Å; C49-E246 WeakPolarHBondContact CA-OE2 3.47Å; C49-E246 HydrophobicContact CB-CG 4.38Å; C49-E246 VanDerWaalsContact CB-OE2 3.27Å; C49-E246 WeakPolarHBondContact CB-OE2 3.25Å; C49-E246 PolarHBondContact SG-OE1 3.46Å; C49-E246 VanDerWaalsContact SG-OE1 3.33Å; C49-S279 CarbonylContact O-C 3.59Å; C49-S279 WeakPolarHBondContact O-CA 3.43Å; C49-S279 WeakPolarHBondContact O-CB 3.2Å; C49-S279 PolarHBondContact O-OG 3.43Å; C49-D280 PolarHBondContact N-O 2.75Å; C49-D280 VanDerWaalsContact N-O 3.1Å; C49-D280 PolarHBondContact O-N 3.44Å
50	R	98.5	Very high	98.3	Very high	52 Å²	52	26.2 Å²	26.2	20%	0.196	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	131.1	176.4	-59.5	-175.7	74.3	164.4	12	110	R53 G54 E246 Q277	R50-R53 HydrophobicContact CB-CG 4.35Å; R50-G54 WeakPolarHBondContact O-CA 3.43Å; R50-G54 PolarHBondContact O-N 3.08Å; R50-E246 HydrophobicContact CG-CB 4.37Å; R50-E246 PolarHBondContact N-OE2 3.18Å; R50-E246 VanDerWaalsContact N-OE2 3.14Å; R50-Q277 VanDerWaalsContact CZ-OE1 3.32Å
51	A	98	Very high	98.3	Very high	22 Å²	22	26.5 Å²	26.5	18%	0.182	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	144.5	-179.3	0	0	0	0	0	112.4	R53 M153 S154 V278	A51-R53 PolarHBondContact O-N 2.96Å; A51-R53 VanDerWaalsContact O-N 3.09Å; A51-M153 HydrophobicContact CB-CB 4.08Å; A51-S154 VanDerWaalsContact CA-OG 3.26Å; A51-S154 WeakPolarHBondContact CA-OG 3.37Å; A51-V278 HydrophobicContact CB-CB 4.14Å; A51-V278 HydrophobicContact CB-CG1 3.54Å; A51-V278 WeakPolarHBondContact CB-O 3.39Å; A51-V278 PolarHBondContact N-O 2.85Å
52	G	95.9	Very high	98.3	Very high	57 Å²	57	27.8 Å²	27.8	59%	0.588	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.1	-18.7	176.1	0	0	0	0	0	116	S154	G52-S154 PolarHBondContact N-OG 2.89Å
53	R	95.7	Very high	98.3	Very high	172 Å²	172	30.7 Å²	30.7	65%	0.649	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-140.2	-6.3	-176.4	63.4	172.8	170.6	-172.8	-10.6	115.5	R50 A51	R50-R53 HydrophobicContact CB-CG 4.35Å; A51-R53 PolarHBondContact O-N 2.96Å; A51-R53 VanDerWaalsContact O-N 3.09Å
54	G	97.4	Very high	98.3	Very high	7 Å²	7	30.7 Å²	30.7	7%	0.072	16%	0.162	C	C	.	.	S	Bend	trans	-83.5	178.2	179.4	0	0	0	0	0	113.2	R50 F56 K57 E246	R50-G54 WeakPolarHBondContact O-CA 3.43Å; R50-G54 PolarHBondContact O-N 3.08Å; G54-F56 PolarHBondContact O-N 2.95Å; G54-F56 VanDerWaalsContact O-N 3.16Å; G54-K57 WeakPolarHBondContact O-CB 3.5Å; G54-K57 VanDerWaalsContact O-CG 3.3Å; G54-K57 WeakPolarHBondContact O-CG 3.41Å; G54-K57 PolarHBondContact O-N 3.34Å; G54-K57 VanDerWaalsContact O-N 3.11Å; G54-E246 WeakPolarHBondContact CA-OE2 3.22Å
55	G	98.1	Very high	98.3	Very high	7 Å²	7	29.3 Å²	29.3	7%	0.072	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-16.9	-179.2	0	0	0	0	0	114.5	V230 E246	G55-V230 WeakPolarHBondContact O-CG1 3.24Å; G55-E246 WeakPolarHBondContact CA-OE1 3.39Å; G55-E246 PolarHBondContact N-OE1 3.16Å; G55-E246 PolarHBondContact N-OE2 3Å
56	F	98.6	Very high	98.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	9.5	176.1	-61.6	-25.2	0	0	0	114.6	A47 C49 G54 D58 T59 L64 V226 T228 V242 D280	A47-F56 VanDerWaalsContact O-CE2 3.27Å; A47-F56 WeakPolarHBondContact O-CE2 3.3Å; C49-F56 HydrophobicContact CB-CB 3.91Å; C49-F56 HydrophobicContact CB-CD2 3.71Å; C49-F56 HydrophobicContact CB-CE2 4.48Å; C49-F56 HydrophobicContact CB-CG 3.89Å; C49-F56 WeakPolarHBondContact SG-CD2 3.34Å; G54-F56 PolarHBondContact O-N 2.95Å; G54-F56 VanDerWaalsContact O-N 3.16Å; F56-D58 PolarHBondContact O-N 2.84Å; F56-D58 VanDerWaalsContact O-N 3.07Å; F56-T59 PolarHBondContact O-N 3.11Å; F56-L64 HydrophobicContact CB-CD2 4.38Å; F56-L64 HydrophobicContact CD1-CD2 3.87Å; F56-L64 HydrophobicContact CD2-CD1 4.27Å; F56-L64 HydrophobicContact CD2-CD2 3.64Å; F56-L64 HydrophobicContact CE1-CD2 3.96Å; F56-L64 HydrophobicContact CE2-CD2 3.72Å; F56-L64 HydrophobicContact CG-CD2 3.72Å; F56-L64 HydrophobicContact CZ-CD2 3.9Å; F56-V226 HydrophobicContact CE1-CB 3.76Å; F56-V226 HydrophobicContact CE1-CG1 3.83Å; F56-V226 HydrophobicContact CE1-CG2 4.37Å; F56-V226 HydrophobicContact CZ-CB 3.77Å; F56-V226 HydrophobicContact CZ-CG1 4.19Å; F56-V226 HydrophobicContact CZ-CG2 3.91Å; F56-T228 HydrophobicContact CD1-CG2 4.23Å; F56-T228 HydrophobicContact CE1-CG2 4.44Å; F56-V242 HydrophobicContact CD1-CG2 4.01Å; F56-V242 HydrophobicContact CE1-CB 3.63Å; F56-V242 HydrophobicContact CE1-CG1 4.1Å; F56-V242 HydrophobicContact CE1-CG2 3.53Å; F56-V242 HydrophobicContact CZ-CB 3.86Å; F56-V242 HydrophobicContact CZ-CG1 3.97Å; F56-V242 HydrophobicContact CZ-CG2 4.24Å; F56-D280 HydrophobicContact CB-CB 3.9Å; F56-D280 HydrophobicContact CD2-CB 4.39Å
57	K	97.8	Very high	98.3	Very high	49 Å²	49	31 Å²	31	21%	0.213	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-28.3	-177.6	71.3	-179.1	-175.7	65.7	0	114.2	G54 H231	G54-K57 WeakPolarHBondContact O-CB 3.5Å; G54-K57 VanDerWaalsContact O-CG 3.3Å; G54-K57 WeakPolarHBondContact O-CG 3.41Å; G54-K57 PolarHBondContact O-N 3.34Å; G54-K57 VanDerWaalsContact O-N 3.11Å; K57-H231 PolarHBondContact NZ-O 2.97Å
58	D	97.8	Very high	98.3	Very high	53 Å²	53	31 Å²	31	28%	0.283	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	5.2	179.3	-53.2	-44.7	0	0	0	112.6	F56 V230 H231	F56-D58 PolarHBondContact O-N 2.84Å; F56-D58 VanDerWaalsContact O-N 3.07Å; D58-V230 VanDerWaalsContact OD2-CA 3.25Å; D58-V230 WeakPolarHBondContact OD2-CA 3.44Å; D58-H231 PolarHBondContact OD2-N 2.91Å; D58-H231 IonicContact OD2-ND1 3.04Å; D58-H231 PolarHBondContact OD2-ND1 3.25Å
59	T	98.5	Very high	98.3	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.018	17%	0.17	C	C	.	.			trans	-92.6	124.7	-179.8	-49.6	0	0	0	0	109.5	F56 E63 L64 L155 T228	F56-T59 PolarHBondContact O-N 3.11Å; T59-E63 HydrophobicContact CG2-CB 3.84Å; T59-L64 HydrophobicContact CG2-CD2 3.64Å; T59-L64 HydrophobicContact CG2-CG 3.9Å; T59-L155 WeakPolarHBondContact O-CD1 3.48Å; T59-T228 WeakPolarHBondContact OG1-CB 3.34Å; T59-T228 WeakPolarHBondContact OG1-CG2 3.43Å; T59-T228 PolarHBondContact OG1-OG1 3.23Å
60	T	98.7	Very high	98.3	Very high	58 Å²	58	33.7 Å²	33.7	36%	0.356	19%	0.187	S	C	.	.			trans	-70	149.6	176.5	47.5	0	0	0	0	111.2	D62 E63 L64 L155	T60-D62 WeakPolarHBondContact CB-OD1 3.33Å; T60-D62 PolarHBondContact O-N 3.08Å; T60-D62 PolarHBondContact OG1-OD1 3.33Å; T60-E63 PolarHBondContact O-N 3.45Å; T60-L64 PolarHBondContact O-N 3Å; T60-L155 HydrophobicContact CG2-CD1 4.12Å
61	P	98.8	Very high	98.3	Very high	8 Å²	8	31.6 Å²	31.6	5%	0.052	18%	0.181	C	C	.	.	H	α-helix	trans	-64.7	-22.6	-177.5	24	-33.9	0	0	0	114.1	L65 M100 V150	P61-L65 VanDerWaalsContact O-CB 3.27Å; P61-L65 WeakPolarHBondContact O-CB 3.4Å; P61-L65 PolarHBondContact O-N 3.37Å; P61-M100 HydrophobicContact CB-CE 4.06Å; P61-M100 HydrophobicContact CB-CG 4.37Å; P61-M100 HydrophobicContact CB-SD 3.91Å; P61-M100 HydrophobicContact CG-CE 4.28Å; P61-M100 HydrophobicContact CG-CG 3.82Å; P61-M100 HydrophobicContact CG-SD 4.05Å; P61-V150 HydrophobicContact CB-CG2 3.88Å; P61-V150 WeakPolarHBondContact O-CG2 3.49Å
62	D	98.8	Very high	98.3	Very high	28 Å²	28	30.6 Å²	30.6	15%	0.15	17%	0.172	C	C	.	.	H	α-helix	trans	-67.4	-41.4	174.7	44.3	20.5	0	0	0	112.4	T60 L65 S66 M100 I103 A104 L107	T60-D62 WeakPolarHBondContact CB-OD1 3.33Å; T60-D62 PolarHBondContact O-N 3.08Å; T60-D62 PolarHBondContact OG1-OD1 3.33Å; D62-L65 PolarHBondContact O-N 3.38Å; D62-S66 VanDerWaalsContact O-CB 3.25Å; D62-S66 WeakPolarHBondContact O-CB 3.5Å; D62-S66 PolarHBondContact O-N 3.49Å; D62-M100 HydrophobicContact CB-CG 3.97Å; D62-M100 HydrophobicContact CB-SD 4.02Å; D62-M100 PolarHBondContact N-SD 2.66Å; D62-I103 HydrophobicContact CB-CG2 4.29Å; D62-A104 HydrophobicContact CB-CB 3.96Å; D62-A104 VanDerWaalsContact O-CB 3.27Å; D62-A104 WeakPolarHBondContact O-CB 3.14Å; D62-L107 HydrophobicContact CB-CD1 4.19Å
63	E	98.8	Very high	98.5	Very high	97 Å²	97	28.3 Å²	28.3	45%	0.453	15%	0.147	S	C	.	.	H	α-helix	trans	-62.6	-44.8	173.1	-69.3	-73	-172.2	0	0	111.6	T59 T60 L65 S66 A67	T59-E63 HydrophobicContact CG2-CB 3.84Å; T60-E63 PolarHBondContact O-N 3.45Å; E63-L65 VanDerWaalsContact C-N 3.34Å; E63-L65 PolarHBondContact O-N 3.08Å; E63-S66 PolarHBondContact O-N 2.92Å; E63-A67 PolarHBondContact O-N 3.16Å
64	L	98.9	Very high	98.6	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.3	-43.7	176.9	-62.8	-179.6	0	0	0	111.6	F56 T59 T60 V150 V226 D280 A282	F56-L64 HydrophobicContact CB-CD2 4.38Å; F56-L64 HydrophobicContact CD1-CD2 3.87Å; F56-L64 HydrophobicContact CD2-CD1 4.27Å; F56-L64 HydrophobicContact CD2-CD2 3.64Å; F56-L64 HydrophobicContact CE1-CD2 3.96Å; F56-L64 HydrophobicContact CE2-CD2 3.72Å; F56-L64 HydrophobicContact CG-CD2 3.72Å; F56-L64 HydrophobicContact CZ-CD2 3.9Å; T59-L64 HydrophobicContact CG2-CD2 3.64Å; T59-L64 HydrophobicContact CG2-CG 3.9Å; T60-L64 PolarHBondContact O-N 3Å; L64-V150 HydrophobicContact CB-CG2 4.3Å; L64-V226 HydrophobicContact CD2-CG1 4.4Å; L64-D280 HydrophobicContact CD1-CB 4.35Å; L64-A282 HydrophobicContact CB-CB 4Å; L64-A282 WeakPolarHBondContact O-CB 3.47Å
65	L	99	Very high	98.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-69.5	-42.3	179	-179.7	60	0	0	0	111.5	P61 D62 E63 A67 V68 M69 V88 M100 A101 A104 C148 V150	P61-L65 VanDerWaalsContact O-CB 3.27Å; P61-L65 WeakPolarHBondContact O-CB 3.4Å; P61-L65 PolarHBondContact O-N 3.37Å; D62-L65 PolarHBondContact O-N 3.38Å; E63-L65 VanDerWaalsContact C-N 3.34Å; E63-L65 PolarHBondContact O-N 3.08Å; L65-A67 VanDerWaalsContact C-N 3.31Å; L65-A67 PolarHBondContact O-N 2.94Å; L65-V68 HydrophobicContact CD1-CG2 4.22Å; L65-V68 WeakPolarHBondContact O-CG2 3.21Å; L65-V68 PolarHBondContact O-N 3.23Å; L65-M69 HydrophobicContact CD1-CG 4.14Å; L65-M69 HydrophobicContact CD1-SD 4.2Å; L65-M69 HydrophobicContact CD2-CE 4.37Å; L65-M69 HydrophobicContact CG-CE 3.83Å; L65-M69 HydrophobicContact CG-CG 4.37Å; L65-M69 HydrophobicContact CG-SD 4.06Å; L65-M69 WeakPolarHBondContact O-CG 3.27Å; L65-M69 PolarHBondContact O-N 3.03Å; L65-M69 VanDerWaalsContact O-N 3.08Å; L65-V88 HydrophobicContact CD1-CG1 4.33Å; L65-V88 HydrophobicContact CD2-CG1 3.86Å; L65-V88 HydrophobicContact CD2-CG2 4.11Å; L65-M100 HydrophobicContact CD2-SD 4.5Å; L65-A101 HydrophobicContact CD2-CB 4.04Å; L65-A104 HydrophobicContact CB-CB 3.89Å; L65-A104 HydrophobicContact CD2-CB 3.73Å; L65-A104 HydrophobicContact CG-CB 3.88Å; L65-C148 HydrophobicContact CD1-CB 3.59Å; L65-V150 HydrophobicContact CB-CB 4.3Å; L65-V150 HydrophobicContact CB-CG1 4.35Å; L65-V150 HydrophobicContact CB-CG2 4.3Å; L65-V150 HydrophobicContact CD1-CB 4.45Å; L65-V150 HydrophobicContact CD2-CG1 4.13Å
66	S	98.9	Very high	98.7	Very high	10 Å²	10	32.1 Å²	32.1	7%	0.07	17%	0.169	C	C	.	.	H	α-helix	trans	-58.2	-44.3	177.3	179.9	0	0	0	0	111.4	D62 E63 V68 M69 T70 L107 S108	D62-S66 VanDerWaalsContact O-CB 3.25Å; D62-S66 WeakPolarHBondContact O-CB 3.5Å; D62-S66 PolarHBondContact O-N 3.49Å; E63-S66 PolarHBondContact O-N 2.92Å; S66-V68 VanDerWaalsContact C-N 3.3Å; S66-V68 PolarHBondContact O-N 2.8Å; S66-M69 PolarHBondContact O-N 3.22Å; S66-T70 WeakPolarHBondContact O-CB 3.47Å; S66-T70 PolarHBondContact O-N 3.23Å; S66-T70 PolarHBondContact O-OG1 3.18Å; S66-T70 VanDerWaalsContact O-OG1 3.12Å; S66-L107 PolarHBondContact OG-O 3.02Å; S66-S108 VanDerWaalsContact CA-OG 3.23Å; S66-S108 WeakPolarHBondContact CA-OG 3.49Å; S66-S108 WeakPolarHBondContact CB-OG 3.43Å; S66-S108 PolarHBondContact O-OG 3.02Å; S66-S108 VanDerWaalsContact O-OG 3.13Å; S66-S108 PolarHBondContact OG-N 3.01Å; S66-S108 PolarHBondContact OG-OG 2.81Å
67	A	98.9	Very high	98.7	Very high	26 Å²	26	39.2 Å²	39.2	22%	0.215	21%	0.207	C	C	.	.	H	α-helix	trans	-55.9	-42.1	179.4	0	0	0	0	0	113.1	E63 L65 A71 V226	E63-A67 PolarHBondContact O-N 3.16Å; L65-A67 VanDerWaalsContact C-N 3.31Å; L65-A67 PolarHBondContact O-N 2.94Å; A67-A71 VanDerWaalsContact O-CB 3.25Å; A67-A71 WeakPolarHBondContact O-CB 3.5Å; A67-A71 PolarHBondContact O-N 3.25Å; A67-V226 HydrophobicContact CB-CG2 3.98Å
68	V	98.9	Very high	98.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-79	-35.3	-179.6	-65.7	0	0	0	0	112.9	T46 L65 S66 A71 V72 V224 A282 A284	T46-V68 HydrophobicContact CG2-CG1 3.73Å; L65-V68 HydrophobicContact CD1-CG2 4.22Å; L65-V68 WeakPolarHBondContact O-CG2 3.21Å; L65-V68 PolarHBondContact O-N 3.23Å; S66-V68 VanDerWaalsContact C-N 3.3Å; S66-V68 PolarHBondContact O-N 2.8Å; V68-A71 PolarHBondContact O-N 3.05Å; V68-V72 WeakPolarHBondContact O-CG2 3.39Å; V68-V72 PolarHBondContact O-N 2.94Å; V68-V224 HydrophobicContact CG1-CG1 3.77Å; V68-A282 HydrophobicContact CG1-CB 4.37Å; V68-A282 HydrophobicContact CG2-CB 3.87Å; V68-A284 HydrophobicContact CB-CB 3.88Å; V68-A284 HydrophobicContact CG2-CB 3.75Å
69	M	98.9	Very high	98.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-65.3	-48.7	176.9	-67.4	-169.8	-59.2	0	0	111	L65 S66 A71 V72 L73 I86 A104 Q105 I110 M146	L65-M69 HydrophobicContact CD1-CG 4.14Å; L65-M69 HydrophobicContact CD1-SD 4.2Å; L65-M69 HydrophobicContact CD2-CE 4.37Å; L65-M69 HydrophobicContact CG-CE 3.83Å; L65-M69 HydrophobicContact CG-CG 4.37Å; L65-M69 HydrophobicContact CG-SD 4.06Å; L65-M69 WeakPolarHBondContact O-CG 3.27Å; L65-M69 PolarHBondContact O-N 3.03Å; L65-M69 VanDerWaalsContact O-N 3.08Å; S66-M69 PolarHBondContact O-N 3.22Å; M69-A71 VanDerWaalsContact C-N 3.34Å; M69-A71 PolarHBondContact O-N 2.92Å; M69-V72 PolarHBondContact O-N 2.92Å; M69-L73 PolarHBondContact O-N 3.1Å; M69-I86 HydrophobicContact SD-CD1 4.47Å; M69-I86 HydrophobicContact SD-CG2 4.3Å; M69-A104 HydrophobicContact CE-CB 3.71Å; M69-A104 WeakPolarHBondContact CE-O 3.36Å; M69-Q105 HydrophobicContact CE-CB 4.45Å; M69-I110 HydrophobicContact CB-CD1 4.24Å; M69-I110 HydrophobicContact SD-CD1 4.46Å; M69-M146 HydrophobicContact CB-SD 3.92Å; M69-M146 HydrophobicContact CG-SD 3.61Å; M69-M146 HydrophobicContact SD-SD 4.35Å
70	T	98.9	Very high	98.7	Very high	58 Å²	58	43.1 Å²	43.1	36%	0.356	22%	0.222	S	C	.	.	H	α-helix	trans	-56.7	-46.7	174.2	-63.5	0	0	0	0	111.5	S66 V72 L73 K74 S108	S66-T70 WeakPolarHBondContact O-CB 3.47Å; S66-T70 PolarHBondContact O-N 3.23Å; S66-T70 PolarHBondContact O-OG1 3.18Å; S66-T70 VanDerWaalsContact O-OG1 3.12Å; T70-V72 PolarHBondContact O-N 2.88Å; T70-L73 PolarHBondContact O-N 3.27Å; T70-K74 VanDerWaalsContact O-CB 3.26Å; T70-K74 WeakPolarHBondContact O-CB 3.17Å; T70-K74 PolarHBondContact O-N 3.03Å; T70-S108 WeakPolarHBondContact OG1-CA 3.27Å; T70-S108 VanDerWaalsContact OG1-CB 3.23Å; T70-S108 WeakPolarHBondContact OG1-CB 3.25Å; T70-S108 PolarHBondContact OG1-OG 2.92Å
71	A	98.9	Very high	98.7	Very high	9 Å²	9	45.1 Å²	45.1	7%	0.074	23%	0.227	C	C	.	.	H	α-helix	trans	-62.8	-44.9	-177.9	0	0	0	0	0	112.5	R44 A67 V68 M69 K74 D75 V224	R44-A71 HydrophobicContact CB-CB 4.24Å; R44-A71 HydrophobicContact CG-CB 4.07Å; A67-A71 VanDerWaalsContact O-CB 3.25Å; A67-A71 WeakPolarHBondContact O-CB 3.5Å; A67-A71 PolarHBondContact O-N 3.25Å; V68-A71 PolarHBondContact O-N 3.05Å; M69-A71 VanDerWaalsContact C-N 3.34Å; M69-A71 PolarHBondContact O-N 2.92Å; A71-K74 PolarHBondContact O-N 3.24Å; A71-D75 WeakPolarHBondContact O-CB 3.42Å; A71-D75 PolarHBondContact O-N 3.35Å; A71-V224 HydrophobicContact CB-CB 4.02Å; A71-V224 HydrophobicContact CB-CG1 4.39Å; A71-V224 HydrophobicContact CB-CG2 3.74Å
72	V	98.9	Very high	98.7	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61.6	-48.1	-180	169.4	0	0	0	0	111.1	R44 V68 M69 T70 D75 V76 M146 A284 L286	R44-V72 HydrophobicContact CB-CG2 3.84Å; R44-V72 HydrophobicContact CG-CG2 3.85Å; V68-V72 WeakPolarHBondContact O-CG2 3.39Å; V68-V72 PolarHBondContact O-N 2.94Å; M69-V72 PolarHBondContact O-N 2.92Å; T70-V72 PolarHBondContact O-N 2.88Å; V72-D75 PolarHBondContact O-N 3.29Å; V72-V76 WeakPolarHBondContact O-CG2 3.38Å; V72-V76 PolarHBondContact O-N 3.05Å; V72-M146 HydrophobicContact CB-CE 4.38Å; V72-M146 HydrophobicContact CG1-CE 4.19Å; V72-A284 HydrophobicContact CG2-CB 3.95Å; V72-L286 HydrophobicContact CG1-CB 3.61Å; V72-L286 HydrophobicContact CG1-CD2 4.5Å
73	L	98.8	Very high	98.7	Very high	10 Å²	10	45.9 Å²	45.9	5%	0.052	23%	0.229	C	C	.	.	H	α-helix	trans	-63.4	-42.7	179.5	-68.8	173.9	0	0	0	112	M69 T70 N77 L78 P80 L83 I110 M146	M69-L73 PolarHBondContact O-N 3.1Å; T70-L73 PolarHBondContact O-N 3.27Å; L73-N77 WeakPolarHBondContact O-CA 3.41Å; L73-N77 PolarHBondContact O-N 3.17Å; L73-L78 HydrophobicContact CD2-CB 4.11Å; L73-L78 HydrophobicContact CD2-CD2 3.92Å; L73-L78 HydrophobicContact CD2-CG 4.46Å; L73-L78 PolarHBondContact O-N 3.07Å; L73-L78 VanDerWaalsContact O-N 3.13Å; L73-P80 HydrophobicContact CD1-CB 4.21Å; L73-P80 HydrophobicContact CD1-CG 4.17Å; L73-L83 HydrophobicContact CD1-CD1 4.29Å; L73-L83 HydrophobicContact CD2-CD1 4.15Å; L73-L83 HydrophobicContact CD2-CD2 4.43Å; L73-L83 HydrophobicContact CD2-CG 4.35Å; L73-I110 HydrophobicContact CD1-CD1 3.74Å; L73-I110 HydrophobicContact CD1-CG1 3.77Å; L73-M146 HydrophobicContact CD1-CE 4.17Å; L73-M146 HydrophobicContact CD2-CE 3.84Å; L73-M146 HydrophobicContact CG-CE 3.69Å
74	K	98.6	Very high	98.7	Very high	166 Å²	166	42.4 Å²	42.4	72%	0.722	22%	0.22	S	C	*	.	H	α-helix	trans	-64.2	-44	179	-174.3	176	-178.5	176	0	112.4	T70 A71 V76 N77	T70-K74 VanDerWaalsContact O-CB 3.26Å; T70-K74 WeakPolarHBondContact O-CB 3.17Å; T70-K74 PolarHBondContact O-N 3.03Å; A71-K74 PolarHBondContact O-N 3.24Å; K74-V76 VanDerWaalsContact C-N 3.27Å; K74-V76 PolarHBondContact O-N 3.42Å; K74-N77 PolarHBondContact O-N 3.32Å
75	D	98.7	Very high	98.7	Very high	78 Å²	78	43.7 Å²	43.7	42%	0.417	23%	0.227	S	C	.	.	H	α-helix	trans	-63.2	-32.8	-177.3	-74	-13.6	0	0	0	112.8	H42 R44 A71 V72	H42-D75 IonicContact CD2-OD2 2.96Å; H42-D75 IonicContact CE1-OD2 2.72Å; H42-D75 WeakPolarHBondContact NE2-CB 3.21Å; H42-D75 IonicContact NE2-OD2 3.25Å; H42-D75 PolarHBondContact NE2-OD2 3.1Å; R44-D75 VanDerWaalsContact CD-OD2 3.26Å; R44-D75 WeakPolarHBondContact CD-OD2 3.49Å; R44-D75 WeakPolarHBondContact CG-OD2 3.41Å; R44-D75 IonicContact CZ-OD2 3.33Å; R44-D75 IonicContact NE-OD2 3.22Å; R44-D75 VanDerWaalsContact NH1-CG 3.34Å; R44-D75 IonicContact NH1-OD1 3.1Å; R44-D75 PolarHBondContact NH1-OD1 3.1Å; R44-D75 IonicContact NH1-OD2 3.08Å; R44-D75 PolarHBondContact NH1-OD2 3.16Å; A71-D75 WeakPolarHBondContact O-CB 3.42Å; A71-D75 PolarHBondContact O-N 3.35Å; V72-D75 PolarHBondContact O-N 3.29Å
76	V	98.5	Very high	98.7	Very high	21 Å²	21	43.7 Å²	43.7	13%	0.127	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	2.9	178.9	-56.5	0	0	0	0	113.5	V41 H42 V72 K74 L78 L286 L298 P299	V41-V76 HydrophobicContact CG1-CG1 3.99Å; H42-V76 HydrophobicContact CB-CG1 3.54Å; V72-V76 WeakPolarHBondContact O-CG2 3.38Å; V72-V76 PolarHBondContact O-N 3.05Å; K74-V76 VanDerWaalsContact C-N 3.27Å; K74-V76 PolarHBondContact O-N 3.42Å; V76-L78 HydrophobicContact CG2-CB 3.78Å; V76-L78 PolarHBondContact O-N 2.95Å; V76-L286 HydrophobicContact CG2-CD2 3.67Å; V76-L298 HydrophobicContact CB-CD2 3.99Å; V76-L298 HydrophobicContact CG2-CD2 4.24Å; V76-P299 HydrophobicContact CG1-CG 4.47Å
77	N	98.3	Very high	98.7	Very high	149 Å²	149	43.3 Å²	43.3	80%	0.797	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.4	40.7	-177.9	-165.3	41.1	0	0	0	113.5	L73 K74	L73-N77 WeakPolarHBondContact O-CA 3.41Å; L73-N77 PolarHBondContact O-N 3.17Å; K74-N77 PolarHBondContact O-N 3.32Å
78	L	98.5	Very high	98.7	Very high	12 Å²	12	42 Å²	42	6%	0.063	21%	0.213	C	C	.	.			trans	-87.7	135.5	178.2	-169.9	79.5	0	0	0	109.6	L73 V76 Q82 L83 I144 L286 L296 L298	L73-L78 HydrophobicContact CD2-CB 4.11Å; L73-L78 HydrophobicContact CD2-CD2 3.92Å; L73-L78 HydrophobicContact CD2-CG 4.46Å; L73-L78 PolarHBondContact O-N 3.07Å; L73-L78 VanDerWaalsContact O-N 3.13Å; V76-L78 HydrophobicContact CG2-CB 3.78Å; V76-L78 PolarHBondContact O-N 2.95Å; L78-Q82 HydrophobicContact CD1-CB 4.29Å; L78-Q82 HydrophobicContact CD2-CB 4.45Å; L78-Q82 HydrophobicContact CG-CB 4.28Å; L78-L83 HydrophobicContact CD2-CD2 4.25Å; L78-I144 HydrophobicContact CD1-CD1 4.18Å; L78-I144 HydrophobicContact CD2-CG2 4.08Å; L78-L286 HydrophobicContact CD2-CD1 4.13Å; L78-L286 HydrophobicContact CD2-CD2 4.03Å; L78-L296 HydrophobicContact CD1-CD1 3.97Å; L78-L298 HydrophobicContact CD1-CD1 4.09Å; L78-L298 HydrophobicContact CD1-CD2 4.41Å
79	R	98.3	Very high	98.7	Very high	141 Å²	141	42 Å²	42	53%	0.532	21%	0.213	S	C	.	.			trans	-71.6	130.7	173.3	-61	-168.9	-59.2	-80.5	-2.1	109.9	E81 Q82	R79-E81 VanDerWaalsContact C-N 3.26Å; R79-E81 VanDerWaalsContact CB-OE1 3.26Å; R79-E81 WeakPolarHBondContact CB-OE1 3.43Å; R79-E81 WeakPolarHBondContact CB-OE2 3.43Å; R79-E81 VanDerWaalsContact CD-OE1 3.22Å; R79-E81 WeakPolarHBondContact CD-OE1 3.42Å; R79-E81 IonicContact NE-OE1 3.83Å; R79-E81 PolarHBondContact NE-OE1 3.22Å; R79-E81 PolarHBondContact O-N 3.42Å; R79-E81 VanDerWaalsContact O-N 3.17Å; R79-Q82 HydrophobicContact CB-CG 4.17Å; R79-Q82 WeakPolarHBondContact O-CB 3.48Å; R79-Q82 PolarHBondContact O-N 3.45Å
80	P	98.7	Very high	98.7	Very high	35 Å²	35	42 Å²	42	23%	0.227	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-54.1	-37.8	-173.9	-29.4	35.8	0	0	0	114.7	L73 Q82 L83 I110 V114	L73-P80 HydrophobicContact CD1-CB 4.21Å; L73-P80 HydrophobicContact CD1-CG 4.17Å; P80-Q82 PolarHBondContact O-N 3.25Å; P80-Q82 VanDerWaalsContact O-N 3.1Å; P80-L83 WeakPolarHBondContact O-CB 3.46Å; P80-L83 WeakPolarHBondContact O-CG 3.47Å; P80-L83 PolarHBondContact O-N 3.3Å; P80-L83 VanDerWaalsContact O-N 3.11Å; P80-I110 HydrophobicContact CB-CB 4.27Å; P80-I110 HydrophobicContact CB-CG1 4.16Å; P80-I110 HydrophobicContact CB-CG2 4.14Å; P80-V114 WeakPolarHBondContact O-CG2 3.49Å
81	E	98.5	Very high	98.7	Very high	99 Å²	99	40 Å²	40	46%	0.463	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-66.9	-8.4	-179.8	71.8	-80	-177.4	0	0	114.4	R79 L83 P111	R79-E81 VanDerWaalsContact C-N 3.26Å; R79-E81 VanDerWaalsContact CB-OE1 3.26Å; R79-E81 WeakPolarHBondContact CB-OE1 3.43Å; R79-E81 WeakPolarHBondContact CB-OE2 3.43Å; R79-E81 VanDerWaalsContact CD-OE1 3.22Å; R79-E81 WeakPolarHBondContact CD-OE1 3.42Å; R79-E81 IonicContact NE-OE1 3.83Å; R79-E81 PolarHBondContact NE-OE1 3.22Å; R79-E81 PolarHBondContact O-N 3.42Å; R79-E81 VanDerWaalsContact O-N 3.17Å; E81-L83 VanDerWaalsContact C-N 3.28Å; E81-P111 HydrophobicContact CB-CG 3.96Å
82	Q	98.6	Very high	98.6	Very high	47 Å²	47	41.5 Å²	41.5	22%	0.22	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-80.1	-10.6	173.4	-60.7	-175.3	-66.8	0	0	113	L78 R79 P80 G84	L78-Q82 HydrophobicContact CD1-CB 4.29Å; L78-Q82 HydrophobicContact CD2-CB 4.45Å; L78-Q82 HydrophobicContact CG-CB 4.28Å; R79-Q82 HydrophobicContact CB-CG 4.17Å; R79-Q82 WeakPolarHBondContact O-CB 3.48Å; R79-Q82 PolarHBondContact O-N 3.45Å; P80-Q82 PolarHBondContact O-N 3.25Å; P80-Q82 VanDerWaalsContact O-N 3.1Å; Q82-G84 PolarHBondContact O-N 3.34Å
83	L	98.9	Very high	98.5	Very high	6 Å²	6	43.5 Å²	43.5	3%	0.031	22%	0.217	C	C	.	.			trans	-71.1	125.7	172	-66.5	174.7	0	0	0	110	L73 L78 P80 E81 I86 I110 V114 I144 M146 L286	L73-L83 HydrophobicContact CD1-CD1 4.29Å; L73-L83 HydrophobicContact CD2-CD1 4.15Å; L73-L83 HydrophobicContact CD2-CD2 4.43Å; L73-L83 HydrophobicContact CD2-CG 4.35Å; L78-L83 HydrophobicContact CD2-CD2 4.25Å; P80-L83 WeakPolarHBondContact O-CB 3.46Å; P80-L83 WeakPolarHBondContact O-CG 3.47Å; P80-L83 PolarHBondContact O-N 3.3Å; P80-L83 VanDerWaalsContact O-N 3.11Å; E81-L83 VanDerWaalsContact C-N 3.28Å; L83-I86 HydrophobicContact CD1-CD1 4.16Å; L83-I86 HydrophobicContact CD1-CG1 4.21Å; L83-I110 HydrophobicContact CD1-CD1 4.32Å; L83-I110 HydrophobicContact CD1-CG2 4.35Å; L83-V114 HydrophobicContact CB-CG1 3.64Å; L83-V114 HydrophobicContact CB-CG2 4.13Å; L83-V114 HydrophobicContact CD1-CG1 4.36Å; L83-I144 HydrophobicContact CD2-CG2 4.09Å; L83-M146 HydrophobicContact CD1-CE 4.09Å; L83-M146 HydrophobicContact CD2-CB 4.15Å; L83-M146 HydrophobicContact CD2-CE 4.5Å; L83-L286 HydrophobicContact CD2-CD1 3.54Å
84	G	98.8	Very high	98.4	Very high	24 Å²	24	48.4 Å²	48.4	25%	0.247	25%	0.249	C	C	.	.	S	Bend	trans	-87	-21.9	174.2	0	0	0	0	0	114.3	Q82 P115 I144	Q82-G84 PolarHBondContact O-N 3.34Å; G84-P115 VanDerWaalsContact O-CD 3.27Å; G84-P115 WeakPolarHBondContact O-CD 3.27Å; G84-P115 WeakPolarHBondContact O-CG 3.23Å; G84-I144 PolarHBondContact N-O 2.91Å
85	D	98.9	Very high	98.3	Very high	27 Å²	27	43.7 Å²	43.7	14%	0.144	25%	0.248	C	C	.	.			trans	-162.6	155.6	173.2	-164.2	17.3	0	0	0	111.6	P115 I133 Y142 G145 M146	D85-P115 HydrophobicContact CB-CG 4.37Å; D85-I133 HydrophobicContact CB-CD1 4.08Å; D85-Y142 HydrophobicContact CB-CD1 4Å; D85-Y142 HydrophobicContact CB-CE1 3.4Å; D85-Y142 HydrophobicContact CB-CE2 4.24Å; D85-G145 VanDerWaalsContact O-CA 3.3Å; D85-G145 WeakPolarHBondContact O-CA 3.3Å; D85-M146 PolarHBondContact O-N 3.02Å
86	I	99	Very high	98.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	122.5	168.6	-57.7	176.9	0	0	0	108	M69 L83 V88 Q105 I110 V114 P115 L116 S117 M146	M69-I86 HydrophobicContact SD-CD1 4.47Å; M69-I86 HydrophobicContact SD-CG2 4.3Å; L83-I86 HydrophobicContact CD1-CD1 4.16Å; L83-I86 HydrophobicContact CD1-CG1 4.21Å; I86-V88 HydrophobicContact CG2-CG2 3.91Å; I86-Q105 HydrophobicContact CD1-CG 4.01Å; I86-I110 HydrophobicContact CD1-CD1 3.95Å; I86-I110 HydrophobicContact CD1-CG2 4.2Å; I86-V114 HydrophobicContact CD1-CG1 3.93Å; I86-V114 HydrophobicContact CG1-CG1 3.89Å; I86-P115 PolarHBondContact N-O 3.13Å; I86-P115 VanDerWaalsContact N-O 3.1Å; I86-L116 HydrophobicContact CB-CB 4.25Å; I86-L116 HydrophobicContact CB-CD1 3.99Å; I86-L116 HydrophobicContact CB-CG 4.06Å; I86-L116 HydrophobicContact CG2-CD1 3.76Å; I86-L116 HydrophobicContact CG2-CG 4.14Å; I86-L116 CarbonylContact O-C 3.49Å; I86-L116 VanDerWaalsContact O-CA 3.25Å; I86-L116 WeakPolarHBondContact O-CA 3.23Å; I86-S117 PolarHBondContact O-N 3.12Å; I86-M146 CarbonylContact C-O 3.58Å; I86-M146 WeakPolarHBondContact CA-O 3.25Å; I86-M146 HydrophobicContact CG1-CB 4.26Å
87	C	98.9	Very high	98.2	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.007	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	123.4	176.1	-166.7	0	0	0	0	109.9	S117 V119 A129 I133 M146 C148	C87-S117 WeakPolarHBondContact CA-O 3.38Å; C87-V119 VanDerWaalsContact SG-CG1 3.58Å; C87-A129 HydrophobicContact CB-CB 4.34Å; C87-A129 WeakPolarHBondContact O-CB 3.36Å; C87-I133 HydrophobicContact CB-CD1 3.67Å; C87-I133 HydrophobicContact CB-CG1 3.77Å; C87-M146 PolarHBondContact N-O 3.43Å; C87-C148 PolarHBondContact O-N 3.47Å
88	V	99	Very high	98.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	121.3	-174.6	-171.9	0	0	0	0	111.5	L65 I86 A101 L116 S117 T118 V119 C148 V150	L65-V88 HydrophobicContact CD1-CG1 4.33Å; L65-V88 HydrophobicContact CD2-CG1 3.86Å; L65-V88 HydrophobicContact CD2-CG2 4.11Å; I86-V88 HydrophobicContact CG2-CG2 3.91Å; V88-A101 HydrophobicContact CB-CB 4.2Å; V88-A101 HydrophobicContact CG1-CB 4.4Å; V88-A101 HydrophobicContact CG2-CB 3.94Å; V88-L116 HydrophobicContact CG2-CD1 4.21Å; V88-L116 HydrophobicContact CG2-CG 4.43Å; V88-S117 PolarHBondContact N-O 2.95Å; V88-T118 HydrophobicContact CB-CG2 4.24Å; V88-T118 CarbonylContact O-C 3.5Å; V88-T118 WeakPolarHBondContact O-CA 3.5Å; V88-V119 PolarHBondContact O-N 3.24Å; V88-C148 HydrophobicContact CB-CB 4.41Å; V88-C148 HydrophobicContact CG1-CB 4.18Å; V88-C148 HydrophobicContact CG2-CB 4.07Å; V88-V150 HydrophobicContact CG1-CG1 3.86Å
89	G	98.9	Very high	98.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	117.1	170.8	0	0	0	0	0	112.1	V119 C148 G149 V150 G380	G89-V119 WeakPolarHBondContact CA-O 3.36Å; G89-C148 PolarHBondContact N-O 3.37Å; G89-G149 CarbonylContact O-C 3.46Å; G89-G149 VanDerWaalsContact O-CA 3.25Å; G89-G149 WeakPolarHBondContact O-CA 3.41Å; G89-V150 PolarHBondContact O-N 3.35Å; G89-G380 CarbonylContact O-C 3.54Å
90	N	98.8	Very high	98.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	22%	0.218	C	C	.	.			trans	-145.2	147.6	173	177.8	-88.8	0	0	0	110.4	L92 Q93 A96 V119 N120 V150 E151	N90-L92 PolarHBondContact OD1-N 3.14Å; N90-Q93 WeakPolarHBondContact OD1-CB 3.21Å; N90-Q93 PolarHBondContact OD1-N 3.12Å; N90-A96 WeakPolarHBondContact CB-O 3.43Å; N90-V119 PolarHBondContact N-O 3.26Å; N90-N120 WeakPolarHBondContact O-CB 3.11Å; N90-V150 PolarHBondContact ND2-O 3.08Å; N90-E151 PolarHBondContact ND2-OE1 3.04Å
91	V	98.2	Very high	98.3	Very high	15 Å²	15	33.2 Å²	33.2	9%	0.091	21%	0.207	C	C	.	.	S	Bend	trans	-108.9	-48.8	-176.3	-174.9	0	0	0	0	112.6	N120 Q122 E151 L379	V91-N120 PolarHBondContact O-ND2 3.14Å; V91-Q122 WeakPolarHBondContact CG2-O 3.46Å; V91-E151 VanDerWaalsContact CB-OE2 3.31Å; V91-E151 WeakPolarHBondContact CB-OE2 3.38Å; V91-E151 PolarHBondContact N-OE2 3.02Å; V91-L379 HydrophobicContact CB-CB 4.18Å; V91-L379 HydrophobicContact CB-CD1 4.16Å; V91-L379 HydrophobicContact CG1-CD1 4.16Å; V91-L379 HydrophobicContact CG2-CB 3.81Å
92	L	97.6	Very high	98.3	Very high	40 Å²	40	31.5 Å²	31.5	21%	0.209	20%	0.196	C	C	.	.	S	Bend	trans	-97.2	-16.4	-162.1	-59.2	172.9	0	0	0	114.9	N90 E151 M153 A156 R158 L379	N90-L92 PolarHBondContact OD1-N 3.14Å; L92-E151 HydrophobicContact CD1-CG 4.22Å; L92-E151 PolarHBondContact N-OE1 3.24Å; L92-M153 HydrophobicContact CD1-CE 4.23Å; L92-M153 HydrophobicContact CD1-CG 3.97Å; L92-A156 HydrophobicContact CB-CB 3.43Å; L92-A156 VanDerWaalsContact CB-CB 3.43Å; L92-A156 HydrophobicContact CD1-CB 4.02Å; L92-A156 HydrophobicContact CG-CB 4.38Å; L92-R158 HydrophobicContact CD1-CG 3.88Å; L92-L379 HydrophobicContact CD1-CD1 4.01Å; L92-L379 HydrophobicContact CD2-CD1 4.14Å; L92-L379 HydrophobicContact CG-CD1 3.98Å
93	Q	97	Very high	98.3	Very high	43 Å²	43	32.8 Å²	32.8	20%	0.201	20%	0.204	C	C	.	.	S	Bend	trans	-71.1	146.8	178.7	-68.4	-68.6	-39.3	0	0	110.8	N90 G95 A96 M100	N90-Q93 WeakPolarHBondContact OD1-CB 3.21Å; N90-Q93 PolarHBondContact OD1-N 3.12Å; Q93-G95 PolarHBondContact O-N 2.99Å; Q93-A96 WeakPolarHBondContact O-CA 3.44Å; Q93-A96 PolarHBondContact O-N 2.9Å; Q93-M100 HydrophobicContact CG-CE 4.33Å
94	P	95.7	Very high	98.3	Very high	113 Å²	113	32.5 Å²	32.5	73%	0.734	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-51.5	132.9	170.7	-26.1	34.9	0	0	0	111.5	A96 G97	P94-A96 PolarHBondContact O-N 3.13Å; P94-G97 PolarHBondContact O-N 3.24Å
95	G	96	Very high	98.3	Very high	67 Å²	67	31.4 Å²	31.4	69%	0.691	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	60.1	28.3	-176.7	0	0	0	0	0	113.9	Q93 G97	Q93-G95 PolarHBondContact O-N 2.99Å; G95-G97 PolarHBondContact O-N 2.92Å; G95-G97 VanDerWaalsContact O-N 3.14Å
96	A	97.7	Very high	98.3	Very high	16 Å²	16	34.7 Å²	34.7	13%	0.132	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	55.6	24.1	-172.2	0	0	0	0	0	113.6	N90 Q93 P94 T118 N120	N90-A96 WeakPolarHBondContact CB-O 3.43Å; Q93-A96 WeakPolarHBondContact O-CA 3.44Å; Q93-A96 PolarHBondContact O-N 2.9Å; P94-A96 PolarHBondContact O-N 3.13Å; A96-T118 WeakPolarHBondContact O-CB 3.37Å; A96-T118 VanDerWaalsContact O-CG2 3.3Å; A96-T118 WeakPolarHBondContact O-CG2 3.38Å; A96-N120 HydrophobicContact CB-CB 4.06Å
97	G	98.2	Very high	98.3	Very high	3 Å²	3	38.5 Å²	38.5	3%	0.031	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	78.2	23.1	171.8	0	0	0	0	0	115.6	P94 G95 I99 M100 A101	P94-G97 PolarHBondContact O-N 3.24Å; G95-G97 PolarHBondContact O-N 2.92Å; G95-G97 VanDerWaalsContact O-N 3.14Å; G97-I99 VanDerWaalsContact C-N 3.34Å; G97-I99 PolarHBondContact O-N 2.84Å; G97-M100 PolarHBondContact O-N 2.96Å; G97-A101 WeakPolarHBondContact O-CB 3.36Å; G97-A101 PolarHBondContact O-N 2.81Å
98	A	98.7	Very high	98.3	Very high	44 Å²	44	39 Å²	39	36%	0.364	23%	0.227	S	C	.	.	H	α-helix	trans	-55.1	-44.6	-178	0	0	0	0	0	113.8	R102 T118	A98-R102 WeakPolarHBondContact O-CB 3.47Å; A98-R102 PolarHBondContact O-N 2.9Å; A98-R102 VanDerWaalsContact O-N 3.07Å; A98-T118 HydrophobicContact CB-CG2 4.13Å
99	I	98.7	Very high	98.3	Very high	136 Å²	136	45.8 Å²	45.8	70%	0.697	26%	0.263	S	S	*	.	H	α-helix	trans	-63.5	-49.3	176.8	-62.7	175.9	0	0	0	110.5	G97 A101 R102 I103	G97-I99 VanDerWaalsContact C-N 3.34Å; G97-I99 PolarHBondContact O-N 2.84Å; I99-A101 VanDerWaalsContact C-N 3.35Å; I99-A101 PolarHBondContact O-N 2.92Å; I99-R102 PolarHBondContact O-N 2.84Å; I99-I103 HydrophobicContact CG2-CD1 3.99Å; I99-I103 WeakPolarHBondContact O-CG1 3.28Å; I99-I103 PolarHBondContact O-N 2.84Å
100	M	98.7	Very high	98.3	Very high	17 Å²	17	45.8 Å²	45.8	8%	0.084	26%	0.264	C	S	.	.	H	α-helix	trans	-58.5	-44.7	179.2	175	-76.2	-66	0	0	111.9	P61 D62 L65 Q93 G97 R102 I103 A104 V150	P61-M100 HydrophobicContact CB-CE 4.06Å; P61-M100 HydrophobicContact CB-CG 4.37Å; P61-M100 HydrophobicContact CB-SD 3.91Å; P61-M100 HydrophobicContact CG-CE 4.28Å; P61-M100 HydrophobicContact CG-CG 3.82Å; P61-M100 HydrophobicContact CG-SD 4.05Å; D62-M100 HydrophobicContact CB-CG 3.97Å; D62-M100 HydrophobicContact CB-SD 4.02Å; D62-M100 PolarHBondContact N-SD 2.66Å; L65-M100 HydrophobicContact CD2-SD 4.5Å; Q93-M100 HydrophobicContact CG-CE 4.33Å; G97-M100 PolarHBondContact O-N 2.96Å; M100-R102 VanDerWaalsContact C-N 3.34Å; M100-R102 PolarHBondContact O-N 3.42Å; M100-I103 WeakPolarHBondContact O-CB 3.32Å; M100-I103 PolarHBondContact O-N 2.85Å; M100-A104 PolarHBondContact O-N 3.04Å; M100-V150 HydrophobicContact CE-CG1 3.71Å
101	A	98.9	Very high	98.3	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-65.4	-37.8	179	0	0	0	0	0	112	L65 V88 G97 I99 A104 Q105 L116 T118	L65-A101 HydrophobicContact CD2-CB 4.04Å; V88-A101 HydrophobicContact CB-CB 4.2Å; V88-A101 HydrophobicContact CG1-CB 4.4Å; V88-A101 HydrophobicContact CG2-CB 3.94Å; G97-A101 WeakPolarHBondContact O-CB 3.36Å; G97-A101 PolarHBondContact O-N 2.81Å; I99-A101 VanDerWaalsContact C-N 3.35Å; I99-A101 PolarHBondContact O-N 2.92Å; A101-A104 WeakPolarHBondContact O-CB 3.4Å; A101-A104 PolarHBondContact O-N 3.14Å; A101-Q105 PolarHBondContact O-N 3.13Å; A101-L116 HydrophobicContact CB-CD1 4.06Å; A101-L116 HydrophobicContact CB-CD2 3.63Å; A101-L116 HydrophobicContact CB-CG 4.48Å; A101-L116 WeakPolarHBondContact O-CD1 3.37Å; A101-T118 HydrophobicContact CB-CG2 4.07Å
102	R	98.9	Very high	98.3	Very high	62 Å²	62	54.4 Å²	54.4	23%	0.234	31%	0.306	C	S	.	.	H	α-helix	trans	-69.1	-35.6	175	-168.6	59.9	172.9	-161.9	1.4	112.5	A98 I99 M100 Q105 F106 E112 V114	A98-R102 WeakPolarHBondContact O-CB 3.47Å; A98-R102 PolarHBondContact O-N 2.9Å; A98-R102 VanDerWaalsContact O-N 3.07Å; I99-R102 PolarHBondContact O-N 2.84Å; M100-R102 VanDerWaalsContact C-N 3.34Å; M100-R102 PolarHBondContact O-N 3.42Å; R102-Q105 VanDerWaalsContact CD-OE1 3.22Å; R102-Q105 WeakPolarHBondContact O-CB 3.25Å; R102-Q105 PolarHBondContact O-N 3.42Å; R102-F106 HydrophobicContact CG-CD2 4.38Å; R102-F106 HydrophobicContact CG-CE2 3.82Å; R102-F106 HydrophobicContact CG-CZ 4.42Å; R102-F106 WeakPolarHBondContact O-CD2 3.34Å; R102-F106 PolarHBondContact O-N 3.28Å; R102-E112 PolarHBondContact NH2-O 3.38Å; R102-V114 PolarHBondContact NH1-O 2.98Å; R102-V114 PolarHBondContact NH2-O 2.97Å
103	I	98.8	Very high	98.3	Very high	75 Å²	75	57.6 Å²	57.6	39%	0.385	33%	0.328	S	S	.	.	H	α-helix	trans	-61.9	-48.2	170.5	-69.5	167.6	0	0	0	109.9	D62 I99 M100 Q105 F106 L107	D62-I103 HydrophobicContact CB-CG2 4.29Å; I99-I103 HydrophobicContact CG2-CD1 3.99Å; I99-I103 WeakPolarHBondContact O-CG1 3.28Å; I99-I103 PolarHBondContact O-N 2.84Å; M100-I103 WeakPolarHBondContact O-CB 3.32Å; M100-I103 PolarHBondContact O-N 2.85Å; I103-Q105 VanDerWaalsContact C-N 3.26Å; I103-Q105 PolarHBondContact O-N 2.99Å; I103-F106 PolarHBondContact O-N 3.1Å; I103-L107 HydrophobicContact CG2-CD1 4.01Å; I103-L107 HydrophobicContact CG2-CG 4.17Å; I103-L107 WeakPolarHBondContact O-CG 3.4Å; I103-L107 PolarHBondContact O-N 2.74Å
104	A	98.9	Very high	98.4	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-56.1	-40	177.4	0	0	0	0	0	112.8	D62 L65 M69 M100 A101 F106 L107 S108	D62-A104 HydrophobicContact CB-CB 3.96Å; D62-A104 VanDerWaalsContact O-CB 3.27Å; D62-A104 WeakPolarHBondContact O-CB 3.14Å; L65-A104 HydrophobicContact CB-CB 3.89Å; L65-A104 HydrophobicContact CD2-CB 3.73Å; L65-A104 HydrophobicContact CG-CB 3.88Å; M69-A104 HydrophobicContact CE-CB 3.71Å; M69-A104 WeakPolarHBondContact CE-O 3.36Å; M100-A104 PolarHBondContact O-N 3.04Å; A101-A104 WeakPolarHBondContact O-CB 3.4Å; A101-A104 PolarHBondContact O-N 3.14Å; A104-F106 VanDerWaalsContact C-N 3.33Å; A104-F106 PolarHBondContact O-N 3.25Å; A104-L107 PolarHBondContact O-N 3.17Å; A104-S108 PolarHBondContact O-N 3.07Å; A104-S108 VanDerWaalsContact O-N 3.1Å; A104-S108 PolarHBondContact O-OG 3.29Å
105	Q	98.9	Very high	98.6	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-57.2	-47.4	175.6	175.3	-174	-21.8	0	0	111.1	M69 I86 A101 R102 I103 S108 I110 P111 V114 L116	M69-Q105 HydrophobicContact CE-CB 4.45Å; I86-Q105 HydrophobicContact CD1-CG 4.01Å; A101-Q105 PolarHBondContact O-N 3.13Å; R102-Q105 VanDerWaalsContact CD-OE1 3.22Å; R102-Q105 WeakPolarHBondContact O-CB 3.25Å; R102-Q105 PolarHBondContact O-N 3.42Å; I103-Q105 VanDerWaalsContact C-N 3.26Å; I103-Q105 PolarHBondContact O-N 2.99Å; Q105-S108 WeakPolarHBondContact O-CB 3.21Å; Q105-S108 PolarHBondContact O-N 3.33Å; Q105-S108 VanDerWaalsContact O-N 3.16Å; Q105-I110 HydrophobicContact CG-CB 3.59Å; Q105-I110 HydrophobicContact CG-CD1 4.37Å; Q105-I110 HydrophobicContact CG-CG2 3.77Å; Q105-I110 PolarHBondContact O-N 3.06Å; Q105-I110 VanDerWaalsContact O-N 3.14Å; Q105-P111 PolarHBondContact NE2-O 2.79Å; Q105-V114 PolarHBondContact NE2-O 2.98Å; Q105-L116 HydrophobicContact CB-CD1 4.16Å
106	F	98.9	Very high	98.7	Very high	96 Å²	96	51.5 Å²	51.5	42%	0.421	28%	0.278	S	S	.	.	H	α-helix	trans	-71.5	-32.7	178.4	-64.4	-46.7	0	0	0	113	R102 I103 A104 S108 D109 E112	R102-F106 HydrophobicContact CG-CD2 4.38Å; R102-F106 HydrophobicContact CG-CE2 3.82Å; R102-F106 HydrophobicContact CG-CZ 4.42Å; R102-F106 WeakPolarHBondContact O-CD2 3.34Å; R102-F106 PolarHBondContact O-N 3.28Å; I103-F106 PolarHBondContact O-N 3.1Å; A104-F106 VanDerWaalsContact C-N 3.33Å; A104-F106 PolarHBondContact O-N 3.25Å; F106-S108 PolarHBondContact O-N 3.24Å; F106-D109 PolarHBondContact O-N 3.46Å; F106-E112 HydrophobicContact CE1-CB 3.92Å; F106-E112 HydrophobicContact CZ-CB 4.13Å
107	L	98.8	Very high	98.8	Very high	81 Å²	81	53 Å²	53	42%	0.424	29%	0.287	S	S	.	.	H	α-helix	trans	-63.2	-20	170	-67	176.5	0	0	0	112.8	D62 S66 I103 A104	D62-L107 HydrophobicContact CB-CD1 4.19Å; S66-L107 PolarHBondContact OG-O 3.02Å; I103-L107 HydrophobicContact CG2-CD1 4.01Å; I103-L107 HydrophobicContact CG2-CG 4.17Å; I103-L107 WeakPolarHBondContact O-CG 3.4Å; I103-L107 PolarHBondContact O-N 2.74Å; A104-L107 PolarHBondContact O-N 3.17Å
108	S	98.8	Very high	98.8	Very high	10 Å²	10	54.4 Å²	54.4	7%	0.07	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	9.7	173.6	-57.5	0	0	0	0	113.6	S66 T70 A104 Q105 F106 I110	S66-S108 VanDerWaalsContact CA-OG 3.23Å; S66-S108 WeakPolarHBondContact CA-OG 3.49Å; S66-S108 WeakPolarHBondContact CB-OG 3.43Å; S66-S108 PolarHBondContact O-OG 3.02Å; S66-S108 VanDerWaalsContact O-OG 3.13Å; S66-S108 PolarHBondContact OG-N 3.01Å; S66-S108 PolarHBondContact OG-OG 2.81Å; T70-S108 WeakPolarHBondContact OG1-CA 3.27Å; T70-S108 VanDerWaalsContact OG1-CB 3.23Å; T70-S108 WeakPolarHBondContact OG1-CB 3.25Å; T70-S108 PolarHBondContact OG1-OG 2.92Å; A104-S108 PolarHBondContact O-N 3.07Å; A104-S108 VanDerWaalsContact O-N 3.1Å; A104-S108 PolarHBondContact O-OG 3.29Å; Q105-S108 WeakPolarHBondContact O-CB 3.21Å; Q105-S108 PolarHBondContact O-N 3.33Å; Q105-S108 VanDerWaalsContact O-N 3.16Å; F106-S108 PolarHBondContact O-N 3.24Å; S108-I110 PolarHBondContact O-N 3.16Å; S108-I110 VanDerWaalsContact O-N 3.12Å
109	D	98.6	Very high	98.8	Very high	143 Å²	143	53.7 Å²	53.7	77%	0.765	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	25.5	-175.1	-60.3	-53.1	0	0	0	114.1	F106	F106-D109 PolarHBondContact O-N 3.46Å
110	I	98.8	Very high	98.8	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	27%	0.272	C	S	.	.			trans	-80.2	124.2	172.9	-57.4	173.1	0	0	0	107.9	M69 L73 P80 L83 I86 Q105 S108 V114	M69-I110 HydrophobicContact CB-CD1 4.24Å; M69-I110 HydrophobicContact SD-CD1 4.46Å; L73-I110 HydrophobicContact CD1-CD1 3.74Å; L73-I110 HydrophobicContact CD1-CG1 3.77Å; P80-I110 HydrophobicContact CB-CB 4.27Å; P80-I110 HydrophobicContact CB-CG1 4.16Å; P80-I110 HydrophobicContact CB-CG2 4.14Å; L83-I110 HydrophobicContact CD1-CD1 4.32Å; L83-I110 HydrophobicContact CD1-CG2 4.35Å; I86-I110 HydrophobicContact CD1-CD1 3.95Å; I86-I110 HydrophobicContact CD1-CG2 4.2Å; Q105-I110 HydrophobicContact CG-CB 3.59Å; Q105-I110 HydrophobicContact CG-CD1 4.37Å; Q105-I110 HydrophobicContact CG-CG2 3.77Å; Q105-I110 PolarHBondContact O-N 3.06Å; Q105-I110 VanDerWaalsContact O-N 3.14Å; S108-I110 PolarHBondContact O-N 3.16Å; S108-I110 VanDerWaalsContact O-N 3.12Å; I110-V114 HydrophobicContact CG2-CB 3.86Å; I110-V114 HydrophobicContact CG2-CG1 4.1Å; I110-V114 HydrophobicContact CG2-CG2 3.83Å
111	P	98.7	Very high	98.8	Very high	43 Å²	43	54.1 Å²	54.1	28%	0.279	28%	0.284	S	S	.	.			trans	-68.2	159.7	-167.5	26.5	-33.8	0	0	0	112.9	E81 Q105 T113 V114	E81-P111 HydrophobicContact CB-CG 3.96Å; Q105-P111 PolarHBondContact NE2-O 2.79Å; P111-T113 PolarHBondContact O-N 2.87Å; P111-T113 VanDerWaalsContact O-N 3.12Å; P111-V114 HydrophobicContact CG-CG2 4.21Å; P111-V114 PolarHBondContact O-N 3.4Å; P111-V114 VanDerWaalsContact O-N 3.12Å
112	E	98.7	Very high	98.7	Very high	152 Å²	152	57 Å²	57	71%	0.71	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-21.7	-180	62.5	-177.7	-165.2	0	0	114.3	R102 F106 V114	R102-E112 PolarHBondContact NH2-O 3.38Å; F106-E112 HydrophobicContact CE1-CB 3.92Å; F106-E112 HydrophobicContact CZ-CB 4.13Å; E112-V114 VanDerWaalsContact C-N 3.27Å; E112-V114 PolarHBondContact O-N 3.17Å
113	T	98.8	Very high	98.7	Very high	108 Å²	108	54.1 Å²	54.1	66%	0.663	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-23.3	177.5	54.6	0	0	0	0	113.3	P111	P111-T113 PolarHBondContact O-N 2.87Å; P111-T113 VanDerWaalsContact O-N 3.12Å
114	V	98.9	Very high	98.7	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.006	27%	0.268	C	S	.	.	S	Bend	trans	-80.9	121.3	175.6	178.3	0	0	0	0	108.2	P80 L83 I86 R102 Q105 I110 P111 E112	P80-V114 WeakPolarHBondContact O-CG2 3.49Å; L83-V114 HydrophobicContact CB-CG1 3.64Å; L83-V114 HydrophobicContact CB-CG2 4.13Å; L83-V114 HydrophobicContact CD1-CG1 4.36Å; I86-V114 HydrophobicContact CD1-CG1 3.93Å; I86-V114 HydrophobicContact CG1-CG1 3.89Å; R102-V114 PolarHBondContact NH1-O 2.98Å; R102-V114 PolarHBondContact NH2-O 2.97Å; Q105-V114 PolarHBondContact NE2-O 2.98Å; I110-V114 HydrophobicContact CG2-CB 3.86Å; I110-V114 HydrophobicContact CG2-CG1 4.1Å; I110-V114 HydrophobicContact CG2-CG2 3.83Å; P111-V114 HydrophobicContact CG-CG2 4.21Å; P111-V114 PolarHBondContact O-N 3.4Å; P111-V114 VanDerWaalsContact O-N 3.12Å; E112-V114 VanDerWaalsContact C-N 3.27Å; E112-V114 PolarHBondContact O-N 3.17Å
115	P	98.9	Very high	98.6	Very high	61 Å²	61	50.5 Å²	50.5	40%	0.396	27%	0.268	S	S	.	.			trans	-76.8	164.4	178.9	31.7	-33.1	0	0	0	112	G84 D85 I86	G84-P115 VanDerWaalsContact O-CD 3.27Å; G84-P115 WeakPolarHBondContact O-CD 3.27Å; G84-P115 WeakPolarHBondContact O-CG 3.23Å; D85-P115 HydrophobicContact CB-CG 4.37Å; I86-P115 PolarHBondContact N-O 3.13Å; I86-P115 VanDerWaalsContact N-O 3.1Å
116	L	98.9	Very high	98.6	Very high	33 Å²	33	50.5 Å²	50.5	17%	0.173	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	142.5	177.6	-175.3	149.3	0	0	0	111.5	I86 V88 A101 Q105 T118	I86-L116 HydrophobicContact CB-CB 4.25Å; I86-L116 HydrophobicContact CB-CD1 3.99Å; I86-L116 HydrophobicContact CB-CG 4.06Å; I86-L116 HydrophobicContact CG2-CD1 3.76Å; I86-L116 HydrophobicContact CG2-CG 4.14Å; I86-L116 CarbonylContact O-C 3.49Å; I86-L116 VanDerWaalsContact O-CA 3.25Å; I86-L116 WeakPolarHBondContact O-CA 3.23Å; V88-L116 HydrophobicContact CG2-CD1 4.21Å; V88-L116 HydrophobicContact CG2-CG 4.43Å; A101-L116 HydrophobicContact CB-CD1 4.06Å; A101-L116 HydrophobicContact CB-CD2 3.63Å; A101-L116 HydrophobicContact CB-CG 4.48Å; A101-L116 WeakPolarHBondContact O-CD1 3.37Å; Q105-L116 HydrophobicContact CB-CD1 4.16Å; L116-T118 HydrophobicContact CD2-CG2 4.45Å
117	S	98.9	Very high	98.6	Very high	47 Å²	47	46 Å²	46	33%	0.329	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	163.5	170.8	67.4	0	0	0	0	112	I86 C87 V88	I86-S117 PolarHBondContact O-N 3.12Å; C87-S117 WeakPolarHBondContact CA-O 3.38Å; V88-S117 PolarHBondContact N-O 2.95Å
118	T	98.9	Very high	98.7	Very high	33 Å²	33	43.5 Å²	43.5	20%	0.202	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	145.9	172.9	53.3	0	0	0	0	111.1	V88 A96 A98 A101 L116	V88-T118 HydrophobicContact CB-CG2 4.24Å; V88-T118 CarbonylContact O-C 3.5Å; V88-T118 WeakPolarHBondContact O-CA 3.5Å; A96-T118 WeakPolarHBondContact O-CB 3.37Å; A96-T118 VanDerWaalsContact O-CG2 3.3Å; A96-T118 WeakPolarHBondContact O-CG2 3.38Å; A98-T118 HydrophobicContact CB-CG2 4.13Å; A101-T118 HydrophobicContact CB-CG2 4.07Å; L116-T118 HydrophobicContact CD2-CG2 4.45Å
119	V	98.8	Very high	98.7	Very high	29 Å²	29	43 Å²	43	18%	0.176	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	140.4	176.3	-66.6	0	0	0	0	110.5	C87 V88 G89 N90 Q128 A129	C87-V119 VanDerWaalsContact SG-CG1 3.58Å; V88-V119 PolarHBondContact O-N 3.24Å; G89-V119 WeakPolarHBondContact CA-O 3.36Å; N90-V119 PolarHBondContact N-O 3.26Å; V119-Q128 HydrophobicContact CB-CG 4.26Å; V119-Q128 HydrophobicContact CG2-CB 4.38Å; V119-Q128 HydrophobicContact CG2-CG 4.11Å; V119-A129 HydrophobicContact CG2-CB 3.98Å
120	N	98.5	Very high	98.7	Very high	75 Å²	75	36.3 Å²	36.3	40%	0.401	20%	0.196	S	C	.	.			trans	-125.7	107.8	172.6	-173	-15.7	0	0	0	109.7	N90 V91 A96 Q122	N90-N120 WeakPolarHBondContact O-CB 3.11Å; V91-N120 PolarHBondContact O-ND2 3.14Å; A96-N120 HydrophobicContact CB-CB 4.06Å; N120-Q122 PolarHBondContact OD1-N 3.45Å
121	R	98.5	Very high	98.7	Very high	86 Å²	86	37 Å²	37	33%	0.325	20%	0.202	S	C	.	.			trans	-126.1	50.8	163.8	-165.9	-176.9	-66	-72.9	-4.3	108.7	C123 S124 S125 Q128 I409 M413	R121-C123 PolarHBondContact O-N 2.96Å; R121-S124 WeakPolarHBondContact CB-OG 3.33Å; R121-S124 WeakPolarHBondContact CD-OG 3.43Å; R121-S124 WeakPolarHBondContact CG-OG 3.41Å; R121-S124 PolarHBondContact O-N 2.94Å; R121-S124 VanDerWaalsContact O-N 3.12Å; R121-S124 PolarHBondContact O-OG 3.33Å; R121-S125 PolarHBondContact N-OG 3.43Å; R121-Q128 HydrophobicContact CB-CB 4.27Å; R121-Q128 HydrophobicContact CB-CG 4.27Å; R121-I409 HydrophobicContact CG-CD1 4.34Å; R121-I409 HydrophobicContact CG-CG2 4.35Å; R121-I409 WeakPolarHBondContact O-CG2 3.26Å; R121-M413 HydrophobicContact CG-CE 4.43Å; R121-M413 HydrophobicContact CG-SD 4.39Å
122	Q	97.7	Very high	98.7	Very high	60 Å²	60	36.7 Å²	36.7	28%	0.28	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	48.5	-132	179.6	-54	-71.4	-13	0	0	111.2	V91 N120 S124 S125 I409	V91-Q122 WeakPolarHBondContact CG2-O 3.46Å; N120-Q122 PolarHBondContact OD1-N 3.45Å; Q122-S124 PolarHBondContact O-N 3.36Å; Q122-S125 PolarHBondContact N-OG 3.05Å; Q122-S125 WeakPolarHBondContact O-CB 3.31Å; Q122-S125 PolarHBondContact O-N 3.21Å; Q122-S125 PolarHBondContact O-OG 3.45Å; Q122-I409 HydrophobicContact CB-CG2 3.69Å; Q122-I409 HydrophobicContact CG-CG2 4.23Å
123	C	97.2	Very high	98.7	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.014	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-57.7	-16	-176.7	-47.2	0	0	0	0	115.1	R121 C408	R121-C123 PolarHBondContact O-N 2.96Å; C123-C408 WeakPolarHBondContact CB-O 3.35Å
124	S	98.6	Very high	98.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-95.8	0.3	178.7	70.6	0	0	0	0	114.3	R121 Q122 G126 L127 Q128 M407 I409	R121-S124 WeakPolarHBondContact CB-OG 3.33Å; R121-S124 WeakPolarHBondContact CD-OG 3.43Å; R121-S124 WeakPolarHBondContact CG-OG 3.41Å; R121-S124 PolarHBondContact O-N 2.94Å; R121-S124 VanDerWaalsContact O-N 3.12Å; R121-S124 PolarHBondContact O-OG 3.33Å; Q122-S124 PolarHBondContact O-N 3.36Å; S124-G126 VanDerWaalsContact C-N 3.3Å; S124-G126 PolarHBondContact O-N 3.27Å; S124-G126 VanDerWaalsContact O-N 3.14Å; S124-L127 CarbonylContact O-C 3.39Å; S124-L127 WeakPolarHBondContact O-CA 3.49Å; S124-L127 WeakPolarHBondContact O-CB 3.47Å; S124-L127 PolarHBondContact O-N 3.08Å; S124-Q128 PolarHBondContact O-N 3Å; S124-M407 VanDerWaalsContact CB-SD 3.52Å; S124-I409 VanDerWaalsContact OG-CD1 3.23Å; S124-I409 WeakPolarHBondContact OG-CD1 3.45Å
125	S	98.8	Very high	98.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-54.6	-40.7	-167.7	-57.3	0	0	0	0	113.7	R121 Q122 L127 Q128 A129	R121-S125 PolarHBondContact N-OG 3.43Å; Q122-S125 PolarHBondContact N-OG 3.05Å; Q122-S125 WeakPolarHBondContact O-CB 3.31Å; Q122-S125 PolarHBondContact O-N 3.21Å; Q122-S125 PolarHBondContact O-OG 3.45Å; S125-L127 VanDerWaalsContact C-N 3.34Å; S125-L127 PolarHBondContact O-N 3.4Å; S125-Q128 CarbonylContact O-C 3.51Å; S125-Q128 WeakPolarHBondContact O-CB 3.33Å; S125-Q128 PolarHBondContact O-N 3.48Å; S125-A129 PolarHBondContact O-N 3.47Å
126	G	98.8	Very high	98.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.7	-32.5	175.2	0	0	0	0	0	114	S124 V130 G380	S124-G126 VanDerWaalsContact C-N 3.3Å; S124-G126 PolarHBondContact O-N 3.27Å; S124-G126 VanDerWaalsContact O-N 3.14Å; G126-V130 PolarHBondContact O-N 3.34Å; G126-G380 WeakPolarHBondContact CA-O 3.06Å; G126-G380 PolarHBondContact N-O 3.31Å
127	L	98.9	Very high	98.7	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-78.3	-34	173.5	-172.8	65.9	0	0	0	111.3	S124 S125 A129 V130 A131 Y307 V387 V405 M407 A417 F419	S124-L127 CarbonylContact O-C 3.39Å; S124-L127 WeakPolarHBondContact O-CA 3.49Å; S124-L127 WeakPolarHBondContact O-CB 3.47Å; S124-L127 PolarHBondContact O-N 3.08Å; S125-L127 VanDerWaalsContact C-N 3.34Å; S125-L127 PolarHBondContact O-N 3.4Å; L127-A129 VanDerWaalsContact C-N 3.29Å; L127-A129 PolarHBondContact O-N 3.49Å; L127-V130 WeakPolarHBondContact O-CB 3.17Å; L127-V130 PolarHBondContact O-N 3.27Å; L127-A131 PolarHBondContact O-N 3.41Å; L127-Y307 HydrophobicContact CD2-CD2 4.4Å; L127-Y307 HydrophobicContact CD2-CE2 3.83Å; L127-Y307 HydrophobicContact CG-CD2 4.43Å; L127-Y307 HydrophobicContact CG-CE2 3.85Å; L127-V387 HydrophobicContact CD1-CG2 3.72Å; L127-V405 HydrophobicContact CD1-CB 4.43Å; L127-V405 HydrophobicContact CD1-CG1 4.24Å; L127-V405 HydrophobicContact CD2-CB 4.45Å; L127-V405 HydrophobicContact CD2-CG1 4.03Å; L127-M407 HydrophobicContact CB-CE 4.01Å; L127-M407 HydrophobicContact CB-SD 4.31Å; L127-M407 HydrophobicContact CD2-CE 3.87Å; L127-M407 HydrophobicContact CD2-SD 3.75Å; L127-A417 HydrophobicContact CD1-CB 3.86Å; L127-A417 HydrophobicContact CD2-CB 4.06Å; L127-A417 HydrophobicContact CG-CB 4.35Å; L127-F419 HydrophobicContact CD1-CE2 4.41Å; L127-F419 HydrophobicContact CD1-CZ 4.43Å
128	Q	98.9	Very high	98.7	Very high	29 Å²	29	26.3 Å²	26.3	14%	0.136	14%	0.137	C	C	.	.	H	α-helix	trans	-63.5	-36.4	171.3	178.1	61.8	65.2	0	0	111.1	V119 R121 S124 S125 A131 S132 Y307	V119-Q128 HydrophobicContact CB-CG 4.26Å; V119-Q128 HydrophobicContact CG2-CB 4.38Å; V119-Q128 HydrophobicContact CG2-CG 4.11Å; R121-Q128 HydrophobicContact CB-CB 4.27Å; R121-Q128 HydrophobicContact CB-CG 4.27Å; S124-Q128 PolarHBondContact O-N 3Å; S125-Q128 CarbonylContact O-C 3.51Å; S125-Q128 WeakPolarHBondContact O-CB 3.33Å; S125-Q128 PolarHBondContact O-N 3.48Å; Q128-A131 PolarHBondContact O-N 3.41Å; Q128-S132 PolarHBondContact NE2-OG 2.84Å; Q128-S132 VanDerWaalsContact NE2-OG 3.14Å; Q128-S132 WeakPolarHBondContact O-CB 3.38Å; Q128-S132 PolarHBondContact O-N 3.36Å; Q128-S132 PolarHBondContact O-OG 3.26Å; Q128-Y307 PolarHBondContact OE1-OH 3Å
129	A	98.9	Very high	98.7	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.9	-44.9	173.3	0	0	0	0	0	111.2	C87 V119 S125 L127 A131 S132 I133 A147 C148	C87-A129 HydrophobicContact CB-CB 4.34Å; C87-A129 WeakPolarHBondContact O-CB 3.36Å; V119-A129 HydrophobicContact CG2-CB 3.98Å; S125-A129 PolarHBondContact O-N 3.47Å; L127-A129 VanDerWaalsContact C-N 3.29Å; L127-A129 PolarHBondContact O-N 3.49Å; A129-A131 VanDerWaalsContact C-N 3.34Å; A129-A131 PolarHBondContact O-N 2.92Å; A129-S132 PolarHBondContact O-N 3.23Å; A129-S132 VanDerWaalsContact O-N 3.13Å; A129-I133 PolarHBondContact O-N 2.8Å; A129-A147 HydrophobicContact CB-CB 4.26Å; A129-C148 VanDerWaalsContact CB-O 3.31Å; A129-C148 WeakPolarHBondContact CB-O 3.5Å
130	V	98.9	Very high	98.6	Very high	2 Å²	2	31 Å²	31	1%	0.012	17%	0.172	C	C	.	.	H	α-helix	trans	-56.9	-47.3	173.3	172.7	0	0	0	0	111.2	G126 L127 S132 A134 A147 I285 L287 F419	G126-V130 PolarHBondContact O-N 3.34Å; L127-V130 WeakPolarHBondContact O-CB 3.17Å; L127-V130 PolarHBondContact O-N 3.27Å; V130-S132 VanDerWaalsContact C-N 3.31Å; V130-S132 PolarHBondContact O-N 2.87Å; V130-A134 WeakPolarHBondContact O-CB 3.28Å; V130-A134 PolarHBondContact O-N 3.19Å; V130-A147 VanDerWaalsContact CA-CB 3.46Å; V130-A147 HydrophobicContact CB-CB 4.18Å; V130-A147 HydrophobicContact CG2-CB 3.68Å; V130-I285 HydrophobicContact CG2-CD1 3.52Å; V130-L287 HydrophobicContact CG1-CD2 3.95Å; V130-F419 HydrophobicContact CG1-CZ 4.27Å
131	A	98.9	Very high	98.6	Very high	16 Å²	16	31.3 Å²	31.3	13%	0.132	18%	0.18	C	C	.	.	H	α-helix	trans	-65.1	-33.3	177.8	0	0	0	0	0	113.1	L127 Q128 A129 G135 Y307	L127-A131 PolarHBondContact O-N 3.41Å; Q128-A131 PolarHBondContact O-N 3.41Å; A129-A131 VanDerWaalsContact C-N 3.34Å; A129-A131 PolarHBondContact O-N 2.92Å; A131-G135 PolarHBondContact O-N 3.15Å; A131-Y307 HydrophobicContact CB-CD1 3.3Å; A131-Y307 HydrophobicContact CB-CD2 4.29Å; A131-Y307 HydrophobicContact CB-CE1 3.34Å; A131-Y307 HydrophobicContact CB-CE2 4.32Å; A131-Y307 HydrophobicContact CB-CG 3.79Å
132	S	98.9	Very high	98.7	Very high	36 Å²	36	28.8 Å²	28.8	25%	0.252	17%	0.171	S	C	.	.	H	α-helix	trans	-71.8	-45.4	-180	-52.6	0	0	0	0	110.8	Q128 A129 V130 A134 G135 G136	Q128-S132 PolarHBondContact NE2-OG 2.84Å; Q128-S132 VanDerWaalsContact NE2-OG 3.14Å; Q128-S132 WeakPolarHBondContact O-CB 3.38Å; Q128-S132 PolarHBondContact O-N 3.36Å; Q128-S132 PolarHBondContact O-OG 3.26Å; A129-S132 PolarHBondContact O-N 3.23Å; A129-S132 VanDerWaalsContact O-N 3.13Å; V130-S132 VanDerWaalsContact C-N 3.31Å; V130-S132 PolarHBondContact O-N 2.87Å; S132-A134 VanDerWaalsContact C-N 3.34Å; S132-A134 PolarHBondContact O-N 2.67Å; S132-G135 WeakPolarHBondContact O-CA 3.36Å; S132-G135 PolarHBondContact O-N 3.31Å; S132-G135 VanDerWaalsContact O-N 3.08Å; S132-G136 PolarHBondContact O-N 2.88Å
133	I	98.9	Very high	98.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.3	-44.1	172	-67.3	-59.7	0	0	0	111.2	D85 C87 A129 G135 G136 I137 Y142 A147 L287	D85-I133 HydrophobicContact CB-CD1 4.08Å; C87-I133 HydrophobicContact CB-CD1 3.67Å; C87-I133 HydrophobicContact CB-CG1 3.77Å; A129-I133 PolarHBondContact O-N 2.8Å; I133-G135 PolarHBondContact O-N 2.78Å; I133-G136 PolarHBondContact O-N 2.87Å; I133-G136 VanDerWaalsContact O-N 3.16Å; I133-I137 HydrophobicContact CG2-CD1 4.03Å; I133-I137 WeakPolarHBondContact O-CG1 3.49Å; I133-I137 PolarHBondContact O-N 2.96Å; I133-Y142 HydrophobicContact CD1-CE2 4.47Å; I133-Y142 HydrophobicContact CG2-CE2 4.32Å; I133-A147 HydrophobicContact CB-CB 4.32Å; I133-A147 HydrophobicContact CG1-CB 3.88Å; I133-L287 HydrophobicContact CB-CD1 4.29Å; I133-L287 HydrophobicContact CG2-CB 3.93Å; I133-L287 HydrophobicContact CG2-CD1 3.91Å; I133-L287 HydrophobicContact CG2-CG 4.46Å
134	A	98.9	Very high	98.8	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.008	17%	0.172	C	C	.	.	H	α-helix	trans	-60.4	-35.8	174.6	0	0	0	0	0	112.6	V38 V130 S132 I137 R138 L304	V38-A134 HydrophobicContact CB-CB 4.41Å; V38-A134 HydrophobicContact CG1-CB 3.88Å; V38-A134 HydrophobicContact CG2-CB 4.25Å; V130-A134 WeakPolarHBondContact O-CB 3.28Å; V130-A134 PolarHBondContact O-N 3.19Å; S132-A134 VanDerWaalsContact C-N 3.34Å; S132-A134 PolarHBondContact O-N 2.67Å; A134-I137 PolarHBondContact O-N 2.83Å; A134-R138 WeakPolarHBondContact O-CB 3.42Å; A134-R138 VanDerWaalsContact O-CG 3.27Å; A134-R138 WeakPolarHBondContact O-CG 3.41Å; A134-R138 PolarHBondContact O-N 2.81Å; A134-L304 HydrophobicContact CB-CD2 3.49Å; A134-L304 VanDerWaalsContact CB-CD2 3.49Å
135	G	98.8	Very high	98.8	Very high	33 Å²	33	28.7 Å²	28.7	34%	0.34	17%	0.172	S	C	.	.	H	α-helix	trans	-63.1	-44.7	172.6	0	0	0	0	0	112.7	A131 S132 I133 R138 N139	A131-G135 PolarHBondContact O-N 3.15Å; S132-G135 WeakPolarHBondContact O-CA 3.36Å; S132-G135 PolarHBondContact O-N 3.31Å; S132-G135 VanDerWaalsContact O-N 3.08Å; I133-G135 PolarHBondContact O-N 2.78Å; G135-R138 PolarHBondContact O-N 3.27Å; G135-N139 WeakPolarHBondContact O-CB 3.44Å; G135-N139 PolarHBondContact O-N 3Å
136	G	98.9	Very high	98.8	Very high	5 Å²	5	28.7 Å²	28.7	5%	0.052	17%	0.172	C	C	.	.	H	α-helix	trans	-66.8	-31.5	175.6	0	0	0	0	0	114.2	S132 I133 N139 G140 S141 Y142	S132-G136 PolarHBondContact O-N 2.88Å; I133-G136 PolarHBondContact O-N 2.87Å; I133-G136 VanDerWaalsContact O-N 3.16Å; G136-N139 VanDerWaalsContact C-OD1 3.31Å; G136-N139 WeakPolarHBondContact CA-OD1 3.41Å; G136-N139 PolarHBondContact O-OD1 3.36Å; G136-G140 PolarHBondContact O-N 3.5Å; G136-S141 PolarHBondContact O-N 2.87Å; G136-S141 VanDerWaalsContact O-N 3.12Å; G136-Y142 WeakPolarHBondContact CA-OH 3.28Å
137	I	98.9	Very high	98.8	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-69	-41.6	170.8	-66.7	164.8	0	0	0	110.8	V38 I133 A134 G140 Y142 L287 R289	V38-I137 HydrophobicContact CG1-CD1 3.99Å; V38-I137 HydrophobicContact CG2-CB 4.18Å; V38-I137 HydrophobicContact CG2-CG2 3.95Å; I133-I137 HydrophobicContact CG2-CD1 4.03Å; I133-I137 WeakPolarHBondContact O-CG1 3.49Å; I133-I137 PolarHBondContact O-N 2.96Å; A134-I137 PolarHBondContact O-N 2.83Å; I137-G140 PolarHBondContact O-N 3.43Å; I137-Y142 WeakPolarHBondContact CA-O 3.27Å; I137-Y142 HydrophobicContact CG1-CD2 3.98Å; I137-Y142 HydrophobicContact CG1-CE2 3.92Å; I137-L287 HydrophobicContact CD1-CB 4.01Å; I137-R289 HydrophobicContact CG2-CB 3.83Å; I137-R289 PolarHBondContact O-NH2 3.26Å
138	R	98.6	Very high	98.8	Very high	144 Å²	144	28.7 Å²	28.7	54%	0.543	17%	0.172	S	C	.	.	H	α-helix	trans	-72.4	-31.4	-179.4	-76.2	170.1	174.3	164.4	-1.2	113.6	V38 A134 G135 G140	V38-R138 HydrophobicContact CG2-CG 4.02Å; A134-R138 WeakPolarHBondContact O-CB 3.42Å; A134-R138 VanDerWaalsContact O-CG 3.27Å; A134-R138 WeakPolarHBondContact O-CG 3.41Å; A134-R138 PolarHBondContact O-N 2.81Å; G135-R138 PolarHBondContact O-N 3.27Å; R138-G140 VanDerWaalsContact C-N 3.26Å
139	N	98.4	Very high	98.8	Very high	109 Å²	109	27.3 Å²	27.3	58%	0.583	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-4.3	177.5	77.5	5.7	0	0	0	113	G135 G136 S141	G135-N139 WeakPolarHBondContact O-CB 3.44Å; G135-N139 PolarHBondContact O-N 3Å; G136-N139 VanDerWaalsContact C-OD1 3.31Å; G136-N139 WeakPolarHBondContact CA-OD1 3.41Å; G136-N139 PolarHBondContact O-OD1 3.36Å; N139-S141 VanDerWaalsContact CG-OG 3.26Å; N139-S141 PolarHBondContact ND2-OG 2.78Å; N139-S141 VanDerWaalsContact OD1-CB 3.24Å; N139-S141 WeakPolarHBondContact OD1-CB 3.39Å; N139-S141 PolarHBondContact OD1-N 3.27Å; N139-S141 PolarHBondContact OD1-OG 3.18Å
140	G	98.5	Very high	98.8	Very high	51 Å²	51	27.3 Å²	27.3	53%	0.526	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.8	12.7	177.9	0	0	0	0	0	115.3	G136 I137 R138 Y142	G136-G140 PolarHBondContact O-N 3.5Å; I137-G140 PolarHBondContact O-N 3.43Å; R138-G140 VanDerWaalsContact C-N 3.26Å; G140-Y142 VanDerWaalsContact C-N 3.33Å
141	S	98.7	Very high	98.8	Very high	81 Å²	81	27.2 Å²	27.2	57%	0.566	17%	0.165	S	C	*	.	S	Bend	trans	-68.2	-33.4	179	-59.2	0	0	0	0	112.5	G136 N139	G136-S141 PolarHBondContact O-N 2.87Å; G136-S141 VanDerWaalsContact O-N 3.12Å; N139-S141 VanDerWaalsContact CG-OG 3.26Å; N139-S141 PolarHBondContact ND2-OG 2.78Å; N139-S141 VanDerWaalsContact OD1-CB 3.24Å; N139-S141 WeakPolarHBondContact OD1-CB 3.39Å; N139-S141 PolarHBondContact OD1-N 3.27Å; N139-S141 PolarHBondContact OD1-OG 3.18Å
142	Y	98.8	Very high	98.8	Very high	34 Å²	34	26.4 Å²	26.4	13%	0.133	16%	0.159	C	C	.	.			trans	-162.2	167.4	179.5	44.5	-97.5	0	0	0	111.1	D85 I133 G136 I137 G140 I144	D85-Y142 HydrophobicContact CB-CD1 4Å; D85-Y142 HydrophobicContact CB-CE1 3.4Å; D85-Y142 HydrophobicContact CB-CE2 4.24Å; I133-Y142 HydrophobicContact CD1-CE2 4.47Å; I133-Y142 HydrophobicContact CG2-CE2 4.32Å; G136-Y142 WeakPolarHBondContact CA-OH 3.28Å; I137-Y142 WeakPolarHBondContact CA-O 3.27Å; I137-Y142 HydrophobicContact CG1-CD2 3.98Å; I137-Y142 HydrophobicContact CG1-CE2 3.92Å; G140-Y142 VanDerWaalsContact C-N 3.33Å; Y142-I144 WeakPolarHBondContact CD2-O 3.5Å
143	D	98.8	Very high	98.8	Very high	57 Å²	57	25.7 Å²	25.7	31%	0.305	15%	0.151	S	C	.	.	S	Bend	trans	-101.2	-21	179.3	-71.5	-44.1	0	0	0	114.3	A288 R289 K292	D143-A288 CarbonylContact O-C 3.53Å; D143-A288 WeakPolarHBondContact O-CA 3.36Å; D143-R289 PolarHBondContact O-N 2.83Å; D143-R289 IonicContact OD1-CZ 2.73Å; D143-R289 IonicContact OD1-NE 3.29Å; D143-R289 IonicContact OD1-NH1 3.58Å; D143-R289 PolarHBondContact OD1-NH1 2.91Å; D143-R289 IonicContact OD1-NH2 3.77Å; D143-K292 HydrophobicContact CB-CB 3.85Å; D143-K292 HydrophobicContact CB-CD 4.36Å; D143-K292 HydrophobicContact CB-CG 3.71Å
144	I	98.9	Very high	98.7	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.015	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	137.5	-178.1	-52	179.3	0	0	0	108.2	L78 L83 G84 Y142 L286 L287 A288 K292 L296	L78-I144 HydrophobicContact CD1-CD1 4.18Å; L78-I144 HydrophobicContact CD2-CG2 4.08Å; L83-I144 HydrophobicContact CD2-CG2 4.09Å; G84-I144 PolarHBondContact N-O 2.91Å; Y142-I144 WeakPolarHBondContact CD2-O 3.5Å; I144-L286 HydrophobicContact CG2-CD1 3.8Å; I144-L286 HydrophobicContact CG2-CG 4.32Å; I144-L287 WeakPolarHBondContact CA-O 3.19Å; I144-L287 WeakPolarHBondContact CG2-O 3.33Å; I144-A288 HydrophobicContact CG1-CB 4.11Å; I144-K292 HydrophobicContact CD1-CG 3.9Å; I144-K292 HydrophobicContact CG1-CG 3.83Å; I144-L296 HydrophobicContact CD1-CD1 3.51Å
145	G	98.9	Very high	98.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	160.7	173.4	0	0	0	0	0	112	D85 L287	D85-G145 VanDerWaalsContact O-CA 3.3Å; D85-G145 WeakPolarHBondContact O-CA 3.3Å; G145-L287 PolarHBondContact N-O 2.83Å; G145-L287 PolarHBondContact O-N 3.4Å
146	M	99	Very high	98.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	122.6	178.7	-164.9	-179.2	-72.1	0	0	110.5	M69 V72 L73 L83 D85 I86 C87 A284 I285 L286	M69-M146 HydrophobicContact CB-SD 3.92Å; M69-M146 HydrophobicContact CG-SD 3.61Å; M69-M146 HydrophobicContact SD-SD 4.35Å; V72-M146 HydrophobicContact CB-CE 4.38Å; V72-M146 HydrophobicContact CG1-CE 4.19Å; L73-M146 HydrophobicContact CD1-CE 4.17Å; L73-M146 HydrophobicContact CD2-CE 3.84Å; L73-M146 HydrophobicContact CG-CE 3.69Å; L83-M146 HydrophobicContact CD1-CE 4.09Å; L83-M146 HydrophobicContact CD2-CB 4.15Å; L83-M146 HydrophobicContact CD2-CE 4.5Å; D85-M146 PolarHBondContact O-N 3.02Å; I86-M146 CarbonylContact C-O 3.58Å; I86-M146 WeakPolarHBondContact CA-O 3.25Å; I86-M146 HydrophobicContact CG1-CB 4.26Å; C87-M146 PolarHBondContact N-O 3.43Å; M146-A284 HydrophobicContact CG-CB 4.42Å; M146-A284 HydrophobicContact SD-CB 4.09Å; M146-I285 WeakPolarHBondContact CA-O 3.4Å; M146-L286 HydrophobicContact CE-CD1 4.46Å
147	A	99	Very high	98.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	121.8	173.1	0	0	0	0	0	109.6	A129 V130 I133 A284 I285 L287	A129-A147 HydrophobicContact CB-CB 4.26Å; V130-A147 VanDerWaalsContact CA-CB 3.46Å; V130-A147 HydrophobicContact CB-CB 4.18Å; V130-A147 HydrophobicContact CG2-CB 3.68Å; I133-A147 HydrophobicContact CB-CB 4.32Å; I133-A147 HydrophobicContact CG1-CB 3.88Å; A147-A284 CarbonylContact O-C 3.55Å; A147-I285 PolarHBondContact N-O 2.86Å; A147-I285 PolarHBondContact O-N 2.94Å; A147-L287 HydrophobicContact CB-CD1 3.6Å
148	C	98.9	Very high	97.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	164.1	-178.6	-54.6	0	0	0	0	111.3	L65 C87 V88 G89 A129 A283	L65-C148 HydrophobicContact CD1-CB 3.59Å; C87-C148 PolarHBondContact O-N 3.47Å; V88-C148 HydrophobicContact CB-CB 4.41Å; V88-C148 HydrophobicContact CG1-CB 4.18Å; V88-C148 HydrophobicContact CG2-CB 4.07Å; G89-C148 PolarHBondContact N-O 3.37Å; A129-C148 VanDerWaalsContact CB-O 3.31Å; A129-C148 WeakPolarHBondContact CB-O 3.5Å; C148-A283 CarbonylContact C-O 3.58Å; C148-A283 WeakPolarHBondContact CA-O 3.26Å; C148-A283 WeakPolarHBondContact CB-O 3.33Å
149	G	98.9	Very high	96.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	140.5	162.4	0	0	0	0	0	109.8	G89 A282 A283 G380 C381	G89-G149 CarbonylContact O-C 3.46Å; G89-G149 VanDerWaalsContact O-CA 3.25Å; G89-G149 WeakPolarHBondContact O-CA 3.41Å; G149-A282 CarbonylContact O-C 3.58Å; G149-A282 VanDerWaalsContact O-CA 3.26Å; G149-A282 WeakPolarHBondContact O-CA 3.29Å; G149-A283 PolarHBondContact N-O 2.89Å; G149-A283 PolarHBondContact O-N 2.79Å; G149-G380 WeakPolarHBondContact CA-O 3.29Å; G149-C381 VanDerWaalsContact C-CA 3.46Å; G149-C381 WeakPolarHBondContact O-CB 3.49Å
150	V	98.9	Very high	96.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	144.4	179.1	62.1	0	0	0	0	110.5	P61 L64 L65 V88 G89 N90 M100 G281 A282	P61-V150 HydrophobicContact CB-CG2 3.88Å; P61-V150 WeakPolarHBondContact O-CG2 3.49Å; L64-V150 HydrophobicContact CB-CG2 4.3Å; L65-V150 HydrophobicContact CB-CB 4.3Å; L65-V150 HydrophobicContact CB-CG1 4.35Å; L65-V150 HydrophobicContact CB-CG2 4.3Å; L65-V150 HydrophobicContact CD1-CB 4.45Å; L65-V150 HydrophobicContact CD2-CG1 4.13Å; V88-V150 HydrophobicContact CG1-CG1 3.86Å; G89-V150 PolarHBondContact O-N 3.35Å; N90-V150 PolarHBondContact ND2-O 3.08Å; M100-V150 HydrophobicContact CE-CG1 3.71Å; V150-G281 WeakPolarHBondContact CA-O 3.22Å; V150-A282 HydrophobicContact CB-CB 3.95Å; V150-A282 HydrophobicContact CG2-CB 3.78Å
151	E	98.8	Very high	95.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	139.6	167.6	-157.4	65.2	-97.8	0	0	110.4	N90 V91 L92 M153 D280 G281 P378 L379 G380	N90-E151 PolarHBondContact ND2-OE1 3.04Å; V91-E151 VanDerWaalsContact CB-OE2 3.31Å; V91-E151 WeakPolarHBondContact CB-OE2 3.38Å; V91-E151 PolarHBondContact N-OE2 3.02Å; L92-E151 HydrophobicContact CD1-CG 4.22Å; L92-E151 PolarHBondContact N-OE1 3.24Å; E151-M153 HydrophobicContact CG-CG 3.68Å; E151-D280 WeakPolarHBondContact O-CA 3.41Å; E151-G281 PolarHBondContact N-O 2.64Å; E151-G281 PolarHBondContact O-N 3.07Å; E151-P378 HydrophobicContact CB-CB 3.95Å; E151-L379 HydrophobicContact CG-CB 4.17Å; E151-G380 PolarHBondContact OE2-N 3.33Å
152	S	98.6	Very high	95.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	90.9	164.3	178.9	0	0	0	0	107.7	S154 L155 A156 D280	S152-S154 PolarHBondContact O-N 3.31Å; S152-L155 PolarHBondContact O-N 3.45Å; S152-L155 WeakPolarHBondContact OG-CG 3.06Å; S152-A156 WeakPolarHBondContact O-CB 3.34Å; S152-A156 PolarHBondContact O-N 2.7Å; S152-A156 VanDerWaalsContact O-N 3.07Å; S152-D280 VanDerWaalsContact C-OD1 3.31Å; S152-D280 WeakPolarHBondContact CA-OD1 3.45Å
153	M	98.3	Very high	95.4	Very high	20 Å²	20	45.5 Å²	45.5	10%	0.099	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-12.8	176.7	-60.4	-172.2	84	0	0	112	A51 L92 E151 V278 S279 D280 L379	A51-M153 HydrophobicContact CB-CB 4.08Å; L92-M153 HydrophobicContact CD1-CE 4.23Å; L92-M153 HydrophobicContact CD1-CG 3.97Å; E151-M153 HydrophobicContact CG-CG 3.68Å; M153-V278 HydrophobicContact CB-CG1 3.58Å; M153-V278 HydrophobicContact CE-CG1 3.7Å; M153-V278 HydrophobicContact CG-CG1 4.22Å; M153-V278 HydrophobicContact SD-CB 4.39Å; M153-V278 HydrophobicContact SD-CG1 3.61Å; M153-S279 VanDerWaalsContact CG-O 3.24Å; M153-S279 WeakPolarHBondContact CG-O 3.43Å; M153-D280 PolarHBondContact N-OD1 2.81Å; M153-L379 HydrophobicContact CE-CD1 3.9Å; M153-L379 HydrophobicContact CE-CD2 4.4Å; M153-L379 HydrophobicContact CE-CG 3.95Å; M153-L379 HydrophobicContact SD-CG 4.07Å
154	S	97.9	Very high	95.3	Very high	33 Å²	33	46.4 Å²	46.4	23%	0.231	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-41	167.5	-72.9	0	0	0	0	112.7	A51 G52 S152 D280	A51-S154 VanDerWaalsContact CA-OG 3.26Å; A51-S154 WeakPolarHBondContact CA-OG 3.37Å; G52-S154 PolarHBondContact N-OG 2.89Å; S152-S154 PolarHBondContact O-N 3.31Å; S154-D280 WeakPolarHBondContact CB-OD2 3.43Å; S154-D280 PolarHBondContact N-OD1 2.94Å; S154-D280 VanDerWaalsContact OG-CG 3.32Å; S154-D280 PolarHBondContact OG-OD1 2.87Å; S154-D280 PolarHBondContact OG-OD2 2.74Å
155	L	97.4	Very high	95.2	Very high	85 Å²	85	50.6 Å²	50.6	45%	0.445	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-21.5	-169.1	-59.8	178.2	0	0	0	113.9	T59 T60 S152	T59-L155 WeakPolarHBondContact O-CD1 3.48Å; T60-L155 HydrophobicContact CG2-CD1 4.12Å; S152-L155 PolarHBondContact O-N 3.45Å; S152-L155 WeakPolarHBondContact OG-CG 3.06Å
156	A	94.8	Very high	95	Very high	15 Å²	15	56.3 Å²	56.3	12%	0.124	33%	0.334	C	S	.	.	S	Bend	trans	-82.4	146.4	-178.1	0	0	0	0	0	113.2	L92 S152 R158	L92-A156 HydrophobicContact CB-CB 3.43Å; L92-A156 VanDerWaalsContact CB-CB 3.43Å; L92-A156 HydrophobicContact CD1-CB 4.02Å; L92-A156 HydrophobicContact CG-CB 4.38Å; S152-A156 WeakPolarHBondContact O-CB 3.34Å; S152-A156 PolarHBondContact O-N 2.7Å; S152-A156 VanDerWaalsContact O-N 3.07Å; A156-R158 PolarHBondContact O-N 2.74Å
157	D	90.2	Very high	94.9	Very high	106 Å²	106	64.1 Å²	64.1	57%	0.567	36%	0.364	S	S	*	.			trans	-76.9	103.6	172.6	-177.8	5.5	0	0	0	110.8	G159 N160	D157-G159 VanDerWaalsContact C-N 3.25Å; D157-G159 PolarHBondContact O-N 3.43Å; D157-G159 PolarHBondContact OD1-N 2.76Å; D157-N160 WeakPolarHBondContact OD2-CB 3.48Å
158	R	87.6	Confident	94.7	Very high	156 Å²	156	65 Å²	65	59%	0.589	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-12.9	179	-64.6	179.6	-69	162.6	-1.2	113.6	L92 A156	L92-R158 HydrophobicContact CD1-CG 3.88Å; A156-R158 PolarHBondContact O-N 2.74Å
159	G	85	Confident	94.5	Very high	62 Å²	62	70.4 Å²	70.4	64%	0.639	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-7.8	-172.3	0	0	0	0	0	114.7	D157 P161	D157-G159 VanDerWaalsContact C-N 3.25Å; D157-G159 PolarHBondContact O-N 3.43Å; D157-G159 PolarHBondContact OD1-N 2.76Å; G159-P161 WeakPolarHBondContact O-CD 3.34Å
160	N	88.3	Confident	94.4	Very high	109 Å²	109	76.7 Å²	76.7	58%	0.583	42%	0.424	S	S	*	.			trans	-96.2	105.4	-175.7	-177.1	3.3	0	0	0	111.9	D157 G162	D157-N160 WeakPolarHBondContact OD2-CB 3.48Å; N160-G162 VanDerWaalsContact C-N 3.29Å; N160-G162 PolarHBondContact O-N 3.36Å; N160-G162 WeakPolarHBondContact OD1-CA 3.25Å; N160-G162 PolarHBondContact OD1-N 3.08Å
161	P	88.5	Confident	94.4	Very high	90 Å²	90	83.5 Å²	83.5	58%	0.584	45%	0.454	S	S	*	.			trans	-84.5	-2	177.2	38.3	-39	0	0	0	113.2	G159 I164 L178	G159-P161 WeakPolarHBondContact O-CD 3.34Å; P161-I164 HydrophobicContact CB-CD1 3.85Å; P161-I164 HydrophobicContact CG-CD1 3.99Å; P161-L178 HydrophobicContact CB-CD2 4.38Å
162	G	92.3	Very high	94.3	Very high	40 Å²	40	89.4 Å²	89.4	41%	0.412	48%	0.481	S	S	.	.			trans	83.4	-168.1	-170.9	0	0	0	0	0	113.9	N160 I164	N160-G162 VanDerWaalsContact C-N 3.29Å; N160-G162 PolarHBondContact O-N 3.36Å; N160-G162 WeakPolarHBondContact OD1-CA 3.25Å; N160-G162 PolarHBondContact OD1-N 3.08Å; G162-I164 PolarHBondContact O-N 3.04Å
163	N	94.9	Very high	94.2	Very high	179 Å²	179	94 Å²	94	96%	0.957	50%	0.502	S	S	*	.			trans	-81	115	-179	-62.1	-33.5	0	0	0	110.5
164	I	95.5	Very high	94.2	Very high	77 Å²	77	94.9 Å²	94.9	40%	0.395	51%	0.512	S	S	.	.			trans	-114.3	141.5	-178.3	-61	178.8	0	0	0	110.3	P161 G162 L168 L178	P161-I164 HydrophobicContact CB-CD1 3.85Å; P161-I164 HydrophobicContact CG-CD1 3.99Å; G162-I164 PolarHBondContact O-N 3.04Å; I164-L168 HydrophobicContact CG2-CB 4.15Å; I164-L168 HydrophobicContact CG2-CD1 3.79Å; I164-L168 HydrophobicContact CG2-CD2 4.08Å; I164-L168 HydrophobicContact CG2-CG 4.23Å; I164-L178 HydrophobicContact CD1-CD1 4.13Å; I164-L178 HydrophobicContact CD1-CD2 3.74Å; I164-L178 HydrophobicContact CD1-CG 4.43Å
165	T	96.6	Very high	94.2	Very high	91 Å²	91	98.7 Å²	98.7	56%	0.558	52%	0.521	S	S	*	.			trans	-59.5	142.7	177.1	179.3	0	0	0	0	112.6	R167 L168	T165-R167 PolarHBondContact O-N 3.17Å; T165-R167 PolarHBondContact OG1-N 2.92Å; T165-L168 PolarHBondContact O-N 2.95Å
166	S	95.6	Very high	94.2	Very high	120 Å²	120	95.7 Å²	95.7	84%	0.839	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-63.1	-20.1	173.3	54.3	0	0	0	0	113.4	L168	S166-L168 PolarHBondContact O-N 3.02Å
167	R	96.4	Very high	94.3	Very high	164 Å²	164	97.4 Å²	97.4	62%	0.619	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-81.6	5.5	178.4	-57.7	-166.8	-173.9	168.6	0.8	114.1	T165 M169 E170	T165-R167 PolarHBondContact O-N 3.17Å; T165-R167 PolarHBondContact OG1-N 2.92Å; R167-M169 PolarHBondContact O-N 2.7Å; R167-M169 VanDerWaalsContact O-N 3.15Å; R167-E170 HydrophobicContact CB-CG 4.31Å; R167-E170 WeakPolarHBondContact CG-OE1 3.31Å; R167-E170 VanDerWaalsContact O-CB 3.28Å; R167-E170 WeakPolarHBondContact O-CB 3.2Å; R167-E170 PolarHBondContact O-N 3.12Å
168	L	95.4	Very high	94.6	Very high	19 Å²	19	96.4 Å²	96.4	10%	0.099	51%	0.511	C	S	.	.	G	3₁₀ helix	trans	-51.9	-40.2	-179.3	-170.9	79.8	0	0	0	112.3	I164 T165 S166 E170 K171 A174 L178	I164-L168 HydrophobicContact CG2-CB 4.15Å; I164-L168 HydrophobicContact CG2-CD1 3.79Å; I164-L168 HydrophobicContact CG2-CD2 4.08Å; I164-L168 HydrophobicContact CG2-CG 4.23Å; T165-L168 PolarHBondContact O-N 2.95Å; S166-L168 PolarHBondContact O-N 3.02Å; L168-E170 PolarHBondContact O-N 3.29Å; L168-K171 PolarHBondContact O-N 2.76Å; L168-K171 VanDerWaalsContact O-N 3.15Å; L168-A174 HydrophobicContact CD1-CB 3.67Å; L168-A174 WeakPolarHBondContact CD1-O 3.26Å; L168-L178 HydrophobicContact CD2-CD1 3.29Å; L168-L178 HydrophobicContact CD2-CG 3.94Å
169	M	94.2	Very high	95	Very high	113 Å²	113	91 Å²	91	56%	0.557	49%	0.493	S	S	*	.	G	3₁₀ helix	trans	-66.5	-19.7	-178.2	-59.5	-55.9	149.6	0	0	113	R167 K171 R175	R167-M169 PolarHBondContact O-N 2.7Å; R167-M169 VanDerWaalsContact O-N 3.15Å; M169-K171 VanDerWaalsContact C-N 3.3Å; M169-K171 PolarHBondContact O-N 3.1Å; M169-R175 HydrophobicContact CE-CG 4.41Å; M169-R175 PolarHBondContact O-NH2 2.56Å; M169-R175 HydrophobicContact SD-CG 3.82Å
170	E	97.5	Very high	95.6	Very high	132 Å²	132	91.9 Å²	91.9	62%	0.617	49%	0.487	S	S	*	.	G	3₁₀ helix	trans	-76.9	-16	177.7	-56.3	172.6	-162.5	0	0	112.8	R167 L168	R167-E170 HydrophobicContact CB-CG 4.31Å; R167-E170 WeakPolarHBondContact CG-OE1 3.31Å; R167-E170 VanDerWaalsContact O-CB 3.28Å; R167-E170 WeakPolarHBondContact O-CB 3.2Å; R167-E170 PolarHBondContact O-N 3.12Å; L168-E170 PolarHBondContact O-N 3.29Å
171	K	97.6	Very high	96	Very high	143 Å²	143	90.2 Å²	90.2	62%	0.622	48%	0.477	S	S	*	.			trans	-122.6	102.2	-177.1	-64	-62.5	-179.2	-174.3	0	110.2	L168 M169 K173 A174 R175	L168-K171 PolarHBondContact O-N 2.76Å; L168-K171 VanDerWaalsContact O-N 3.15Å; M169-K171 VanDerWaalsContact C-N 3.3Å; M169-K171 PolarHBondContact O-N 3.1Å; K171-K173 PolarHBondContact O-N 2.97Å; K171-A174 HydrophobicContact CB-CB 3.77Å; K171-A174 WeakPolarHBondContact O-CA 3.49Å; K171-A174 WeakPolarHBondContact O-CB 3.26Å; K171-A174 PolarHBondContact O-N 3.34Å; K171-R175 PolarHBondContact O-N 3.4Å
172	E	97.3	Very high	96.5	Very high	123 Å²	123	86 Å²	86	58%	0.575	45%	0.45	S	S	*	.	H	α-helix	trans	-46.9	-54.4	-177.7	-173.5	-171	146.1	0	0	112.7	A174 R175 D176	E172-A174 VanDerWaalsContact C-N 3.26Å; E172-A174 PolarHBondContact O-N 3.45Å; E172-R175 WeakPolarHBondContact O-CA 3.37Å; E172-R175 VanDerWaalsContact O-CB 3.29Å; E172-R175 WeakPolarHBondContact O-CB 3.19Å; E172-R175 PolarHBondContact O-N 2.92Å; E172-R175 VanDerWaalsContact O-N 3.07Å; E172-D176 VanDerWaalsContact O-CG 3.32Å; E172-D176 PolarHBondContact O-N 3.26Å
173	K	97.7	Very high	96.8	Very high	98 Å²	98	86.4 Å²	86.4	43%	0.426	44%	0.442	S	S	.	.	H	α-helix	trans	-65.9	-26.6	-179.3	-68	-70.8	156.7	-137.3	0	114.1	K171 D176 C177 D315	K171-K173 PolarHBondContact O-N 2.97Å; K173-D176 IonicContact NZ-OD2 3.48Å; K173-D176 PolarHBondContact NZ-OD2 3.42Å; K173-C177 PolarHBondContact O-SG 3.4Å; K173-D315 IonicContact NZ-OD1 2.89Å
174	A	97.4	Very high	96.9	Very high	38 Å²	38	78 Å²	78	31%	0.314	40%	0.397	S	S	.	.	H	α-helix	trans	-72.3	-41.7	173.4	0	0	0	0	0	110.5	L168 K171 E172 D176 C177	L168-A174 HydrophobicContact CD1-CB 3.67Å; L168-A174 WeakPolarHBondContact CD1-O 3.26Å; K171-A174 HydrophobicContact CB-CB 3.77Å; K171-A174 WeakPolarHBondContact O-CA 3.49Å; K171-A174 WeakPolarHBondContact O-CB 3.26Å; K171-A174 PolarHBondContact O-N 3.34Å; E172-A174 VanDerWaalsContact C-N 3.26Å; E172-A174 PolarHBondContact O-N 3.45Å; A174-D176 VanDerWaalsContact C-N 3.31Å; A174-D176 PolarHBondContact O-N 3.04Å; A174-C177 WeakPolarHBondContact O-CB 3.4Å; A174-C177 PolarHBondContact O-N 3.18Å
175	R	97.1	Very high	97.1	Very high	113 Å²	113	74.4 Å²	74.4	43%	0.426	38%	0.379	S	S	.	.	H	α-helix	trans	-59.7	-41.4	173.1	-164.9	-166.4	-46.1	162.3	5.8	111.8	M169 K171 E172 C177 L178	M169-R175 HydrophobicContact CE-CG 4.41Å; M169-R175 PolarHBondContact O-NH2 2.56Å; M169-R175 HydrophobicContact SD-CG 3.82Å; K171-R175 PolarHBondContact O-N 3.4Å; E172-R175 WeakPolarHBondContact O-CA 3.37Å; E172-R175 VanDerWaalsContact O-CB 3.29Å; E172-R175 WeakPolarHBondContact O-CB 3.19Å; E172-R175 PolarHBondContact O-N 2.92Å; E172-R175 VanDerWaalsContact O-N 3.07Å; R175-C177 PolarHBondContact O-N 3.18Å; R175-C177 VanDerWaalsContact O-N 3.16Å; R175-L178 PolarHBondContact O-N 3.5Å
176	D	98	Very high	97.2	Very high	21 Å²	21	70.2 Å²	70.2	11%	0.112	35%	0.353	C	S	.	.	H	α-helix	trans	-60.4	-25.4	-180	-67	-13.9	0	0	0	112.9	E172 K173 A174 L178 I179 P314	E172-D176 VanDerWaalsContact O-CG 3.32Å; E172-D176 PolarHBondContact O-N 3.26Å; K173-D176 IonicContact NZ-OD2 3.48Å; K173-D176 PolarHBondContact NZ-OD2 3.42Å; A174-D176 VanDerWaalsContact C-N 3.31Å; A174-D176 PolarHBondContact O-N 3.04Å; D176-L178 PolarHBondContact O-N 2.97Å; D176-I179 HydrophobicContact CB-CD1 3.9Å; D176-I179 WeakPolarHBondContact O-CB 3.37Å; D176-I179 WeakPolarHBondContact O-CG1 3.14Å; D176-I179 PolarHBondContact O-N 2.88Å; D176-I179 VanDerWaalsContact O-N 3.1Å; D176-P314 HydrophobicContact CB-CB 3.87Å; D176-P314 HydrophobicContact CB-CG 4.21Å
177	C	97.4	Very high	97.3	Very high	52 Å²	52	66 Å²	66	35%	0.351	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-17.1	175.2	-65.8	0	0	0	0	113.6	K173 A174 R175 T411	K173-C177 PolarHBondContact O-SG 3.4Å; A174-C177 WeakPolarHBondContact O-CB 3.4Å; A174-C177 PolarHBondContact O-N 3.18Å; R175-C177 PolarHBondContact O-N 3.18Å; R175-C177 VanDerWaalsContact O-N 3.16Å; C177-T411 HydrophobicContact CB-CG2 4.22Å
178	L	96.3	Very high	97.4	Very high	85 Å²	85	58.1 Å²	58.1	45%	0.445	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	1.1	174.8	-61.7	-169.6	0	0	0	113.6	P161 I164 L168 R175 D176 P180	P161-L178 HydrophobicContact CB-CD2 4.38Å; I164-L178 HydrophobicContact CD1-CD1 4.13Å; I164-L178 HydrophobicContact CD1-CD2 3.74Å; I164-L178 HydrophobicContact CD1-CG 4.43Å; L168-L178 HydrophobicContact CD2-CD1 3.29Å; L168-L178 HydrophobicContact CD2-CG 3.94Å; R175-L178 PolarHBondContact O-N 3.5Å; D176-L178 PolarHBondContact O-N 2.97Å; L178-P180 WeakPolarHBondContact O-CD 3.42Å
179	I	96.9	Very high	97.6	Very high	42 Å²	42	57.5 Å²	57.5	22%	0.215	29%	0.289	C	S	.	.	S	Bend	trans	-64.3	125.9	174.7	-65.6	170.6	0	0	0	108.3	D176 M181 I183 T184 D315	D176-I179 HydrophobicContact CB-CD1 3.9Å; D176-I179 WeakPolarHBondContact O-CB 3.37Å; D176-I179 WeakPolarHBondContact O-CG1 3.14Å; D176-I179 PolarHBondContact O-N 2.88Å; D176-I179 VanDerWaalsContact O-N 3.1Å; I179-M181 PolarHBondContact O-N 2.83Å; I179-I183 HydrophobicContact CG2-CB 3.73Å; I179-I183 HydrophobicContact CG2-CG2 3.69Å; I179-T184 HydrophobicContact CB-CG2 4.25Å; I179-T184 HydrophobicContact CG2-CG2 3.69Å; I179-D315 HydrophobicContact CD1-CB 3.83Å
180	P	96.9	Very high	97.8	Very high	80 Å²	80	57.2 Å²	57.2	52%	0.519	29%	0.286	S	S	.	.			trans	-55.1	135.3	175.6	-25.5	34	0	0	0	110.7	L178 G182 I183 T184	L178-P180 WeakPolarHBondContact O-CD 3.42Å; P180-G182 PolarHBondContact O-N 3.44Å; P180-G182 VanDerWaalsContact O-N 3.07Å; P180-I183 HydrophobicContact CB-CG1 4.15Å; P180-I183 HydrophobicContact CG-CG1 4.27Å; P180-I183 WeakPolarHBondContact O-CA 3.48Å; P180-I183 WeakPolarHBondContact O-CB 3.39Å; P180-I183 PolarHBondContact O-N 3.01Å; P180-T184 PolarHBondContact O-N 2.96Å
181	M	97.2	Very high	97.9	Very high	75 Å²	75	57.2 Å²	57.2	37%	0.369	28%	0.28	S	S	.	.	H	α-helix	trans	-55.7	-34.2	-176	-69.6	-171.2	-83.7	0	0	112.8	I179 I183 T184 S185 M317 F348	I179-M181 PolarHBondContact O-N 2.83Å; M181-I183 VanDerWaalsContact C-N 3.3Å; M181-I183 PolarHBondContact O-N 2.64Å; M181-T184 PolarHBondContact O-N 2.73Å; M181-T184 VanDerWaalsContact O-N 3.12Å; M181-T184 PolarHBondContact O-OG1 3.29Å; M181-S185 PolarHBondContact O-N 3.43Å; M181-M317 HydrophobicContact CB-CE 3.94Å; M181-M317 HydrophobicContact CG-CE 3.93Å; M181-M317 HydrophobicContact SD-CE 4.09Å; M181-F348 HydrophobicContact CB-CE2 4.03Å; M181-F348 HydrophobicContact CB-CZ 4.01Å
182	G	97.5	Very high	97.9	Very high	2 Å²	2	53.9 Å²	53.9	2%	0.021	27%	0.266	C	S	.	.	H	α-helix	trans	-62.3	-32.2	173.3	0	0	0	0	0	114.3	P180 S185 E186 F264	P180-G182 PolarHBondContact O-N 3.44Å; P180-G182 VanDerWaalsContact O-N 3.07Å; G182-S185 VanDerWaalsContact O-CB 3.28Å; G182-S185 WeakPolarHBondContact O-CB 3.25Å; G182-S185 PolarHBondContact O-N 3.17Å; G182-E186 PolarHBondContact O-N 3.08Å; G182-F264 VanDerWaalsContact CA-CD2 3.46Å
183	I	98.6	Very high	97.9	Very high	47 Å²	47	50.8 Å²	50.8	24%	0.241	27%	0.267	C	S	.	.	H	α-helix	trans	-71.6	-36.2	172.5	-61.7	-63.5	0	0	0	110.8	I179 P180 M181 S185 E186 N187 F264 K265	I179-I183 HydrophobicContact CG2-CB 3.73Å; I179-I183 HydrophobicContact CG2-CG2 3.69Å; P180-I183 HydrophobicContact CB-CG1 4.15Å; P180-I183 HydrophobicContact CG-CG1 4.27Å; P180-I183 WeakPolarHBondContact O-CA 3.48Å; P180-I183 WeakPolarHBondContact O-CB 3.39Å; P180-I183 PolarHBondContact O-N 3.01Å; M181-I183 VanDerWaalsContact C-N 3.3Å; M181-I183 PolarHBondContact O-N 2.64Å; I183-S185 PolarHBondContact O-N 3.27Å; I183-E186 WeakPolarHBondContact O-CB 3.29Å; I183-E186 PolarHBondContact O-N 3.17Å; I183-N187 VanDerWaalsContact O-CG 3.26Å; I183-N187 PolarHBondContact O-N 3.15Å; I183-N187 PolarHBondContact O-OD1 3.07Å; I183-F264 HydrophobicContact CD1-CB 3.86Å; I183-F264 HydrophobicContact CG1-CB 4.48Å; I183-K265 HydrophobicContact CD1-CB 4.41Å
184	T	98.5	Very high	98	Very high	4 Å²	4	46.4 Å²	46.4	3%	0.025	25%	0.249	C	C	.	.	H	α-helix	trans	-64.3	-29.6	172.6	75.6	0	0	0	0	112.2	I179 P180 M181 N187 V188 P314 D315 M317	I179-T184 HydrophobicContact CB-CG2 4.25Å; I179-T184 HydrophobicContact CG2-CG2 3.69Å; P180-T184 PolarHBondContact O-N 2.96Å; M181-T184 PolarHBondContact O-N 2.73Å; M181-T184 VanDerWaalsContact O-N 3.12Å; M181-T184 PolarHBondContact O-OG1 3.29Å; T184-N187 PolarHBondContact O-N 2.93Å; T184-V188 VanDerWaalsContact O-CG2 3.31Å; T184-V188 WeakPolarHBondContact O-CG2 3.27Å; T184-V188 PolarHBondContact O-N 2.84Å; T184-P314 WeakPolarHBondContact CG2-O 3.46Å; T184-D315 WeakPolarHBondContact CA-O 3.46Å; T184-D315 WeakPolarHBondContact CB-O 3.36Å; T184-M317 HydrophobicContact CG2-CG 4.32Å; T184-M317 WeakPolarHBondContact OG1-CE 3.44Å
185	S	98.7	Very high	98	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.007	25%	0.253	C	S	.	.	H	α-helix	trans	-64.4	-43.7	172.4	178.6	0	0	0	0	111.5	M181 G182 I183 V188 A189 T270 F348 S350	M181-S185 PolarHBondContact O-N 3.43Å; G182-S185 VanDerWaalsContact O-CB 3.28Å; G182-S185 WeakPolarHBondContact O-CB 3.25Å; G182-S185 PolarHBondContact O-N 3.17Å; I183-S185 PolarHBondContact O-N 3.27Å; S185-V188 PolarHBondContact O-N 2.9Å; S185-A189 WeakPolarHBondContact O-CB 3.44Å; S185-A189 PolarHBondContact O-N 2.85Å; S185-T270 WeakPolarHBondContact CB-OG1 3.45Å; S185-T270 PolarHBondContact OG-OG1 2.93Å; S185-F348 VanDerWaalsContact CB-CG 3.45Å; S185-F348 WeakPolarHBondContact OG-CB 3.33Å; S185-F348 VanDerWaalsContact OG-CG 3.29Å; S185-F348 WeakPolarHBondContact OG-CG 2.91Å; S185-S350 WeakPolarHBondContact CA-OG 3.12Å; S185-S350 PolarHBondContact O-OG 2.84Å; S185-S350 PolarHBondContact OG-OG 2.84Å
186	E	98.7	Very high	98.1	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.009	24%	0.243	C	C	.	.	H	α-helix	trans	-64.1	-44.4	173.3	-59.4	-66	-174.1	0	0	111.3	G182 I183 V188 A189 E190 K265 G268 S269 T270	G182-E186 PolarHBondContact O-N 3.08Å; I183-E186 WeakPolarHBondContact O-CB 3.29Å; I183-E186 PolarHBondContact O-N 3.17Å; E186-V188 VanDerWaalsContact C-N 3.31Å; E186-V188 PolarHBondContact O-N 2.95Å; E186-A189 WeakPolarHBondContact O-CB 3.48Å; E186-A189 PolarHBondContact O-N 3.21Å; E186-A189 VanDerWaalsContact O-N 3.08Å; E186-E190 WeakPolarHBondContact O-CB 3.48Å; E186-E190 WeakPolarHBondContact O-CG 3.37Å; E186-E190 PolarHBondContact O-N 2.75Å; E186-K265 HydrophobicContact CG-CB 4.25Å; E186-G268 WeakPolarHBondContact OE1-CA 3.48Å; E186-S269 VanDerWaalsContact CD-N 3.3Å; E186-S269 PolarHBondContact OE1-N 3.49Å; E186-S269 PolarHBondContact OE2-N 3.47Å; E186-S269 PolarHBondContact OE2-OG 3.37Å; E186-T270 VanDerWaalsContact CD-OG1 3.32Å; E186-T270 VanDerWaalsContact OE1-CB 3.25Å; E186-T270 WeakPolarHBondContact OE1-CB 3.38Å; E186-T270 PolarHBondContact OE1-N 3.08Å; E186-T270 PolarHBondContact OE1-OG1 3.26Å; E186-T270 PolarHBondContact OE2-N 3.3Å
187	N	98.7	Very high	98.1	Very high	31 Å²	31	50.3 Å²	50.3	17%	0.166	27%	0.268	C	S	.	.	H	α-helix	trans	-59	-41.6	178.1	-67.7	-15.5	0	0	0	112.1	I183 T184 R191 D315 I316	I183-N187 VanDerWaalsContact O-CG 3.26Å; I183-N187 PolarHBondContact O-N 3.15Å; I183-N187 PolarHBondContact O-OD1 3.07Å; T184-N187 PolarHBondContact O-N 2.93Å; N187-R191 WeakPolarHBondContact O-CB 3.23Å; N187-R191 PolarHBondContact O-N 3.42Å; N187-D315 WeakPolarHBondContact CB-O 3.28Å; N187-D315 PolarHBondContact ND2-O 3.33Å; N187-I316 HydrophobicContact CB-CG2 3.81Å
188	V	98.8	Very high	98.2	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-65.4	-44	174.6	170	0	0	0	0	110.6	T184 S185 E186 F192 I316 I319 Q351 Y354	T184-V188 VanDerWaalsContact O-CG2 3.31Å; T184-V188 WeakPolarHBondContact O-CG2 3.27Å; T184-V188 PolarHBondContact O-N 2.84Å; S185-V188 PolarHBondContact O-N 2.9Å; E186-V188 VanDerWaalsContact C-N 3.31Å; E186-V188 PolarHBondContact O-N 2.95Å; V188-F192 HydrophobicContact CB-CD2 4.43Å; V188-F192 HydrophobicContact CG1-CD2 3.94Å; V188-F192 HydrophobicContact CG1-CE2 4.45Å; V188-F192 VanDerWaalsContact O-CD2 3.29Å; V188-F192 WeakPolarHBondContact O-CD2 3.34Å; V188-F192 PolarHBondContact O-N 2.98Å; V188-F192 VanDerWaalsContact O-N 3.11Å; V188-I316 HydrophobicContact CG2-CB 3.84Å; V188-I316 HydrophobicContact CG2-CG2 3.94Å; V188-I319 HydrophobicContact CG2-CG2 4.21Å; V188-Q351 HydrophobicContact CG1-CB 4.19Å; V188-Y354 HydrophobicContact CG1-CG 4.33Å
189	A	98.8	Very high	98.3	Very high	5 Å²	5	47.3 Å²	47.3	4%	0.041	25%	0.246	C	C	.	.	H	α-helix	trans	-61.2	-48.1	179.1	0	0	0	0	0	112.1	S185 E186 G193 I194	S185-A189 WeakPolarHBondContact O-CB 3.44Å; S185-A189 PolarHBondContact O-N 2.85Å; E186-A189 WeakPolarHBondContact O-CB 3.48Å; E186-A189 PolarHBondContact O-N 3.21Å; E186-A189 VanDerWaalsContact O-N 3.08Å; A189-G193 WeakPolarHBondContact O-CA 3.43Å; A189-G193 PolarHBondContact O-N 3.46Å; A189-I194 HydrophobicContact CB-CB 4.45Å; A189-I194 PolarHBondContact O-N 3.16Å
190	E	98.5	Very high	98.4	Very high	107 Å²	107	45.4 Å²	45.4	50%	0.5	24%	0.236	S	C	.	.	H	α-helix	trans	-66.3	-47.3	179.6	-70	176	-175.7	0	0	111.5	E186 F192 K265	E186-E190 WeakPolarHBondContact O-CB 3.48Å; E186-E190 WeakPolarHBondContact O-CG 3.37Å; E186-E190 PolarHBondContact O-N 2.75Å; E190-F192 PolarHBondContact O-N 3.26Å; E190-K265 IonicContact OE1-NZ 2.7Å; E190-K265 PolarHBondContact OE1-NZ 3.5Å; E190-K265 IonicContact OE2-NZ 2.76Å; E190-K265 PolarHBondContact OE2-NZ 2.98Å
191	R	98.6	Very high	98.5	Very high	133 Å²	133	45 Å²	45	50%	0.502	23%	0.232	S	C	.	.	H	α-helix	trans	-70.7	-29.2	-174.1	-169	163	-62.6	150.6	7	113.8	N187 D315	N187-R191 WeakPolarHBondContact O-CB 3.23Å; N187-R191 PolarHBondContact O-N 3.42Å; R191-D315 IonicContact CZ-OD2 3.5Å; R191-D315 IonicContact NH1-OD2 2.76Å; R191-D315 PolarHBondContact NH1-OD2 2.83Å; R191-D315 IonicContact NH2-OD2 3.43Å
192	F	98.6	Very high	98.6	Very high	72 Å²	72	43.3 Å²	43.3	32%	0.316	22%	0.223	S	C	.	.	H	α-helix	trans	-115.4	9.3	-176.5	-54.4	-66.4	0	0	0	113.7	V188 E190 I194 I316 I319 Y354	V188-F192 HydrophobicContact CB-CD2 4.43Å; V188-F192 HydrophobicContact CG1-CD2 3.94Å; V188-F192 HydrophobicContact CG1-CE2 4.45Å; V188-F192 VanDerWaalsContact O-CD2 3.29Å; V188-F192 WeakPolarHBondContact O-CD2 3.34Å; V188-F192 PolarHBondContact O-N 2.98Å; V188-F192 VanDerWaalsContact O-N 3.11Å; E190-F192 PolarHBondContact O-N 3.26Å; F192-I194 HydrophobicContact CB-CG1 4.39Å; F192-I316 HydrophobicContact CE2-CD1 4.44Å; F192-I316 HydrophobicContact CZ-CD1 4.26Å; F192-I319 HydrophobicContact CD2-CG2 4.46Å; F192-I319 HydrophobicContact CE2-CG2 3.62Å; F192-I319 HydrophobicContact CZ-CG2 4.14Å; F192-Y354 HydrophobicContact CB-CD2 3.59Å; F192-Y354 HydrophobicContact CB-CE2 3.86Å; F192-Y354 HydrophobicContact CD1-CD2 4.21Å; F192-Y354 AromaticContact CD1-CE2 3.56Å; F192-Y354 HydrophobicContact CD1-CE2 3.56Å; F192-Y354 AromaticContact CD2-CD2 3.75Å; F192-Y354 HydrophobicContact CD2-CD2 3.75Å; F192-Y354 AromaticContact CD2-CE2 3.66Å; F192-Y354 HydrophobicContact CD2-CE2 3.66Å; F192-Y354 HydrophobicContact CD2-CG 4.31Å; F192-Y354 AromaticContact CE1-CE2 3.95Å; F192-Y354 HydrophobicContact CE1-CE2 3.95Å; F192-Y354 HydrophobicContact CE2-CD2 4.48Å; F192-Y354 HydrophobicContact CE2-CE2 4.05Å; F192-Y354 AromaticContact CG-CD2 3.58Å; F192-Y354 HydrophobicContact CG-CD2 3.58Å; F192-Y354 AromaticContact CG-CE2 3.39Å; F192-Y354 HydrophobicContact CG-CE2 3.39Å; F192-Y354 HydrophobicContact CZ-CE2 4.18Å
193	G	98.2	Very high	98.6	Very high	59 Å²	59	43.2 Å²	43.2	61%	0.608	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.9	38.3	173.5	0	0	0	0	0	114.3	A189 S195	A189-G193 WeakPolarHBondContact O-CA 3.43Å; A189-G193 PolarHBondContact O-N 3.46Å; G193-S195 PolarHBondContact O-N 3.34Å
194	I	98.7	Very high	98.7	Very high	6 Å²	6	42.3 Å²	42.3	3%	0.031	22%	0.217	C	C	.	.			trans	-88.1	95.8	178.9	-46.9	-59	0	0	0	109.6	A189 F192 K198 Q199 A353	A189-I194 HydrophobicContact CB-CB 4.45Å; A189-I194 PolarHBondContact O-N 3.16Å; F192-I194 HydrophobicContact CB-CG1 4.39Å; I194-K198 HydrophobicContact CG2-CB 4.47Å; I194-K198 HydrophobicContact CG2-CD 4.12Å; I194-K198 HydrophobicContact CG2-CG 4.4Å; I194-Q199 HydrophobicContact CG2-CG 3.97Å; I194-Q199 PolarHBondContact O-NE2 3.33Å; I194-A353 HydrophobicContact CG2-CB 4.08Å
195	S	98.5	Very high	98.7	Very high	58 Å²	58	44 Å²	44	41%	0.406	23%	0.232	S	C	.	.			trans	-59.8	155.6	-176	73.2	0	0	0	0	113.6	G193 E197 K198 Q199	G193-S195 PolarHBondContact O-N 3.34Å; S195-E197 VanDerWaalsContact C-N 3.28Å; S195-E197 PolarHBondContact O-N 3.18Å; S195-K198 WeakPolarHBondContact O-CB 3.5Å; S195-K198 PolarHBondContact O-N 3.42Å; S195-K198 VanDerWaalsContact O-N 3.14Å; S195-K198 WeakPolarHBondContact OG-CB 3.5Å; S195-K198 PolarHBondContact OG-N 2.73Å; S195-Q199 WeakPolarHBondContact O-CG 3.49Å; S195-Q199 PolarHBondContact O-N 3.46Å
196	R	98.5	Very high	98.7	Very high	59 Å²	59	43.9 Å²	43.9	22%	0.223	23%	0.231	C	C	.	.	H	α-helix	trans	-54.3	-43.4	172.6	172.1	58.7	180	-80.4	-5.7	112.4	K198 Q199 D200 L257 A258 L260 S269 T271	R196-K198 VanDerWaalsContact C-N 3.32Å; R196-K198 PolarHBondContact O-N 3.12Å; R196-Q199 WeakPolarHBondContact O-CB 3.46Å; R196-Q199 PolarHBondContact O-N 3.43Å; R196-D200 IonicContact CZ-OD2 3.83Å; R196-D200 IonicContact NE-OD1 3.58Å; R196-D200 PolarHBondContact NE-OD1 2.85Å; R196-D200 VanDerWaalsContact NE-OD1 3.1Å; R196-D200 IonicContact NE-OD2 2.74Å; R196-D200 PolarHBondContact NE-OD2 3.14Å; R196-D200 IonicContact NH2-OD2 3.15Å; R196-D200 PolarHBondContact NH2-OD2 2.94Å; R196-D200 PolarHBondContact O-N 3Å; R196-L257 PolarHBondContact NH2-O 3.05Å; R196-A258 PolarHBondContact NH2-O 3.46Å; R196-L260 PolarHBondContact NH1-O 3.11Å; R196-L260 PolarHBondContact NH2-O 2.87Å; R196-S269 WeakPolarHBondContact CD-O 3.43Å; R196-T271 VanDerWaalsContact CZ-CG2 3.42Å
197	E	98.6	Very high	98.7	Very high	137 Å²	137	44.4 Å²	44.4	64%	0.64	23%	0.234	S	C	*	.	H	α-helix	trans	-60.5	-41.6	177.8	-175.7	-178.3	-174.7	0	0	112	S195 Q199 D200 T201 M254	S195-E197 VanDerWaalsContact C-N 3.28Å; S195-E197 PolarHBondContact O-N 3.18Å; E197-Q199 VanDerWaalsContact C-N 3.35Å; E197-D200 PolarHBondContact O-N 3.26Å; E197-T201 VanDerWaalsContact O-CB 3.27Å; E197-T201 WeakPolarHBondContact O-CB 3.3Å; E197-T201 PolarHBondContact O-N 3.22Å; E197-T201 PolarHBondContact O-OG1 3.48Å; E197-M254 HydrophobicContact CB-CE 4.47Å; E197-M254 HydrophobicContact CG-CE 3.89Å
198	K	98.6	Very high	98.7	Very high	74 Å²	74	47.3 Å²	47.3	32%	0.322	25%	0.246	S	C	.	.	H	α-helix	trans	-65.4	-39.9	177.3	-170.6	175.9	-76.7	-173.2	0	111.4	I194 S195 R196 F202 A353 E357	I194-K198 HydrophobicContact CG2-CB 4.47Å; I194-K198 HydrophobicContact CG2-CD 4.12Å; I194-K198 HydrophobicContact CG2-CG 4.4Å; S195-K198 WeakPolarHBondContact O-CB 3.5Å; S195-K198 PolarHBondContact O-N 3.42Å; S195-K198 VanDerWaalsContact O-N 3.14Å; S195-K198 WeakPolarHBondContact OG-CB 3.5Å; S195-K198 PolarHBondContact OG-N 2.73Å; R196-K198 VanDerWaalsContact C-N 3.32Å; R196-K198 PolarHBondContact O-N 3.12Å; K198-F202 WeakPolarHBondContact O-CB 3.4Å; K198-F202 PolarHBondContact O-N 3.25Å; K198-A353 HydrophobicContact CG-CB 4.41Å; K198-E357 VanDerWaalsContact CD-OE1 3.26Å; K198-E357 WeakPolarHBondContact CD-OE1 3.49Å; K198-E357 WeakPolarHBondContact CE-OE1 3.28Å; K198-E357 VanDerWaalsContact NZ-CD 3.25Å; K198-E357 IonicContact NZ-OE1 2.63Å; K198-E357 PolarHBondContact NZ-OE1 3.42Å; K198-E357 IonicContact NZ-OE2 3.1Å; K198-E357 PolarHBondContact NZ-OE2 2.94Å
199	Q	98.8	Very high	98.7	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63.2	-48.1	175.3	-67.3	179.2	57.1	0	0	112.1	I194 S195 R196 E197 F202 A203 S269 N274 A349	I194-Q199 HydrophobicContact CG2-CG 3.97Å; I194-Q199 PolarHBondContact O-NE2 3.33Å; S195-Q199 WeakPolarHBondContact O-CG 3.49Å; S195-Q199 PolarHBondContact O-N 3.46Å; R196-Q199 WeakPolarHBondContact O-CB 3.46Å; R196-Q199 PolarHBondContact O-N 3.43Å; E197-Q199 VanDerWaalsContact C-N 3.35Å; Q199-F202 PolarHBondContact O-N 2.95Å; Q199-A203 PolarHBondContact O-N 3.31Å; Q199-S269 VanDerWaalsContact NE2-CB 3.3Å; Q199-S269 PolarHBondContact NE2-OG 3.07Å; Q199-N274 HydrophobicContact CB-CB 4.24Å; Q199-A349 HydrophobicContact CB-CB 3.83Å; Q199-A349 HydrophobicContact CG-CB 4.26Å; Q199-A349 WeakPolarHBondContact O-CB 3.22Å
200	D	98.8	Very high	98.7	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-69.6	-35.6	-179.2	-72.4	2.4	0	0	0	111.7	R196 E197 F202 A203 L204 M254 L257 A258 N274	R196-D200 IonicContact CZ-OD2 3.83Å; R196-D200 IonicContact NE-OD1 3.58Å; R196-D200 PolarHBondContact NE-OD1 2.85Å; R196-D200 VanDerWaalsContact NE-OD1 3.1Å; R196-D200 IonicContact NE-OD2 2.74Å; R196-D200 PolarHBondContact NE-OD2 3.14Å; R196-D200 IonicContact NH2-OD2 3.15Å; R196-D200 PolarHBondContact NH2-OD2 2.94Å; R196-D200 PolarHBondContact O-N 3Å; E197-D200 PolarHBondContact O-N 3.26Å; D200-F202 PolarHBondContact O-N 3.27Å; D200-A203 PolarHBondContact O-N 2.91Å; D200-L204 WeakPolarHBondContact O-CB 3.47Å; D200-L204 PolarHBondContact O-N 2.95Å; D200-M254 HydrophobicContact CB-CE 3.54Å; D200-M254 HydrophobicContact CB-SD 3.86Å; D200-L257 HydrophobicContact CB-CB 3.99Å; D200-L257 HydrophobicContact CB-CD1 4.17Å; D200-L257 VanDerWaalsContact O-CD1 3.27Å; D200-L257 WeakPolarHBondContact O-CD1 3.39Å; D200-A258 PolarHBondContact OD2-N 2.86Å; D200-N274 PolarHBondContact OD1-ND2 3.08Å
201	T	98.8	Very high	98.7	Very high	73 Å²	73	44.6 Å²	44.6	45%	0.448	24%	0.236	S	C	.	.	H	α-helix	trans	-61.4	-44.5	173.2	-61	0	0	0	0	111.2	E197 L204 A205	E197-T201 VanDerWaalsContact O-CB 3.27Å; E197-T201 WeakPolarHBondContact O-CB 3.3Å; E197-T201 PolarHBondContact O-N 3.22Å; E197-T201 PolarHBondContact O-OG1 3.48Å; T201-L204 PolarHBondContact O-N 3.15Å; T201-A205 WeakPolarHBondContact O-CB 3.25Å; T201-A205 PolarHBondContact O-N 2.97Å
202	F	98.7	Very high	98.7	Very high	38 Å²	38	44.3 Å²	44.3	17%	0.167	23%	0.234	C	C	.	.	H	α-helix	trans	-61.6	-44.7	176.2	-169.2	-77.5	0	0	0	111.3	K198 Q199 D200 A205 S206 E346 A349 A352 A353 V356	K198-F202 WeakPolarHBondContact O-CB 3.4Å; K198-F202 PolarHBondContact O-N 3.25Å; Q199-F202 PolarHBondContact O-N 2.95Å; D200-F202 PolarHBondContact O-N 3.27Å; F202-A205 PolarHBondContact O-N 3.46Å; F202-S206 PolarHBondContact O-N 3.03Å; F202-E346 HydrophobicContact CE1-CB 4.41Å; F202-E346 HydrophobicContact CE1-CG 3.82Å; F202-E346 WeakPolarHBondContact CE1-OE1 3.32Å; F202-E346 HydrophobicContact CZ-CG 4.37Å; F202-A349 HydrophobicContact CB-CB 4.26Å; F202-A349 HydrophobicContact CD1-CB 4.28Å; F202-A352 HydrophobicContact CD1-CB 4.43Å; F202-A352 HydrophobicContact CE1-CB 3.71Å; F202-A352 HydrophobicContact CE2-CB 4.17Å; F202-A352 HydrophobicContact CZ-CB 3.57Å; F202-A353 HydrophobicContact CD2-CB 4.19Å; F202-V356 HydrophobicContact CE2-CG2 4.42Å
203	A	98.8	Very high	98.7	Very high	1 Å²	1	41 Å²	41	1%	0.008	22%	0.22	C	C	.	.	H	α-helix	trans	-62.3	-44.2	177.9	0	0	0	0	0	112.8	Q199 D200 S206 Q207 L257 G273 N274 V373	Q199-A203 PolarHBondContact O-N 3.31Å; D200-A203 PolarHBondContact O-N 2.91Å; A203-S206 WeakPolarHBondContact O-CB 3.35Å; A203-S206 PolarHBondContact O-N 2.86Å; A203-Q207 PolarHBondContact O-N 3.22Å; A203-L257 HydrophobicContact CB-CD1 4.15Å; A203-G273 WeakPolarHBondContact CB-O 3.17Å; A203-N274 HydrophobicContact CB-CB 4.01Å; A203-V373 HydrophobicContact CB-CG1 3.78Å
204	L	98.8	Very high	98.7	Very high	27 Å²	27	40.3 Å²	40.3	14%	0.141	20%	0.201	C	C	.	.	H	α-helix	trans	-60.6	-46.3	176.1	-179.6	60.9	0	0	0	111.1	D200 T201 S206 Q207 Q208 T252 M254 L257	D200-L204 WeakPolarHBondContact O-CB 3.47Å; D200-L204 PolarHBondContact O-N 2.95Å; T201-L204 PolarHBondContact O-N 3.15Å; L204-S206 VanDerWaalsContact C-N 3.29Å; L204-S206 PolarHBondContact O-N 3.12Å; L204-Q207 PolarHBondContact O-N 2.84Å; L204-Q208 HydrophobicContact CD1-CG 4.18Å; L204-Q208 HydrophobicContact CG-CG 4.42Å; L204-Q208 WeakPolarHBondContact O-CB 3.28Å; L204-Q208 VanDerWaalsContact O-CG 3.28Å; L204-Q208 WeakPolarHBondContact O-CG 3.16Å; L204-Q208 PolarHBondContact O-N 2.96Å; L204-T252 HydrophobicContact CD1-CG2 4.16Å; L204-T252 WeakPolarHBondContact CD1-O 3.48Å; L204-M254 HydrophobicContact CD2-CB 4.18Å; L204-L257 HydrophobicContact CB-CD1 3.96Å
205	A	98.8	Very high	98.7	Very high	39 Å²	39	44.7 Å²	44.7	32%	0.322	23%	0.233	S	C	.	.	H	α-helix	trans	-60.7	-39.3	177.1	0	0	0	0	0	111.9	T201 F202 K209	T201-A205 WeakPolarHBondContact O-CB 3.25Å; T201-A205 PolarHBondContact O-N 2.97Å; F202-A205 PolarHBondContact O-N 3.46Å; A205-K209 WeakPolarHBondContact O-CB 3.37Å; A205-K209 WeakPolarHBondContact O-CE 3.22Å; A205-K209 VanDerWaalsContact O-CG 3.26Å; A205-K209 WeakPolarHBondContact O-CG 3.5Å; A205-K209 PolarHBondContact O-N 3.15Å
206	S	98.9	Very high	98.7	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.9	-50.3	175.3	-175.2	0	0	0	0	111.9	F202 A203 L204 Q208 K209 A210 E346 G370 G371	F202-S206 PolarHBondContact O-N 3.03Å; A203-S206 WeakPolarHBondContact O-CB 3.35Å; A203-S206 PolarHBondContact O-N 2.86Å; L204-S206 VanDerWaalsContact C-N 3.29Å; L204-S206 PolarHBondContact O-N 3.12Å; S206-Q208 PolarHBondContact O-N 2.85Å; S206-K209 PolarHBondContact O-N 3.24Å; S206-A210 WeakPolarHBondContact O-CB 3.45Å; S206-A210 PolarHBondContact O-N 3.28Å; S206-E346 VanDerWaalsContact CB-OE2 3.31Å; S206-E346 WeakPolarHBondContact CB-OE2 3.47Å; S206-E346 PolarHBondContact OG-OE1 2.93Å; S206-E346 PolarHBondContact OG-OE2 3.47Å; S206-G370 WeakPolarHBondContact O-CA 3.5Å; S206-G371 PolarHBondContact OG-N 3Å
207	Q	98.8	Very high	98.7	Very high	13 Å²	13	47.8 Å²	47.8	6%	0.061	25%	0.245	C	C	.	.	H	α-helix	trans	-60	-43.6	177.7	-76.5	-72.8	5.7	0	0	112.6	A203 L204 A210 A211 G247 T252 A374	A203-Q207 PolarHBondContact O-N 3.22Å; L204-Q207 PolarHBondContact O-N 2.84Å; Q207-A210 PolarHBondContact O-N 3.28Å; Q207-A211 WeakPolarHBondContact O-CB 3.45Å; Q207-A211 PolarHBondContact O-N 2.84Å; Q207-G247 PolarHBondContact NE2-O 3.47Å; Q207-T252 HydrophobicContact CB-CG2 4.5Å; Q207-T252 HydrophobicContact CG-CG2 4.25Å; Q207-A374 HydrophobicContact CG-CB 4.16Å
208	Q	98.8	Very high	98.7	Very high	91 Å²	91	42 Å²	42	43%	0.425	22%	0.22	S	C	.	.	H	α-helix	trans	-66.6	-42	178.7	-72.1	178.1	-7.9	0	0	112.5	L204 S206 R212	L204-Q208 HydrophobicContact CD1-CG 4.18Å; L204-Q208 HydrophobicContact CG-CG 4.42Å; L204-Q208 WeakPolarHBondContact O-CB 3.28Å; L204-Q208 VanDerWaalsContact O-CG 3.28Å; L204-Q208 WeakPolarHBondContact O-CG 3.16Å; L204-Q208 PolarHBondContact O-N 2.96Å; S206-Q208 PolarHBondContact O-N 2.85Å; Q208-R212 WeakPolarHBondContact O-CG 3.49Å; Q208-R212 PolarHBondContact O-N 3.45Å; Q208-R212 VanDerWaalsContact O-N 3.11Å
209	K	98.8	Very high	98.7	Very high	36 Å²	36	38.8 Å²	38.8	16%	0.157	21%	0.206	C	C	.	.	H	α-helix	trans	-62.4	-46	175.2	-75.2	-178.8	-65.6	175.1	0	110.9	A205 S206 R212 A213 V366 N367 G370	A205-K209 WeakPolarHBondContact O-CB 3.37Å; A205-K209 WeakPolarHBondContact O-CE 3.22Å; A205-K209 VanDerWaalsContact O-CG 3.26Å; A205-K209 WeakPolarHBondContact O-CG 3.5Å; A205-K209 PolarHBondContact O-N 3.15Å; S206-K209 PolarHBondContact O-N 3.24Å; K209-R212 VanDerWaalsContact CG-NH2 3.31Å; K209-R212 PolarHBondContact O-N 3.19Å; K209-A213 WeakPolarHBondContact O-CB 3.38Å; K209-A213 PolarHBondContact O-N 2.93Å; K209-V366 PolarHBondContact NZ-O 2.89Å; K209-N367 WeakPolarHBondContact CD-O 3.49Å; K209-N367 WeakPolarHBondContact CE-O 3.48Å; K209-N367 PolarHBondContact NZ-O 3.45Å; K209-G370 VanDerWaalsContact CB-N 3.34Å
210	A	98.9	Very high	98.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-62.1	-44.9	178	0	0	0	0	0	112.6	S206 Q207 R212 A213 Q214 I248 L369 A374 L375	S206-A210 WeakPolarHBondContact O-CB 3.45Å; S206-A210 PolarHBondContact O-N 3.28Å; Q207-A210 PolarHBondContact O-N 3.28Å; A210-R212 VanDerWaalsContact C-N 3.34Å; A210-R212 PolarHBondContact O-N 3.01Å; A210-A213 PolarHBondContact O-N 2.97Å; A210-Q214 WeakPolarHBondContact O-CB 3.28Å; A210-Q214 PolarHBondContact O-N 2.67Å; A210-I248 HydrophobicContact CB-CD1 3.83Å; A210-I248 HydrophobicContact CB-CG1 3.95Å; A210-I248 HydrophobicContact CB-CG2 4.18Å; A210-L369 WeakPolarHBondContact CA-O 3.46Å; A210-L369 PolarHBondContact N-O 2.81Å; A210-A374 HydrophobicContact CB-CB 3.51Å; A210-L375 HydrophobicContact CB-CD2 4.28Å
211	A	98.8	Very high	98.7	Very high	20 Å²	20	49 Å²	49	17%	0.165	26%	0.264	C	S	.	.	H	α-helix	trans	-59.5	-43.8	176.5	0	0	0	0	0	112.2	Q207 S215 I248 P250	Q207-A211 WeakPolarHBondContact O-CB 3.45Å; Q207-A211 PolarHBondContact O-N 2.84Å; A211-S215 WeakPolarHBondContact O-CB 3.31Å; A211-S215 PolarHBondContact O-N 3.39Å; A211-S215 PolarHBondContact O-OG 2.93Å; A211-I248 HydrophobicContact CB-CG2 3.93Å; A211-P250 HydrophobicContact CB-CB 4.12Å; A211-P250 HydrophobicContact CB-CG 3.97Å
212	R	98.8	Very high	98.6	Very high	126 Å²	126	45.5 Å²	45.5	48%	0.475	24%	0.242	S	C	.	.	H	α-helix	trans	-66.8	-39	175.5	-71	-172.6	-59.7	-97.9	1.9	112.7	Q208 K209 A210 S215 K216	Q208-R212 WeakPolarHBondContact O-CG 3.49Å; Q208-R212 PolarHBondContact O-N 3.45Å; Q208-R212 VanDerWaalsContact O-N 3.11Å; K209-R212 VanDerWaalsContact CG-NH2 3.31Å; K209-R212 PolarHBondContact O-N 3.19Å; A210-R212 VanDerWaalsContact C-N 3.34Å; A210-R212 PolarHBondContact O-N 3.01Å; R212-S215 PolarHBondContact O-OG 2.77Å; R212-S215 VanDerWaalsContact O-OG 3.05Å; R212-K216 WeakPolarHBondContact O-CB 3.5Å; R212-K216 VanDerWaalsContact O-CG 3.28Å; R212-K216 WeakPolarHBondContact O-CG 3.28Å; R212-K216 PolarHBondContact O-N 2.93Å; R212-K216 VanDerWaalsContact O-N 3.08Å
213	A	98.8	Very high	98.7	Very high	3 Å²	3	44.2 Å²	44.2	3%	0.025	24%	0.237	C	C	.	.	H	α-helix	trans	-67.6	-43.3	179.3	0	0	0	0	0	111.3	K209 A210 K216 G217 C218 F219 L369	K209-A213 WeakPolarHBondContact O-CB 3.38Å; K209-A213 PolarHBondContact O-N 2.93Å; A210-A213 PolarHBondContact O-N 2.97Å; A213-K216 PolarHBondContact O-N 2.73Å; A213-G217 PolarHBondContact O-N 2.97Å; A213-C218 HydrophobicContact CB-CB 4.07Å; A213-C218 WeakPolarHBondContact O-CB 3.39Å; A213-C218 PolarHBondContact O-N 2.87Å; A213-F219 HydrophobicContact CB-CE1 4.28Å; A213-F219 HydrophobicContact CB-CE2 3.79Å; A213-F219 HydrophobicContact CB-CZ 3.57Å; A213-L369 HydrophobicContact CB-CB 3.84Å; A213-L369 HydrophobicContact CB-CD2 3.9Å; A213-L369 HydrophobicContact CB-CG 4.39Å
214	Q	98.6	Very high	98.7	Very high	45 Å²	45	45 Å²	45	21%	0.21	24%	0.242	C	C	.	.	H	α-helix	trans	-64	-43.5	176	-174.9	162.5	-80.3	0	0	111.5	A210 K216 G217 F219 I248	A210-Q214 WeakPolarHBondContact O-CB 3.28Å; A210-Q214 PolarHBondContact O-N 2.67Å; Q214-K216 VanDerWaalsContact C-N 3.31Å; Q214-K216 PolarHBondContact O-N 3Å; Q214-G217 PolarHBondContact O-N 2.86Å; Q214-G217 VanDerWaalsContact O-N 3.09Å; Q214-F219 HydrophobicContact CB-CD2 4.07Å; Q214-F219 HydrophobicContact CB-CE2 4.11Å; Q214-I248 HydrophobicContact CB-CD1 3.92Å; Q214-I248 HydrophobicContact CG-CD1 4.46Å
215	S	98.4	Very high	98.7	Very high	98 Å²	98	47.2 Å²	47.2	69%	0.685	26%	0.257	S	S	*	.	H	α-helix	trans	-67	-30.4	178.5	69.2	0	0	0	0	113.5	A211 R212 G217	A211-S215 WeakPolarHBondContact O-CB 3.31Å; A211-S215 PolarHBondContact O-N 3.39Å; A211-S215 PolarHBondContact O-OG 2.93Å; R212-S215 PolarHBondContact O-OG 2.77Å; R212-S215 VanDerWaalsContact O-OG 3.05Å; S215-G217 VanDerWaalsContact C-N 3.26Å; S215-G217 PolarHBondContact O-N 3.21Å
216	K	98.5	Very high	98.7	Very high	164 Å²	164	45.7 Å²	45.7	71%	0.713	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-0.6	173	-71.6	179.9	178.8	-172.2	0	114	R212 A213 Q214 C218	R212-K216 WeakPolarHBondContact O-CB 3.5Å; R212-K216 VanDerWaalsContact O-CG 3.28Å; R212-K216 WeakPolarHBondContact O-CG 3.28Å; R212-K216 PolarHBondContact O-N 2.93Å; R212-K216 VanDerWaalsContact O-N 3.08Å; A213-K216 PolarHBondContact O-N 2.73Å; Q214-K216 VanDerWaalsContact C-N 3.31Å; Q214-K216 PolarHBondContact O-N 3Å; K216-C218 VanDerWaalsContact C-N 3.28Å; K216-C218 PolarHBondContact O-N 3.07Å
217	G	98.4	Very high	98.6	Very high	17 Å²	17	50.1 Å²	50.1	18%	0.175	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.8	17	-178.7	0	0	0	0	0	114.5	A213 Q214 S215 F219 Q220	A213-G217 PolarHBondContact O-N 2.97Å; Q214-G217 PolarHBondContact O-N 2.86Å; Q214-G217 VanDerWaalsContact O-N 3.09Å; S215-G217 VanDerWaalsContact C-N 3.26Å; S215-G217 PolarHBondContact O-N 3.21Å; G217-F219 PolarHBondContact O-N 2.86Å; G217-F219 VanDerWaalsContact O-N 3.07Å; G217-Q220 WeakPolarHBondContact O-CB 3.34Å; G217-Q220 WeakPolarHBondContact O-CG 3.41Å; G217-Q220 PolarHBondContact O-N 3.35Å
218	C	98.6	Very high	98.6	Very high	16 Å²	16	50.4 Å²	50.4	11%	0.108	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-27.2	-177.5	-64.1	0	0	0	0	113.1	A213 K216 L369 R396	A213-C218 HydrophobicContact CB-CB 4.07Å; A213-C218 WeakPolarHBondContact O-CB 3.39Å; A213-C218 PolarHBondContact O-N 2.87Å; K216-C218 VanDerWaalsContact C-N 3.28Å; K216-C218 PolarHBondContact O-N 3.07Å; C218-L369 HydrophobicContact CB-CD1 4.45Å; C218-L369 HydrophobicContact CB-CD2 4.4Å; C218-R396 PolarHBondContact O-NH1 3.14Å
219	F	98.8	Very high	98.5	Very high	6 Å²	6	49 Å²	49	3%	0.026	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-5.9	-179.2	-53	-48.5	0	0	0	114.3	A213 Q214 G217 A221 E222 I223 I248 L369 L375 T389	A213-F219 HydrophobicContact CB-CE1 4.28Å; A213-F219 HydrophobicContact CB-CE2 3.79Å; A213-F219 HydrophobicContact CB-CZ 3.57Å; Q214-F219 HydrophobicContact CB-CD2 4.07Å; Q214-F219 HydrophobicContact CB-CE2 4.11Å; G217-F219 PolarHBondContact O-N 2.86Å; G217-F219 VanDerWaalsContact O-N 3.07Å; F219-A221 VanDerWaalsContact C-N 3.32Å; F219-A221 PolarHBondContact O-N 2.75Å; F219-E222 HydrophobicContact CB-CG 4.18Å; F219-E222 HydrophobicContact CD1-CG 4.46Å; F219-E222 WeakPolarHBondContact CD1-OE1 2.9Å; F219-E222 VanDerWaalsContact O-CG 3.22Å; F219-E222 WeakPolarHBondContact O-CG 3.43Å; F219-E222 PolarHBondContact O-N 3.35Å; F219-I223 HydrophobicContact CB-CD1 3.79Å; F219-I223 HydrophobicContact CB-CG1 4.25Å; F219-I223 WeakPolarHBondContact O-CB 3.45Å; F219-I223 WeakPolarHBondContact O-CG1 3.43Å; F219-I223 PolarHBondContact O-N 3.09Å; F219-I248 HydrophobicContact CE2-CD1 4.24Å; F219-L369 HydrophobicContact CE1-CB 3.9Å; F219-L369 HydrophobicContact CE1-CD1 4Å; F219-L369 HydrophobicContact CZ-CB 3.98Å; F219-L375 HydrophobicContact CE2-CD2 4.11Å; F219-L375 HydrophobicContact CZ-CD2 4.05Å; F219-T389 HydrophobicContact CE1-CG2 4.44Å
220	Q	98.3	Very high	98.5	Very high	157 Å²	157	47.5 Å²	47.5	73%	0.734	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-36.6	-174.5	-71	178.8	-4.1	0	0	112.9	G217	G217-Q220 WeakPolarHBondContact O-CB 3.34Å; G217-Q220 WeakPolarHBondContact O-CG 3.41Å; G217-Q220 PolarHBondContact O-N 3.35Å
221	A	98	Very high	98.3	Very high	59 Å²	59	50.5 Å²	50.5	49%	0.488	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-30	179.3	0	0	0	0	0	112.9	R44 F219	R44-A221 PolarHBondContact NE-O 3.1Å; F219-A221 VanDerWaalsContact C-N 3.32Å; F219-A221 PolarHBondContact O-N 2.75Å
222	E	98.7	Very high	97.8	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-31.5	-177.2	55.6	-173.1	-111.3	0	0	113.1	R44 R45 F219 I388 T389	R44-E222 WeakPolarHBondContact CA-O 3.34Å; R44-E222 PolarHBondContact NE-O 3.11Å; R45-E222 HydrophobicContact CG-CB 4.32Å; R45-E222 HydrophobicContact CG-CG 4.48Å; R45-E222 WeakPolarHBondContact CG-O 3.49Å; R45-E222 IonicContact CZ-OE1 3.79Å; R45-E222 PolarHBondContact N-O 3.44Å; R45-E222 IonicContact NE-OE1 3.6Å; R45-E222 PolarHBondContact NE-OE1 3.01Å; R45-E222 IonicContact NH2-OE1 3.83Å; R45-E222 PolarHBondContact NH2-OE1 2.95Å; R45-E222 VanDerWaalsContact NH2-OE1 3.08Å; F219-E222 HydrophobicContact CB-CG 4.18Å; F219-E222 HydrophobicContact CD1-CG 4.46Å; F219-E222 WeakPolarHBondContact CD1-OE1 2.9Å; F219-E222 VanDerWaalsContact O-CG 3.22Å; F219-E222 WeakPolarHBondContact O-CG 3.43Å; F219-E222 PolarHBondContact O-N 3.35Å; E222-I388 HydrophobicContact CB-CG2 3.48Å; E222-I388 VanDerWaalsContact CB-CG2 3.48Å; E222-T389 PolarHBondContact OE1-OG1 2.84Å; E222-T389 WeakPolarHBondContact OE2-CA 3.25Å
223	I	98.9	Very high	97.3	Very high	11 Å²	11	54.4 Å²	54.4	6%	0.056	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	127.2	-179.3	-69.4	175.4	0	0	0	111.1	R44 R45 A47 F219	R44-I223 PolarHBondContact NH2-O 3.47Å; R45-I223 HydrophobicContact CG-CG1 4.33Å; R45-I223 VanDerWaalsContact CZ-CG1 3.43Å; R45-I223 CarbonylContact O-C 3.59Å; R45-I223 VanDerWaalsContact O-CA 3.24Å; R45-I223 WeakPolarHBondContact O-CA 3.44Å; A47-I223 HydrophobicContact CB-CD1 4.42Å; A47-I223 HydrophobicContact CB-CG2 4.33Å; F219-I223 HydrophobicContact CB-CD1 3.79Å; F219-I223 HydrophobicContact CB-CG1 4.25Å; F219-I223 WeakPolarHBondContact O-CB 3.45Å; F219-I223 WeakPolarHBondContact O-CG1 3.43Å; F219-I223 PolarHBondContact O-N 3.09Å
224	V	98.9	Very high	97	Very high	18 Å²	18	63.2 Å²	63.2	11%	0.109	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	127.8	160	64.6	0	0	0	0	109.6	R45 V68 A71 V226	R45-V224 PolarHBondContact O-N 3.41Å; V68-V224 HydrophobicContact CG1-CG1 3.77Å; A71-V224 HydrophobicContact CB-CB 4.02Å; A71-V224 HydrophobicContact CB-CG1 4.39Å; A71-V224 HydrophobicContact CB-CG2 3.74Å; V224-V226 PolarHBondContact O-N 2.99Å
225	P	98.7	Very high	96.6	Very high	72 Å²	72	63.5 Å²	63.5	47%	0.468	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-58.3	132.1	169.4	-27.3	37.2	0	0	0	111.7	T241 V242 T243	P225-T241 HydrophobicContact CB-CG2 3.92Å; P225-V242 WeakPolarHBondContact CA-O 3.33Å; P225-T243 HydrophobicContact CB-CG2 3.97Å; P225-T243 HydrophobicContact CG-CG2 4.17Å
226	V	98.8	Very high	96.3	Very high	8 Å²	8	62.7 Å²	62.7	5%	0.048	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	118.1	175.9	-179.6	0	0	0	0	109	T46 F56 L64 A67 V224 T241 V242	T46-V226 HydrophobicContact CG2-CG2 3.65Å; F56-V226 HydrophobicContact CE1-CB 3.76Å; F56-V226 HydrophobicContact CE1-CG1 3.83Å; F56-V226 HydrophobicContact CE1-CG2 4.37Å; F56-V226 HydrophobicContact CZ-CB 3.77Å; F56-V226 HydrophobicContact CZ-CG1 4.19Å; F56-V226 HydrophobicContact CZ-CG2 3.91Å; L64-V226 HydrophobicContact CD2-CG1 4.4Å; A67-V226 HydrophobicContact CB-CG2 3.98Å; V224-V226 PolarHBondContact O-N 2.99Å; V226-T241 CarbonylContact O-C 3.55Å; V226-T241 WeakPolarHBondContact O-CA 3.35Å; V226-V242 PolarHBondContact N-O 3.42Å; V226-V242 VanDerWaalsContact N-O 3.09Å; V226-V242 PolarHBondContact O-N 2.85Å
227	T	98.6	Very high	96.2	Very high	92 Å²	92	61.8 Å²	61.8	56%	0.564	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.7	122.9	171.4	-59.3	0	0	0	0	108.7	I240 T241	T227-I240 WeakPolarHBondContact CA-O 3.37Å; T227-T241 PolarHBondContact OG1-OG1 2.96Å
228	T	98.3	Very high	96.1	Very high	19 Å²	19	67.8 Å²	67.8	12%	0.117	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	175.2	-175.1	-172.3	0	0	0	0	110.3	F56 T59 S239 I240	F56-T228 HydrophobicContact CD1-CG2 4.23Å; F56-T228 HydrophobicContact CE1-CG2 4.44Å; T59-T228 WeakPolarHBondContact OG1-CB 3.34Å; T59-T228 WeakPolarHBondContact OG1-CG2 3.43Å; T59-T228 PolarHBondContact OG1-OG1 3.23Å; T228-S239 WeakPolarHBondContact O-CA 3.27Å; T228-I240 HydrophobicContact CG2-CD1 4.35Å; T228-I240 HydrophobicContact CG2-CG1 3.93Å; T228-I240 PolarHBondContact N-O 2.79Å; T228-I240 PolarHBondContact O-N 2.79Å; T228-I240 VanDerWaalsContact O-O 3.13Å
229	T	97.2	Very high	96	Very high	63 Å²	63	71.2 Å²	71.2	39%	0.387	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	139.4	173.8	58.7	0	0	0	0	111.6	R238	T229-R238 WeakPolarHBondContact CA-O 3.33Å
230	V	96.8	Very high	96	Very high	4 Å²	4	73 Å²	73	2%	0.024	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	146.3	167.8	-63.7	0	0	0	0	110.6	G55 D58 K237 R238 I240	G55-V230 WeakPolarHBondContact O-CG1 3.24Å; D58-V230 VanDerWaalsContact OD2-CA 3.25Å; D58-V230 WeakPolarHBondContact OD2-CA 3.44Å; V230-K237 WeakPolarHBondContact O-CA 3.39Å; V230-R238 HydrophobicContact CG2-CG 3.55Å; V230-R238 PolarHBondContact N-O 3.34Å; V230-R238 PolarHBondContact O-N 2.99Å; V230-I240 HydrophobicContact CB-CD1 4.47Å; V230-I240 HydrophobicContact CG1-CD1 3.55Å; V230-I240 HydrophobicContact CG1-CG1 4.19Å; V230-I240 HydrophobicContact CG2-CD1 4.05Å; V230-I240 HydrophobicContact CG2-CG1 4.37Å; V230-I240 HydrophobicContact CG2-CG2 4.02Å
231	H	94.9	Very high	96	Very high	63 Å²	63	69.1 Å²	69.1	29%	0.292	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	127.4	170.6	-56.8	80.2	0	0	0	108.7	K57 D58 T236 K237	K57-H231 PolarHBondContact NZ-O 2.97Å; D58-H231 PolarHBondContact OD2-N 2.91Å; D58-H231 IonicContact OD2-ND1 3.04Å; D58-H231 PolarHBondContact OD2-ND1 3.25Å; H231-T236 WeakPolarHBondContact CA-O 3.32Å; H231-K237 VanDerWaalsContact CD2-CG 3.43Å; H231-K237 WeakPolarHBondContact CD2-CG 3.3Å; H231-K237 WeakPolarHBondContact NE2-CE 3.41Å; H231-K237 VanDerWaalsContact NE2-CG 3.32Å; H231-K237 WeakPolarHBondContact NE2-CG 3.24Å
232	D	89.5	Confident	96	Very high	49 Å²	49	66.9 Å²	66.9	26%	0.262	37%	0.365	S	S	.	.			trans	-73.9	174.4	167.2	71.8	10.7	0	0	0	111.6	K234 G235 T236	D232-K234 PolarHBondContact O-N 3.46Å; D232-K234 VanDerWaalsContact OD1-CA 3.32Å; D232-K234 WeakPolarHBondContact OD1-CA 3.46Å; D232-K234 WeakPolarHBondContact OD1-CB 3.48Å; D232-K234 PolarHBondContact OD1-N 2.75Å; D232-G235 PolarHBondContact O-N 3.14Å; D232-G235 PolarHBondContact OD1-N 2.94Å; D232-G235 VanDerWaalsContact OD1-N 3.08Å; D232-T236 PolarHBondContact N-O 2.7Å; D232-T236 WeakPolarHBondContact OD1-CB 3.29Å; D232-T236 PolarHBondContact OD1-N 2.84Å
233	D	88.3	Confident	96	Very high	179 Å²	179	70.4 Å²	70.4	96%	0.957	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-12.7	-179.6	-58.5	-30	0	0	0	113.1
234	K	91.8	Very high	96	Very high	188 Å²	188	75.3 Å²	75.3	82%	0.817	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	0.1	174.5	-57	178.6	-178.2	177.1	0	112.4	D232 T236	D232-K234 PolarHBondContact O-N 3.46Å; D232-K234 VanDerWaalsContact OD1-CA 3.32Å; D232-K234 WeakPolarHBondContact OD1-CA 3.46Å; D232-K234 WeakPolarHBondContact OD1-CB 3.48Å; D232-K234 PolarHBondContact OD1-N 2.75Å; K234-T236 VanDerWaalsContact C-N 3.3Å
235	G	89.7	Confident	96	Very high	50 Å²	50	74.7 Å²	74.7	52%	0.515	41%	0.405	S	S	.	.			trans	79.4	6.8	-176.1	0	0	0	0	0	114.5	D232 K237	D232-G235 PolarHBondContact O-N 3.14Å; D232-G235 PolarHBondContact OD1-N 2.94Å; D232-G235 VanDerWaalsContact OD1-N 3.08Å; G235-K237 PolarHBondContact O-N 3.24Å
236	T	93.6	Very high	96	Very high	81 Å²	81	73.8 Å²	73.8	50%	0.497	40%	0.395	S	S	.	.			trans	-76.1	123	178.8	-53	0	0	0	0	109.6	H231 D232 K234	H231-T236 WeakPolarHBondContact CA-O 3.32Å; D232-T236 PolarHBondContact N-O 2.7Å; D232-T236 WeakPolarHBondContact OD1-CB 3.29Å; D232-T236 PolarHBondContact OD1-N 2.84Å; K234-T236 VanDerWaalsContact C-N 3.3Å
237	K	95.6	Very high	96	Very high	145 Å²	145	73.4 Å²	73.4	63%	0.63	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.3	129.6	173.4	-73.4	-179.4	175	-179	0	110.3	V230 H231 G235	V230-K237 WeakPolarHBondContact O-CA 3.39Å; H231-K237 VanDerWaalsContact CD2-CG 3.43Å; H231-K237 WeakPolarHBondContact CD2-CG 3.3Å; H231-K237 WeakPolarHBondContact NE2-CE 3.41Å; H231-K237 VanDerWaalsContact NE2-CG 3.32Å; H231-K237 WeakPolarHBondContact NE2-CG 3.24Å; G235-K237 PolarHBondContact O-N 3.24Å
238	R	95.3	Very high	96	Very high	144 Å²	144	69.6 Å²	69.6	54%	0.543	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	139.6	168.5	65.5	179.3	-174.6	-139.7	-0.4	110.8	T229 V230 I240	T229-R238 WeakPolarHBondContact CA-O 3.33Å; V230-R238 HydrophobicContact CG2-CG 3.55Å; V230-R238 PolarHBondContact N-O 3.34Å; V230-R238 PolarHBondContact O-N 2.99Å; R238-I240 HydrophobicContact CG-CG2 4.22Å
239	S	97.5	Very high	96	Very high	87 Å²	87	73 Å²	73	61%	0.608	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.8	135.9	169.8	-174	0	0	0	0	109.8	T228	T228-S239 WeakPolarHBondContact O-CA 3.27Å
240	I	98.2	Very high	96	Very high	43 Å²	43	74.9 Å²	74.9	22%	0.221	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	154.8	174.1	63.9	167.9	0	0	0	109.5	T227 T228 V230 R238 V242	T227-I240 WeakPolarHBondContact CA-O 3.37Å; T228-I240 HydrophobicContact CG2-CD1 4.35Å; T228-I240 HydrophobicContact CG2-CG1 3.93Å; T228-I240 PolarHBondContact N-O 2.79Å; T228-I240 PolarHBondContact O-N 2.79Å; T228-I240 VanDerWaalsContact O-O 3.13Å; V230-I240 HydrophobicContact CB-CD1 4.47Å; V230-I240 HydrophobicContact CG1-CD1 3.55Å; V230-I240 HydrophobicContact CG1-CG1 4.19Å; V230-I240 HydrophobicContact CG2-CD1 4.05Å; V230-I240 HydrophobicContact CG2-CG1 4.37Å; V230-I240 HydrophobicContact CG2-CG2 4.02Å; R238-I240 HydrophobicContact CG-CG2 4.22Å; I240-V242 HydrophobicContact CD1-CG2 3.95Å; I240-V242 HydrophobicContact CG1-CG2 4.43Å
241	T	98.6	Very high	96.1	Very high	77 Å²	77	79.3 Å²	79.3	47%	0.472	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	118.6	169.2	-56.2	0	0	0	0	109.2	P225 V226 T227 T243	P225-T241 HydrophobicContact CB-CG2 3.92Å; V226-T241 CarbonylContact O-C 3.55Å; V226-T241 WeakPolarHBondContact O-CA 3.35Å; T227-T241 PolarHBondContact OG1-OG1 2.96Å; T241-T243 HydrophobicContact CG2-CG2 4.02Å
242	V	98.7	Very high	96.2	Very high	12 Å²	12	77.7 Å²	77.7	7%	0.073	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	123	-179.8	-174.5	0	0	0	0	109.5	A47 F56 P225 V226 I240	A47-V242 HydrophobicContact CB-CG1 3.76Å; F56-V242 HydrophobicContact CD1-CG2 4.01Å; F56-V242 HydrophobicContact CE1-CB 3.63Å; F56-V242 HydrophobicContact CE1-CG1 4.1Å; F56-V242 HydrophobicContact CE1-CG2 3.53Å; F56-V242 HydrophobicContact CZ-CB 3.86Å; F56-V242 HydrophobicContact CZ-CG1 3.97Å; F56-V242 HydrophobicContact CZ-CG2 4.24Å; P225-V242 WeakPolarHBondContact CA-O 3.33Å; V226-V242 PolarHBondContact N-O 3.42Å; V226-V242 VanDerWaalsContact N-O 3.09Å; V226-V242 PolarHBondContact O-N 2.85Å; I240-V242 HydrophobicContact CD1-CG2 3.95Å; I240-V242 HydrophobicContact CG1-CG2 4.43Å
243	T	98.6	Very high	96.7	Very high	74 Å²	74	78.8 Å²	78.8	45%	0.454	43%	0.427	S	S	.	.			trans	-129	-4.9	-175.4	60.9	0	0	0	0	114.5	P225 T241	P225-T243 HydrophobicContact CB-CG2 3.97Å; P225-T243 HydrophobicContact CG-CG2 4.17Å; T241-T243 HydrophobicContact CG2-CG2 4.02Å
244	Q	98.6	Very high	97.2	Very high	114 Å²	114	73.3 Å²	73.3	53%	0.533	40%	0.396	S	S	.	.	S	Bend	trans	-137.7	149.3	-174.7	-69	-173.3	-8.5	0	0	111.5	A47 E246	A47-Q244 WeakPolarHBondContact CB-O 3.49Å; Q244-E246 PolarHBondContact O-N 3.25Å
245	D	98.8	Very high	97.5	Very high	4 Å²	4	70.4 Å²	70.4	2%	0.021	39%	0.386	C	S	.	.			trans	-69.3	118.3	177	-64.8	-49.7	0	0	0	110	R45 A47 I48 G247 I248 L375	R45-D245 IonicContact CZ-OD1 3.61Å; R45-D245 IonicContact CZ-OD2 2.75Å; R45-D245 IonicContact NH1-OD1 3.16Å; R45-D245 PolarHBondContact NH1-OD1 3.1Å; R45-D245 IonicContact NH1-OD2 3.29Å; R45-D245 PolarHBondContact NH1-OD2 3.17Å; R45-D245 IonicContact NH2-OD1 3.51Å; R45-D245 IonicContact NH2-OD2 2.65Å; R45-D245 PolarHBondContact NH2-OD2 3.22Å; A47-D245 WeakPolarHBondContact CA-OD1 3.44Å; I48-D245 PolarHBondContact N-OD1 2.85Å; D245-G247 VanDerWaalsContact C-N 3.29Å; D245-G247 PolarHBondContact O-N 2.88Å; D245-I248 HydrophobicContact CB-CD1 4.13Å; D245-I248 HydrophobicContact CB-CG1 4.28Å; D245-L375 HydrophobicContact CB-CD2 4.19Å
246	E	98.2	Very high	97.9	Very high	54 Å²	54	69.7 Å²	69.7	25%	0.252	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-11.7	-171.5	-65.1	-176.9	164.9	0	0	113.8	I48 C49 R50 G54 G55 Q244 I248 R249	I48-E246 PolarHBondContact O-N 3.5Å; C49-E246 WeakPolarHBondContact CA-OE2 3.47Å; C49-E246 HydrophobicContact CB-CG 4.38Å; C49-E246 VanDerWaalsContact CB-OE2 3.27Å; C49-E246 WeakPolarHBondContact CB-OE2 3.25Å; C49-E246 PolarHBondContact SG-OE1 3.46Å; C49-E246 VanDerWaalsContact SG-OE1 3.33Å; R50-E246 HydrophobicContact CG-CB 4.37Å; R50-E246 PolarHBondContact N-OE2 3.18Å; R50-E246 VanDerWaalsContact N-OE2 3.14Å; G54-E246 WeakPolarHBondContact CA-OE2 3.22Å; G55-E246 WeakPolarHBondContact CA-OE1 3.39Å; G55-E246 PolarHBondContact N-OE1 3.16Å; G55-E246 PolarHBondContact N-OE2 3Å; Q244-E246 PolarHBondContact O-N 3.25Å; E246-I248 VanDerWaalsContact C-N 3.34Å; E246-R249 PolarHBondContact O-NH1 3.14Å; E246-R249 PolarHBondContact O-NH2 2.91Å
247	G	98.3	Very high	98.1	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-18.8	-176.8	0	0	0	0	0	113.7	Q207 D245 R249 Q277 A374	Q207-G247 PolarHBondContact NE2-O 3.47Å; D245-G247 VanDerWaalsContact C-N 3.29Å; D245-G247 PolarHBondContact O-N 2.88Å; G247-R249 PolarHBondContact O-N 3.45Å; G247-Q277 VanDerWaalsContact CA-OE1 3.28Å; G247-Q277 PolarHBondContact O-NE2 3.37Å; G247-A374 CarbonylContact C-O 3.54Å; G247-A374 WeakPolarHBondContact CA-O 3.47Å; G247-A374 VanDerWaalsContact O-O 3.13Å
248	I	98.7	Very high	98.3	Very high	11 Å²	11	62 Å²	62	6%	0.056	35%	0.349	C	S	.	.			trans	-70.9	127.6	-173.7	-54.3	-180	0	0	0	109.5	A210 A211 Q214 F219 D245 E246 A374 L375	A210-I248 HydrophobicContact CB-CD1 3.83Å; A210-I248 HydrophobicContact CB-CG1 3.95Å; A210-I248 HydrophobicContact CB-CG2 4.18Å; A211-I248 HydrophobicContact CB-CG2 3.93Å; Q214-I248 HydrophobicContact CB-CD1 3.92Å; Q214-I248 HydrophobicContact CG-CD1 4.46Å; F219-I248 HydrophobicContact CE2-CD1 4.24Å; D245-I248 HydrophobicContact CB-CD1 4.13Å; D245-I248 HydrophobicContact CB-CG1 4.28Å; E246-I248 VanDerWaalsContact C-N 3.34Å; I248-A374 PolarHBondContact N-O 3.35Å; I248-L375 HydrophobicContact CD1-CD2 3.93Å; I248-L375 HydrophobicContact CG1-CD2 4.18Å
249	R	98.4	Very high	98.4	Very high	90 Å²	90	62.3 Å²	62.3	34%	0.34	35%	0.354	S	S	.	.			trans	-126.9	87.8	-178.7	-68.2	-68.9	175.7	-74.6	-0.1	109.1	E246 G247 S251 T252	E246-R249 PolarHBondContact O-NH1 3.14Å; E246-R249 PolarHBondContact O-NH2 2.91Å; G247-R249 PolarHBondContact O-N 3.45Å; R249-S251 PolarHBondContact O-N 3.48Å; R249-S251 VanDerWaalsContact O-N 3.08Å; R249-T252 WeakPolarHBondContact CB-OG1 3.4Å; R249-T252 WeakPolarHBondContact O-CB 3.37Å; R249-T252 PolarHBondContact O-N 2.9Å; R249-T252 PolarHBondContact O-OG1 3.35Å
250	P	97.7	Very high	98.5	Very high	104 Å²	104	61.3 Å²	61.3	68%	0.675	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-22.1	178.6	-22.8	33.4	0	0	0	113.6	A211 T252	A211-P250 HydrophobicContact CB-CB 4.12Å; A211-P250 HydrophobicContact CB-CG 3.97Å; P250-T252 PolarHBondContact O-N 2.81Å
251	S	98.3	Very high	98.5	Very high	96 Å²	96	67.8 Å²	67.8	67%	0.671	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	1.3	176.4	64.3	0	0	0	0	114.4	R249 T253	R249-S251 PolarHBondContact O-N 3.48Å; R249-S251 VanDerWaalsContact O-N 3.08Å; S251-T253 PolarHBondContact O-N 2.99Å
252	T	98.4	Very high	98.5	Very high	30 Å²	30	66.4 Å²	66.4	18%	0.184	36%	0.36	C	S	.	.			trans	-64.7	127.6	177.9	-54.9	0	0	0	0	109.6	L204 Q207 R249 P250 L257	L204-T252 HydrophobicContact CD1-CG2 4.16Å; L204-T252 WeakPolarHBondContact CD1-O 3.48Å; Q207-T252 HydrophobicContact CB-CG2 4.5Å; Q207-T252 HydrophobicContact CG-CG2 4.25Å; R249-T252 WeakPolarHBondContact CB-OG1 3.4Å; R249-T252 WeakPolarHBondContact O-CB 3.37Å; R249-T252 PolarHBondContact O-N 2.9Å; R249-T252 PolarHBondContact O-OG1 3.35Å; P250-T252 PolarHBondContact O-N 2.81Å; T252-L257 HydrophobicContact CG2-CD1 3.81Å; T252-L257 HydrophobicContact CG2-CD2 3.82Å; T252-L257 HydrophobicContact CG2-CG 3.72Å
253	T	98.6	Very high	98.4	Very high	72 Å²	72	68.3 Å²	68.3	44%	0.442	38%	0.378	S	S	.	.			trans	-126.1	158	176.5	64.9	0	0	0	0	110.4	S251 E255 G256 L257	S251-T253 PolarHBondContact O-N 2.99Å; T253-E255 VanDerWaalsContact C-N 3.28Å; T253-E255 PolarHBondContact O-N 3.26Å; T253-G256 PolarHBondContact O-N 3.18Å; T253-G256 PolarHBondContact OG1-N 3.2Å; T253-L257 WeakPolarHBondContact O-CG 3.33Å; T253-L257 PolarHBondContact O-N 2.88Å
254	M	98.6	Very high	98.4	Very high	63 Å²	63	69.1 Å²	69.1	31%	0.31	38%	0.375	S	S	.	.	H	α-helix	trans	-59.2	-41.5	175.8	-167.2	64.2	-170.2	0	0	111.7	E197 D200 L204 G256 L257 A258	E197-M254 HydrophobicContact CB-CE 4.47Å; E197-M254 HydrophobicContact CG-CE 3.89Å; D200-M254 HydrophobicContact CB-CE 3.54Å; D200-M254 HydrophobicContact CB-SD 3.86Å; L204-M254 HydrophobicContact CD2-CB 4.18Å; M254-G256 PolarHBondContact O-N 3.27Å; M254-L257 PolarHBondContact O-N 3.04Å; M254-A258 WeakPolarHBondContact O-CB 3.32Å; M254-A258 PolarHBondContact O-N 2.86Å
255	E	98.4	Very high	98.3	Very high	128 Å²	128	67.8 Å²	67.8	60%	0.598	37%	0.367	S	S	*	.	H	α-helix	trans	-62	-42.4	175.8	-168.5	-165.8	154.1	0	0	112.1	T253 A258 K259	T253-E255 VanDerWaalsContact C-N 3.28Å; T253-E255 PolarHBondContact O-N 3.26Å; E255-A258 PolarHBondContact O-N 3.05Å; E255-K259 WeakPolarHBondContact O-CG 3.5Å; E255-K259 PolarHBondContact O-N 2.88Å; E255-K259 WeakPolarHBondContact OE1-CE 3.44Å; E255-K259 IonicContact OE1-NZ 2.64Å; E255-K259 PolarHBondContact OE1-NZ 2.94Å
256	G	98.6	Very high	98.1	Very high	34 Å²	34	76.6 Å²	76.6	35%	0.351	41%	0.405	S	S	.	.	H	α-helix	trans	-64	-41.6	176.8	0	0	0	0	0	112.5	T253 M254	T253-G256 PolarHBondContact O-N 3.18Å; T253-G256 PolarHBondContact OG1-N 3.2Å; M254-G256 PolarHBondContact O-N 3.27Å
257	L	98.7	Very high	98	Very high	7 Å²	7	80.7 Å²	80.7	4%	0.037	43%	0.429	C	S	.	.	H	α-helix	trans	-65.8	-45.3	175.7	-69.3	174	0	0	0	111.7	R196 D200 A203 L204 T252 T253 M254 K259 L260	R196-L257 PolarHBondContact NH2-O 3.05Å; D200-L257 HydrophobicContact CB-CB 3.99Å; D200-L257 HydrophobicContact CB-CD1 4.17Å; D200-L257 VanDerWaalsContact O-CD1 3.27Å; D200-L257 WeakPolarHBondContact O-CD1 3.39Å; A203-L257 HydrophobicContact CB-CD1 4.15Å; L204-L257 HydrophobicContact CB-CD1 3.96Å; T252-L257 HydrophobicContact CG2-CD1 3.81Å; T252-L257 HydrophobicContact CG2-CD2 3.82Å; T252-L257 HydrophobicContact CG2-CG 3.72Å; T253-L257 WeakPolarHBondContact O-CG 3.33Å; T253-L257 PolarHBondContact O-N 2.88Å; M254-L257 PolarHBondContact O-N 3.04Å; L257-K259 PolarHBondContact O-N 3.05Å; L257-L260 HydrophobicContact CD2-CD1 4.19Å; L257-L260 WeakPolarHBondContact O-CB 3.48Å; L257-L260 PolarHBondContact O-N 3.21Å
258	A	98.4	Very high	98	Very high	59 Å²	59	81.1 Å²	81.1	49%	0.488	43%	0.434	S	S	.	.	H	α-helix	trans	-60.8	-31	-179.4	0	0	0	0	0	113	R196 D200 M254 E255 L260	R196-A258 PolarHBondContact NH2-O 3.46Å; D200-A258 PolarHBondContact OD2-N 2.86Å; M254-A258 WeakPolarHBondContact O-CB 3.32Å; M254-A258 PolarHBondContact O-N 2.86Å; E255-A258 PolarHBondContact O-N 3.05Å; A258-L260 VanDerWaalsContact C-N 3.29Å; A258-L260 PolarHBondContact O-N 3.48Å
259	K	98.4	Very high	98	Very high	149 Å²	149	81.5 Å²	81.5	65%	0.648	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-14.6	176.9	-75.3	170.8	173.7	171.8	0	114.3	E255 L257	E255-K259 WeakPolarHBondContact O-CG 3.5Å; E255-K259 PolarHBondContact O-N 2.88Å; E255-K259 WeakPolarHBondContact OE1-CE 3.44Å; E255-K259 IonicContact OE1-NZ 2.64Å; E255-K259 PolarHBondContact OE1-NZ 2.94Å; L257-K259 PolarHBondContact O-N 3.05Å
260	L	98.5	Very high	98	Very high	67 Å²	67	77.2 Å²	77.2	35%	0.351	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-70.4	135.2	-178.7	-62.6	177.1	0	0	0	111.3	R196 L257 A258 T271 G273	R196-L260 PolarHBondContact NH1-O 3.11Å; R196-L260 PolarHBondContact NH2-O 2.87Å; L257-L260 HydrophobicContact CD2-CD1 4.19Å; L257-L260 WeakPolarHBondContact O-CB 3.48Å; L257-L260 PolarHBondContact O-N 3.21Å; A258-L260 VanDerWaalsContact C-N 3.29Å; A258-L260 PolarHBondContact O-N 3.48Å; L260-T271 HydrophobicContact CB-CG2 4.12Å; L260-G273 VanDerWaalsContact CD1-CA 3.45Å
261	K	98.2	Very high	98.1	Very high	179 Å²	179	72.3 Å²	72.3	78%	0.778	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-71	147.4	174.2	-63.8	-178.9	-179.2	178.8	0	110.5
262	P	98.6	Very high	98.1	Very high	47 Å²	47	71.4 Å²	71.4	31%	0.305	39%	0.388	S	S	.	.	B	Isolated β-bridge	trans	-55.5	141.3	170.5	-26.6	38	0	0	0	111.9	K265 G268 T270	P262-K265 WeakPolarHBondContact CB-O 3.38Å; P262-G268 WeakPolarHBondContact CG-O 3.49Å; P262-T270 CarbonylContact C-O 3.59Å; P262-T270 WeakPolarHBondContact CA-O 3.24Å
263	A	97.9	Very high	98.1	Very high	53 Å²	53	70.8 Å²	70.8	44%	0.438	39%	0.387	S	S	.	.	S	Bend	trans	-94.7	-22.9	-172.5	0	0	0	0	0	113.9	T270	A263-T270 PolarHBondContact N-O 3.44Å
264	F	97.1	Very high	98.1	Very high	90 Å²	90	67.3 Å²	67.3	40%	0.395	37%	0.366	S	S	.	.	S	Bend	trans	-127.2	-33.8	-169	-55.9	-75.2	0	0	0	114.5	G182 I183 T270 F348	G182-F264 VanDerWaalsContact CA-CD2 3.46Å; I183-F264 HydrophobicContact CD1-CB 3.86Å; I183-F264 HydrophobicContact CG1-CB 4.48Å; F264-T270 HydrophobicContact CD2-CG2 3.71Å; F264-T270 HydrophobicContact CE2-CG2 3.62Å; F264-F348 AromaticContact CE2-CE1 3.84Å; F264-F348 HydrophobicContact CE2-CE1 3.84Å; F264-F348 HydrophobicContact CZ-CE1 4.06Å
265	K	96.8	Very high	98.1	Very high	86 Å²	86	64.7 Å²	64.7	37%	0.374	35%	0.354	S	S	.	.	S	Bend	trans	-131.3	139.6	179.5	-174.1	178.5	178.1	-176.1	0	109.1	I183 E186 E190 P262 D267 G268	I183-K265 HydrophobicContact CD1-CB 4.41Å; E186-K265 HydrophobicContact CG-CB 4.25Å; E190-K265 IonicContact OE1-NZ 2.7Å; E190-K265 PolarHBondContact OE1-NZ 3.5Å; E190-K265 IonicContact OE2-NZ 2.76Å; E190-K265 PolarHBondContact OE2-NZ 2.98Å; P262-K265 WeakPolarHBondContact CB-O 3.38Å; K265-D267 VanDerWaalsContact C-N 3.31Å; K265-D267 PolarHBondContact O-N 3.46Å; K265-G268 WeakPolarHBondContact O-CA 3.48Å; K265-G268 PolarHBondContact O-N 3.22Å
266	K	96.1	Very high	98.1	Very high	189 Å²	189	59.8 Å²	59.8	82%	0.822	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-45.7	-173.6	-174.5	-177.6	176.7	-174.1	0	113.1
267	D	96.1	Very high	98.1	Very high	140 Å²	140	59.1 Å²	59.1	75%	0.749	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.4	25.9	178.5	-51.8	-50.4	0	0	0	111.6	K265	K265-D267 VanDerWaalsContact C-N 3.31Å; K265-D267 PolarHBondContact O-N 3.46Å
268	G	97.9	Very high	98.1	Very high	10 Å²	10	61.5 Å²	61.5	10%	0.103	34%	0.336	C	S	.	.			trans	-74.4	168.3	-178.1	0	0	0	0	0	113.6	E186 P262 K265	E186-G268 WeakPolarHBondContact OE1-CA 3.48Å; P262-G268 WeakPolarHBondContact CG-O 3.49Å; K265-G268 WeakPolarHBondContact O-CA 3.48Å; K265-G268 PolarHBondContact O-N 3.22Å
269	S	98.7	Very high	98.1	Very high	19 Å²	19	58.8 Å²	58.8	13%	0.133	31%	0.313	C	S	.	.	S	Bend	trans	-109.8	-18.8	178.3	62.5	0	0	0	0	112.6	E186 R196 Q199 N274	E186-S269 VanDerWaalsContact CD-N 3.3Å; E186-S269 PolarHBondContact OE1-N 3.49Å; E186-S269 PolarHBondContact OE2-N 3.47Å; E186-S269 PolarHBondContact OE2-OG 3.37Å; R196-S269 WeakPolarHBondContact CD-O 3.43Å; Q199-S269 VanDerWaalsContact NE2-CB 3.3Å; Q199-S269 PolarHBondContact NE2-OG 3.07Å; S269-N274 PolarHBondContact O-ND2 3.18Å
270	T	98.8	Very high	98.1	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.283	C	S	.	.			trans	-80.6	123.1	178.2	-52.5	0	0	0	0	110.2	S185 E186 P262 A263 F264 N274 S275 F348	S185-T270 WeakPolarHBondContact CB-OG1 3.45Å; S185-T270 PolarHBondContact OG-OG1 2.93Å; E186-T270 VanDerWaalsContact CD-OG1 3.32Å; E186-T270 VanDerWaalsContact OE1-CB 3.25Å; E186-T270 WeakPolarHBondContact OE1-CB 3.38Å; E186-T270 PolarHBondContact OE1-N 3.08Å; E186-T270 PolarHBondContact OE1-OG1 3.26Å; E186-T270 PolarHBondContact OE2-N 3.3Å; P262-T270 CarbonylContact C-O 3.59Å; P262-T270 WeakPolarHBondContact CA-O 3.24Å; A263-T270 PolarHBondContact N-O 3.44Å; F264-T270 HydrophobicContact CD2-CG2 3.71Å; F264-T270 HydrophobicContact CE2-CG2 3.62Å; T270-N274 WeakPolarHBondContact CA-OD1 3.46Å; T270-S275 VanDerWaalsContact CG2-OG 3.28Å; T270-S275 WeakPolarHBondContact CG2-OG 3.24Å; T270-F348 HydrophobicContact CG2-CD1 3.54Å; T270-F348 HydrophobicContact CG2-CE1 4.11Å; T270-F348 HydrophobicContact CG2-CG 4.41Å
271	T	98.8	Very high	98.1	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-125.3	167.9	179.8	73.9	0	0	0	0	110.8	R196 L260 G273 N274 S275	R196-T271 VanDerWaalsContact CZ-CG2 3.42Å; L260-T271 HydrophobicContact CB-CG2 4.12Å; T271-G273 PolarHBondContact O-N 2.77Å; T271-G273 VanDerWaalsContact O-N 3.15Å; T271-G273 PolarHBondContact OG1-N 2.89Å; T271-N274 PolarHBondContact N-OD1 2.86Å; T271-N274 PolarHBondContact O-N 3.08Å; T271-N274 PolarHBondContact O-OD1 3.26Å; T271-N274 VanDerWaalsContact O-OD1 3.11Å; T271-N274 PolarHBondContact OG1-N 2.92Å; T271-N274 PolarHBondContact OG1-ND2 3.13Å; T271-S275 VanDerWaalsContact O-CB 3.29Å; T271-S275 WeakPolarHBondContact O-CB 3.45Å; T271-S275 PolarHBondContact O-N 3.44Å; T271-S275 VanDerWaalsContact O-N 3.13Å; T271-S275 PolarHBondContact O-OG 3.4Å
272	A	98.2	Very high	98.2	Very high	78 Å²	78	40 Å²	40	65%	0.645	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-21.2	172.8	0	0	0	0	0	113.8
273	G	98.5	Very high	98.2	Very high	16 Å²	16	37.7 Å²	37.7	17%	0.165	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-25	-179.3	0	0	0	0	0	113.9	A203 L260 T271 V373	A203-G273 WeakPolarHBondContact CB-O 3.17Å; L260-G273 VanDerWaalsContact CD1-CA 3.45Å; T271-G273 PolarHBondContact O-N 2.77Å; T271-G273 VanDerWaalsContact O-N 3.15Å; T271-G273 PolarHBondContact OG1-N 2.89Å; G273-V373 WeakPolarHBondContact O-CG1 3.27Å
274	N	98.7	Very high	98.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	-109.6	17.4	176.7	68.4	28.5	0	0	0	112.7	Q199 D200 A203 S269 T270 T271 F348 A349	Q199-N274 HydrophobicContact CB-CB 4.24Å; D200-N274 PolarHBondContact OD1-ND2 3.08Å; A203-N274 HydrophobicContact CB-CB 4.01Å; S269-N274 PolarHBondContact O-ND2 3.18Å; T270-N274 WeakPolarHBondContact CA-OD1 3.46Å; T271-N274 PolarHBondContact N-OD1 2.86Å; T271-N274 PolarHBondContact O-N 3.08Å; T271-N274 PolarHBondContact O-OD1 3.26Å; T271-N274 VanDerWaalsContact O-OD1 3.11Å; T271-N274 PolarHBondContact OG1-N 2.92Å; T271-N274 PolarHBondContact OG1-ND2 3.13Å; N274-F348 CarbonylContact O-C 3.48Å; N274-A349 HydrophobicContact CB-CB 3.91Å; N274-A349 WeakPolarHBondContact O-CB 3.43Å; N274-A349 PolarHBondContact O-N 3.21Å
275	S	98.7	Very high	98.3	Very high	8 Å²	8	30.9 Å²	30.9	6%	0.056	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-113.5	156	171.9	-56.9	0	0	0	0	110.3	T270 T271 F348	T270-S275 VanDerWaalsContact CG2-OG 3.28Å; T270-S275 WeakPolarHBondContact CG2-OG 3.24Å; T271-S275 VanDerWaalsContact O-CB 3.29Å; T271-S275 WeakPolarHBondContact O-CB 3.45Å; T271-S275 PolarHBondContact O-N 3.44Å; T271-S275 VanDerWaalsContact O-N 3.13Å; T271-S275 PolarHBondContact O-OG 3.4Å; S275-F348 WeakPolarHBondContact OG-CD1 3.33Å
276	S	98.4	Very high	98.4	Very high	25 Å²	25	26.8 Å²	26.8	18%	0.175	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-59.8	148.3	166.6	58	0	0	0	0	111.7	E346 A347 A372	S276-E346 WeakPolarHBondContact CB-O 3.39Å; S276-A347 WeakPolarHBondContact CB-O 3.42Å; S276-A347 PolarHBondContact N-O 3.09Å; S276-A347 PolarHBondContact OG-O 3.47Å; S276-A372 WeakPolarHBondContact CA-O 3.49Å
277	Q	98.5	Very high	98.5	Very high	19 Å²	19	17.8 Å²	17.8	9%	0.089	12%	0.118	C	C	.	.	P	Polyproline II helix	trans	-81.9	135.3	177.1	-55.1	177.7	48.3	0	0	109.6	R50 G247 S279 V373 A374 H377	R50-Q277 VanDerWaalsContact CZ-OE1 3.32Å; G247-Q277 VanDerWaalsContact CA-OE1 3.28Å; G247-Q277 PolarHBondContact O-NE2 3.37Å; Q277-S279 PolarHBondContact O-N 3.23Å; Q277-S279 PolarHBondContact O-OG 2.9Å; Q277-V373 PolarHBondContact NE2-O 3.07Å; Q277-A374 PolarHBondContact NE2-O 2.98Å; Q277-A374 VanDerWaalsContact NE2-O 3.17Å; Q277-H377 PolarHBondContact O-N 3.32Å
278	V	98	Very high	98.7	Very high	58 Å²	58	11.1 Å²	11.1	35%	0.352	8%	0.082	S	C	.	.	P	Polyproline II helix	trans	-63.3	125.3	167	-174.8	0	0	0	0	107.5	A51 M153	A51-V278 HydrophobicContact CB-CB 4.14Å; A51-V278 HydrophobicContact CB-CG1 3.54Å; A51-V278 WeakPolarHBondContact CB-O 3.39Å; A51-V278 PolarHBondContact N-O 2.85Å; M153-V278 HydrophobicContact CB-CG1 3.58Å; M153-V278 HydrophobicContact CE-CG1 3.7Å; M153-V278 HydrophobicContact CG-CG1 4.22Å; M153-V278 HydrophobicContact SD-CB 4.39Å; M153-V278 HydrophobicContact SD-CG1 3.61Å
279	S	98.7	Very high	98.7	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.007	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	159.4	-162.4	-75.8	0	0	0	0	113.6	I48 C49 M153 Q277 G376 P378	I48-S279 VanDerWaalsContact CG2-CB 3.47Å; C49-S279 CarbonylContact O-C 3.59Å; C49-S279 WeakPolarHBondContact O-CA 3.43Å; C49-S279 WeakPolarHBondContact O-CB 3.2Å; C49-S279 PolarHBondContact O-OG 3.43Å; M153-S279 VanDerWaalsContact CG-O 3.24Å; M153-S279 WeakPolarHBondContact CG-O 3.43Å; Q277-S279 PolarHBondContact O-N 3.23Å; Q277-S279 PolarHBondContact O-OG 2.9Å; S279-G376 WeakPolarHBondContact OG-CA 3.37Å; S279-P378 WeakPolarHBondContact O-CA 3.49Å; S279-P378 WeakPolarHBondContact O-CB 3.28Å
280	D	98.8	Very high	98.7	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	144	173.7	-49.6	-46.6	0	0	0	109.8	C49 F56 L64 E151 S152 M153 S154	C49-D280 PolarHBondContact N-O 2.75Å; C49-D280 VanDerWaalsContact N-O 3.1Å; C49-D280 PolarHBondContact O-N 3.44Å; F56-D280 HydrophobicContact CB-CB 3.9Å; F56-D280 HydrophobicContact CD2-CB 4.39Å; L64-D280 HydrophobicContact CD1-CB 4.35Å; E151-D280 WeakPolarHBondContact O-CA 3.41Å; S152-D280 VanDerWaalsContact C-OD1 3.31Å; S152-D280 WeakPolarHBondContact CA-OD1 3.45Å; M153-D280 PolarHBondContact N-OD1 2.81Å; S154-D280 WeakPolarHBondContact CB-OD2 3.43Å; S154-D280 PolarHBondContact N-OD1 2.94Å; S154-D280 VanDerWaalsContact OG-CG 3.32Å; S154-D280 PolarHBondContact OG-OD1 2.87Å; S154-D280 PolarHBondContact OG-OD2 2.74Å
281	G	98.9	Very high	98.7	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.5	167.8	174.3	0	0	0	0	0	113.9	T46 V150 E151 C381	T46-G281 VanDerWaalsContact OG1-CA 3.32Å; T46-G281 WeakPolarHBondContact OG1-CA 3.29Å; V150-G281 WeakPolarHBondContact CA-O 3.22Å; E151-G281 PolarHBondContact N-O 2.64Å; E151-G281 PolarHBondContact O-N 3.07Å; G281-C381 VanDerWaalsContact O-CB 3.29Å; G281-C381 WeakPolarHBondContact O-CB 3.46Å
282	A	99	Very high	98.7	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	159.5	177.3	0	0	0	0	0	112.2	R45 T46 L64 V68 G149 V150	R45-A282 CarbonylContact C-O 3.41Å; R45-A282 VanDerWaalsContact CA-O 3.3Å; R45-A282 WeakPolarHBondContact CA-O 3.28Å; T46-A282 HydrophobicContact CG2-CB 4.1Å; T46-A282 PolarHBondContact N-O 3.16Å; T46-A282 PolarHBondContact OG1-N 3.11Å; T46-A282 PolarHBondContact OG1-O 2.82Å; L64-A282 HydrophobicContact CB-CB 4Å; L64-A282 WeakPolarHBondContact O-CB 3.47Å; V68-A282 HydrophobicContact CG1-CB 4.37Å; V68-A282 HydrophobicContact CG2-CB 3.87Å; G149-A282 CarbonylContact O-C 3.58Å; G149-A282 VanDerWaalsContact O-CA 3.26Å; G149-A282 WeakPolarHBondContact O-CA 3.29Å; V150-A282 HydrophobicContact CB-CB 3.95Å; V150-A282 HydrophobicContact CG2-CB 3.78Å
283	A	99	Very high	98.7	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	144.6	173.4	0	0	0	0	0	110.1	R44 R45 C148 G149 A384 R385 I388	R44-A283 CarbonylContact O-C 3.59Å; R44-A283 WeakPolarHBondContact O-CA 3.44Å; R45-A283 HydrophobicContact CB-CB 3.95Å; C148-A283 CarbonylContact C-O 3.58Å; C148-A283 WeakPolarHBondContact CA-O 3.26Å; C148-A283 WeakPolarHBondContact CB-O 3.33Å; G149-A283 PolarHBondContact N-O 2.89Å; G149-A283 PolarHBondContact O-N 2.79Å; A283-A384 HydrophobicContact CB-CB 3.8Å; A283-R385 HydrophobicContact CB-CB 4.31Å; A283-I388 HydrophobicContact CB-CD1 3.88Å
284	A	99	Very high	98.7	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	139.8	176.1	0	0	0	0	0	110.3	G43 R44 V68 V72 M146 A147	G43-A284 CarbonylContact C-O 3.6Å; G43-A284 WeakPolarHBondContact CA-O 3.44Å; R44-A284 PolarHBondContact N-O 3.33Å; R44-A284 PolarHBondContact O-N 2.55Å; V68-A284 HydrophobicContact CB-CB 3.88Å; V68-A284 HydrophobicContact CG2-CB 3.75Å; V72-A284 HydrophobicContact CG2-CB 3.95Å; M146-A284 HydrophobicContact CG-CB 4.42Å; M146-A284 HydrophobicContact SD-CB 4.09Å; A147-A284 CarbonylContact O-C 3.55Å
285	I	99	Very high	98.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	126.1	-178.8	-59.7	163.1	0	0	0	107.7	V40 V130 M146 A147 L287 A384 V387 I388	V40-I285 HydrophobicContact CG1-CG2 3.59Å; V40-I285 HydrophobicContact CG2-CG2 4.33Å; V130-I285 HydrophobicContact CG2-CD1 3.52Å; M146-I285 WeakPolarHBondContact CA-O 3.4Å; A147-I285 PolarHBondContact N-O 2.86Å; A147-I285 PolarHBondContact O-N 2.94Å; I285-L287 HydrophobicContact CB-CD1 4.32Å; I285-L287 HydrophobicContact CG2-CD1 3.87Å; I285-L287 HydrophobicContact CG2-CG 4.14Å; I285-A384 HydrophobicContact CD1-CB 3.87Å; I285-A384 WeakPolarHBondContact CD1-O 3.32Å; I285-V387 HydrophobicContact CD1-CB 3.65Å; I285-V387 HydrophobicContact CD1-CG1 3.81Å; I285-V387 HydrophobicContact CD1-CG2 4.18Å; I285-I388 HydrophobicContact CD1-CG1 4.29Å; I285-I388 HydrophobicContact CG1-CD1 4.03Å; I285-I388 HydrophobicContact CG1-CG1 3.79Å
286	L	98.9	Very high	98.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	125.4	172.4	-169.2	69.2	0	0	0	109.4	V41 H42 V72 V76 L78 L83 I144 M146	V41-L286 HydrophobicContact CB-CB 4.32Å; V41-L286 HydrophobicContact CB-CD2 4.13Å; V41-L286 HydrophobicContact CB-CG 4.32Å; V41-L286 HydrophobicContact CG1-CD2 4.01Å; V41-L286 PolarHBondContact N-O 2.89Å; H42-L286 PolarHBondContact O-N 3.36Å; V72-L286 HydrophobicContact CG1-CB 3.61Å; V72-L286 HydrophobicContact CG1-CD2 4.5Å; V76-L286 HydrophobicContact CG2-CD2 3.67Å; L78-L286 HydrophobicContact CD2-CD1 4.13Å; L78-L286 HydrophobicContact CD2-CD2 4.03Å; L83-L286 HydrophobicContact CD2-CD1 3.54Å; I144-L286 HydrophobicContact CG2-CD1 3.8Å; I144-L286 HydrophobicContact CG2-CG 4.32Å; M146-L286 HydrophobicContact CE-CD1 4.46Å
287	L	98.9	Very high	98.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	148.6	175.6	-61.5	103	0	0	0	110.4	V38 V39 V40 V130 I133 I137 I144 G145 A147 I285	V38-L287 HydrophobicContact CG1-CB 4.3Å; V38-L287 HydrophobicContact CG1-CD2 3.82Å; V39-L287 VanDerWaalsContact O-CA 3.25Å; V39-L287 WeakPolarHBondContact O-CA 3.45Å; V40-L287 HydrophobicContact CG2-CD2 4.1Å; V40-L287 HydrophobicContact CG2-CG 4.47Å; V130-L287 HydrophobicContact CG1-CD2 3.95Å; I133-L287 HydrophobicContact CB-CD1 4.29Å; I133-L287 HydrophobicContact CG2-CB 3.93Å; I133-L287 HydrophobicContact CG2-CD1 3.91Å; I133-L287 HydrophobicContact CG2-CG 4.46Å; I137-L287 HydrophobicContact CD1-CB 4.01Å; I144-L287 WeakPolarHBondContact CA-O 3.19Å; I144-L287 WeakPolarHBondContact CG2-O 3.33Å; G145-L287 PolarHBondContact N-O 2.83Å; G145-L287 PolarHBondContact O-N 3.4Å; A147-L287 HydrophobicContact CB-CD1 3.6Å; I285-L287 HydrophobicContact CB-CD1 4.32Å; I285-L287 HydrophobicContact CG2-CD1 3.87Å; I285-L287 HydrophobicContact CG2-CG 4.14Å
288	A	98.9	Very high	98.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	160.5	175.8	0	0	0	0	0	111.3	V39 V41 D143 I144 A293	V39-A288 HydrophobicContact CG2-CB 4.25Å; V39-A288 WeakPolarHBondContact CG2-O 3.36Å; V39-A288 PolarHBondContact N-O 2.97Å; V39-A288 PolarHBondContact O-N 3.1Å; V41-A288 HydrophobicContact CG2-CB 3.92Å; D143-A288 CarbonylContact O-C 3.53Å; D143-A288 WeakPolarHBondContact O-CA 3.36Å; I144-A288 HydrophobicContact CG1-CB 4.11Å; A288-A293 HydrophobicContact CB-CB 4.15Å
289	R	98.8	Very high	98.6	Very high	64 Å²	64	30.2 Å²	30.2	24%	0.242	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	135.1	157.5	-172.6	173.9	-68	156.3	-2	108.3	A35 D37 I137 D143 S291 K292 A293	A35-R289 WeakPolarHBondContact O-CG 3.31Å; D37-R289 CarbonylContact O-C 3.46Å; I137-R289 HydrophobicContact CG2-CB 3.83Å; I137-R289 PolarHBondContact O-NH2 3.26Å; D143-R289 PolarHBondContact O-N 2.83Å; D143-R289 IonicContact OD1-CZ 2.73Å; D143-R289 IonicContact OD1-NE 3.29Å; D143-R289 IonicContact OD1-NH1 3.58Å; D143-R289 PolarHBondContact OD1-NH1 2.91Å; D143-R289 IonicContact OD1-NH2 3.77Å; R289-S291 VanDerWaalsContact C-N 3.29Å; R289-S291 WeakPolarHBondContact CD-OG 3.46Å; R289-S291 PolarHBondContact O-N 2.94Å; R289-K292 HydrophobicContact CB-CB 4.34Å; R289-K292 WeakPolarHBondContact O-CA 3.32Å; R289-K292 WeakPolarHBondContact O-CB 3.45Å; R289-K292 PolarHBondContact O-N 2.79Å; R289-A293 PolarHBondContact O-N 3.03Å
290	R	98.7	Very high	98.6	Very high	25 Å²	25	32.3 Å²	32.3	9%	0.094	18%	0.179	C	C	.	.	H	α-helix	trans	-49.6	-50.1	-178.6	176.2	-175.9	-64.2	-91.5	0.6	111.8	S34 D37 V39 K292 A293 E294 I300	S34-R290 WeakPolarHBondContact O-CD 3.06Å; S34-R290 PolarHBondContact O-NE 3.44Å; D37-R290 HydrophobicContact CB-CB 4.09Å; D37-R290 PolarHBondContact O-N 2.66Å; D37-R290 IonicContact OD2-CZ 3.72Å; D37-R290 IonicContact OD2-NE 3.51Å; D37-R290 PolarHBondContact OD2-NE 3.17Å; D37-R290 IonicContact OD2-NH2 2.62Å; D37-R290 PolarHBondContact OD2-NH2 2.92Å; V39-R290 HydrophobicContact CG1-CB 3.85Å; V39-R290 HydrophobicContact CG1-CG 4.31Å; R290-K292 PolarHBondContact O-N 3.26Å; R290-A293 WeakPolarHBondContact O-CB 3.32Å; R290-A293 PolarHBondContact O-N 3.07Å; R290-A293 VanDerWaalsContact O-N 3.11Å; R290-E294 VanDerWaalsContact CD-OE1 3.28Å; R290-E294 WeakPolarHBondContact CD-OE1 3.25Å; R290-E294 HydrophobicContact CG-CG 4.31Å; R290-E294 WeakPolarHBondContact CG-OE1 3.49Å; R290-E294 WeakPolarHBondContact O-CG 3.43Å; R290-E294 PolarHBondContact O-N 3.24Å; R290-I300 HydrophobicContact CG-CD1 4.31Å
291	S	98.5	Very high	98.6	Very high	48 Å²	48	32.9 Å²	32.9	34%	0.336	18%	0.182	S	C	.	.	H	α-helix	trans	-57.3	-35.7	179.6	59.4	0	0	0	0	113.1	A35 R289 E295	A35-S291 PolarHBondContact O-N 2.76Å; A35-S291 PolarHBondContact O-OG 3Å; R289-S291 VanDerWaalsContact C-N 3.29Å; R289-S291 WeakPolarHBondContact CD-OG 3.46Å; R289-S291 PolarHBondContact O-N 2.94Å; S291-E295 WeakPolarHBondContact O-CB 3.35Å; S291-E295 PolarHBondContact O-N 3.07Å
292	K	98.7	Very high	98.6	Very high	40 Å²	40	32.9 Å²	32.9	17%	0.174	18%	0.182	C	C	.	.	H	α-helix	trans	-74.8	-37.9	178	-170.3	59.1	167.3	-178.2	0	112.3	D143 I144 R289 R290 E294 E295 L296	D143-K292 HydrophobicContact CB-CB 3.85Å; D143-K292 HydrophobicContact CB-CD 4.36Å; D143-K292 HydrophobicContact CB-CG 3.71Å; I144-K292 HydrophobicContact CD1-CG 3.9Å; I144-K292 HydrophobicContact CG1-CG 3.83Å; R289-K292 HydrophobicContact CB-CB 4.34Å; R289-K292 WeakPolarHBondContact O-CA 3.32Å; R289-K292 WeakPolarHBondContact O-CB 3.45Å; R289-K292 PolarHBondContact O-N 2.79Å; R290-K292 PolarHBondContact O-N 3.26Å; K292-E294 VanDerWaalsContact C-N 3.31Å; K292-E295 HydrophobicContact CD-CB 4.48Å; K292-E295 WeakPolarHBondContact CD-OE2 3.3Å; K292-E295 IonicContact NZ-OE1 3.05Å; K292-E295 PolarHBondContact NZ-OE1 3.08Å; K292-E295 IonicContact NZ-OE2 2.99Å; K292-E295 PolarHBondContact NZ-OE2 3.35Å; K292-E295 PolarHBondContact O-N 2.8Å; K292-L296 HydrophobicContact CD-CD1 4.37Å; K292-L296 HydrophobicContact CD-CG 4.33Å; K292-L296 HydrophobicContact CG-CD1 4.29Å; K292-L296 WeakPolarHBondContact O-CB 3.33Å; K292-L296 WeakPolarHBondContact O-CG 3.26Å; K292-L296 PolarHBondContact O-N 3.39Å; K292-L296 VanDerWaalsContact O-N 3.08Å
293	A	98.6	Very high	98.6	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.3	-45	172.8	0	0	0	0	0	110.8	V39 V41 A288 R289 R290 L296 G297 L298	V39-A293 HydrophobicContact CG2-CB 3.8Å; V41-A293 HydrophobicContact CG2-CB 4.32Å; A288-A293 HydrophobicContact CB-CB 4.15Å; R289-A293 PolarHBondContact O-N 3.03Å; R290-A293 WeakPolarHBondContact O-CB 3.32Å; R290-A293 PolarHBondContact O-N 3.07Å; R290-A293 VanDerWaalsContact O-N 3.11Å; A293-L296 PolarHBondContact O-N 3.04Å; A293-G297 PolarHBondContact O-N 2.8Å; A293-G297 VanDerWaalsContact O-N 3.08Å; A293-L298 HydrophobicContact CB-CB 4.19Å; A293-L298 PolarHBondContact O-N 2.82Å
294	E	98.1	Very high	98.6	Very high	110 Å²	110	33.2 Å²	33.2	51%	0.514	18%	0.184	S	C	.	.	H	α-helix	trans	-64.2	-44.8	176.9	-70.1	166.8	177.2	0	0	112.1	R290 K292 L296 G297	R290-E294 VanDerWaalsContact CD-OE1 3.28Å; R290-E294 WeakPolarHBondContact CD-OE1 3.25Å; R290-E294 HydrophobicContact CG-CG 4.31Å; R290-E294 WeakPolarHBondContact CG-OE1 3.49Å; R290-E294 WeakPolarHBondContact O-CG 3.43Å; R290-E294 PolarHBondContact O-N 3.24Å; K292-E294 VanDerWaalsContact C-N 3.31Å; E294-L296 VanDerWaalsContact C-N 3.28Å; E294-L296 PolarHBondContact O-N 2.66Å; E294-G297 PolarHBondContact O-N 3.23Å; E294-G297 VanDerWaalsContact O-N 3.16Å
295	E	98.4	Very high	98.6	Very high	132 Å²	132	35.4 Å²	35.4	62%	0.617	19%	0.192	S	C	*	.	H	α-helix	trans	-56.4	-40.7	175.7	-174.1	-158.3	134.2	0	0	112.3	S291 K292	S291-E295 WeakPolarHBondContact O-CB 3.35Å; S291-E295 PolarHBondContact O-N 3.07Å; K292-E295 HydrophobicContact CD-CB 4.48Å; K292-E295 WeakPolarHBondContact CD-OE2 3.3Å; K292-E295 IonicContact NZ-OE1 3.05Å; K292-E295 PolarHBondContact NZ-OE1 3.08Å; K292-E295 IonicContact NZ-OE2 2.99Å; K292-E295 PolarHBondContact NZ-OE2 3.35Å; K292-E295 PolarHBondContact O-N 2.8Å
296	L	98.4	Very high	98.5	Very high	57 Å²	57	35.7 Å²	35.7	30%	0.298	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-0.5	-178.6	-64.7	-178.2	0	0	0	113.9	L78 I144 K292 A293 E294 L298	L78-L296 HydrophobicContact CD1-CD1 3.97Å; I144-L296 HydrophobicContact CD1-CD1 3.51Å; K292-L296 HydrophobicContact CD-CD1 4.37Å; K292-L296 HydrophobicContact CD-CG 4.33Å; K292-L296 HydrophobicContact CG-CD1 4.29Å; K292-L296 WeakPolarHBondContact O-CB 3.33Å; K292-L296 WeakPolarHBondContact O-CG 3.26Å; K292-L296 PolarHBondContact O-N 3.39Å; K292-L296 VanDerWaalsContact O-N 3.08Å; A293-L296 PolarHBondContact O-N 3.04Å; E294-L296 VanDerWaalsContact C-N 3.28Å; E294-L296 PolarHBondContact O-N 2.66Å; L296-L298 HydrophobicContact CB-CD1 4.04Å; L296-L298 HydrophobicContact CB-CG 3.87Å; L296-L298 HydrophobicContact CD1-CD1 4.05Å; L296-L298 PolarHBondContact O-N 3.12Å
297	G	98.2	Very high	98.5	Very high	68 Å²	68	37.8 Å²	37.8	70%	0.701	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.9	26.1	-175.7	0	0	0	0	0	113.9	A293 E294	A293-G297 PolarHBondContact O-N 2.8Å; A293-G297 VanDerWaalsContact O-N 3.08Å; E294-G297 PolarHBondContact O-N 3.23Å; E294-G297 VanDerWaalsContact O-N 3.16Å
298	L	98.4	Very high	98.5	Very high	18 Å²	18	38 Å²	38	9%	0.094	20%	0.204	C	C	.	.			trans	-77.8	142.8	179.1	-66.7	173.1	0	0	0	111	V41 V76 L78 A293 L296	V41-L298 HydrophobicContact CG1-CB 3.84Å; V41-L298 HydrophobicContact CG1-CD1 4.39Å; V41-L298 HydrophobicContact CG1-CD2 4.33Å; V41-L298 HydrophobicContact CG1-CG 4.42Å; V41-L298 HydrophobicContact CG2-CB 4.31Å; V41-L298 HydrophobicContact CG2-CD1 4.34Å; V76-L298 HydrophobicContact CB-CD2 3.99Å; V76-L298 HydrophobicContact CG2-CD2 4.24Å; L78-L298 HydrophobicContact CD1-CD1 4.09Å; L78-L298 HydrophobicContact CD1-CD2 4.41Å; A293-L298 HydrophobicContact CB-CB 4.19Å; A293-L298 PolarHBondContact O-N 2.82Å; L296-L298 HydrophobicContact CB-CD1 4.04Å; L296-L298 HydrophobicContact CB-CG 3.87Å; L296-L298 HydrophobicContact CD1-CD1 4.05Å; L296-L298 PolarHBondContact O-N 3.12Å
299	P	97.8	Very high	98.5	Very high	72 Å²	72	40.5 Å²	40.5	47%	0.468	22%	0.219	S	C	.	.			trans	-66.5	156	177.3	29.3	-35.5	0	0	0	111.6	V41 V76	V41-P299 VanDerWaalsContact CA-O 3.27Å; V41-P299 WeakPolarHBondContact CA-O 3.24Å; V41-P299 HydrophobicContact CG1-CG 4.07Å; V41-P299 WeakPolarHBondContact CG1-O 3.17Å; V76-P299 HydrophobicContact CG1-CG 4.47Å
300	I	98.2	Very high	98.5	Very high	45 Å²	45	38.9 Å²	38.9	23%	0.231	22%	0.216	C	C	.	.			trans	-112.1	102.1	170.5	-65.4	169.2	0	0	0	108.2	V39 R290 V303 P422	V39-I300 HydrophobicContact CB-CG1 4.21Å; V39-I300 HydrophobicContact CB-CG2 4.09Å; V39-I300 HydrophobicContact CG1-CD1 4.16Å; V39-I300 HydrophobicContact CG1-CG1 4.28Å; V39-I300 HydrophobicContact CG1-CG2 4.08Å; V39-I300 HydrophobicContact CG2-CG1 4.21Å; R290-I300 HydrophobicContact CG-CD1 4.31Å; I300-V303 HydrophobicContact CG2-CG2 4.31Å; I300-P422 HydrophobicContact CG2-CG 4.41Å
301	L	98.6	Very high	98.5	Very high	12 Å²	12	40.8 Å²	40.8	6%	0.063	24%	0.244	C	C	.	.			trans	-78.7	-25.8	175.6	177	61.7	0	0	0	112	V40 V41 L391 K395 Y421	V40-L301 HydrophobicContact CG1-CB 4.5Å; V40-L301 HydrophobicContact CG1-CD2 4.45Å; V40-L301 WeakPolarHBondContact O-CA 3.26Å; V40-L301 WeakPolarHBondContact O-CB 3.39Å; V40-L301 PolarHBondContact O-N 2.83Å; V41-L301 WeakPolarHBondContact O-CB 3.44Å; L301-L391 HydrophobicContact CD1-CB 4.2Å; L301-L391 HydrophobicContact CD2-CB 4.04Å; L301-L391 HydrophobicContact CD2-CD1 4.29Å; L301-L391 HydrophobicContact CG-CB 3.83Å; L301-L391 HydrophobicContact CG-CD1 4.13Å; L301-K395 HydrophobicContact CD1-CB 4.18Å; L301-K395 HydrophobicContact CD1-CD 3.7Å; L301-Y421 WeakPolarHBondContact O-CD2 3.36Å
302	G	98.6	Very high	98.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.8	177.5	175	0	0	0	0	0	112.7	V39 V40 E420	V39-G302 CarbonylContact C-O 3.58Å; V39-G302 WeakPolarHBondContact CA-O 3.22Å; V40-G302 PolarHBondContact N-O 2.86Å; V40-G302 PolarHBondContact O-N 3.27Å; G302-E420 CarbonylContact C-O 3.52Å; G302-E420 WeakPolarHBondContact CA-O 3.47Å
303	V	98.7	Very high	98.5	Very high	1 Å²	1	40 Å²	40	1%	0.006	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	127.8	-179.3	-165.7	0	0	0	0	109.6	D37 V39 I300 R305 F419 E420	D37-V303 HydrophobicContact CB-CG1 3.91Å; V39-V303 HydrophobicContact CG1-CG1 4.41Å; V39-V303 HydrophobicContact CG1-CG2 4.29Å; I300-V303 HydrophobicContact CG2-CG2 4.31Å; V303-R305 VanDerWaalsContact CG1-CZ 3.42Å; V303-R305 PolarHBondContact O-N 2.72Å; V303-F419 CarbonylContact O-C 3.46Å; V303-F419 VanDerWaalsContact O-CA 3.26Å; V303-F419 WeakPolarHBondContact O-CA 3.27Å; V303-E420 HydrophobicContact CB-CB 4.37Å; V303-E420 PolarHBondContact N-O 3.2Å; V303-E420 PolarHBondContact O-N 3.22Å
304	L	98.8	Very high	98.5	Very high	5 Å²	5	40.7 Å²	40.7	3%	0.026	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	112.4	175.3	176.2	65.7	0	0	0	109.7	V38 A134 A417 F419	V38-L304 PolarHBondContact O-N 3.23Å; A134-L304 HydrophobicContact CB-CD2 3.49Å; A134-L304 VanDerWaalsContact CB-CD2 3.49Å; L304-A417 HydrophobicContact CD1-CB 4.17Å; L304-F419 HydrophobicContact CB-CD1 4.29Å; L304-F419 HydrophobicContact CB-CE1 4.04Å; L304-F419 HydrophobicContact CD1-CD1 4.21Å; L304-F419 HydrophobicContact CD1-CE1 3.7Å; L304-F419 HydrophobicContact CD1-CE2 4.33Å; L304-F419 HydrophobicContact CD1-CZ 3.76Å; L304-F419 HydrophobicContact CG-CE1 4.43Å
305	R	98.5	Very high	98.5	Very high	46 Å²	46	36.4 Å²	36.4	17%	0.174	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	-44.6	-176.9	-64.6	-56.6	-175.5	-165	0.2	112.8	Q32 D37 V303 A332 V418 E420	Q32-R305 PolarHBondContact O-NH1 2.9Å; Q32-R305 PolarHBondContact O-NH2 2.69Å; D37-R305 IonicContact OD1-NH1 2.7Å; D37-R305 PolarHBondContact OD1-NH1 3.05Å; D37-R305 VanDerWaalsContact OD1-NH1 3.1Å; D37-R305 IonicContact OD2-CZ 3.59Å; D37-R305 IonicContact OD2-NH1 3.44Å; D37-R305 PolarHBondContact OD2-NH1 2.93Å; D37-R305 IonicContact OD2-NH2 2.81Å; V303-R305 VanDerWaalsContact CG1-CZ 3.42Å; V303-R305 PolarHBondContact O-N 2.72Å; R305-A332 HydrophobicContact CB-CB 4.33Å; R305-V418 HydrophobicContact CB-CB 4.34Å; R305-V418 HydrophobicContact CB-CG1 4.14Å; R305-V418 PolarHBondContact N-O 3.37Å; R305-E420 HydrophobicContact CG-CB 4.05Å; R305-E420 IonicContact CZ-OE2 2.92Å; R305-E420 IonicContact NE-OE2 2.69Å; R305-E420 PolarHBondContact NE-OE2 2.8Å; R305-E420 IonicContact NH2-OE1 3.26Å; R305-E420 IonicContact NH2-OE2 3.74Å; R305-E420 PolarHBondContact NH2-OE2 2.95Å
306	S	98.7	Very high	98.5	Very high	6 Å²	6	30.7 Å²	30.7	4%	0.042	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	159	178.1	73.2	0	0	0	0	112.3	A328 A417 V418	S306-A328 WeakPolarHBondContact CB-O 3.26Å; S306-A328 PolarHBondContact OG-O 3.38Å; S306-A417 CarbonylContact O-C 3.56Å; S306-A417 VanDerWaalsContact O-CA 3.25Å; S306-A417 WeakPolarHBondContact O-CA 3.47Å; S306-V418 PolarHBondContact N-O 3.22Å; S306-V418 PolarHBondContact O-N 3.33Å; S306-V418 WeakPolarHBondContact OG-CB 3.34Å; S306-V418 VanDerWaalsContact OG-CG2 3.22Å; S306-V418 WeakPolarHBondContact OG-CG2 3.14Å
307	Y	98.9	Very high	98.5	Very high	45 Å²	45	28 Å²	28	18%	0.176	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	136.7	170.6	179.9	-119.8	0	0	0	108.7	L127 Q128 A131 V309 A415 A416 A417	L127-Y307 HydrophobicContact CD2-CD2 4.4Å; L127-Y307 HydrophobicContact CD2-CE2 3.83Å; L127-Y307 HydrophobicContact CG-CD2 4.43Å; L127-Y307 HydrophobicContact CG-CE2 3.85Å; Q128-Y307 PolarHBondContact OE1-OH 3Å; A131-Y307 HydrophobicContact CB-CD1 3.3Å; A131-Y307 HydrophobicContact CB-CD2 4.29Å; A131-Y307 HydrophobicContact CB-CE1 3.34Å; A131-Y307 HydrophobicContact CB-CE2 4.32Å; A131-Y307 HydrophobicContact CB-CG 3.79Å; Y307-V309 HydrophobicContact CD1-CG2 4.31Å; Y307-V309 HydrophobicContact CE1-CG2 3.43Å; Y307-V309 VanDerWaalsContact CE1-CG2 3.43Å; Y307-V309 HydrophobicContact CE2-CG2 4.24Å; Y307-V309 VanDerWaalsContact OH-CG2 3.28Å; Y307-V309 WeakPolarHBondContact OH-CG2 3.35Å; Y307-A415 HydrophobicContact CE2-CB 4.06Å; Y307-A416 CarbonylContact C-O 3.6Å; Y307-A416 WeakPolarHBondContact CA-O 3.35Å; Y307-A416 WeakPolarHBondContact CD2-O 3.22Å; Y307-A417 HydrophobicContact CD2-CB 4.02Å
308	A	98.9	Very high	98.6	Very high	4 Å²	4	24.9 Å²	24.9	3%	0.033	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	140.7	177	0	0	0	0	0	110.3	V327 A328 K331 A415 A416	A308-V327 HydrophobicContact CB-CB 3.93Å; A308-V327 HydrophobicContact CB-CG1 3.65Å; A308-A328 HydrophobicContact CB-CB 3.92Å; A308-K331 HydrophobicContact CB-CD 4.48Å; A308-A415 CarbonylContact O-C 3.6Å; A308-A415 VanDerWaalsContact O-CA 3.25Å; A308-A415 WeakPolarHBondContact O-CA 3.36Å; A308-A416 PolarHBondContact N-O 3.42Å; A308-A416 PolarHBondContact O-N 2.74Å
309	V	98.9	Very high	98.6	Very high	52 Å²	52	24.3 Å²	24.3	32%	0.315	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	134.1	169.5	-176.3	0	0	0	0	107.6	Y307 G414 A415	Y307-V309 HydrophobicContact CD1-CG2 4.31Å; Y307-V309 HydrophobicContact CE1-CG2 3.43Å; Y307-V309 VanDerWaalsContact CE1-CG2 3.43Å; Y307-V309 HydrophobicContact CE2-CG2 4.24Å; Y307-V309 VanDerWaalsContact OH-CG2 3.28Å; Y307-V309 WeakPolarHBondContact OH-CG2 3.35Å; V309-G414 CarbonylContact C-O 3.49Å; V309-G414 WeakPolarHBondContact CA-O 3.16Å; V309-A415 HydrophobicContact CG2-CB 4.13Å
310	V	98.8	Very high	98.6	Very high	30 Å²	30	20.9 Å²	20.9	18%	0.182	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	151.3	-178.9	-58.7	0	0	0	0	110.6	A324 V327 M413 G414	V310-A324 HydrophobicContact CG2-CB 3.94Å; V310-V327 HydrophobicContact CG1-CG2 4.1Å; V310-M413 CarbonylContact O-C 3.39Å; V310-M413 WeakPolarHBondContact O-CA 3.26Å; V310-M413 VanDerWaalsContact O-CB 3.28Å; V310-M413 WeakPolarHBondContact O-CB 3.43Å; V310-G414 PolarHBondContact N-O 3.37Å; V310-G414 PolarHBondContact O-N 3.43Å
311	G	98.7	Very high	98.7	Very high	66 Å²	66	18.8 Å²	18.8	68%	0.68	12%	0.118	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90.8	144	170.8	0	0	0	0	0	111.8
312	V	98.8	Very high	98.7	Very high	21 Å²	21	18.6 Å²	18.6	13%	0.127	12%	0.118	C	C	.	.			trans	-140.4	167.2	174.6	-62.7	0	0	0	0	109.2	I319 Y323 G412	V312-I319 HydrophobicContact CB-CD1 4.17Å; V312-I319 HydrophobicContact CB-CG1 3.96Å; V312-I319 HydrophobicContact CG1-CD1 4.36Å; V312-I319 HydrophobicContact CG1-CG1 4.02Å; V312-I319 HydrophobicContact CG2-CG1 4.11Å; V312-Y323 HydrophobicContact CG1-CD2 4.02Å; V312-Y323 HydrophobicContact CG1-CG 4.33Å; V312-G412 PolarHBondContact N-O 3.43Å; V312-G412 CarbonylContact O-C 3.59Å; V312-G412 VanDerWaalsContact O-CA 3.3Å; V312-G412 WeakPolarHBondContact O-CA 3.49Å
313	P	98.6	Very high	98.7	Very high	50 Å²	50	23.9 Å²	23.9	33%	0.325	14%	0.139	S	C	.	.			trans	-59.8	133	177.7	-24.4	35.3	0	0	0	112.2	D315 I316 M317	P313-D315 VanDerWaalsContact C-N 3.31Å; P313-D315 WeakPolarHBondContact CB-OD1 3.45Å; P313-D315 PolarHBondContact O-N 2.71Å; P313-I316 HydrophobicContact CB-CD1 4.36Å; P313-I316 HydrophobicContact CB-CG1 3.85Å; P313-I316 HydrophobicContact CG-CD1 4.31Å; P313-I316 HydrophobicContact CG-CG1 4.28Å; P313-I316 CarbonylContact O-C 3.58Å; P313-I316 PolarHBondContact O-N 2.79Å; P313-M317 PolarHBondContact O-N 2.84Å
314	P	98.5	Very high	98.7	Very high	14 Å²	14	23.9 Å²	23.9	9%	0.091	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-63.2	-33.1	-177.1	-21.8	31.7	0	0	0	114.1	D176 T184 I316 M317	D176-P314 HydrophobicContact CB-CB 3.87Å; D176-P314 HydrophobicContact CB-CG 4.21Å; T184-P314 WeakPolarHBondContact CG2-O 3.46Å; P314-I316 PolarHBondContact O-N 3.26Å; P314-M317 WeakPolarHBondContact O-CB 3.39Å; P314-M317 PolarHBondContact O-N 3.25Å
315	D	98.4	Very high	98.7	Very high	20 Å²	20	23.6 Å²	23.6	11%	0.107	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-66	-18.1	-179.6	69.3	-57.7	0	0	0	113.7	K173 I179 T184 N187 R191 P313	K173-D315 IonicContact NZ-OD1 2.89Å; I179-D315 HydrophobicContact CD1-CB 3.83Å; T184-D315 WeakPolarHBondContact CA-O 3.46Å; T184-D315 WeakPolarHBondContact CB-O 3.36Å; N187-D315 WeakPolarHBondContact CB-O 3.28Å; N187-D315 PolarHBondContact ND2-O 3.33Å; R191-D315 IonicContact CZ-OD2 3.5Å; R191-D315 IonicContact NH1-OD2 2.76Å; R191-D315 PolarHBondContact NH1-OD2 2.83Å; R191-D315 IonicContact NH2-OD2 3.43Å; P313-D315 VanDerWaalsContact C-N 3.31Å; P313-D315 WeakPolarHBondContact CB-OD1 3.45Å; P313-D315 PolarHBondContact O-N 2.71Å
316	I	98.5	Very high	98.7	Very high	12 Å²	12	24.1 Å²	24.1	6%	0.062	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-133.1	37.7	175.7	51.5	171	0	0	0	111.1	N187 V188 F192 P313 P314 G318 I319	N187-I316 HydrophobicContact CB-CG2 3.81Å; V188-I316 HydrophobicContact CG2-CB 3.84Å; V188-I316 HydrophobicContact CG2-CG2 3.94Å; F192-I316 HydrophobicContact CE2-CD1 4.44Å; F192-I316 HydrophobicContact CZ-CD1 4.26Å; P313-I316 HydrophobicContact CB-CD1 4.36Å; P313-I316 HydrophobicContact CB-CG1 3.85Å; P313-I316 HydrophobicContact CG-CD1 4.31Å; P313-I316 HydrophobicContact CG-CG1 4.28Å; P313-I316 CarbonylContact O-C 3.58Å; P313-I316 PolarHBondContact O-N 2.79Å; P314-I316 PolarHBondContact O-N 3.26Å; I316-G318 PolarHBondContact O-N 2.89Å; I316-I319 HydrophobicContact CB-CG2 4.49Å; I316-I319 HydrophobicContact CD1-CD1 3.79Å; I316-I319 HydrophobicContact CG1-CD1 4.16Å; I316-I319 WeakPolarHBondContact O-CG1 3.48Å; I316-I319 PolarHBondContact O-N 3.47Å; I316-I319 VanDerWaalsContact O-N 3.08Å
317	M	98.4	Very high	98.7	Very high	2 Å²	2	26 Å²	26	1%	0.01	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-49.5	-27	-177.1	68.9	85.3	-176.7	0	0	114.3	M181 T184 P313 P314 I319 G320 F348 C408 I409	M181-M317 HydrophobicContact CB-CE 3.94Å; M181-M317 HydrophobicContact CG-CE 3.93Å; M181-M317 HydrophobicContact SD-CE 4.09Å; T184-M317 HydrophobicContact CG2-CG 4.32Å; T184-M317 WeakPolarHBondContact OG1-CE 3.44Å; P313-M317 PolarHBondContact O-N 2.84Å; P314-M317 WeakPolarHBondContact O-CB 3.39Å; P314-M317 PolarHBondContact O-N 3.25Å; M317-I319 PolarHBondContact O-N 2.84Å; M317-G320 PolarHBondContact O-N 2.96Å; M317-F348 HydrophobicContact CE-CE2 4.28Å; M317-C408 WeakPolarHBondContact O-CB 3.42Å; M317-C408 HydrophobicContact SD-CB 3.9Å; M317-I409 WeakPolarHBondContact CB-O 3.38Å
318	G	98.3	Very high	98.7	Very high	2 Å²	2	23.9 Å²	23.9	2%	0.021	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-54.3	-23.4	178.2	0	0	0	0	0	115.1	I316 G320 P321 Q351 C355	I316-G318 PolarHBondContact O-N 2.89Å; G318-G320 PolarHBondContact O-N 3.13Å; G318-P321 WeakPolarHBondContact O-CD 3.26Å; G318-Q351 VanDerWaalsContact CA-CB 3.47Å; G318-Q351 WeakPolarHBondContact O-CB 3.46Å; G318-Q351 VanDerWaalsContact O-CG 3.26Å; G318-Q351 WeakPolarHBondContact O-CG 3.44Å; G318-C355 PolarHBondContact O-SG 3.16Å
319	I	98.8	Very high	98.7	Very high	5 Å²	5	23.9 Å²	23.9	3%	0.026	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-74.2	-8.4	179.1	74.8	-176.1	0	0	0	113.7	V188 F192 V312 I316 M317 A322 Y323 Y354	V188-I319 HydrophobicContact CG2-CG2 4.21Å; F192-I319 HydrophobicContact CD2-CG2 4.46Å; F192-I319 HydrophobicContact CE2-CG2 3.62Å; F192-I319 HydrophobicContact CZ-CG2 4.14Å; V312-I319 HydrophobicContact CB-CD1 4.17Å; V312-I319 HydrophobicContact CB-CG1 3.96Å; V312-I319 HydrophobicContact CG1-CD1 4.36Å; V312-I319 HydrophobicContact CG1-CG1 4.02Å; V312-I319 HydrophobicContact CG2-CG1 4.11Å; I316-I319 HydrophobicContact CB-CG2 4.49Å; I316-I319 HydrophobicContact CD1-CD1 3.79Å; I316-I319 HydrophobicContact CG1-CD1 4.16Å; I316-I319 WeakPolarHBondContact O-CG1 3.48Å; I316-I319 PolarHBondContact O-N 3.47Å; I316-I319 VanDerWaalsContact O-N 3.08Å; M317-I319 PolarHBondContact O-N 2.84Å; I319-A322 VanDerWaalsContact O-CB 3.28Å; I319-A322 WeakPolarHBondContact O-CB 3.43Å; I319-A322 PolarHBondContact O-N 3.04Å; I319-Y323 HydrophobicContact CB-CE2 4.22Å; I319-Y323 HydrophobicContact CD1-CD2 4.32Å; I319-Y323 HydrophobicContact CD1-CE2 3.69Å; I319-Y323 HydrophobicContact CG1-CD2 4.1Å; I319-Y323 HydrophobicContact CG1-CE2 3.88Å; I319-Y323 WeakPolarHBondContact O-CD2 3.33Å; I319-Y354 HydrophobicContact CB-CD1 4.26Å; I319-Y354 HydrophobicContact CB-CE1 3.62Å; I319-Y354 HydrophobicContact CG2-CD1 3.85Å; I319-Y354 HydrophobicContact CG2-CE1 3.4Å; I319-Y354 VanDerWaalsContact CG2-CE1 3.4Å
320	G	98.8	Very high	98.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-42.9	-50.5	-175	0	0	0	0	0	115.2	M317 G318 A322 Y323 A324	M317-G320 PolarHBondContact O-N 2.96Å; G318-G320 PolarHBondContact O-N 3.13Å; G320-A322 VanDerWaalsContact C-N 3.27Å; G320-A322 PolarHBondContact O-N 3.19Å; G320-Y323 PolarHBondContact O-N 2.75Å; G320-Y323 VanDerWaalsContact O-N 3.08Å; G320-A324 WeakPolarHBondContact O-CB 3.48Å; G320-A324 PolarHBondContact O-N 3.49Å
321	P	98.9	Very high	98.7	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.013	19%	0.187	C	C	.	.	H	α-helix	trans	-56.7	-36.3	178.3	-28.3	36.4	0	0	0	114.2	G318 Y323 A324 I325 I344 C355 S406 C408	G318-P321 WeakPolarHBondContact O-CD 3.26Å; P321-Y323 PolarHBondContact O-N 2.94Å; P321-Y323 VanDerWaalsContact O-N 3.13Å; P321-A324 PolarHBondContact O-N 3.39Å; P321-I325 HydrophobicContact CB-CD1 4.15Å; P321-I325 WeakPolarHBondContact O-CB 3.42Å; P321-I325 VanDerWaalsContact O-CG1 3.29Å; P321-I325 WeakPolarHBondContact O-CG1 3.37Å; P321-I325 PolarHBondContact O-N 2.84Å; P321-I344 HydrophobicContact CB-CG2 4.22Å; P321-I344 HydrophobicContact CG-CG2 4.23Å; P321-C355 HydrophobicContact CB-CB 4.13Å; P321-S406 WeakPolarHBondContact CB-OG 3.5Å; P321-C408 HydrophobicContact CG-CB 4.43Å
322	A	98.8	Very high	98.6	Very high	8 Å²	8	31.9 Å²	31.9	7%	0.066	17%	0.166	C	C	.	.	H	α-helix	trans	-62.6	-20.2	179.8	0	0	0	0	0	113.1	I319 G320 P326 Y354 K358	I319-A322 VanDerWaalsContact O-CB 3.28Å; I319-A322 WeakPolarHBondContact O-CB 3.43Å; I319-A322 PolarHBondContact O-N 3.04Å; G320-A322 VanDerWaalsContact C-N 3.27Å; G320-A322 PolarHBondContact O-N 3.19Å; A322-P326 WeakPolarHBondContact O-CD 3.43Å; A322-P326 WeakPolarHBondContact O-CG 3.38Å; A322-Y354 HydrophobicContact CB-CE1 4.02Å; A322-K358 HydrophobicContact CB-CB 4.41Å; A322-K358 HydrophobicContact CB-CG 4.02Å
323	Y	98.8	Very high	98.6	Very high	111 Å²	111	33.1 Å²	33.1	44%	0.435	18%	0.183	S	C	.	.	H	α-helix	trans	-108.9	-31.3	178	-65	-91.1	0	0	0	112.6	V312 I319 G320 P321 V327	V312-Y323 HydrophobicContact CG1-CD2 4.02Å; V312-Y323 HydrophobicContact CG1-CG 4.33Å; I319-Y323 HydrophobicContact CB-CE2 4.22Å; I319-Y323 HydrophobicContact CD1-CD2 4.32Å; I319-Y323 HydrophobicContact CD1-CE2 3.69Å; I319-Y323 HydrophobicContact CG1-CD2 4.1Å; I319-Y323 HydrophobicContact CG1-CE2 3.88Å; I319-Y323 WeakPolarHBondContact O-CD2 3.33Å; G320-Y323 PolarHBondContact O-N 2.75Å; G320-Y323 VanDerWaalsContact O-N 3.08Å; P321-Y323 PolarHBondContact O-N 2.94Å; P321-Y323 VanDerWaalsContact O-N 3.13Å; Y323-V327 WeakPolarHBondContact O-CG2 3.31Å
324	A	98.9	Very high	98.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-74	-41.3	179.1	0	0	0	0	0	112.8	V310 G320 P321 V327 A328 A416	V310-A324 HydrophobicContact CG2-CB 3.94Å; G320-A324 WeakPolarHBondContact O-CB 3.48Å; G320-A324 PolarHBondContact O-N 3.49Å; P321-A324 PolarHBondContact O-N 3.39Å; A324-V327 PolarHBondContact O-N 3.07Å; A324-A328 PolarHBondContact O-N 3.28Å; A324-A416 HydrophobicContact CB-CB 3.82Å
325	I	98.9	Very high	98.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60.8	-50	-177.1	-67.7	171.8	0	0	0	111.3	P321 V327 A328 L329 F342 I344 L359 V404 S406 A416	P321-I325 HydrophobicContact CB-CD1 4.15Å; P321-I325 WeakPolarHBondContact O-CB 3.42Å; P321-I325 VanDerWaalsContact O-CG1 3.29Å; P321-I325 WeakPolarHBondContact O-CG1 3.37Å; P321-I325 PolarHBondContact O-N 2.84Å; I325-V327 VanDerWaalsContact C-N 3.28Å; I325-V327 PolarHBondContact O-N 3.31Å; I325-A328 PolarHBondContact O-N 3.47Å; I325-L329 HydrophobicContact CG2-CD1 3.72Å; I325-L329 HydrophobicContact CG2-CG 4.15Å; I325-L329 WeakPolarHBondContact O-CG 3.34Å; I325-L329 PolarHBondContact O-N 2.79Å; I325-F342 HydrophobicContact CG2-CE1 4.21Å; I325-I344 HydrophobicContact CD1-CD1 3.7Å; I325-I344 HydrophobicContact CD1-CG1 4.09Å; I325-L359 HydrophobicContact CB-CD1 3.95Å; I325-L359 HydrophobicContact CD1-CD1 3.68Å; I325-L359 HydrophobicContact CG1-CD1 4.35Å; I325-L359 HydrophobicContact CG2-CD1 4.16Å; I325-V404 HydrophobicContact CD1-CG1 4.36Å; I325-V404 HydrophobicContact CG1-CG1 4Å; I325-V404 HydrophobicContact CG2-CG1 4.43Å; I325-S406 WeakPolarHBondContact CG1-OG 3.26Å; I325-A416 HydrophobicContact CG1-CB 3.95Å
326	P	98.8	Very high	98.5	Very high	56 Å²	56	35 Å²	35	36%	0.364	19%	0.193	S	C	.	.	H	α-helix	trans	-55.8	-41.2	176.9	-27.7	36.3	0	0	0	113.4	A322 L329 Q330 L359	A322-P326 WeakPolarHBondContact O-CD 3.43Å; A322-P326 WeakPolarHBondContact O-CG 3.38Å; P326-L329 PolarHBondContact O-N 3.05Å; P326-Q330 WeakPolarHBondContact O-CB 3.19Å; P326-Q330 PolarHBondContact O-N 2.89Å; P326-L359 HydrophobicContact CG-CD2 3.63Å
327	V	98.8	Very high	98.5	Very high	46 Å²	46	38.8 Å²	38.8	28%	0.279	22%	0.221	S	C	.	.	H	α-helix	trans	-67.3	-41.8	179.2	178.6	0	0	0	0	111.4	A308 V310 Y323 A324 I325 K331	A308-V327 HydrophobicContact CB-CB 3.93Å; A308-V327 HydrophobicContact CB-CG1 3.65Å; V310-V327 HydrophobicContact CG1-CG2 4.1Å; Y323-V327 WeakPolarHBondContact O-CG2 3.31Å; A324-V327 PolarHBondContact O-N 3.07Å; I325-V327 VanDerWaalsContact C-N 3.28Å; I325-V327 PolarHBondContact O-N 3.31Å; V327-K331 HydrophobicContact CG1-CD 4.3Å; V327-K331 WeakPolarHBondContact O-CB 3.41Å; V327-K331 WeakPolarHBondContact O-CG 3.45Å; V327-K331 PolarHBondContact O-N 2.83Å
328	A	98.8	Very high	98.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65	-42.6	176.8	0	0	0	0	0	111.7	S306 A308 A324 I325 K331 A332 A416 V418	S306-A328 WeakPolarHBondContact CB-O 3.26Å; S306-A328 PolarHBondContact OG-O 3.38Å; A308-A328 HydrophobicContact CB-CB 3.92Å; A324-A328 PolarHBondContact O-N 3.28Å; I325-A328 PolarHBondContact O-N 3.47Å; A328-K331 PolarHBondContact O-N 3.05Å; A328-A332 PolarHBondContact O-N 3.41Å; A328-A332 VanDerWaalsContact O-N 3.08Å; A328-A416 HydrophobicContact CB-CB 3.75Å; A328-V418 HydrophobicContact CB-CG2 4.12Å
329	L	98.7	Very high	98.5	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.021	23%	0.231	C	C	.	.	H	α-helix	trans	-63.7	-45.9	176.7	-68.3	175.3	0	0	0	111.9	I325 P326 K331 A332 G333 L334 V336 V339 V404 V418	I325-L329 HydrophobicContact CG2-CD1 3.72Å; I325-L329 HydrophobicContact CG2-CG 4.15Å; I325-L329 WeakPolarHBondContact O-CG 3.34Å; I325-L329 PolarHBondContact O-N 2.79Å; P326-L329 PolarHBondContact O-N 3.05Å; L329-K331 VanDerWaalsContact C-N 3.31Å; L329-K331 PolarHBondContact O-N 3.05Å; L329-A332 CarbonylContact O-C 3.48Å; L329-A332 WeakPolarHBondContact O-CA 3.38Å; L329-A332 PolarHBondContact O-N 3.04Å; L329-G333 PolarHBondContact O-N 3.09Å; L329-L334 CarbonylContact C-O 3.56Å; L329-L334 HydrophobicContact CD2-CB 4.13Å; L329-L334 PolarHBondContact O-N 3.08Å; L329-V336 HydrophobicContact CD1-CG2 3.87Å; L329-V339 HydrophobicContact CD2-CG2 3.49Å; L329-V339 VanDerWaalsContact CD2-CG2 3.49Å; L329-V404 HydrophobicContact CD2-CG2 3.94Å; L329-V418 HydrophobicContact CD2-CG2 3.99Å
330	Q	98.4	Very high	98.5	Very high	151 Å²	151	43.3 Å²	43.3	71%	0.706	25%	0.245	S	C	*	.	H	α-helix	trans	-56.9	-44.9	175.3	-175.1	-174.8	13.2	0	0	111.6	P326 A332 G333	P326-Q330 WeakPolarHBondContact O-CB 3.19Å; P326-Q330 PolarHBondContact O-N 2.89Å; Q330-A332 PolarHBondContact O-N 2.8Å; Q330-G333 PolarHBondContact O-N 2.94Å; Q330-G333 VanDerWaalsContact O-N 3.08Å
331	K	98.3	Very high	98.5	Very high	137 Å²	137	43.3 Å²	43.3	60%	0.596	25%	0.245	S	C	*	.	H	α-helix	trans	-63.4	-28.3	176.5	-75.7	174.7	179.9	-67.8	0	113.4	A308 V327 A328 L329	A308-K331 HydrophobicContact CB-CD 4.48Å; V327-K331 HydrophobicContact CG1-CD 4.3Å; V327-K331 WeakPolarHBondContact O-CB 3.41Å; V327-K331 WeakPolarHBondContact O-CG 3.45Å; V327-K331 PolarHBondContact O-N 2.83Å; A328-K331 PolarHBondContact O-N 3.05Å; L329-K331 VanDerWaalsContact C-N 3.31Å; L329-K331 PolarHBondContact O-N 3.05Å
332	A	98	Very high	98.5	Very high	29 Å²	29	43.2 Å²	43.2	24%	0.24	24%	0.244	C	C	.	.	H	α-helix	trans	-87.7	-4.2	175.8	0	0	0	0	0	113.2	R305 A328 L329 Q330 L334 V418	R305-A332 HydrophobicContact CB-CB 4.33Å; A328-A332 PolarHBondContact O-N 3.41Å; A328-A332 VanDerWaalsContact O-N 3.08Å; L329-A332 CarbonylContact O-C 3.48Å; L329-A332 WeakPolarHBondContact O-CA 3.38Å; L329-A332 PolarHBondContact O-N 3.04Å; Q330-A332 PolarHBondContact O-N 2.8Å; A332-L334 HydrophobicContact CB-CD1 4.03Å; A332-L334 HydrophobicContact CB-CG 4.06Å; A332-V418 HydrophobicContact CB-CB 4.09Å; A332-V418 HydrophobicContact CB-CG1 3.99Å; A332-V418 HydrophobicContact CB-CG2 4.04Å
333	G	97.4	Very high	98.5	Very high	46 Å²	46	43 Å²	43	47%	0.474	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	32.8	-174.4	0	0	0	0	0	113.5	L329 Q330	L329-G333 PolarHBondContact O-N 3.09Å; Q330-G333 PolarHBondContact O-N 2.94Å; Q330-G333 VanDerWaalsContact O-N 3.08Å
334	L	98	Very high	98.5	Very high	12 Å²	12	37.8 Å²	37.8	6%	0.063	22%	0.221	C	C	.	.			trans	-122.3	164.2	-176.3	-60.3	177.8	0	0	0	112.1	L329 A332 D338 Y402 V418	L329-L334 CarbonylContact C-O 3.56Å; L329-L334 HydrophobicContact CD2-CB 4.13Å; L329-L334 PolarHBondContact O-N 3.08Å; A332-L334 HydrophobicContact CB-CD1 4.03Å; A332-L334 HydrophobicContact CB-CG 4.06Å; L334-D338 HydrophobicContact CB-CB 4.28Å; L334-D338 HydrophobicContact CD2-CB 3.98Å; L334-Y402 HydrophobicContact CD1-CD1 3.63Å; L334-Y402 HydrophobicContact CD1-CD2 3.92Å; L334-Y402 HydrophobicContact CD1-CE1 3.96Å; L334-Y402 HydrophobicContact CD1-CE2 4.22Å; L334-Y402 HydrophobicContact CD1-CG 3.6Å; L334-Y402 HydrophobicContact CD2-CD2 4.11Å; L334-Y402 HydrophobicContact CD2-CE2 3.78Å; L334-V418 HydrophobicContact CD1-CG1 3.83Å
335	T	98.2	Very high	98.5	Very high	68 Å²	68	37.8 Å²	37.8	42%	0.417	22%	0.221	S	C	.	.			trans	-115	171.6	171.1	68.7	0	0	0	0	110.5	S337 D338	T335-S337 PolarHBondContact O-N 2.8Å; T335-S337 PolarHBondContact OG1-OG 3.14Å; T335-D338 WeakPolarHBondContact CA-OD2 3.44Å; T335-D338 WeakPolarHBondContact CB-OD2 3.41Å; T335-D338 PolarHBondContact N-OD2 3.37Å; T335-D338 PolarHBondContact O-N 3.27Å; T335-D338 VanDerWaalsContact OG1-CG 3.29Å; T335-D338 PolarHBondContact OG1-OD2 3.24Å
336	V	98.3	Very high	98.5	Very high	44 Å²	44	37.8 Å²	37.8	27%	0.267	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-60	-33.8	176.2	168.3	0	0	0	0	112	L329 D338 V339 F342 L361	L329-V336 HydrophobicContact CD1-CG2 3.87Å; V336-D338 VanDerWaalsContact C-N 3.25Å; V336-D338 PolarHBondContact O-N 2.7Å; V336-V339 PolarHBondContact O-N 2.63Å; V336-F342 HydrophobicContact CG1-CZ 4.19Å; V336-L361 HydrophobicContact CB-CD2 4.49Å; V336-L361 HydrophobicContact CG1-CD2 3.49Å; V336-L361 VanDerWaalsContact CG1-CD2 3.49Å; V336-L361 HydrophobicContact CG2-CD2 4.16Å
337	S	97.6	Very high	98.4	Very high	92 Å²	92	35.3 Å²	35.3	64%	0.643	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-68.5	-23.5	-179.7	37	0	0	0	0	113.7	T335 V339	T335-S337 PolarHBondContact O-N 2.8Å; T335-S337 PolarHBondContact OG1-OG 3.14Å; S337-V339 VanDerWaalsContact C-N 3.27Å; S337-V339 PolarHBondContact O-N 3.31Å
338	D	97.8	Very high	98.4	Very high	45 Å²	45	33.9 Å²	33.9	24%	0.241	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-80.2	-8.1	-178.4	-54.7	-46.5	0	0	0	113.2	L334 T335 V336	L334-D338 HydrophobicContact CB-CB 4.28Å; L334-D338 HydrophobicContact CD2-CB 3.98Å; T335-D338 WeakPolarHBondContact CA-OD2 3.44Å; T335-D338 WeakPolarHBondContact CB-OD2 3.41Å; T335-D338 PolarHBondContact N-OD2 3.37Å; T335-D338 PolarHBondContact O-N 3.27Å; T335-D338 VanDerWaalsContact OG1-CG 3.29Å; T335-D338 PolarHBondContact OG1-OD2 3.24Å; V336-D338 VanDerWaalsContact C-N 3.25Å; V336-D338 PolarHBondContact O-N 2.7Å
339	V	98.7	Very high	98.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	132.4	-176.1	-177.7	0	0	0	0	110.7	L329 V336 S337 I341 F342 K365 V404	L329-V339 HydrophobicContact CD2-CG2 3.49Å; L329-V339 VanDerWaalsContact CD2-CG2 3.49Å; V336-V339 PolarHBondContact O-N 2.63Å; S337-V339 VanDerWaalsContact C-N 3.27Å; S337-V339 PolarHBondContact O-N 3.31Å; V339-I341 VanDerWaalsContact CG1-O 3.29Å; V339-I341 WeakPolarHBondContact CG1-O 3.48Å; V339-F342 HydrophobicContact CB-CE1 4.04Å; V339-F342 HydrophobicContact CB-CE2 3.66Å; V339-F342 HydrophobicContact CB-CZ 3.38Å; V339-F342 HydrophobicContact CG1-CD1 4.13Å; V339-F342 HydrophobicContact CG1-CD2 3.91Å; V339-F342 HydrophobicContact CG1-CE1 3.76Å; V339-F342 HydrophobicContact CG1-CE2 3.52Å; V339-F342 HydrophobicContact CG1-CG 4.19Å; V339-F342 HydrophobicContact CG1-CZ 3.45Å; V339-F342 VanDerWaalsContact CG1-CZ 3.45Å; V339-F342 HydrophobicContact CG2-CE1 4.16Å; V339-F342 HydrophobicContact CG2-CZ 3.83Å; V339-K365 WeakPolarHBondContact O-CD 3.34Å; V339-K365 PolarHBondContact O-NZ 2.82Å; V339-V404 HydrophobicContact CG1-CB 4.39Å; V339-V404 HydrophobicContact CG1-CG2 3.88Å; V339-V404 HydrophobicContact CG2-CG2 3.96Å
340	D	98.6	Very high	98.4	Very high	59 Å²	59	33.7 Å²	33.7	32%	0.316	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-35.2	-179.7	-68.2	-96.9	0	0	0	113	K365 L394 A401 Y402	D340-K365 WeakPolarHBondContact O-CB 3.47Å; D340-K365 WeakPolarHBondContact O-CG 3.39Å; D340-L394 HydrophobicContact CB-CD2 4.18Å; D340-A401 HydrophobicContact CB-CB 4.03Å; D340-A401 WeakPolarHBondContact OD2-CA 3.32Å; D340-A401 VanDerWaalsContact OD2-CB 3.31Å; D340-A401 WeakPolarHBondContact OD2-CB 3.16Å; D340-Y402 PolarHBondContact N-O 3.08Å; D340-Y402 PolarHBondContact OD2-N 2.99Å
341	I	98.8	Very high	98.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	136	-176.7	-56.9	-178.2	0	0	0	111	V339 K365 P368 L390 E393 L394 R397 G403 V404	V339-I341 VanDerWaalsContact CG1-O 3.29Å; V339-I341 WeakPolarHBondContact CG1-O 3.48Å; I341-K365 WeakPolarHBondContact CA-O 3.42Å; I341-P368 HydrophobicContact CD1-CG 4.29Å; I341-P368 HydrophobicContact CG2-CG 3.85Å; I341-L390 HydrophobicContact CB-CD1 3.62Å; I341-L390 HydrophobicContact CG2-CD1 3.49Å; I341-L390 VanDerWaalsContact CG2-CD1 3.49Å; I341-E393 HydrophobicContact CD1-CB 4Å; I341-E393 HydrophobicContact CD1-CG 3.31Å; I341-L394 HydrophobicContact CB-CD2 4.26Å; I341-L394 HydrophobicContact CD1-CD2 3.47Å; I341-L394 VanDerWaalsContact CD1-CD2 3.47Å; I341-L394 HydrophobicContact CD1-CG 4.05Å; I341-L394 HydrophobicContact CG1-CD2 3.76Å; I341-R397 VanDerWaalsContact CD1-CZ 3.43Å; I341-G403 CarbonylContact O-C 2.89Å; I341-G403 VanDerWaalsContact O-CA 3.28Å; I341-G403 WeakPolarHBondContact O-CA 3.5Å; I341-V404 PolarHBondContact O-N 2.74Å
342	F	98.9	Very high	98.4	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	113.9	170.2	-62.7	-95.3	0	0	0	109.6	I325 V336 V339 I344 L361 K365 V366 N367 V404	I325-F342 HydrophobicContact CG2-CE1 4.21Å; V336-F342 HydrophobicContact CG1-CZ 4.19Å; V339-F342 HydrophobicContact CB-CE1 4.04Å; V339-F342 HydrophobicContact CB-CE2 3.66Å; V339-F342 HydrophobicContact CB-CZ 3.38Å; V339-F342 HydrophobicContact CG1-CD1 4.13Å; V339-F342 HydrophobicContact CG1-CD2 3.91Å; V339-F342 HydrophobicContact CG1-CE1 3.76Å; V339-F342 HydrophobicContact CG1-CE2 3.52Å; V339-F342 HydrophobicContact CG1-CG 4.19Å; V339-F342 HydrophobicContact CG1-CZ 3.45Å; V339-F342 VanDerWaalsContact CG1-CZ 3.45Å; V339-F342 HydrophobicContact CG2-CE1 4.16Å; V339-F342 HydrophobicContact CG2-CZ 3.83Å; F342-I344 HydrophobicContact CB-CD1 4.26Å; F342-I344 HydrophobicContact CB-CG1 4.09Å; F342-I344 PolarHBondContact O-N 2.81Å; F342-L361 HydrophobicContact CD1-CD1 4.05Å; F342-L361 HydrophobicContact CD1-CD2 4.5Å; F342-L361 HydrophobicContact CD2-CD1 4.44Å; F342-L361 HydrophobicContact CE1-CD1 4.35Å; F342-L361 HydrophobicContact CE1-CD2 3.99Å; F342-L361 HydrophobicContact CE2-CD2 4.18Å; F342-L361 HydrophobicContact CG-CD1 4.11Å; F342-L361 HydrophobicContact CZ-CD2 3.8Å; F342-K365 HydrophobicContact CD2-CB 4.13Å; F342-K365 PolarHBondContact N-O 3.47Å; F342-V366 HydrophobicContact CB-CG2 4.27Å; F342-V366 CarbonylContact O-C 3.57Å; F342-V366 WeakPolarHBondContact O-CA 3.39Å; F342-N367 PolarHBondContact O-N 3.43Å; F342-N367 PolarHBondContact O-OD1 3.01Å; F342-V404 CarbonylContact C-O 3.57Å; F342-V404 WeakPolarHBondContact CA-O 3.47Å; F342-V404 HydrophobicContact CD1-CB 3.66Å; F342-V404 HydrophobicContact CD1-CG1 4.07Å; F342-V404 HydrophobicContact CD1-CG2 4.07Å; F342-V404 HydrophobicContact CE1-CB 4.07Å; F342-V404 HydrophobicContact CE1-CG2 3.94Å; F342-V404 HydrophobicContact CG-CB 4.49Å
343	E	98.9	Very high	98.5	Very high	2 Å²	2	19 Å²	19	1%	0.009	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	90.8	163.5	-81.2	-68.9	134.8	0	0	108.7	N367 R385 Q386 L390 V404 V405 S406	E343-N367 VanDerWaalsContact CA-OD1 3.27Å; E343-N367 WeakPolarHBondContact CA-OD1 3.35Å; E343-R385 IonicContact OE2-NH1 2.98Å; E343-R385 PolarHBondContact OE2-NH1 2.95Å; E343-Q386 HydrophobicContact CB-CB 4.14Å; E343-Q386 HydrophobicContact CB-CG 4.37Å; E343-Q386 PolarHBondContact O-NE2 2.96Å; E343-L390 HydrophobicContact CG-CB 3.95Å; E343-L390 HydrophobicContact CG-CD1 4.41Å; E343-V404 PolarHBondContact N-O 3.23Å; E343-V405 HydrophobicContact CB-CG2 4.36Å; E343-V405 CarbonylContact O-C 3.56Å; E343-V405 WeakPolarHBondContact O-CA 3.35Å; E343-S406 PolarHBondContact O-N 3.21Å
344	I	98.9	Very high	98.5	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.01	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	120.4	176.7	-58.7	-179.8	0	0	0	108.9	P321 I325 F342 E346 V356 L361 V366 N367 S406	P321-I344 HydrophobicContact CB-CG2 4.22Å; P321-I344 HydrophobicContact CG-CG2 4.23Å; I325-I344 HydrophobicContact CD1-CD1 3.7Å; I325-I344 HydrophobicContact CD1-CG1 4.09Å; F342-I344 HydrophobicContact CB-CD1 4.26Å; F342-I344 HydrophobicContact CB-CG1 4.09Å; F342-I344 PolarHBondContact O-N 2.81Å; I344-E346 PolarHBondContact O-N 2.94Å; I344-V356 HydrophobicContact CD1-CG2 4.47Å; I344-L361 HydrophobicContact CD1-CD1 3.44Å; I344-L361 VanDerWaalsContact CD1-CD1 3.44Å; I344-V366 HydrophobicContact CB-CG1 4.45Å; I344-V366 HydrophobicContact CD1-CG1 4.48Å; I344-N367 PolarHBondContact N-OD1 3.17Å; I344-N367 PolarHBondContact O-ND2 2.9Å; I344-N367 PolarHBondContact O-OD1 3.29Å; I344-S406 CarbonylContact C-O 3.55Å; I344-S406 WeakPolarHBondContact CA-O 3.44Å
345	N	98.8	Very high	98.6	Very high	1 Å²	1	17 Å²	17	1%	0.005	10%	0.102	C	C	.	.			trans	-61.2	130.9	-176.3	-172.8	36.7	0	0	0	111.9	A347 Q351 A372 H377 T382 S406 M407	N345-A347 VanDerWaalsContact C-N 3.34Å; N345-A347 PolarHBondContact O-N 2.88Å; N345-Q351 PolarHBondContact O-NE2 3.23Å; N345-A372 VanDerWaalsContact OD1-CB 3.26Å; N345-A372 WeakPolarHBondContact OD1-CB 3.24Å; N345-H377 PolarHBondContact ND2-CE1 2.85Å; N345-H377 PolarHBondContact ND2-NE2 3.19Å; N345-T382 HydrophobicContact CB-CG2 4.5Å; N345-S406 PolarHBondContact N-O 3.43Å; N345-M407 HydrophobicContact CB-CB 3.55Å
346	E	98.8	Very high	98.6	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.086	C	C	.	.			trans	-96.1	54.8	-176.5	-49.4	177.6	163.6	0	0	110.5	F202 S206 S276 I344 F348 N367 G371 A372 V373	F202-E346 HydrophobicContact CE1-CB 4.41Å; F202-E346 HydrophobicContact CE1-CG 3.82Å; F202-E346 WeakPolarHBondContact CE1-OE1 3.32Å; F202-E346 HydrophobicContact CZ-CG 4.37Å; S206-E346 VanDerWaalsContact CB-OE2 3.31Å; S206-E346 WeakPolarHBondContact CB-OE2 3.47Å; S206-E346 PolarHBondContact OG-OE1 2.93Å; S206-E346 PolarHBondContact OG-OE2 3.47Å; S276-E346 WeakPolarHBondContact CB-O 3.39Å; I344-E346 PolarHBondContact O-N 2.94Å; E346-F348 PolarHBondContact O-N 3.25Å; E346-N367 WeakPolarHBondContact CG-ND2 3.38Å; E346-N367 PolarHBondContact OE1-ND2 2.78Å; E346-G371 PolarHBondContact OE1-N 3.11Å; E346-G371 WeakPolarHBondContact OE2-CA 3.48Å; E346-G371 PolarHBondContact OE2-N 2.85Å; E346-A372 HydrophobicContact CB-CB 4.17Å; E346-A372 PolarHBondContact OE2-N 3.11Å; E346-V373 HydrophobicContact CB-CG2 3.84Å; E346-V373 PolarHBondContact OE2-N 2.99Å; E346-V373 VanDerWaalsContact OE2-N 3.12Å
347	A	97.9	Very high	98.6	Very high	4 Å²	4	16.8 Å²	16.8	3%	0.033	9%	0.094	C	C	.	.	S	Bend	trans	-52.2	-45.5	179.2	0	0	0	0	0	111.1	S276 N345	S276-A347 WeakPolarHBondContact CB-O 3.42Å; S276-A347 PolarHBondContact N-O 3.09Å; S276-A347 PolarHBondContact OG-O 3.47Å; N345-A347 VanDerWaalsContact C-N 3.34Å; N345-A347 PolarHBondContact O-N 2.88Å
348	F	98.8	Very high	98.6	Very high	16 Å²	16	18.1 Å²	18.1	7%	0.07	9%	0.088	C	C	.	.	B	Isolated β-bridge	trans	-137.5	162	163.5	-46.2	-93.6	0	0	0	110.2	M181 S185 F264 T270 N274 S275 M317 E346 S350 Q351 A352	M181-F348 HydrophobicContact CB-CE2 4.03Å; M181-F348 HydrophobicContact CB-CZ 4.01Å; S185-F348 VanDerWaalsContact CB-CG 3.45Å; S185-F348 WeakPolarHBondContact OG-CB 3.33Å; S185-F348 VanDerWaalsContact OG-CG 3.29Å; S185-F348 WeakPolarHBondContact OG-CG 2.91Å; F264-F348 AromaticContact CE2-CE1 3.84Å; F264-F348 HydrophobicContact CE2-CE1 3.84Å; F264-F348 HydrophobicContact CZ-CE1 4.06Å; T270-F348 HydrophobicContact CG2-CD1 3.54Å; T270-F348 HydrophobicContact CG2-CE1 4.11Å; T270-F348 HydrophobicContact CG2-CG 4.41Å; N274-F348 CarbonylContact O-C 3.48Å; S275-F348 WeakPolarHBondContact OG-CD1 3.33Å; M317-F348 HydrophobicContact CE-CE2 4.28Å; E346-F348 PolarHBondContact O-N 3.25Å; F348-S350 VanDerWaalsContact C-N 3.32Å; F348-Q351 VanDerWaalsContact N-NE2 3.19Å; F348-Q351 PolarHBondContact O-NE2 3.3Å; F348-Q351 PolarHBondContact O-OE1 2.65Å; F348-A352 WeakPolarHBondContact O-CB 3.49Å; F348-A352 PolarHBondContact O-N 3.27Å
349	A	98.8	Very high	98.7	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-72.1	-30.1	175.8	0	0	0	0	0	111.5	Q199 F202 N274 A352 A353	Q199-A349 HydrophobicContact CB-CB 3.83Å; Q199-A349 HydrophobicContact CG-CB 4.26Å; Q199-A349 WeakPolarHBondContact O-CB 3.22Å; F202-A349 HydrophobicContact CB-CB 4.26Å; F202-A349 HydrophobicContact CD1-CB 4.28Å; N274-A349 HydrophobicContact CB-CB 3.91Å; N274-A349 WeakPolarHBondContact O-CB 3.43Å; N274-A349 PolarHBondContact O-N 3.21Å; A349-A352 PolarHBondContact O-N 3.13Å; A349-A353 VanDerWaalsContact O-CB 3.24Å; A349-A353 WeakPolarHBondContact O-CB 3.22Å; A349-A353 PolarHBondContact O-N 3.41Å
350	S	98.6	Very high	98.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-59.8	-50.5	-178.6	70	0	0	0	0	112.5	S185 F348 Y354	S185-S350 WeakPolarHBondContact CA-OG 3.12Å; S185-S350 PolarHBondContact O-OG 2.84Å; S185-S350 PolarHBondContact OG-OG 2.84Å; F348-S350 VanDerWaalsContact C-N 3.32Å; S350-Y354 WeakPolarHBondContact O-CB 3.29Å; S350-Y354 PolarHBondContact O-N 3.37Å; S350-Y354 VanDerWaalsContact O-N 3.11Å
351	Q	98.5	Very high	98.7	Very high	2 Å²	2	25 Å²	25	1%	0.009	11%	0.108	C	C	.	.	H	α-helix	trans	-75.8	-32.6	-180	96.4	-64.8	-33.3	0	0	113	V188 G318 N345 F348 C355	V188-Q351 HydrophobicContact CG1-CB 4.19Å; G318-Q351 VanDerWaalsContact CA-CB 3.47Å; G318-Q351 WeakPolarHBondContact O-CB 3.46Å; G318-Q351 VanDerWaalsContact O-CG 3.26Å; G318-Q351 WeakPolarHBondContact O-CG 3.44Å; N345-Q351 PolarHBondContact O-NE2 3.23Å; F348-Q351 VanDerWaalsContact N-NE2 3.19Å; F348-Q351 PolarHBondContact O-NE2 3.3Å; F348-Q351 PolarHBondContact O-OE1 2.65Å; Q351-C355 WeakPolarHBondContact O-CB 3.14Å; Q351-C355 PolarHBondContact O-N 3.45Å; Q351-C355 PolarHBondContact O-SG 3.48Å
352	A	98.6	Very high	98.6	Very high	2 Å²	2	26.9 Å²	26.9	2%	0.017	12%	0.121	C	C	.	.	H	α-helix	trans	-65.6	-49.3	179	0	0	0	0	0	110.1	F202 F348 A349 Y354 C355 V356	F202-A352 HydrophobicContact CD1-CB 4.43Å; F202-A352 HydrophobicContact CE1-CB 3.71Å; F202-A352 HydrophobicContact CE2-CB 4.17Å; F202-A352 HydrophobicContact CZ-CB 3.57Å; F348-A352 WeakPolarHBondContact O-CB 3.49Å; F348-A352 PolarHBondContact O-N 3.27Å; A349-A352 PolarHBondContact O-N 3.13Å; A352-Y354 PolarHBondContact O-N 3.12Å; A352-C355 PolarHBondContact O-N 3.34Å; A352-V356 VanDerWaalsContact O-CG2 3.32Å; A352-V356 WeakPolarHBondContact O-CG2 3.28Å; A352-V356 PolarHBondContact O-N 2.77Å
353	A	98.7	Very high	98.6	Very high	4 Å²	4	31.4 Å²	31.4	3%	0.033	15%	0.15	C	C	.	.	H	α-helix	trans	-59.5	-46.7	175.2	0	0	0	0	0	111.6	I194 K198 F202 A349 C355 V356 E357	I194-A353 HydrophobicContact CG2-CB 4.08Å; K198-A353 HydrophobicContact CG-CB 4.41Å; F202-A353 HydrophobicContact CD2-CB 4.19Å; A349-A353 VanDerWaalsContact O-CB 3.24Å; A349-A353 WeakPolarHBondContact O-CB 3.22Å; A349-A353 PolarHBondContact O-N 3.41Å; A353-C355 PolarHBondContact O-N 3Å; A353-V356 PolarHBondContact O-N 2.97Å; A353-E357 WeakPolarHBondContact O-CG 3.33Å; A353-E357 PolarHBondContact O-N 3.2Å
354	Y	98.8	Very high	98.5	Very high	17 Å²	17	37.5 Å²	37.5	7%	0.067	18%	0.179	C	C	.	.	H	α-helix	trans	-54.4	-49.4	175	167	-96.2	0	0	0	112.4	V188 F192 I319 A322 S350 A352 V356 E357 K358	V188-Y354 HydrophobicContact CG1-CG 4.33Å; F192-Y354 HydrophobicContact CB-CD2 3.59Å; F192-Y354 HydrophobicContact CB-CE2 3.86Å; F192-Y354 HydrophobicContact CD1-CD2 4.21Å; F192-Y354 AromaticContact CD1-CE2 3.56Å; F192-Y354 HydrophobicContact CD1-CE2 3.56Å; F192-Y354 AromaticContact CD2-CD2 3.75Å; F192-Y354 HydrophobicContact CD2-CD2 3.75Å; F192-Y354 AromaticContact CD2-CE2 3.66Å; F192-Y354 HydrophobicContact CD2-CE2 3.66Å; F192-Y354 HydrophobicContact CD2-CG 4.31Å; F192-Y354 AromaticContact CE1-CE2 3.95Å; F192-Y354 HydrophobicContact CE1-CE2 3.95Å; F192-Y354 HydrophobicContact CE2-CD2 4.48Å; F192-Y354 HydrophobicContact CE2-CE2 4.05Å; F192-Y354 AromaticContact CG-CD2 3.58Å; F192-Y354 HydrophobicContact CG-CD2 3.58Å; F192-Y354 AromaticContact CG-CE2 3.39Å; F192-Y354 HydrophobicContact CG-CE2 3.39Å; F192-Y354 HydrophobicContact CZ-CE2 4.18Å; I319-Y354 HydrophobicContact CB-CD1 4.26Å; I319-Y354 HydrophobicContact CB-CE1 3.62Å; I319-Y354 HydrophobicContact CG2-CD1 3.85Å; I319-Y354 HydrophobicContact CG2-CE1 3.4Å; I319-Y354 VanDerWaalsContact CG2-CE1 3.4Å; A322-Y354 HydrophobicContact CB-CE1 4.02Å; S350-Y354 WeakPolarHBondContact O-CB 3.29Å; S350-Y354 PolarHBondContact O-N 3.37Å; S350-Y354 VanDerWaalsContact O-N 3.11Å; A352-Y354 PolarHBondContact O-N 3.12Å; Y354-V356 PolarHBondContact O-N 3.36Å; Y354-E357 PolarHBondContact O-N 2.58Å; Y354-K358 HydrophobicContact CE1-CB 4.31Å; Y354-K358 HydrophobicContact CE1-CG 4.45Å; Y354-K358 HydrophobicContact CE2-CB 4.32Å; Y354-K358 WeakPolarHBondContact O-CB 3.29Å; Y354-K358 PolarHBondContact O-N 3.39Å
355	C	98.8	Very high	98.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-65.1	-40.9	-176.7	-69.9	0	0	0	0	112	G318 P321 Q351 A352 A353 L359	G318-C355 PolarHBondContact O-SG 3.16Å; P321-C355 HydrophobicContact CB-CB 4.13Å; Q351-C355 WeakPolarHBondContact O-CB 3.14Å; Q351-C355 PolarHBondContact O-N 3.45Å; Q351-C355 PolarHBondContact O-SG 3.48Å; A352-C355 PolarHBondContact O-N 3.34Å; A353-C355 PolarHBondContact O-N 3Å; C355-L359 VanDerWaalsContact O-CB 3.32Å; C355-L359 WeakPolarHBondContact O-CB 3.34Å; C355-L359 WeakPolarHBondContact O-CG 3.49Å; C355-L359 PolarHBondContact O-N 3.38Å
356	V	98.7	Very high	98.5	Very high	14 Å²	14	39.8 Å²	39.8	9%	0.085	19%	0.189	C	C	.	.	H	α-helix	trans	-61.5	-47.7	176.8	170.6	0	0	0	0	110.8	F202 I344 A352 A353 Y354 R360 L361 V366	F202-V356 HydrophobicContact CE2-CG2 4.42Å; I344-V356 HydrophobicContact CD1-CG2 4.47Å; A352-V356 VanDerWaalsContact O-CG2 3.32Å; A352-V356 WeakPolarHBondContact O-CG2 3.28Å; A352-V356 PolarHBondContact O-N 2.77Å; A353-V356 PolarHBondContact O-N 2.97Å; Y354-V356 PolarHBondContact O-N 3.36Å; V356-R360 PolarHBondContact O-N 3.22Å; V356-L361 HydrophobicContact CG1-CB 4.3Å; V356-L361 PolarHBondContact O-N 3.17Å; V356-V366 HydrophobicContact CG1-CG2 4.43Å; V356-V366 HydrophobicContact CG2-CB 4.43Å; V356-V366 HydrophobicContact CG2-CG1 3.93Å; V356-V366 HydrophobicContact CG2-CG2 4Å
357	E	98.6	Very high	98.5	Very high	93 Å²	93	39.9 Å²	39.9	44%	0.435	19%	0.189	S	C	.	.	H	α-helix	trans	-66.9	-46.2	179	-70.2	-174.9	170.1	0	0	112.1	K198 A353 Y354 L359 R360	K198-E357 VanDerWaalsContact CD-OE1 3.26Å; K198-E357 WeakPolarHBondContact CD-OE1 3.49Å; K198-E357 WeakPolarHBondContact CE-OE1 3.28Å; K198-E357 VanDerWaalsContact NZ-CD 3.25Å; K198-E357 IonicContact NZ-OE1 2.63Å; K198-E357 PolarHBondContact NZ-OE1 3.42Å; K198-E357 IonicContact NZ-OE2 3.1Å; K198-E357 PolarHBondContact NZ-OE2 2.94Å; A353-E357 WeakPolarHBondContact O-CG 3.33Å; A353-E357 PolarHBondContact O-N 3.2Å; Y354-E357 PolarHBondContact O-N 2.58Å; E357-L359 VanDerWaalsContact C-N 3.28Å; E357-L359 PolarHBondContact O-N 3.44Å; E357-R360 PolarHBondContact O-N 2.89Å
358	K	98.5	Very high	98.5	Very high	120 Å²	120	40.9 Å²	40.9	52%	0.522	20%	0.195	S	C	.	.	H	α-helix	trans	-59.7	-38.9	-179.4	179.2	59.1	176.6	-179.9	0	112.3	A322 Y354	A322-K358 HydrophobicContact CB-CB 4.41Å; A322-K358 HydrophobicContact CB-CG 4.02Å; Y354-K358 HydrophobicContact CE1-CB 4.31Å; Y354-K358 HydrophobicContact CE1-CG 4.45Å; Y354-K358 HydrophobicContact CE2-CB 4.32Å; Y354-K358 WeakPolarHBondContact O-CB 3.29Å; Y354-K358 PolarHBondContact O-N 3.39Å
359	L	98.6	Very high	98.5	Very high	23 Å²	23	40.6 Å²	40.6	12%	0.12	20%	0.195	C	C	.	.	H	α-helix	trans	-87.6	-6.1	178.7	-69.3	175.1	0	0	0	113.6	I325 P326 C355 E357 L361	I325-L359 HydrophobicContact CB-CD1 3.95Å; I325-L359 HydrophobicContact CD1-CD1 3.68Å; I325-L359 HydrophobicContact CG1-CD1 4.35Å; I325-L359 HydrophobicContact CG2-CD1 4.16Å; P326-L359 HydrophobicContact CG-CD2 3.63Å; C355-L359 VanDerWaalsContact O-CB 3.32Å; C355-L359 WeakPolarHBondContact O-CB 3.34Å; C355-L359 WeakPolarHBondContact O-CG 3.49Å; C355-L359 PolarHBondContact O-N 3.38Å; E357-L359 VanDerWaalsContact C-N 3.28Å; E357-L359 PolarHBondContact O-N 3.44Å; L359-L361 VanDerWaalsContact C-N 3.27Å; L359-L361 HydrophobicContact CB-CD1 4.31Å; L359-L361 HydrophobicContact CB-CD2 3.67Å; L359-L361 HydrophobicContact CB-CG 3.69Å; L359-L361 HydrophobicContact CD1-CD1 4.24Å; L359-L361 HydrophobicContact CD1-CD2 4.43Å; L359-L361 HydrophobicContact CD1-CG 4.47Å; L359-L361 PolarHBondContact O-N 2.83Å
360	R	98.6	Very high	98.5	Very high	217 Å²	217	40.6 Å²	40.6	82%	0.819	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	43.7	-176.2	-62.2	170.3	-79.7	-175	-4	111.8	V356 E357	V356-R360 PolarHBondContact O-N 3.22Å; E357-R360 PolarHBondContact O-N 2.89Å
361	L	98.5	Very high	98.6	Very high	7 Å²	7	40.7 Å²	40.7	4%	0.037	20%	0.195	C	C	.	.			trans	-76	138.5	178.9	-52.1	-177.2	0	0	0	110	V336 F342 I344 V356 L359 P363 V366	V336-L361 HydrophobicContact CB-CD2 4.49Å; V336-L361 HydrophobicContact CG1-CD2 3.49Å; V336-L361 VanDerWaalsContact CG1-CD2 3.49Å; V336-L361 HydrophobicContact CG2-CD2 4.16Å; F342-L361 HydrophobicContact CD1-CD1 4.05Å; F342-L361 HydrophobicContact CD1-CD2 4.5Å; F342-L361 HydrophobicContact CD2-CD1 4.44Å; F342-L361 HydrophobicContact CE1-CD1 4.35Å; F342-L361 HydrophobicContact CE1-CD2 3.99Å; F342-L361 HydrophobicContact CE2-CD2 4.18Å; F342-L361 HydrophobicContact CG-CD1 4.11Å; F342-L361 HydrophobicContact CZ-CD2 3.8Å; I344-L361 HydrophobicContact CD1-CD1 3.44Å; I344-L361 VanDerWaalsContact CD1-CD1 3.44Å; V356-L361 HydrophobicContact CG1-CB 4.3Å; V356-L361 PolarHBondContact O-N 3.17Å; L359-L361 VanDerWaalsContact C-N 3.27Å; L359-L361 HydrophobicContact CB-CD1 4.31Å; L359-L361 HydrophobicContact CB-CD2 3.67Å; L359-L361 HydrophobicContact CB-CG 3.69Å; L359-L361 HydrophobicContact CD1-CD1 4.24Å; L359-L361 HydrophobicContact CD1-CD2 4.43Å; L359-L361 HydrophobicContact CD1-CG 4.47Å; L359-L361 PolarHBondContact O-N 2.83Å; L361-P363 WeakPolarHBondContact O-CD 3.2Å; L361-V366 HydrophobicContact CB-CG2 4.01Å; L361-V366 HydrophobicContact CD1-CG2 4.15Å
362	P	98	Very high	98.6	Very high	40 Å²	40	40.6 Å²	40.6	26%	0.26	20%	0.195	S	C	.	.			trans	-62.2	118.6	170.9	-20.4	32.6	0	0	0	110.4	E364 K365	P362-E364 VanDerWaalsContact C-OE2 3.3Å; P362-E364 VanDerWaalsContact CB-CD 3.49Å; P362-E364 WeakPolarHBondContact CB-OE1 3.31Å; P362-E364 WeakPolarHBondContact CB-OE2 3.47Å; P362-E364 PolarHBondContact O-N 3.08Å; P362-E364 VanDerWaalsContact O-N 3.15Å; P362-K365 HydrophobicContact CB-CD 4.25Å; P362-K365 HydrophobicContact CB-CG 4.19Å; P362-K365 HydrophobicContact CG-CD 4.14Å; P362-K365 WeakPolarHBondContact O-CB 3.14Å; P362-K365 PolarHBondContact O-N 3.33Å
363	P	97.2	Very high	98.6	Very high	95 Å²	95	40.6 Å²	40.6	62%	0.617	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-58.5	-30.7	-171.5	-27.2	35.7	0	0	0	114.6	L361 K365 V366	L361-P363 WeakPolarHBondContact O-CD 3.2Å; P363-K365 PolarHBondContact O-N 3.02Å; P363-V366 PolarHBondContact O-N 2.71Å
364	E	98	Very high	98.6	Very high	131 Å²	131	40.4 Å²	40.4	61%	0.612	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-67.7	-20.3	177.7	74.7	-72.9	175.5	0	0	113.6	P362	P362-E364 VanDerWaalsContact C-OE2 3.3Å; P362-E364 VanDerWaalsContact CB-CD 3.49Å; P362-E364 WeakPolarHBondContact CB-OE1 3.31Å; P362-E364 WeakPolarHBondContact CB-OE2 3.47Å; P362-E364 PolarHBondContact O-N 3.08Å; P362-E364 VanDerWaalsContact O-N 3.15Å
365	K	98.7	Very high	98.6	Very high	47 Å²	47	39.6 Å²	39.6	20%	0.204	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-87	-11	174.7	-63.5	-171.8	172.1	-171.6	0	113	V339 D340 I341 F342 P362 P363	V339-K365 WeakPolarHBondContact O-CD 3.34Å; V339-K365 PolarHBondContact O-NZ 2.82Å; D340-K365 WeakPolarHBondContact O-CB 3.47Å; D340-K365 WeakPolarHBondContact O-CG 3.39Å; I341-K365 WeakPolarHBondContact CA-O 3.42Å; F342-K365 HydrophobicContact CD2-CB 4.13Å; F342-K365 PolarHBondContact N-O 3.47Å; P362-K365 HydrophobicContact CB-CD 4.25Å; P362-K365 HydrophobicContact CB-CG 4.19Å; P362-K365 HydrophobicContact CG-CD 4.14Å; P362-K365 WeakPolarHBondContact O-CB 3.14Å; P362-K365 PolarHBondContact O-N 3.33Å; P363-K365 PolarHBondContact O-N 3.02Å
366	V	98.9	Very high	98.6	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.024	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-96.3	121.3	-175.3	-176	0	0	0	0	111	K209 F342 I344 V356 L361 P363	K209-V366 PolarHBondContact NZ-O 2.89Å; F342-V366 HydrophobicContact CB-CG2 4.27Å; F342-V366 CarbonylContact O-C 3.57Å; F342-V366 WeakPolarHBondContact O-CA 3.39Å; I344-V366 HydrophobicContact CB-CG1 4.45Å; I344-V366 HydrophobicContact CD1-CG1 4.48Å; V356-V366 HydrophobicContact CG1-CG2 4.43Å; V356-V366 HydrophobicContact CG2-CB 4.43Å; V356-V366 HydrophobicContact CG2-CG1 3.93Å; V356-V366 HydrophobicContact CG2-CG2 4Å; L361-V366 HydrophobicContact CB-CG2 4.01Å; L361-V366 HydrophobicContact CD1-CG2 4.15Å; P363-V366 PolarHBondContact O-N 2.71Å
367	N	98.8	Very high	98.6	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	19%	0.188	C	C	.	.	S	Bend	trans	43.6	59.3	-179.5	-55.1	-22	0	0	0	111.5	K209 F342 E343 I344 E346 L369 G370	K209-N367 WeakPolarHBondContact CD-O 3.49Å; K209-N367 WeakPolarHBondContact CE-O 3.48Å; K209-N367 PolarHBondContact NZ-O 3.45Å; F342-N367 PolarHBondContact O-N 3.43Å; F342-N367 PolarHBondContact O-OD1 3.01Å; E343-N367 VanDerWaalsContact CA-OD1 3.27Å; E343-N367 WeakPolarHBondContact CA-OD1 3.35Å; I344-N367 PolarHBondContact N-OD1 3.17Å; I344-N367 PolarHBondContact O-ND2 2.9Å; I344-N367 PolarHBondContact O-OD1 3.29Å; E346-N367 WeakPolarHBondContact CG-ND2 3.38Å; E346-N367 PolarHBondContact OE1-ND2 2.78Å; N367-L369 PolarHBondContact O-N 2.92Å; N367-G370 PolarHBondContact O-N 2.95Å
368	P	98.8	Very high	98.6	Very high	26 Å²	26	34.9 Å²	34.9	17%	0.169	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-19.7	-170.5	24.6	-34.2	0	0	0	113.1	I341 E393	I341-P368 HydrophobicContact CD1-CG 4.29Å; I341-P368 HydrophobicContact CG2-CG 3.85Å; P368-E393 HydrophobicContact CG-CG 4.26Å
369	L	98.8	Very high	98.6	Very high	10 Å²	10	29.8 Å²	29.8	5%	0.052	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	12.2	178.3	-50.7	179.6	0	0	0	113.3	A210 A213 C218 F219 N367 T389 E393	A210-L369 WeakPolarHBondContact CA-O 3.46Å; A210-L369 PolarHBondContact N-O 2.81Å; A213-L369 HydrophobicContact CB-CB 3.84Å; A213-L369 HydrophobicContact CB-CD2 3.9Å; A213-L369 HydrophobicContact CB-CG 4.39Å; C218-L369 HydrophobicContact CB-CD1 4.45Å; C218-L369 HydrophobicContact CB-CD2 4.4Å; F219-L369 HydrophobicContact CE1-CB 3.9Å; F219-L369 HydrophobicContact CE1-CD1 4Å; F219-L369 HydrophobicContact CZ-CB 3.98Å; N367-L369 PolarHBondContact O-N 2.92Å; L369-T389 HydrophobicContact CD1-CG2 3.9Å; L369-E393 HydrophobicContact CD1-CB 4.12Å; L369-E393 HydrophobicContact CD1-CG 4.41Å
370	G	98.8	Very high	98.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.139	C	C	.	.			trans	81.4	159.3	-170.2	0	0	0	0	0	111.8	S206 K209 N367	S206-G370 WeakPolarHBondContact O-CA 3.5Å; K209-G370 VanDerWaalsContact CB-N 3.34Å; N367-G370 PolarHBondContact O-N 2.95Å
371	G	98.7	Very high	98.6	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.01	10%	0.101	C	C	.	.			trans	-128.1	-156.8	-175.9	0	0	0	0	0	112.7	S206 E346 V373 A374 L375	S206-G371 PolarHBondContact OG-N 3Å; E346-G371 PolarHBondContact OE1-N 3.11Å; E346-G371 WeakPolarHBondContact OE2-CA 3.48Å; E346-G371 PolarHBondContact OE2-N 2.85Å; G371-V373 VanDerWaalsContact C-N 3.27Å; G371-V373 PolarHBondContact O-N 3.34Å; G371-A374 PolarHBondContact O-N 3.18Å; G371-L375 WeakPolarHBondContact O-CG 3.41Å; G371-L375 PolarHBondContact O-N 3.04Å
372	A	98.8	Very high	98.6	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-67.5	-17.9	-167.3	0	0	0	0	0	115.5	S276 N345 E346 A374 G376 H377	S276-A372 WeakPolarHBondContact CA-O 3.49Å; N345-A372 VanDerWaalsContact OD1-CB 3.26Å; N345-A372 WeakPolarHBondContact OD1-CB 3.24Å; E346-A372 HydrophobicContact CB-CB 4.17Å; E346-A372 PolarHBondContact OE2-N 3.11Å; A372-A374 PolarHBondContact O-N 3.49Å; A372-G376 VanDerWaalsContact O-CA 3.28Å; A372-G376 WeakPolarHBondContact O-CA 3.21Å; A372-G376 PolarHBondContact O-N 3.15Å; A372-H377 HydrophobicContact CB-CB 4.12Å
373	V	98.8	Very high	98.6	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.012	9%	0.087	C	C	.	.	H	α-helix	trans	-63.9	-35.6	169.7	171.3	0	0	0	0	110.4	A203 G273 Q277 E346 G371	A203-V373 HydrophobicContact CB-CG1 3.78Å; G273-V373 WeakPolarHBondContact O-CG1 3.27Å; Q277-V373 PolarHBondContact NE2-O 3.07Å; E346-V373 HydrophobicContact CB-CG2 3.84Å; E346-V373 PolarHBondContact OE2-N 2.99Å; E346-V373 VanDerWaalsContact OE2-N 3.12Å; G371-V373 VanDerWaalsContact C-N 3.27Å; G371-V373 PolarHBondContact O-N 3.34Å
374	A	98.8	Very high	98.7	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-93	-49.2	177.8	0	0	0	0	0	113.3	Q207 A210 G247 I248 Q277 G371 A372	Q207-A374 HydrophobicContact CG-CB 4.16Å; A210-A374 HydrophobicContact CB-CB 3.51Å; G247-A374 CarbonylContact C-O 3.54Å; G247-A374 WeakPolarHBondContact CA-O 3.47Å; G247-A374 VanDerWaalsContact O-O 3.13Å; I248-A374 PolarHBondContact N-O 3.35Å; Q277-A374 PolarHBondContact NE2-O 2.98Å; Q277-A374 VanDerWaalsContact NE2-O 3.17Å; G371-A374 PolarHBondContact O-N 3.18Å; A372-A374 PolarHBondContact O-N 3.49Å
375	L	98.7	Very high	98.7	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-78.6	-31.9	-173.5	-59.9	174.6	0	0	0	112.8	I48 A210 F219 D245 I248 G371	I48-L375 WeakPolarHBondContact CB-O 3.21Å; I48-L375 HydrophobicContact CD1-CB 4.4Å; I48-L375 WeakPolarHBondContact CG2-O 3.43Å; A210-L375 HydrophobicContact CB-CD2 4.28Å; F219-L375 HydrophobicContact CE2-CD2 4.11Å; F219-L375 HydrophobicContact CZ-CD2 4.05Å; D245-L375 HydrophobicContact CB-CD2 4.19Å; I248-L375 HydrophobicContact CD1-CD2 3.93Å; I248-L375 HydrophobicContact CG1-CD2 4.18Å; G371-L375 WeakPolarHBondContact O-CG 3.41Å; G371-L375 PolarHBondContact O-N 3.04Å
376	G	98.7	Very high	98.8	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.019	C	C	.	.			trans	103.6	163.3	-170.9	0	0	0	0	0	113.9	S279 A372	S279-G376 WeakPolarHBondContact OG-CA 3.37Å; A372-G376 VanDerWaalsContact O-CA 3.28Å; A372-G376 WeakPolarHBondContact O-CA 3.21Å; A372-G376 PolarHBondContact O-N 3.15Å
377	H	98.7	Very high	98.8	Very high	9 Å²	9	3.1 Å²	3.1	4%	0.042	2%	0.018	C	C	.	.			trans	-128.6	76	-178	-173	31.7	0	0	0	112	Q277 N345 A372 L379 T382	Q277-H377 PolarHBondContact O-N 3.32Å; N345-H377 PolarHBondContact ND2-CE1 2.85Å; N345-H377 PolarHBondContact ND2-NE2 3.19Å; A372-H377 HydrophobicContact CB-CB 4.12Å; H377-L379 VanDerWaalsContact C-N 3.28Å; H377-L379 PolarHBondContact O-N 3.15Å; H377-T382 PolarHBondContact CE1-OG1 3.34Å; H377-T382 VanDerWaalsContact ND1-CB 3.33Å; H377-T382 WeakPolarHBondContact ND1-CB 3.37Å; H377-T382 WeakPolarHBondContact ND1-CG2 3.34Å; H377-T382 PolarHBondContact ND1-OG1 2.76Å
378	P	98.6	Very high	98.8	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.018	C	C	.	.			trans	-71.3	88.1	167.5	29.9	-32.4	0	0	0	108.3	I48 E151 S279 G380 C381 T382	I48-P378 HydrophobicContact CD1-CG 4.22Å; I48-P378 HydrophobicContact CG1-CG 4.37Å; I48-P378 HydrophobicContact CG2-CG 4.14Å; E151-P378 HydrophobicContact CB-CB 3.95Å; S279-P378 WeakPolarHBondContact O-CA 3.49Å; S279-P378 WeakPolarHBondContact O-CB 3.28Å; P378-G380 PolarHBondContact O-N 3.39Å; P378-G380 VanDerWaalsContact O-N 3.17Å; P378-C381 HydrophobicContact CB-CB 4.02Å; P378-C381 HydrophobicContact CG-CB 3.81Å; P378-C381 WeakPolarHBondContact O-CA 3.39Å; P378-C381 WeakPolarHBondContact O-CB 3.42Å; P378-C381 PolarHBondContact O-N 3.05Å; P378-T382 PolarHBondContact O-N 3.04Å; P378-T382 VanDerWaalsContact O-N 3.14Å; P378-T382 PolarHBondContact O-OG1 2.82Å
379	L	98.3	Very high	98.8	Very high	12 Å²	12	2 Å²	2	6%	0.063	1%	0.01	C	C	.	.	H	α-helix	trans	-19.8	-76.2	-171.8	-55.2	177.5	0	0	0	114.9	V91 L92 E151 M153 H377 C381 T382	V91-L379 HydrophobicContact CB-CB 4.18Å; V91-L379 HydrophobicContact CB-CD1 4.16Å; V91-L379 HydrophobicContact CG1-CD1 4.16Å; V91-L379 HydrophobicContact CG2-CB 3.81Å; L92-L379 HydrophobicContact CD1-CD1 4.01Å; L92-L379 HydrophobicContact CD2-CD1 4.14Å; L92-L379 HydrophobicContact CG-CD1 3.98Å; E151-L379 HydrophobicContact CG-CB 4.17Å; M153-L379 HydrophobicContact CE-CD1 3.9Å; M153-L379 HydrophobicContact CE-CD2 4.4Å; M153-L379 HydrophobicContact CE-CG 3.95Å; M153-L379 HydrophobicContact SD-CG 4.07Å; H377-L379 VanDerWaalsContact C-N 3.28Å; H377-L379 PolarHBondContact O-N 3.15Å; L379-C381 VanDerWaalsContact C-N 3.29Å; L379-C381 PolarHBondContact O-N 2.92Å; L379-T382 PolarHBondContact O-N 3.41Å
380	G	98.5	Very high	98.8	Very high	0 Å²	0	1.5 Å²	1.5	0%	0	1%	0.008	C	C	.	.	H	α-helix	trans	-60.4	-30.9	-177	0	0	0	0	0	115.2	G89 G126 G149 E151 P378	G89-G380 CarbonylContact O-C 3.54Å; G126-G380 WeakPolarHBondContact CA-O 3.06Å; G126-G380 PolarHBondContact N-O 3.31Å; G149-G380 WeakPolarHBondContact CA-O 3.29Å; E151-G380 PolarHBondContact OE2-N 3.33Å; P378-G380 PolarHBondContact O-N 3.39Å; P378-G380 VanDerWaalsContact O-N 3.17Å
381	C	98.9	Very high	98.8	Very high	1 Å²	1	1.5 Å²	1.5	1%	0.007	1%	0.008	C	C	.	.	H	α-helix	trans	-73.7	-33.3	178.4	164.5	0	0	0	0	113.5	G149 G281 P378 L379 G383 A384 R385	G149-C381 VanDerWaalsContact C-CA 3.46Å; G149-C381 WeakPolarHBondContact O-CB 3.49Å; G281-C381 VanDerWaalsContact O-CB 3.29Å; G281-C381 WeakPolarHBondContact O-CB 3.46Å; P378-C381 HydrophobicContact CB-CB 4.02Å; P378-C381 HydrophobicContact CG-CB 3.81Å; P378-C381 WeakPolarHBondContact O-CA 3.39Å; P378-C381 WeakPolarHBondContact O-CB 3.42Å; P378-C381 PolarHBondContact O-N 3.05Å; L379-C381 VanDerWaalsContact C-N 3.29Å; L379-C381 PolarHBondContact O-N 2.92Å; C381-G383 PolarHBondContact O-N 3.25Å; C381-A384 PolarHBondContact O-N 2.89Å; C381-A384 VanDerWaalsContact O-N 3.08Å; C381-R385 PolarHBondContact O-N 3.42Å
382	T	98.9	Very high	98.8	Very high	0 Å²	0	2.1 Å²	2.1	0%	0	1%	0.011	C	C	.	.	H	α-helix	trans	-59	-40.8	-163.3	-66.8	0	0	0	0	114.3	N345 H377 P378 L379 A384 R385 Q386	N345-T382 HydrophobicContact CB-CG2 4.5Å; H377-T382 PolarHBondContact CE1-OG1 3.34Å; H377-T382 VanDerWaalsContact ND1-CB 3.33Å; H377-T382 WeakPolarHBondContact ND1-CB 3.37Å; H377-T382 WeakPolarHBondContact ND1-CG2 3.34Å; H377-T382 PolarHBondContact ND1-OG1 2.76Å; P378-T382 PolarHBondContact O-N 3.04Å; P378-T382 VanDerWaalsContact O-N 3.14Å; P378-T382 PolarHBondContact O-OG1 2.82Å; L379-T382 PolarHBondContact O-N 3.41Å; T382-A384 PolarHBondContact O-N 2.98Å; T382-R385 WeakPolarHBondContact O-CB 3.06Å; T382-R385 PolarHBondContact O-N 3.25Å; T382-Q386 HydrophobicContact CG2-CG 4.25Å; T382-Q386 WeakPolarHBondContact O-CG 3.45Å; T382-Q386 PolarHBondContact O-N 3.11Å
383	G	98.9	Very high	98.8	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-62.3	-41.9	178.9	0	0	0	0	0	113.4	C381 V387	C381-G383 PolarHBondContact O-N 3.25Å; G383-V387 WeakPolarHBondContact O-CG2 3.32Å; G383-V387 PolarHBondContact O-N 3.42Å
384	A	98.9	Very high	98.8	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-70.9	-41.9	175.3	0	0	0	0	0	111.1	A283 I285 C381 T382 Q386 V387 I388	A283-A384 HydrophobicContact CB-CB 3.8Å; I285-A384 HydrophobicContact CD1-CB 3.87Å; I285-A384 WeakPolarHBondContact CD1-O 3.32Å; C381-A384 PolarHBondContact O-N 2.89Å; C381-A384 VanDerWaalsContact O-N 3.08Å; T382-A384 PolarHBondContact O-N 2.98Å; A384-Q386 VanDerWaalsContact C-N 3.32Å; A384-Q386 PolarHBondContact O-N 3.36Å; A384-V387 PolarHBondContact O-N 2.93Å; A384-I388 WeakPolarHBondContact O-CG1 3.41Å; A384-I388 PolarHBondContact O-N 3.29Å
385	R	98.9	Very high	98.7	Very high	1 Å²	1	8.4 Å²	8.4	0%	0.004	4%	0.039	C	C	.	.	H	α-helix	trans	-53.3	-48	174.9	-170.8	-82.4	-62	157.4	-0.1	112.3	I48 A283 E343 C381 T382 V387 I388 T389	I48-R385 HydrophobicContact CD1-CG 4.18Å; A283-R385 HydrophobicContact CB-CB 4.31Å; E343-R385 IonicContact OE2-NH1 2.98Å; E343-R385 PolarHBondContact OE2-NH1 2.95Å; C381-R385 PolarHBondContact O-N 3.42Å; T382-R385 WeakPolarHBondContact O-CB 3.06Å; T382-R385 PolarHBondContact O-N 3.25Å; R385-V387 VanDerWaalsContact C-N 3.34Å; R385-V387 PolarHBondContact O-N 2.91Å; R385-I388 PolarHBondContact O-N 2.89Å; R385-T389 WeakPolarHBondContact CD-OG1 3.37Å; R385-T389 PolarHBondContact O-N 3.01Å; R385-T389 PolarHBondContact O-OG1 3.45Å
386	Q	98.9	Very high	98.7	Very high	1 Å²	1	13 Å²	13	1%	0.005	6%	0.056	C	C	.	.	H	α-helix	trans	-63.2	-36.8	-179	-74.2	-180	-74.7	0	0	112.8	E343 T382 A384 I388 T389 L390 V405 M407	E343-Q386 HydrophobicContact CB-CB 4.14Å; E343-Q386 HydrophobicContact CB-CG 4.37Å; E343-Q386 PolarHBondContact O-NE2 2.96Å; T382-Q386 HydrophobicContact CG2-CG 4.25Å; T382-Q386 WeakPolarHBondContact O-CG 3.45Å; T382-Q386 PolarHBondContact O-N 3.11Å; A384-Q386 VanDerWaalsContact C-N 3.32Å; A384-Q386 PolarHBondContact O-N 3.36Å; Q386-I388 VanDerWaalsContact C-N 3.32Å; Q386-I388 PolarHBondContact O-N 3.32Å; Q386-T389 PolarHBondContact O-N 3.39Å; Q386-L390 WeakPolarHBondContact O-CB 3.48Å; Q386-L390 PolarHBondContact O-N 3.33Å; Q386-V405 HydrophobicContact CB-CG1 3.55Å; Q386-V405 HydrophobicContact CB-CG2 4.19Å; Q386-V405 HydrophobicContact CG-CG1 4.44Å; Q386-M407 VanDerWaalsContact OE1-CE 3.24Å
387	V	98.9	Very high	98.6	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.006	7%	0.074	C	C	.	.	H	α-helix	trans	-61	-44.9	175	175.9	0	0	0	0	110.4	L127 I285 G383 A384 R385 L390 L391 V405 F419	L127-V387 HydrophobicContact CD1-CG2 3.72Å; I285-V387 HydrophobicContact CD1-CB 3.65Å; I285-V387 HydrophobicContact CD1-CG1 3.81Å; I285-V387 HydrophobicContact CD1-CG2 4.18Å; G383-V387 WeakPolarHBondContact O-CG2 3.32Å; G383-V387 PolarHBondContact O-N 3.42Å; A384-V387 PolarHBondContact O-N 2.93Å; R385-V387 VanDerWaalsContact C-N 3.34Å; R385-V387 PolarHBondContact O-N 2.91Å; V387-L390 PolarHBondContact O-N 3.3Å; V387-L391 HydrophobicContact CG1-CD1 3.85Å; V387-L391 HydrophobicContact CG1-CG 4.36Å; V387-L391 WeakPolarHBondContact O-CB 3.42Å; V387-L391 WeakPolarHBondContact O-CG 3.36Å; V387-L391 PolarHBondContact O-N 3.39Å; V387-V405 HydrophobicContact CG2-CG2 3.95Å; V387-F419 HydrophobicContact CB-CZ 4.32Å; V387-F419 HydrophobicContact CG1-CD1 4.49Å; V387-F419 HydrophobicContact CG1-CE1 3.9Å; V387-F419 HydrophobicContact CG1-CE2 4.22Å; V387-F419 HydrophobicContact CG1-CZ 3.75Å; V387-F419 HydrophobicContact CG2-CE2 3.7Å; V387-F419 HydrophobicContact CG2-CZ 3.57Å
388	I	98.9	Very high	98.5	Very high	3 Å²	3	18.7 Å²	18.7	2%	0.015	9%	0.085	C	C	.	.	H	α-helix	trans	-64.4	-48.6	-179.7	-60.2	166.5	0	0	0	110.5	R44 R45 E222 A283 I285 A384 R385 Q386 L390 L391 N392	R44-I388 VanDerWaalsContact O-CD1 3.27Å; R44-I388 WeakPolarHBondContact O-CD1 3.41Å; R45-I388 HydrophobicContact CB-CD1 4.24Å; E222-I388 HydrophobicContact CB-CG2 3.48Å; E222-I388 VanDerWaalsContact CB-CG2 3.48Å; A283-I388 HydrophobicContact CB-CD1 3.88Å; I285-I388 HydrophobicContact CD1-CG1 4.29Å; I285-I388 HydrophobicContact CG1-CD1 4.03Å; I285-I388 HydrophobicContact CG1-CG1 3.79Å; A384-I388 WeakPolarHBondContact O-CG1 3.41Å; A384-I388 PolarHBondContact O-N 3.29Å; R385-I388 PolarHBondContact O-N 2.89Å; Q386-I388 VanDerWaalsContact C-N 3.32Å; Q386-I388 PolarHBondContact O-N 3.32Å; I388-L390 PolarHBondContact O-N 3.11Å; I388-L391 PolarHBondContact O-N 3.08Å; I388-N392 WeakPolarHBondContact CG2-ND2 3.1Å; I388-N392 WeakPolarHBondContact O-CB 3.18Å; I388-N392 PolarHBondContact O-N 3.05Å; I388-N392 PolarHBondContact O-ND2 2.65Å
389	T	98.9	Very high	98.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-61.1	-44	178.7	-57.1	0	0	0	0	111.5	F219 E222 L369 R385 Q386 E393	F219-T389 HydrophobicContact CE1-CG2 4.44Å; E222-T389 PolarHBondContact OE1-OG1 2.84Å; E222-T389 WeakPolarHBondContact OE2-CA 3.25Å; L369-T389 HydrophobicContact CD1-CG2 3.9Å; R385-T389 WeakPolarHBondContact CD-OG1 3.37Å; R385-T389 PolarHBondContact O-N 3.01Å; R385-T389 PolarHBondContact O-OG1 3.45Å; Q386-T389 PolarHBondContact O-N 3.39Å; T389-E393 WeakPolarHBondContact O-CB 3.45Å; T389-E393 PolarHBondContact O-N 2.91Å; T389-E393 VanDerWaalsContact O-N 3.11Å
390	L	98.9	Very high	98.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-58.4	-55.5	176.6	174.7	64.8	0	0	0	111.4	I341 E343 Q386 V387 I388 N392 E393 L394 V405 F419	I341-L390 HydrophobicContact CB-CD1 3.62Å; I341-L390 HydrophobicContact CG2-CD1 3.49Å; I341-L390 VanDerWaalsContact CG2-CD1 3.49Å; E343-L390 HydrophobicContact CG-CB 3.95Å; E343-L390 HydrophobicContact CG-CD1 4.41Å; Q386-L390 WeakPolarHBondContact O-CB 3.48Å; Q386-L390 PolarHBondContact O-N 3.33Å; V387-L390 PolarHBondContact O-N 3.3Å; I388-L390 PolarHBondContact O-N 3.11Å; L390-N392 PolarHBondContact O-N 2.78Å; L390-E393 PolarHBondContact O-N 3.01Å; L390-L394 HydrophobicContact CD1-CD1 4.12Å; L390-L394 HydrophobicContact CD1-CG 4.25Å; L390-L394 HydrophobicContact CG-CD1 4.15Å; L390-L394 WeakPolarHBondContact O-CG 3.39Å; L390-L394 PolarHBondContact O-N 3.34Å; L390-V405 HydrophobicContact CB-CG2 4.33Å; L390-V405 HydrophobicContact CD2-CG2 3.62Å; L390-F419 HydrophobicContact CD2-CB 4.38Å; L390-F419 HydrophobicContact CD2-CD2 4.04Å
391	L	98.8	Very high	98.3	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-68.9	-35.2	-173.4	-68.6	178.5	0	0	0	112.3	V40 L301 V387 I388 E393 L394 K395 F419	V40-L391 HydrophobicContact CB-CD1 3.83Å; V40-L391 HydrophobicContact CG1-CD1 3.67Å; V40-L391 HydrophobicContact CG2-CD1 4.02Å; L301-L391 HydrophobicContact CD1-CB 4.2Å; L301-L391 HydrophobicContact CD2-CB 4.04Å; L301-L391 HydrophobicContact CD2-CD1 4.29Å; L301-L391 HydrophobicContact CG-CB 3.83Å; L301-L391 HydrophobicContact CG-CD1 4.13Å; V387-L391 HydrophobicContact CG1-CD1 3.85Å; V387-L391 HydrophobicContact CG1-CG 4.36Å; V387-L391 WeakPolarHBondContact O-CB 3.42Å; V387-L391 WeakPolarHBondContact O-CG 3.36Å; V387-L391 PolarHBondContact O-N 3.39Å; I388-L391 PolarHBondContact O-N 3.08Å; L391-E393 VanDerWaalsContact C-N 3.32Å; L391-E393 PolarHBondContact O-N 3.07Å; L391-L394 PolarHBondContact O-N 3Å; L391-K395 VanDerWaalsContact O-CB 3.24Å; L391-K395 WeakPolarHBondContact O-CB 3.39Å; L391-K395 PolarHBondContact O-N 3.02Å; L391-F419 HydrophobicContact CD2-CB 3.97Å; L391-F419 HydrophobicContact CD2-CG 4.48Å
392	N	98.7	Very high	98.3	Very high	13 Å²	13	31.4 Å²	31.4	7%	0.07	14%	0.138	C	C	.	.	H	α-helix	trans	-65.8	-35.9	173.6	-84.3	-83.2	0	0	0	112.1	I388 L390 R396	I388-N392 WeakPolarHBondContact CG2-ND2 3.1Å; I388-N392 WeakPolarHBondContact O-CB 3.18Å; I388-N392 PolarHBondContact O-N 3.05Å; I388-N392 PolarHBondContact O-ND2 2.65Å; L390-N392 PolarHBondContact O-N 2.78Å; N392-R396 WeakPolarHBondContact O-CG 3.28Å; N392-R396 PolarHBondContact O-N 3.5Å
393	E	98.7	Very high	98.3	Very high	24 Å²	24	31.4 Å²	31.4	11%	0.112	14%	0.138	C	C	.	.	H	α-helix	trans	-70.1	-43.9	174.6	179.9	57	-167	0	0	112.6	I341 P368 L369 T389 L390 L391 K395 R396 R397	I341-E393 HydrophobicContact CD1-CB 4Å; I341-E393 HydrophobicContact CD1-CG 3.31Å; P368-E393 HydrophobicContact CG-CG 4.26Å; L369-E393 HydrophobicContact CD1-CB 4.12Å; L369-E393 HydrophobicContact CD1-CG 4.41Å; T389-E393 WeakPolarHBondContact O-CB 3.45Å; T389-E393 PolarHBondContact O-N 2.91Å; T389-E393 VanDerWaalsContact O-N 3.11Å; L390-E393 PolarHBondContact O-N 3.01Å; L391-E393 VanDerWaalsContact C-N 3.32Å; L391-E393 PolarHBondContact O-N 3.07Å; E393-K395 VanDerWaalsContact C-N 3.3Å; E393-K395 PolarHBondContact O-N 3.43Å; E393-R396 PolarHBondContact O-N 3.42Å; E393-R396 IonicContact OE2-CZ 3.13Å; E393-R396 VanDerWaalsContact OE2-CZ 3.25Å; E393-R396 IonicContact OE2-NE 3.45Å; E393-R396 PolarHBondContact OE2-NE 2.99Å; E393-R396 IonicContact OE2-NH2 2.74Å; E393-R396 PolarHBondContact OE2-NH2 3.32Å; E393-R397 WeakPolarHBondContact O-CG 3.43Å; E393-R397 PolarHBondContact O-N 3.02Å; E393-R397 IonicContact OE1-CZ 3.39Å; E393-R397 IonicContact OE1-NE 3.01Å; E393-R397 PolarHBondContact OE1-NE 3.23Å; E393-R397 IonicContact OE1-NH2 2.68Å; E393-R397 PolarHBondContact OE1-NH2 3.06Å; E393-R397 VanDerWaalsContact OE1-NH2 3.16Å
394	L	98.5	Very high	98.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.8	-41.9	174.1	-66.6	178.3	0	0	0	111.2	D340 I341 L390 L391 R396 R397 G398 A401 Y421	D340-L394 HydrophobicContact CB-CD2 4.18Å; I341-L394 HydrophobicContact CB-CD2 4.26Å; I341-L394 HydrophobicContact CD1-CD2 3.47Å; I341-L394 VanDerWaalsContact CD1-CD2 3.47Å; I341-L394 HydrophobicContact CD1-CG 4.05Å; I341-L394 HydrophobicContact CG1-CD2 3.76Å; L390-L394 HydrophobicContact CD1-CD1 4.12Å; L390-L394 HydrophobicContact CD1-CG 4.25Å; L390-L394 HydrophobicContact CG-CD1 4.15Å; L390-L394 WeakPolarHBondContact O-CG 3.39Å; L390-L394 PolarHBondContact O-N 3.34Å; L391-L394 PolarHBondContact O-N 3Å; L394-R396 PolarHBondContact O-N 2.92Å; L394-R397 PolarHBondContact O-N 3.01Å; L394-R397 VanDerWaalsContact O-N 3.13Å; L394-G398 PolarHBondContact O-N 3.36Å; L394-G398 VanDerWaalsContact O-N 3.08Å; L394-A401 HydrophobicContact CD2-CB 3.81Å; L394-Y421 HydrophobicContact CB-CD1 4.34Å; L394-Y421 HydrophobicContact CB-CG 4.03Å
395	K	98.3	Very high	98.3	Very high	111 Å²	111	31.5 Å²	31.5	48%	0.483	14%	0.139	S	C	.	.	H	α-helix	trans	-58.4	-45.3	173.5	-178.6	175.5	179.3	177.5	0	112.3	L301 L391 E393 R397 G398 Y421	L301-K395 HydrophobicContact CD1-CB 4.18Å; L301-K395 HydrophobicContact CD1-CD 3.7Å; L391-K395 VanDerWaalsContact O-CB 3.24Å; L391-K395 WeakPolarHBondContact O-CB 3.39Å; L391-K395 PolarHBondContact O-N 3.02Å; E393-K395 VanDerWaalsContact C-N 3.3Å; E393-K395 PolarHBondContact O-N 3.43Å; K395-R397 VanDerWaalsContact C-N 3.27Å; K395-R397 PolarHBondContact O-N 2.88Å; K395-G398 WeakPolarHBondContact O-CA 3.28Å; K395-G398 PolarHBondContact O-N 3.3Å; K395-Y421 HydrophobicContact CB-CD2 4.35Å; K395-Y421 HydrophobicContact CB-CE2 3.81Å; K395-Y421 HydrophobicContact CG-CE2 4.05Å
396	R	97.8	Very high	98.3	Very high	97 Å²	97	31.4 Å²	31.4	37%	0.366	14%	0.138	S	C	.	.	H	α-helix	trans	-61.7	-33.6	175.4	-79.3	-172	-62.8	-90.4	2.9	113.2	C218 N392 E393 L394 G398	C218-R396 PolarHBondContact O-NH1 3.14Å; N392-R396 WeakPolarHBondContact O-CG 3.28Å; N392-R396 PolarHBondContact O-N 3.5Å; E393-R396 PolarHBondContact O-N 3.42Å; E393-R396 IonicContact OE2-CZ 3.13Å; E393-R396 VanDerWaalsContact OE2-CZ 3.25Å; E393-R396 IonicContact OE2-NE 3.45Å; E393-R396 PolarHBondContact OE2-NE 2.99Å; E393-R396 IonicContact OE2-NH2 2.74Å; E393-R396 PolarHBondContact OE2-NH2 3.32Å; L394-R396 PolarHBondContact O-N 2.92Å; R396-G398 VanDerWaalsContact C-N 3.28Å
397	R	97.3	Very high	98.3	Very high	101 Å²	101	31.4 Å²	31.4	38%	0.381	14%	0.138	S	C	.	.	H	α-helix	trans	-73.5	-21	175.2	-66.9	179.5	-173.5	-163.7	3.8	112.8	I341 E393 L394 K395 K399	I341-R397 VanDerWaalsContact CD1-CZ 3.43Å; E393-R397 WeakPolarHBondContact O-CG 3.43Å; E393-R397 PolarHBondContact O-N 3.02Å; E393-R397 IonicContact OE1-CZ 3.39Å; E393-R397 IonicContact OE1-NE 3.01Å; E393-R397 PolarHBondContact OE1-NE 3.23Å; E393-R397 IonicContact OE1-NH2 2.68Å; E393-R397 PolarHBondContact OE1-NH2 3.06Å; E393-R397 VanDerWaalsContact OE1-NH2 3.16Å; L394-R397 PolarHBondContact O-N 3.01Å; L394-R397 VanDerWaalsContact O-N 3.13Å; K395-R397 VanDerWaalsContact C-N 3.27Å; K395-R397 PolarHBondContact O-N 2.88Å; R397-K399 VanDerWaalsContact C-N 3.26Å; R397-K399 PolarHBondContact O-N 2.68Å
398	G	96.6	Very high	98.3	Very high	26 Å²	26	31.3 Å²	31.3	27%	0.268	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	10.6	163.6	0	0	0	0	0	115.9	L394 K395 R396	L394-G398 PolarHBondContact O-N 3.36Å; L394-G398 VanDerWaalsContact O-N 3.08Å; K395-G398 WeakPolarHBondContact O-CA 3.28Å; K395-G398 PolarHBondContact O-N 3.3Å; R396-G398 VanDerWaalsContact C-N 3.28Å
399	K	95.7	Very high	98.3	Very high	162 Å²	162	31.2 Å²	31.2	70%	0.704	14%	0.137	S	C	*	.	S	Bend	trans	-121.5	147.3	179.1	-63.5	-175.5	-178.2	-178	0	110.2	R397 A401 Y421	R397-K399 VanDerWaalsContact C-N 3.26Å; R397-K399 PolarHBondContact O-N 2.68Å; K399-A401 WeakPolarHBondContact O-CB 3.32Å; K399-A401 PolarHBondContact O-N 2.73Å; K399-Y421 VanDerWaalsContact O-CD1 3.28Å; K399-Y421 WeakPolarHBondContact O-CD1 3.37Å
400	R	97.1	Very high	98.1	Very high	90 Å²	90	31.4 Å²	31.4	34%	0.34	14%	0.139	S	C	.	.			trans	-51.8	125.7	170.9	-173.4	-178.6	179	-105.5	-2.6	109.6	G29 Y402 E420 Y421 P422	G29-R400 PolarHBondContact O-NH1 2.66Å; G29-R400 PolarHBondContact O-NH2 3.4Å; R400-Y402 PolarHBondContact NH2-OH 3.48Å; R400-E420 IonicContact CZ-OE1 3.47Å; R400-E420 IonicContact NE-OE1 2.8Å; R400-E420 PolarHBondContact NE-OE1 3.48Å; R400-E420 IonicContact NH2-OE1 3.83Å; R400-E420 PolarHBondContact NH2-OE1 3.34Å; R400-E420 IonicContact NH2-OE2 2.79Å; R400-E420 PolarHBondContact NH2-OE2 3.48Å; R400-Y421 VanDerWaalsContact CA-O 3.28Å; R400-Y421 WeakPolarHBondContact CA-O 3.41Å; R400-Y421 WeakPolarHBondContact CG-O 3.27Å; R400-P422 WeakPolarHBondContact CB-O 3.43Å
401	A	98	Very high	98.1	Very high	7 Å²	7	34.1 Å²	34.1	6%	0.058	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	153.4	-169.9	0	0	0	0	0	111.2	D340 L394 K399 E420 Y421	D340-A401 HydrophobicContact CB-CB 4.03Å; D340-A401 WeakPolarHBondContact OD2-CA 3.32Å; D340-A401 VanDerWaalsContact OD2-CB 3.31Å; D340-A401 WeakPolarHBondContact OD2-CB 3.16Å; L394-A401 HydrophobicContact CD2-CB 3.81Å; K399-A401 WeakPolarHBondContact O-CB 3.32Å; K399-A401 PolarHBondContact O-N 2.73Å; A401-E420 WeakPolarHBondContact O-CA 3.18Å; A401-Y421 PolarHBondContact N-O 3.19Å; A401-Y421 VanDerWaalsContact N-O 3.15Å; A401-Y421 PolarHBondContact O-N 3.04Å
402	Y	98.6	Very high	98	Very high	22 Å²	22	34.2 Å²	34.2	9%	0.086	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	142.8	173	-64.3	-76.3	0	0	0	111.1	G29 L334 D340 R400 V418 F419 E420	G29-Y402 WeakPolarHBondContact CA-OH 3.42Å; G29-Y402 PolarHBondContact O-OH 3.03Å; L334-Y402 HydrophobicContact CD1-CD1 3.63Å; L334-Y402 HydrophobicContact CD1-CD2 3.92Å; L334-Y402 HydrophobicContact CD1-CE1 3.96Å; L334-Y402 HydrophobicContact CD1-CE2 4.22Å; L334-Y402 HydrophobicContact CD1-CG 3.6Å; L334-Y402 HydrophobicContact CD2-CD2 4.11Å; L334-Y402 HydrophobicContact CD2-CE2 3.78Å; D340-Y402 PolarHBondContact N-O 3.08Å; D340-Y402 PolarHBondContact OD2-N 2.99Å; R400-Y402 PolarHBondContact NH2-OH 3.48Å; Y402-V418 HydrophobicContact CD1-CG1 4.3Å; Y402-F419 CarbonylContact C-O 3.59Å; Y402-F419 WeakPolarHBondContact CA-O 3.41Å; Y402-E420 HydrophobicContact CD1-CB 3.86Å; Y402-E420 HydrophobicContact CD1-CG 4.16Å; Y402-E420 HydrophobicContact CE1-CB 3.78Å; Y402-E420 HydrophobicContact CE1-CG 3.84Å
403	G	98.8	Very high	98	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	148.6	177.3	0	0	0	0	0	111.9	I341 V418 F419	I341-G403 CarbonylContact O-C 2.89Å; I341-G403 VanDerWaalsContact O-CA 3.28Å; I341-G403 WeakPolarHBondContact O-CA 3.5Å; G403-V418 WeakPolarHBondContact O-CA 3.27Å; G403-F419 PolarHBondContact N-O 2.91Å; G403-F419 PolarHBondContact O-N 3.46Å
404	V	98.9	Very high	98	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.006	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	128.5	176.4	172.9	0	0	0	0	110	I325 L329 V339 I341 F342 E343 A417 V418	I325-V404 HydrophobicContact CD1-CG1 4.36Å; I325-V404 HydrophobicContact CG1-CG1 4Å; I325-V404 HydrophobicContact CG2-CG1 4.43Å; L329-V404 HydrophobicContact CD2-CG2 3.94Å; V339-V404 HydrophobicContact CG1-CB 4.39Å; V339-V404 HydrophobicContact CG1-CG2 3.88Å; V339-V404 HydrophobicContact CG2-CG2 3.96Å; I341-V404 PolarHBondContact O-N 2.74Å; F342-V404 CarbonylContact C-O 3.57Å; F342-V404 WeakPolarHBondContact CA-O 3.47Å; F342-V404 HydrophobicContact CD1-CB 3.66Å; F342-V404 HydrophobicContact CD1-CG1 4.07Å; F342-V404 HydrophobicContact CD1-CG2 4.07Å; F342-V404 HydrophobicContact CE1-CB 4.07Å; F342-V404 HydrophobicContact CE1-CG2 3.94Å; F342-V404 HydrophobicContact CG-CB 4.49Å; E343-V404 PolarHBondContact N-O 3.23Å; V404-A417 VanDerWaalsContact CA-O 3.31Å; V404-A417 WeakPolarHBondContact CA-O 3.09Å; V404-V418 HydrophobicContact CG2-CG2 4.19Å
405	V	99	Very high	98.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	132.4	162.5	178.2	0	0	0	0	108.1	L127 E343 Q386 V387 L390 M407 A416 A417 F419	L127-V405 HydrophobicContact CD1-CB 4.43Å; L127-V405 HydrophobicContact CD1-CG1 4.24Å; L127-V405 HydrophobicContact CD2-CB 4.45Å; L127-V405 HydrophobicContact CD2-CG1 4.03Å; E343-V405 HydrophobicContact CB-CG2 4.36Å; E343-V405 CarbonylContact O-C 3.56Å; E343-V405 WeakPolarHBondContact O-CA 3.35Å; Q386-V405 HydrophobicContact CB-CG1 3.55Å; Q386-V405 HydrophobicContact CB-CG2 4.19Å; Q386-V405 HydrophobicContact CG-CG1 4.44Å; V387-V405 HydrophobicContact CG2-CG2 3.95Å; L390-V405 HydrophobicContact CB-CG2 4.33Å; L390-V405 HydrophobicContact CD2-CG2 3.62Å; V405-M407 HydrophobicContact CG1-CE 3.95Å; V405-A416 CarbonylContact O-C 3.56Å; V405-A416 WeakPolarHBondContact O-CA 3.36Å; V405-A417 PolarHBondContact N-O 3.04Å; V405-A417 PolarHBondContact O-N 3.43Å; V405-F419 HydrophobicContact CB-CE2 4.41Å; V405-F419 HydrophobicContact CG2-CD2 4.26Å; V405-F419 HydrophobicContact CG2-CE2 4.02Å
406	S	98.9	Very high	98.1	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	150.8	178.1	-173.9	0	0	0	0	113.1	P321 I325 E343 I344 N345 A415	P321-S406 WeakPolarHBondContact CB-OG 3.5Å; I325-S406 WeakPolarHBondContact CG1-OG 3.26Å; E343-S406 PolarHBondContact O-N 3.21Å; I344-S406 CarbonylContact C-O 3.55Å; I344-S406 WeakPolarHBondContact CA-O 3.44Å; N345-S406 PolarHBondContact N-O 3.43Å; S406-A415 VanDerWaalsContact CA-O 3.24Å; S406-A415 WeakPolarHBondContact CA-O 3.21Å; S406-A415 PolarHBondContact OG-O 2.74Å
407	M	98.9	Very high	98.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	152	175.5	64.7	-74.8	-60.9	0	0	112.6	S124 L127 N345 Q386 V405 I409 G414 A415	S124-M407 VanDerWaalsContact CB-SD 3.52Å; L127-M407 HydrophobicContact CB-CE 4.01Å; L127-M407 HydrophobicContact CB-SD 4.31Å; L127-M407 HydrophobicContact CD2-CE 3.87Å; L127-M407 HydrophobicContact CD2-SD 3.75Å; N345-M407 HydrophobicContact CB-CB 3.55Å; Q386-M407 VanDerWaalsContact OE1-CE 3.24Å; V405-M407 HydrophobicContact CG1-CE 3.95Å; M407-I409 HydrophobicContact CG-CG1 4.31Å; M407-G414 WeakPolarHBondContact O-CA 3.38Å; M407-A415 PolarHBondContact N-O 2.76Å; M407-A415 PolarHBondContact O-N 3.2Å; M407-A415 VanDerWaalsContact O-N 3.12Å; M407-A415 HydrophobicContact SD-CB 3.99Å
408	C	98.5	Very high	98.2	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	159	159.3	60.9	0	0	0	0	109.7	C123 M317 P321	C123-C408 WeakPolarHBondContact CB-O 3.35Å; M317-C408 WeakPolarHBondContact O-CB 3.42Å; M317-C408 HydrophobicContact SD-CB 3.9Å; P321-C408 HydrophobicContact CG-CB 4.43Å
409	I	98.6	Very high	98.3	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	125	-172.8	-56.3	174.9	0	0	0	106.9	R121 Q122 S124 M317 M407 G412 M413 A415	R121-I409 HydrophobicContact CG-CD1 4.34Å; R121-I409 HydrophobicContact CG-CG2 4.35Å; R121-I409 WeakPolarHBondContact O-CG2 3.26Å; Q122-I409 HydrophobicContact CB-CG2 3.69Å; Q122-I409 HydrophobicContact CG-CG2 4.23Å; S124-I409 VanDerWaalsContact OG-CD1 3.23Å; S124-I409 WeakPolarHBondContact OG-CD1 3.45Å; M317-I409 WeakPolarHBondContact CB-O 3.38Å; M407-I409 HydrophobicContact CG-CG1 4.31Å; I409-G412 PolarHBondContact O-N 3.36Å; I409-M413 HydrophobicContact CB-CB 3.75Å; I409-M413 WeakPolarHBondContact CB-O 3.12Å; I409-M413 HydrophobicContact CD1-CB 3.83Å; I409-M413 HydrophobicContact CG1-CB 4.29Å; I409-M413 HydrophobicContact CG2-CB 4.03Å; I409-M413 HydrophobicContact CG2-CE 3.87Å; I409-M413 PolarHBondContact N-O 2.86Å; I409-M413 PolarHBondContact O-N 2.92Å; I409-M413 VanDerWaalsContact O-N 3.15Å; I409-A415 HydrophobicContact CD1-CB 3.74Å
410	G	96.2	Very high	98.5	Very high	4 Å²	4	11.2 Å²	11.2	4%	0.041	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.9	152.7	172.3	0	0	0	0	0	111.6	G412	G410-G412 PolarHBondContact O-N 3.1Å
411	T	97.1	Very high	98.5	Very high	57 Å²	57	7.2 Å²	7.2	35%	0.35	4%	0.041	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	13.7	-171.9	85.5	0	0	0	0	115.7	C177	C177-T411 HydrophobicContact CB-CG2 4.22Å
412	G	98.4	Very high	98.3	Very high	4 Å²	4	9.4 Å²	9.4	4%	0.041	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	91	58.5	166.7	0	0	0	0	0	114.8	V312 I409 G410	V312-G412 PolarHBondContact N-O 3.43Å; V312-G412 CarbonylContact O-C 3.59Å; V312-G412 VanDerWaalsContact O-CA 3.3Å; V312-G412 WeakPolarHBondContact O-CA 3.49Å; I409-G412 PolarHBondContact O-N 3.36Å; G410-G412 PolarHBondContact O-N 3.1Å
413	M	98.9	Very high	97.7	Very high	39 Å²	39	9.2 Å²	9.2	19%	0.192	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	168.9	170.4	-68.7	169.6	-82.9	0	0	111.7	R121 V310 I409	R121-M413 HydrophobicContact CG-CE 4.43Å; R121-M413 HydrophobicContact CG-SD 4.39Å; V310-M413 CarbonylContact O-C 3.39Å; V310-M413 WeakPolarHBondContact O-CA 3.26Å; V310-M413 VanDerWaalsContact O-CB 3.28Å; V310-M413 WeakPolarHBondContact O-CB 3.43Å; I409-M413 HydrophobicContact CB-CB 3.75Å; I409-M413 WeakPolarHBondContact CB-O 3.12Å; I409-M413 HydrophobicContact CD1-CB 3.83Å; I409-M413 HydrophobicContact CG1-CB 4.29Å; I409-M413 HydrophobicContact CG2-CB 4.03Å; I409-M413 HydrophobicContact CG2-CE 3.87Å; I409-M413 PolarHBondContact N-O 2.86Å; I409-M413 PolarHBondContact O-N 2.92Å; I409-M413 VanDerWaalsContact O-N 3.15Å
414	G	98.9	Very high	96.3	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	147.4	163.9	0	0	0	0	0	110.5	V309 V310 M407	V309-G414 CarbonylContact C-O 3.49Å; V309-G414 WeakPolarHBondContact CA-O 3.16Å; V310-G414 PolarHBondContact N-O 3.37Å; V310-G414 PolarHBondContact O-N 3.43Å; M407-G414 WeakPolarHBondContact O-CA 3.38Å
415	A	98.9	Very high	96.2	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	145	170.6	0	0	0	0	0	110.6	Y307 A308 V309 S406 M407 I409	Y307-A415 HydrophobicContact CE2-CB 4.06Å; A308-A415 CarbonylContact O-C 3.6Å; A308-A415 VanDerWaalsContact O-CA 3.25Å; A308-A415 WeakPolarHBondContact O-CA 3.36Å; V309-A415 HydrophobicContact CG2-CB 4.13Å; S406-A415 VanDerWaalsContact CA-O 3.24Å; S406-A415 WeakPolarHBondContact CA-O 3.21Å; S406-A415 PolarHBondContact OG-O 2.74Å; M407-A415 PolarHBondContact N-O 2.76Å; M407-A415 PolarHBondContact O-N 3.2Å; M407-A415 VanDerWaalsContact O-N 3.12Å; M407-A415 HydrophobicContact SD-CB 3.99Å; I409-A415 HydrophobicContact CD1-CB 3.74Å
416	A	98.9	Very high	96.1	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	142.2	174.5	0	0	0	0	0	111	Y307 A308 A324 I325 A328 V405	Y307-A416 CarbonylContact C-O 3.6Å; Y307-A416 WeakPolarHBondContact CA-O 3.35Å; Y307-A416 WeakPolarHBondContact CD2-O 3.22Å; A308-A416 PolarHBondContact N-O 3.42Å; A308-A416 PolarHBondContact O-N 2.74Å; A324-A416 HydrophobicContact CB-CB 3.82Å; I325-A416 HydrophobicContact CG1-CB 3.95Å; A328-A416 HydrophobicContact CB-CB 3.75Å; V405-A416 CarbonylContact O-C 3.56Å; V405-A416 WeakPolarHBondContact O-CA 3.36Å
417	A	98.9	Very high	95.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	139	174.3	0	0	0	0	0	110.5	L127 L304 S306 Y307 V404 V405 F419	L127-A417 HydrophobicContact CD1-CB 3.86Å; L127-A417 HydrophobicContact CD2-CB 4.06Å; L127-A417 HydrophobicContact CG-CB 4.35Å; L304-A417 HydrophobicContact CD1-CB 4.17Å; S306-A417 CarbonylContact O-C 3.56Å; S306-A417 VanDerWaalsContact O-CA 3.25Å; S306-A417 WeakPolarHBondContact O-CA 3.47Å; Y307-A417 HydrophobicContact CD2-CB 4.02Å; V404-A417 VanDerWaalsContact CA-O 3.31Å; V404-A417 WeakPolarHBondContact CA-O 3.09Å; V405-A417 PolarHBondContact N-O 3.04Å; V405-A417 PolarHBondContact O-N 3.43Å; A417-F419 HydrophobicContact CB-CD2 4.28Å; A417-F419 HydrophobicContact CB-CE2 3.55Å; A417-F419 HydrophobicContact CB-CZ 4.14Å
418	V	98.9	Very high	95.7	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	128.2	172.6	179.5	0	0	0	0	108.8	R305 S306 A328 L329 A332 L334 Y402 G403 V404	R305-V418 HydrophobicContact CB-CB 4.34Å; R305-V418 HydrophobicContact CB-CG1 4.14Å; R305-V418 PolarHBondContact N-O 3.37Å; S306-V418 PolarHBondContact N-O 3.22Å; S306-V418 PolarHBondContact O-N 3.33Å; S306-V418 WeakPolarHBondContact OG-CB 3.34Å; S306-V418 VanDerWaalsContact OG-CG2 3.22Å; S306-V418 WeakPolarHBondContact OG-CG2 3.14Å; A328-V418 HydrophobicContact CB-CG2 4.12Å; L329-V418 HydrophobicContact CD2-CG2 3.99Å; A332-V418 HydrophobicContact CB-CB 4.09Å; A332-V418 HydrophobicContact CB-CG1 3.99Å; A332-V418 HydrophobicContact CB-CG2 4.04Å; L334-V418 HydrophobicContact CD1-CG1 3.83Å; Y402-V418 HydrophobicContact CD1-CG1 4.3Å; G403-V418 WeakPolarHBondContact O-CA 3.27Å; V404-V418 HydrophobicContact CG2-CG2 4.19Å
419	F	98.8	Very high	95.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	147.9	172.6	-64.7	-90.8	0	0	0	110.7	V40 L127 V130 V303 L304 V387 L390 L391 Y402 G403 V405 A417	V40-F419 HydrophobicContact CG2-CD1 4.27Å; V40-F419 HydrophobicContact CG2-CE1 3.98Å; L127-F419 HydrophobicContact CD1-CE2 4.41Å; L127-F419 HydrophobicContact CD1-CZ 4.43Å; V130-F419 HydrophobicContact CG1-CZ 4.27Å; V303-F419 CarbonylContact O-C 3.46Å; V303-F419 VanDerWaalsContact O-CA 3.26Å; V303-F419 WeakPolarHBondContact O-CA 3.27Å; L304-F419 HydrophobicContact CB-CD1 4.29Å; L304-F419 HydrophobicContact CB-CE1 4.04Å; L304-F419 HydrophobicContact CD1-CD1 4.21Å; L304-F419 HydrophobicContact CD1-CE1 3.7Å; L304-F419 HydrophobicContact CD1-CE2 4.33Å; L304-F419 HydrophobicContact CD1-CZ 3.76Å; L304-F419 HydrophobicContact CG-CE1 4.43Å; V387-F419 HydrophobicContact CB-CZ 4.32Å; V387-F419 HydrophobicContact CG1-CD1 4.49Å; V387-F419 HydrophobicContact CG1-CE1 3.9Å; V387-F419 HydrophobicContact CG1-CE2 4.22Å; V387-F419 HydrophobicContact CG1-CZ 3.75Å; V387-F419 HydrophobicContact CG2-CE2 3.7Å; V387-F419 HydrophobicContact CG2-CZ 3.57Å; L390-F419 HydrophobicContact CD2-CB 4.38Å; L390-F419 HydrophobicContact CD2-CD2 4.04Å; L391-F419 HydrophobicContact CD2-CB 3.97Å; L391-F419 HydrophobicContact CD2-CG 4.48Å; Y402-F419 CarbonylContact C-O 3.59Å; Y402-F419 WeakPolarHBondContact CA-O 3.41Å; G403-F419 PolarHBondContact N-O 2.91Å; G403-F419 PolarHBondContact O-N 3.46Å; V405-F419 HydrophobicContact CB-CE2 4.41Å; V405-F419 HydrophobicContact CG2-CD2 4.26Å; V405-F419 HydrophobicContact CG2-CE2 4.02Å; A417-F419 HydrophobicContact CB-CD2 4.28Å; A417-F419 HydrophobicContact CB-CE2 3.55Å; A417-F419 HydrophobicContact CB-CZ 4.14Å
420	E	98.7	Very high	95.4	Very high	11 Å²	11	25.9 Å²	25.9	5%	0.051	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	129	169.4	-179.3	-177.3	163.1	0	0	109.4	G302 V303 R305 R400 A401 Y402	G302-E420 CarbonylContact C-O 3.52Å; G302-E420 WeakPolarHBondContact CA-O 3.47Å; V303-E420 HydrophobicContact CB-CB 4.37Å; V303-E420 PolarHBondContact N-O 3.2Å; V303-E420 PolarHBondContact O-N 3.22Å; R305-E420 HydrophobicContact CG-CB 4.05Å; R305-E420 IonicContact CZ-OE2 2.92Å; R305-E420 IonicContact NE-OE2 2.69Å; R305-E420 PolarHBondContact NE-OE2 2.8Å; R305-E420 IonicContact NH2-OE1 3.26Å; R305-E420 IonicContact NH2-OE2 3.74Å; R305-E420 PolarHBondContact NH2-OE2 2.95Å; R400-E420 IonicContact CZ-OE1 3.47Å; R400-E420 IonicContact NE-OE1 2.8Å; R400-E420 PolarHBondContact NE-OE1 3.48Å; R400-E420 IonicContact NH2-OE1 3.83Å; R400-E420 PolarHBondContact NH2-OE1 3.34Å; R400-E420 IonicContact NH2-OE2 2.79Å; R400-E420 PolarHBondContact NH2-OE2 3.48Å; A401-E420 WeakPolarHBondContact O-CA 3.18Å; Y402-E420 HydrophobicContact CD1-CB 3.86Å; Y402-E420 HydrophobicContact CD1-CG 4.16Å; Y402-E420 HydrophobicContact CE1-CB 3.78Å; Y402-E420 HydrophobicContact CE1-CG 3.84Å
421	Y	98.4	Very high	95.3	Very high	7 Å²	7	27.4 Å²	27.4	3%	0.027	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	126.4	161.6	175.4	-113.2	0	0	0	108.2	L301 L394 K395 K399 R400 A401 G423 N424	L301-Y421 WeakPolarHBondContact O-CD2 3.36Å; L394-Y421 HydrophobicContact CB-CD1 4.34Å; L394-Y421 HydrophobicContact CB-CG 4.03Å; K395-Y421 HydrophobicContact CB-CD2 4.35Å; K395-Y421 HydrophobicContact CB-CE2 3.81Å; K395-Y421 HydrophobicContact CG-CE2 4.05Å; K399-Y421 VanDerWaalsContact O-CD1 3.28Å; K399-Y421 WeakPolarHBondContact O-CD1 3.37Å; R400-Y421 VanDerWaalsContact CA-O 3.28Å; R400-Y421 WeakPolarHBondContact CA-O 3.41Å; R400-Y421 WeakPolarHBondContact CG-O 3.27Å; A401-Y421 PolarHBondContact N-O 3.19Å; A401-Y421 VanDerWaalsContact N-O 3.15Å; A401-Y421 PolarHBondContact O-N 3.04Å; Y421-G423 VanDerWaalsContact CE1-CA 3.46Å; Y421-G423 PolarHBondContact O-N 3.4Å; Y421-N424 PolarHBondContact OH-OD1 2.63Å
422	P	92.8	Very high	95.2	Very high	53 Å²	53	25.2 Å²	25.2	34%	0.344	15%	0.145	S	C	.	.			trans	-67.8	-19.6	-172.7	25.4	-35.1	0	0	0	114.4	I300 R400	I300-P422 HydrophobicContact CG2-CG 4.41Å; R400-P422 WeakPolarHBondContact CB-O 3.43Å
423	G	85.9	Confident	94.9	Very high	18 Å²	18	26.9 Å²	26.9	19%	0.186	15%	0.154	C	C	.	.			trans	91.7	170.8	-164.9	0	0	0	0	0	111.7	Y421	Y421-G423 VanDerWaalsContact CE1-CA 3.46Å; Y421-G423 PolarHBondContact O-N 3.4Å
424	N	70.7	Confident	94.5	Very high	195 Å²	195	25.8 Å²	25.8	100%	1.043	15%	0.15	S	C	*	.			trans	-91.9	0	167	-76.7	-25.2	0	0	0	110.8	Y421	Y421-N424 PolarHBondContact OH-OD1 2.63Å

Retrieved 424 of 424 residues in 1692.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).