A0A096N3J2_PAPAN Loading...

Alkaline phosphatase

AlphaFold DB , UniProt , Accession A0A096N3J2, Species PAPAN (Papio anubis, Olive baboon), Gene ALPI, Length 528 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36	Very low	38.6	Very low	227 Å²	227	149.5 Å²	149.5	100%	1.118	82%	0.819	S	S	*	*				0	118.5	0	-80.8	166.9	62.3	0	0	108.6
2	Q	37.8	Very low	38.7	Very low	194 Å²	194	148.3 Å²	148.3	91%	0.907	81%	0.81	S	S	*	*			trans	28.4	128.5	147.8	-57	171.8	-14.2	0	0	118
3	G	36	Very low	38.5	Very low	63 Å²	63	154.7 Å²	154.7	65%	0.649	81%	0.814	S	S	*	*			cis	173.3	160.2	6.7	0	0	0	0	0	108.5
4	P	43.6	Very low	38.3	Very low	125 Å²	125	152.9 Å²	152.9	81%	0.812	81%	0.805	S	S	*	*			trans	-88.6	130	176.9	32.3	-26.9	0	0	0	110.7	V6	P4-V6 PolarHBondContact O-N 3.47Å
5	W	36.9	Very low	38.4	Very low	251 Å²	251	154.9 Å²	154.9	95%	0.951	81%	0.808	S	S	*	*			trans	-74	114.5	170.6	-85.7	53.3	0	0	0	109.8
6	V	38.6	Very low	38.7	Very low	118 Å²	118	153.1 Å²	153.1	72%	0.715	80%	0.799	S	S	*	*			trans	-81.7	112.4	167.7	173.8	0	0	0	0	107.9	P4 L8	P4-V6 PolarHBondContact O-N 3.47Å; V6-L8 HydrophobicContact CG1-CD1 4.34Å; V6-L8 PolarHBondContact O-N 3.23Å
7	L	38.4	Very low	39.5	Very low	162 Å²	162	149.4 Å²	149.4	85%	0.848	79%	0.789	S	S	*	*			trans	-76.6	99.7	168.1	-103.1	146.3	0	0	0	108.6	L9	L7-L9 PolarHBondContact O-N 3.33Å
8	L	37.6	Very low	40.8	Very low	134 Å²	134	149 Å²	149	70%	0.702	79%	0.787	S	S	*	*			trans	-76.3	103.8	172	-141.6	89.9	0	0	0	108.6	V6 L10	V6-L8 HydrophobicContact CG1-CD1 4.34Å; V6-L8 PolarHBondContact O-N 3.23Å; L8-L10 VanDerWaalsContact C-N 3.29Å; L8-L10 HydrophobicContact CD2-CD1 3.86Å; L8-L10 HydrophobicContact CD2-CG 4.23Å; L8-L10 PolarHBondContact O-N 3.37Å
9	L	39.6	Very low	42.3	Very low	170 Å²	170	142.6 Å²	142.6	89%	0.89	76%	0.76	S	S	*	*			trans	-73.4	85.1	167.5	-84.8	161.9	0	0	0	109	L7 G11	L7-L9 PolarHBondContact O-N 3.33Å; L9-G11 VanDerWaalsContact C-N 3.28Å; L9-G11 PolarHBondContact O-N 3.45Å
10	L	41.3	Very low	44.4	Very low	129 Å²	129	140.3 Å²	140.3	68%	0.675	75%	0.747	S	S	*	*			trans	-70.7	86.9	163.9	-98.1	144.5	0	0	0	108.6	L8 L12	L8-L10 VanDerWaalsContact C-N 3.29Å; L8-L10 HydrophobicContact CD2-CD1 3.86Å; L8-L10 HydrophobicContact CD2-CG 4.23Å; L8-L10 PolarHBondContact O-N 3.37Å; L10-L12 HydrophobicContact CD2-CD1 4.27Å; L10-L12 PolarHBondContact O-N 3.4Å
11	G	38.6	Very low	46.5	Very low	72 Å²	72	139.2 Å²	139.2	74%	0.742	74%	0.74	S	S	*	*			trans	-69.5	78.2	163.4	0	0	0	0	0	110	L9 R13	L9-G11 VanDerWaalsContact C-N 3.28Å; L9-G11 PolarHBondContact O-N 3.45Å; G11-R13 VanDerWaalsContact C-N 3.27Å; G11-R13 PolarHBondContact O-N 3.11Å
12	L	40	Very low	49	Very low	135 Å²	135	129.1 Å²	129.1	71%	0.707	69%	0.692	S	S	*	*			trans	-65	93.3	160.7	-99.4	116.9	0	0	0	107.5	L10 L14	L10-L12 HydrophobicContact CD2-CD1 4.27Å; L10-L12 PolarHBondContact O-N 3.4Å; L12-L14 HydrophobicContact CD2-CD1 4.42Å; L12-L14 PolarHBondContact O-N 2.78Å
13	R	35.8	Very low	51.7	Low	231 Å²	231	125.3 Å²	125.3	87%	0.872	68%	0.681	S	S	*	*			trans	-68.4	91.3	158.8	-74.7	-165.5	178.6	-151.2	1.4	106.8	G11 Q15	G11-R13 VanDerWaalsContact C-N 3.27Å; G11-R13 PolarHBondContact O-N 3.11Å; R13-Q15 PolarHBondContact O-N 3.07Å
14	L	36.6	Very low	54.5	Low	130 Å²	130	127.6 Å²	127.6	68%	0.681	68%	0.675	S	S	*	*			trans	-59.2	100.7	150.7	-97.6	89.2	0	0	0	105.7	L12 L16	L12-L14 HydrophobicContact CD2-CD1 4.42Å; L12-L14 PolarHBondContact O-N 2.78Å; L14-L16 HydrophobicContact CD2-CD1 4.31Å; L14-L16 HydrophobicContact CD2-CG 4.44Å; L14-L16 PolarHBondContact O-N 3.46Å
15	Q	39.4	Very low	57	Low	182 Å²	182	122.9 Å²	122.9	85%	0.85	64%	0.642	S	S	*	*			trans	-69.3	76.3	159.9	-83.9	177.2	-50.6	0	0	107	R13 S17	R13-Q15 PolarHBondContact O-N 3.07Å; Q15-S17 VanDerWaalsContact C-N 3.31Å; Q15-S17 PolarHBondContact O-N 2.76Å; Q15-S17 VanDerWaalsContact O-N 3.07Å
16	L	42.8	Very low	59.8	Low	126 Å²	126	117.2 Å²	117.2	66%	0.66	63%	0.626	S	S	*	*			trans	-63	103.6	153.6	-81.1	151.5	0	0	0	104.8	L14 L18	L14-L16 HydrophobicContact CD2-CD1 4.31Å; L14-L16 HydrophobicContact CD2-CG 4.44Å; L14-L16 PolarHBondContact O-N 3.46Å; L16-L18 HydrophobicContact CB-CG 4.41Å; L16-L18 PolarHBondContact O-N 3.24Å
17	S	52.1	Low	62.6	Low	91 Å²	91	115.9 Å²	115.9	64%	0.636	62%	0.615	S	S	*	*			trans	-67.3	74.3	172.1	43.2	0	0	0	0	108.7	Q15 F388	Q15-S17 VanDerWaalsContact C-N 3.31Å; Q15-S17 PolarHBondContact O-N 2.76Å; Q15-S17 VanDerWaalsContact O-N 3.07Å; S17-F388 WeakPolarHBondContact O-CD2 3.43Å; S17-F388 WeakPolarHBondContact O-CE2 3.32Å
18	L	63.9	Low	65.4	Low	142 Å²	142	112.3 Å²	112.3	74%	0.743	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-72.3	130.1	168.9	-70.4	163.9	0	0	0	107.5	L16	L16-L18 HydrophobicContact CB-CG 4.41Å; L16-L18 PolarHBondContact O-N 3.24Å
19	G	69.1	Low	68.3	Low	28 Å²	28	107.9 Å²	107.9	29%	0.289	59%	0.585	S	S	.	*	P	Polyproline II helix	trans	-58.2	142.5	173.6	0	0	0	0	0	112
20	I	83.6	Confident	71.1	Confident	95 Å²	95	102 Å²	102	49%	0.487	55%	0.552	S	S	.	*	P	Polyproline II helix	trans	-84.3	119.3	176.8	-58.8	173.5	0	0	0	107.9	L82 R389	I20-L82 HydrophobicContact CB-CD1 4.33Å; I20-L82 HydrophobicContact CB-CD2 3.99Å; I20-L82 HydrophobicContact CD1-CD2 3.79Å; I20-L82 HydrophobicContact CG1-CD2 4.47Å; I20-L82 HydrophobicContact CG2-CD1 4.02Å; I20-L82 HydrophobicContact CG2-CD2 4.01Å; I20-R389 PolarHBondContact N-O 2.73Å; I20-R389 WeakPolarHBondContact O-CB 3.33Å
21	I	88.3	Confident	73.8	Confident	119 Å²	119	102 Å²	102	61%	0.61	54%	0.543	S	S	*	.			trans	-100.5	112.1	167.2	-55.3	175.9	0	0	0	106.1	V23 E26	I21-V23 PolarHBondContact O-N 3.43Å; I21-E26 HydrophobicContact CG2-CG 3.68Å
22	P	89.9	Confident	76.7	Confident	15 Å²	15	104 Å²	104	10%	0.097	54%	0.537	C	S	.	.			trans	-58.5	129.9	171.7	-23.1	33.6	0	0	0	110.3	E24 E25 E26 L82	P22-E24 VanDerWaalsContact CB-CD 3.47Å; P22-E24 HydrophobicContact CB-CG 4.12Å; P22-E24 WeakPolarHBondContact CB-OE2 3.49Å; P22-E24 PolarHBondContact O-N 2.72Å; P22-E25 HydrophobicContact CB-CB 4.12Å; P22-E25 HydrophobicContact CB-CG 4Å; P22-E25 HydrophobicContact CG-CB 4.43Å; P22-E25 HydrophobicContact CG-CG 4.13Å; P22-E25 PolarHBondContact O-N 3Å; P22-E26 PolarHBondContact O-N 3.49Å; P22-L82 HydrophobicContact CG-CD1 3.41Å; P22-L82 VanDerWaalsContact CG-CD1 3.41Å
23	V	93.1	Very high	79.5	Confident	113 Å²	113	104.9 Å²	104.9	69%	0.685	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-32.1	-177.1	177.9	0	0	0	0	110.9	I21 E26	I21-V23 PolarHBondContact O-N 3.43Å; V23-E26 PolarHBondContact O-N 3.44Å
24	E	94.3	Very high	82.4	Confident	112 Å²	112	98.9 Å²	98.9	52%	0.523	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-35.4	174.3	63.6	-88	-148.3	0	0	113.4	P22 E26 N27 F30	P22-E24 VanDerWaalsContact CB-CD 3.47Å; P22-E24 HydrophobicContact CB-CG 4.12Å; P22-E24 WeakPolarHBondContact CB-OE2 3.49Å; P22-E24 PolarHBondContact O-N 2.72Å; E24-E26 VanDerWaalsContact C-N 3.29Å; E24-E26 PolarHBondContact O-N 2.94Å; E24-N27 PolarHBondContact O-N 3.03Å; E24-F30 HydrophobicContact CB-CD2 4.15Å; E24-F30 HydrophobicContact CG-CD2 4.09Å; E24-F30 HydrophobicContact CG-CE2 4.02Å; E24-F30 WeakPolarHBondContact O-CB 3.45Å
25	E	96.4	Very high	85.4	Confident	26 Å²	26	95.1 Å²	95.1	12%	0.121	50%	0.5	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-16.7	-179.2	-74.8	-173.9	-159.8	0	0	112.3	P22 N27 F30 W31 R389	P22-E25 HydrophobicContact CB-CB 4.12Å; P22-E25 HydrophobicContact CB-CG 4Å; P22-E25 HydrophobicContact CG-CB 4.43Å; P22-E25 HydrophobicContact CG-CG 4.13Å; P22-E25 PolarHBondContact O-N 3Å; E25-N27 PolarHBondContact O-N 3.32Å; E25-F30 HydrophobicContact CG-CD1 3.97Å; E25-F30 HydrophobicContact CG-CE1 3.64Å; E25-F30 HydrophobicContact CG-CZ 4.08Å; E25-W31 HydrophobicContact CB-CZ2 3.79Å; E25-W31 HydrophobicContact CG-CH2 4.07Å; E25-W31 HydrophobicContact CG-CZ2 3.69Å; E25-W31 PolarHBondContact O-NE1 3.39Å; E25-R389 IonicContact OE1-CZ 3.18Å; E25-R389 IonicContact OE1-NH1 2.74Å; E25-R389 PolarHBondContact OE1-NH1 3.17Å; E25-R389 IonicContact OE1-NH2 3.38Å; E25-R389 PolarHBondContact OE1-NH2 2.96Å; E25-R389 IonicContact OE2-CZ 2.84Å; E25-R389 IonicContact OE2-NH1 3.61Å; E25-R389 PolarHBondContact OE2-NH1 2.7Å; E25-R389 IonicContact OE2-NH2 3.49Å
26	E	95.8	Very high	88.2	Confident	131 Å²	131	88.6 Å²	88.6	61%	0.612	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-25.4	171.5	-63.5	-176.5	-144.9	0	0	112.2	I21 P22 V23 E24 P28	I21-E26 HydrophobicContact CG2-CG 3.68Å; P22-E26 PolarHBondContact O-N 3.49Å; V23-E26 PolarHBondContact O-N 3.44Å; E24-E26 VanDerWaalsContact C-N 3.29Å; E24-E26 PolarHBondContact O-N 2.94Å; E26-P28 WeakPolarHBondContact O-CD 3.46Å
27	N	97.6	Very high	90.8	Very high	90 Å²	90	87.7 Å²	87.7	48%	0.481	47%	0.47	S	S	.	.	S	Bend	trans	-88.8	120.8	-177.2	-172.8	-19.6	0	0	0	111.3	E24 E25 A29 F30	E24-N27 PolarHBondContact O-N 3.03Å; E25-N27 PolarHBondContact O-N 3.32Å; N27-A29 PolarHBondContact O-N 3.4Å; N27-A29 VanDerWaalsContact OD1-CB 3.24Å; N27-A29 WeakPolarHBondContact OD1-CB 3.42Å; N27-A29 PolarHBondContact OD1-N 3.27Å; N27-F30 VanDerWaalsContact O-CB 3.32Å; N27-F30 WeakPolarHBondContact O-CB 3.27Å; N27-F30 PolarHBondContact O-N 2.84Å
28	P	98.2	Very high	93	Very high	87 Å²	87	86.3 Å²	86.3	57%	0.565	46%	0.463	S	S	*	.	H	α-helix	trans	-54.7	-26.4	176.1	-26.6	35.2	0	0	0	114.5	E26 F30 W31 N32	E26-P28 WeakPolarHBondContact O-CD 3.46Å; P28-F30 VanDerWaalsContact C-N 3.25Å; P28-F30 PolarHBondContact O-N 2.02Å; P28-W31 PolarHBondContact O-N 3.45Å; P28-N32 VanDerWaalsContact O-CG 3.3Å; P28-N32 PolarHBondContact O-N 3.33Å; P28-N32 PolarHBondContact O-ND2 3.12Å
29	A	98.3	Very high	94.7	Very high	42 Å²	42	84.4 Å²	84.4	35%	0.347	45%	0.453	S	S	.	.	H	α-helix	trans	-64	-27.9	176.7	0	0	0	0	0	113.3	N27 R33	N27-A29 PolarHBondContact O-N 3.4Å; N27-A29 VanDerWaalsContact OD1-CB 3.24Å; N27-A29 WeakPolarHBondContact OD1-CB 3.42Å; N27-A29 PolarHBondContact OD1-N 3.27Å; A29-R33 VanDerWaalsContact O-CB 3.3Å; A29-R33 WeakPolarHBondContact O-CB 3.42Å; A29-R33 PolarHBondContact O-N 3.24Å
30	F	98.2	Very high	96.1	Very high	45 Å²	45	86.8 Å²	86.8	20%	0.197	46%	0.459	C	S	.	.	H	α-helix	trans	-61.7	-53.9	173.3	173.9	-91.5	0	0	0	110.3	E24 E25 N27 P28 N32 R33 H34	E24-F30 HydrophobicContact CB-CD2 4.15Å; E24-F30 HydrophobicContact CG-CD2 4.09Å; E24-F30 HydrophobicContact CG-CE2 4.02Å; E24-F30 WeakPolarHBondContact O-CB 3.45Å; E25-F30 HydrophobicContact CG-CD1 3.97Å; E25-F30 HydrophobicContact CG-CE1 3.64Å; E25-F30 HydrophobicContact CG-CZ 4.08Å; N27-F30 VanDerWaalsContact O-CB 3.32Å; N27-F30 WeakPolarHBondContact O-CB 3.27Å; N27-F30 PolarHBondContact O-N 2.84Å; P28-F30 VanDerWaalsContact C-N 3.25Å; P28-F30 PolarHBondContact O-N 2.02Å; F30-N32 PolarHBondContact O-N 3.15Å; F30-R33 PolarHBondContact O-N 3.04Å; F30-H34 AromaticContact CE1-CD2 3.93Å; F30-H34 AromaticContact CE2-CD2 3.95Å; F30-H34 AromaticContact CZ-CD2 3.61Å; F30-H34 AromaticContact CZ-NE2 3.85Å; F30-H34 PolarHBondContact O-N 2.73Å
31	W	98.2	Very high	96.8	Very high	129 Å²	129	85.1 Å²	85.1	49%	0.489	46%	0.46	S	S	.	.	H	α-helix	trans	-63.2	-43.1	179.6	-59.9	110.1	0	0	0	112.5	E25 P28 R33 H34 A35	E25-W31 HydrophobicContact CB-CZ2 3.79Å; E25-W31 HydrophobicContact CG-CH2 4.07Å; E25-W31 HydrophobicContact CG-CZ2 3.69Å; E25-W31 PolarHBondContact O-NE1 3.39Å; P28-W31 PolarHBondContact O-N 3.45Å; W31-R33 VanDerWaalsContact C-N 3.32Å; W31-R33 PolarHBondContact O-N 3.11Å; W31-H34 PolarHBondContact O-N 3.37Å; W31-A35 WeakPolarHBondContact O-CB 3.4Å; W31-A35 PolarHBondContact O-N 2.97Å
32	N	98.6	Very high	97.3	Very high	115 Å²	115	82.6 Å²	82.6	62%	0.615	46%	0.457	S	S	*	.	H	α-helix	trans	-62.3	-39.1	177.5	-71.4	-24.9	0	0	0	112.2	P28 F30 A36	P28-N32 VanDerWaalsContact O-CG 3.3Å; P28-N32 PolarHBondContact O-N 3.33Å; P28-N32 PolarHBondContact O-ND2 3.12Å; F30-N32 PolarHBondContact O-N 3.15Å; N32-A36 WeakPolarHBondContact O-CB 3.47Å; N32-A36 PolarHBondContact O-N 2.74Å
33	R	98.6	Very high	97.7	Very high	154 Å²	154	88.9 Å²	88.9	58%	0.581	48%	0.483	S	S	*	.	H	α-helix	trans	-68	-48	177.4	-170.9	-172.3	-53.5	146.4	7.4	111.3	A29 F30 W31 A35 A36 E37	A29-R33 VanDerWaalsContact O-CB 3.3Å; A29-R33 WeakPolarHBondContact O-CB 3.42Å; A29-R33 PolarHBondContact O-N 3.24Å; F30-R33 PolarHBondContact O-N 3.04Å; W31-R33 VanDerWaalsContact C-N 3.32Å; W31-R33 PolarHBondContact O-N 3.11Å; R33-A35 VanDerWaalsContact C-N 3.28Å; R33-A35 PolarHBondContact O-N 2.87Å; R33-A36 PolarHBondContact O-N 3.34Å; R33-A36 VanDerWaalsContact O-N 3.13Å; R33-E37 WeakPolarHBondContact CG-OE1 3.01Å; R33-E37 WeakPolarHBondContact O-CG 3.25Å; R33-E37 PolarHBondContact O-N 2.99Å
34	H	97.6	Very high	97.9	Very high	105 Å²	105	91.1 Å²	91.1	49%	0.486	48%	0.483	S	S	.	.	H	α-helix	trans	-56.6	-43.3	176.2	-112.7	-78.8	0	0	0	111.7	F30 W31 E37 A38	F30-H34 AromaticContact CE1-CD2 3.93Å; F30-H34 AromaticContact CE2-CD2 3.95Å; F30-H34 AromaticContact CZ-CD2 3.61Å; F30-H34 AromaticContact CZ-NE2 3.85Å; F30-H34 PolarHBondContact O-N 2.73Å; W31-H34 PolarHBondContact O-N 3.37Å; H34-E37 PolarHBondContact O-N 3.44Å; H34-A38 WeakPolarHBondContact O-CB 3.38Å; H34-A38 PolarHBondContact O-N 2.92Å
35	A	98.7	Very high	98.1	Very high	50 Å²	50	89 Å²	89	41%	0.413	48%	0.475	S	S	.	.	H	α-helix	trans	-66.5	-40.3	176.6	0	0	0	0	0	112.6	W31 R33 A38 L39	W31-A35 WeakPolarHBondContact O-CB 3.4Å; W31-A35 PolarHBondContact O-N 2.97Å; R33-A35 VanDerWaalsContact C-N 3.28Å; R33-A35 PolarHBondContact O-N 2.87Å; A35-A38 PolarHBondContact O-N 2.78Å; A35-L39 WeakPolarHBondContact O-CB 3.29Å; A35-L39 VanDerWaalsContact O-CG 3.28Å; A35-L39 WeakPolarHBondContact O-CG 3.29Å; A35-L39 PolarHBondContact O-N 3.16Å
36	A	98.6	Very high	98.1	Very high	46 Å²	46	94.2 Å²	94.2	38%	0.38	50%	0.499	S	S	.	.	H	α-helix	trans	-62.9	-44.1	176.3	0	0	0	0	0	111.7	N32 R33 L39 D40	N32-A36 WeakPolarHBondContact O-CB 3.47Å; N32-A36 PolarHBondContact O-N 2.74Å; R33-A36 PolarHBondContact O-N 3.34Å; R33-A36 VanDerWaalsContact O-N 3.13Å; A36-L39 PolarHBondContact O-N 2.96Å; A36-D40 WeakPolarHBondContact O-CB 2.98Å; A36-D40 PolarHBondContact O-N 3.09Å
37	E	98.5	Very high	98.2	Very high	107 Å²	107	90.6 Å²	90.6	50%	0.5	49%	0.487	S	S	.	.	H	α-helix	trans	-62	-43.1	175.6	-71.2	170	-171	0	0	111.7	R33 H34 D40 A41	R33-E37 WeakPolarHBondContact CG-OE1 3.01Å; R33-E37 WeakPolarHBondContact O-CG 3.25Å; R33-E37 PolarHBondContact O-N 2.99Å; H34-E37 PolarHBondContact O-N 3.44Å; E37-D40 PolarHBondContact O-N 3.48Å; E37-A41 WeakPolarHBondContact O-CB 3.48Å; E37-A41 PolarHBondContact O-N 2.84Å
38	A	98.4	Very high	98.3	Very high	61 Å²	61	88.6 Å²	88.6	50%	0.504	48%	0.476	S	S	.	.	H	α-helix	trans	-63.5	-41.8	175.5	0	0	0	0	0	112.4	H34 A35 D40 A41 A42	H34-A38 WeakPolarHBondContact O-CB 3.38Å; H34-A38 PolarHBondContact O-N 2.92Å; A35-A38 PolarHBondContact O-N 2.78Å; A38-D40 VanDerWaalsContact C-N 3.34Å; A38-A41 PolarHBondContact O-N 2.83Å; A38-A42 WeakPolarHBondContact O-CB 3.41Å; A38-A42 PolarHBondContact O-N 2.88Å
39	L	98.8	Very high	98.2	Very high	102 Å²	102	90.8 Å²	90.8	53%	0.534	48%	0.479	S	S	.	.	H	α-helix	trans	-64	-39.2	174.9	-74.4	170.2	0	0	0	111.9	A35 A36 A42 K43	A35-L39 WeakPolarHBondContact O-CB 3.29Å; A35-L39 VanDerWaalsContact O-CG 3.28Å; A35-L39 WeakPolarHBondContact O-CG 3.29Å; A35-L39 PolarHBondContact O-N 3.16Å; A36-L39 PolarHBondContact O-N 2.96Å; L39-A42 PolarHBondContact O-N 3.29Å; L39-K43 WeakPolarHBondContact O-CB 3.48Å; L39-K43 VanDerWaalsContact O-CG 3.23Å; L39-K43 WeakPolarHBondContact O-CG 3.45Å; L39-K43 PolarHBondContact O-N 2.84Å
40	D	98.5	Very high	98.1	Very high	78 Å²	78	92.8 Å²	92.8	42%	0.417	48%	0.479	S	S	.	.	H	α-helix	trans	-69.2	-37.3	177.2	-76	-11.3	0	0	0	112.1	A36 E37 A38 K43 K44	A36-D40 WeakPolarHBondContact O-CB 2.98Å; A36-D40 PolarHBondContact O-N 3.09Å; E37-D40 PolarHBondContact O-N 3.48Å; A38-D40 VanDerWaalsContact C-N 3.34Å; D40-K43 IonicContact OD1-NZ 3.7Å; D40-K44 WeakPolarHBondContact O-CD 3.31Å; D40-K44 VanDerWaalsContact O-CG 3.24Å; D40-K44 WeakPolarHBondContact O-CG 3.47Å; D40-K44 PolarHBondContact O-N 3.16Å
41	A	97.9	Very high	98.1	Very high	61 Å²	61	91.6 Å²	91.6	50%	0.504	48%	0.476	S	S	.	.	H	α-helix	trans	-63.4	-46.9	171.2	0	0	0	0	0	111.3	E37 A38 K43 K44 L45	E37-A41 WeakPolarHBondContact O-CB 3.48Å; E37-A41 PolarHBondContact O-N 2.84Å; A38-A41 PolarHBondContact O-N 2.83Å; A41-K43 PolarHBondContact O-N 3.08Å; A41-K44 PolarHBondContact O-N 3.31Å; A41-K44 VanDerWaalsContact O-N 3.14Å; A41-L45 PolarHBondContact O-N 2.75Å
42	A	98.3	Very high	98.1	Very high	65 Å²	65	85.5 Å²	85.5	54%	0.537	45%	0.453	S	S	.	.	H	α-helix	trans	-61.3	-41	179.2	0	0	0	0	0	112.7	A38 L39 K44 L45	A38-A42 WeakPolarHBondContact O-CB 3.41Å; A38-A42 PolarHBondContact O-N 2.88Å; L39-A42 PolarHBondContact O-N 3.29Å; A42-K44 VanDerWaalsContact C-N 3.26Å; A42-K44 PolarHBondContact O-N 2.69Å; A42-L45 WeakPolarHBondContact O-CB 3.39Å; A42-L45 PolarHBondContact O-N 2.7Å
43	K	98.3	Very high	98.2	Very high	148 Å²	148	82.7 Å²	82.7	64%	0.643	44%	0.435	S	S	*	.	H	α-helix	trans	-65.5	-27.2	176.7	-73.3	166.9	-173.1	167.7	0	113.5	L39 D40 A41	L39-K43 WeakPolarHBondContact O-CB 3.48Å; L39-K43 VanDerWaalsContact O-CG 3.23Å; L39-K43 WeakPolarHBondContact O-CG 3.45Å; L39-K43 PolarHBondContact O-N 2.84Å; D40-K43 IonicContact OD1-NZ 3.7Å; A41-K43 PolarHBondContact O-N 3.08Å
44	K	98.1	Very high	98.2	Very high	160 Å²	160	75.8 Å²	75.8	70%	0.696	41%	0.41	S	S	*	.	H	α-helix	trans	-84.6	-14	179.6	-71.3	169.1	-172.3	171.4	0	112.8	D40 A41 A42 Q46	D40-K44 WeakPolarHBondContact O-CD 3.31Å; D40-K44 VanDerWaalsContact O-CG 3.24Å; D40-K44 WeakPolarHBondContact O-CG 3.47Å; D40-K44 PolarHBondContact O-N 3.16Å; A41-K44 PolarHBondContact O-N 3.31Å; A41-K44 VanDerWaalsContact O-N 3.14Å; A42-K44 VanDerWaalsContact C-N 3.26Å; A42-K44 PolarHBondContact O-N 2.69Å; K44-Q46 PolarHBondContact O-N 2.86Å
45	L	97.8	Very high	98.2	Very high	66 Å²	66	70.8 Å²	70.8	35%	0.346	39%	0.387	S	S	.	.			trans	-63.8	124.5	-179.1	-171.5	60.8	0	0	0	109.9	A41 A42 P94 Y95	A41-L45 PolarHBondContact O-N 2.75Å; A42-L45 WeakPolarHBondContact O-CB 3.39Å; A42-L45 PolarHBondContact O-N 2.7Å; L45-P94 HydrophobicContact CD1-CB 3.58Å; L45-P94 HydrophobicContact CD1-CG 4.08Å; L45-P94 HydrophobicContact CD2-CB 3.85Å; L45-P94 HydrophobicContact CG-CB 4.38Å; L45-Y95 HydrophobicContact CD1-CE2 4.24Å; L45-Y95 WeakPolarHBondContact CD1-OH 3.06Å; L45-Y95 HydrophobicContact CD2-CD1 4.15Å; L45-Y95 HydrophobicContact CD2-CE1 3.48Å; L45-Y95 VanDerWaalsContact CD2-CE1 3.48Å; L45-Y95 HydrophobicContact CD2-CE2 4.49Å; L45-Y95 HydrophobicContact CG-CE1 4.05Å; L45-Y95 WeakPolarHBondContact CG-OH 3.27Å
46	Q	98	Very high	98.2	Very high	136 Å²	136	68.4 Å²	68.4	64%	0.636	37%	0.367	S	S	*	.			trans	-124.1	138.9	178.3	-67.2	-61.1	-51.4	0	0	109.9	K44 I48 Y95	K44-Q46 PolarHBondContact O-N 2.86Å; Q46-I48 PolarHBondContact O-N 2.91Å; Q46-Y95 PolarHBondContact O-OH 3.05Å
47	P	98.1	Very high	98.3	Very high	55 Å²	55	66.2 Å²	66.2	36%	0.357	35%	0.349	S	S	.	.			trans	-57.3	124.5	169.5	-29.2	38.5	0	0	0	112.3	Q49 H466	P47-Q49 HydrophobicContact CB-CG 3.94Å; P47-Q49 PolarHBondContact O-N 3.26Å; P47-H466 HydrophobicContact CB-CB 4.36Å; P47-H466 HydrophobicContact CG-CB 4.41Å
48	I	98	Very high	98.3	Very high	49 Å²	49	61.1 Å²	61.1	25%	0.251	33%	0.325	S	S	.	.			trans	-83.4	92.5	167.7	-58.1	171.9	0	0	0	107.7	Q46 K50 E366 P463 Q464	Q46-I48 PolarHBondContact O-N 2.91Å; I48-K50 VanDerWaalsContact C-N 3.26Å; I48-K50 HydrophobicContact CG2-CB 4.43Å; I48-K50 PolarHBondContact O-N 2.99Å; I48-K50 VanDerWaalsContact O-N 3.14Å; I48-E366 WeakPolarHBondContact CD1-O 3.03Å; I48-P463 HydrophobicContact CG2-CB 4Å; I48-P463 HydrophobicContact CG2-CG 3.98Å; I48-P463 WeakPolarHBondContact O-CA 3.34Å; I48-Q464 PolarHBondContact O-N 2.95Å; I48-Q464 PolarHBondContact O-NE2 3.21Å
49	Q	96.5	Very high	98.3	Very high	132 Å²	132	58.2 Å²	58.2	62%	0.617	30%	0.301	S	S	*	.			trans	-86.9	54.2	-177.5	-62.4	-173.2	40.4	0	0	112.6	P47	P47-Q49 HydrophobicContact CB-CG 3.94Å; P47-Q49 PolarHBondContact O-N 3.26Å
50	K	97.1	Very high	98.3	Very high	84 Å²	84	53.4 Å²	53.4	37%	0.365	28%	0.276	S	S	.	.	B	Isolated β-bridge	trans	-127.7	167.4	177.4	-64.8	-176.7	-178.2	178.8	0	111.1	I48 P463 Q464 A496 A499	I48-K50 VanDerWaalsContact C-N 3.26Å; I48-K50 HydrophobicContact CG2-CB 4.43Å; I48-K50 PolarHBondContact O-N 2.99Å; I48-K50 VanDerWaalsContact O-N 3.14Å; K50-P463 VanDerWaalsContact O-CB 3.28Å; K50-P463 WeakPolarHBondContact O-CB 3.45Å; K50-Q464 VanDerWaalsContact N-NE2 3.12Å; K50-Q464 PolarHBondContact O-NE2 3.06Å; K50-A496 CarbonylContact C-O 3.45Å; K50-A496 WeakPolarHBondContact CA-O 3.49Å; K50-A499 HydrophobicContact CD-CB 3.91Å
51	V	98.1	Very high	98.3	Very high	21 Å²	21	49.7 Å²	49.7	13%	0.127	26%	0.256	C	S	.	.			trans	-67.3	134.3	170.8	177.9	0	0	0	0	110.3	K53 A484 C486 L495 A496 P498	V51-K53 PolarHBondContact O-N 3.36Å; V51-A484 CarbonylContact C-O 3.47Å; V51-A484 WeakPolarHBondContact CA-O 3.45Å; V51-C486 WeakPolarHBondContact CG2-SG 3.39Å; V51-L495 HydrophobicContact CG2-CB 3.58Å; V51-L495 HydrophobicContact CG2-CD1 4.42Å; V51-A496 WeakPolarHBondContact CG2-O 3.32Å; V51-A496 PolarHBondContact N-O 3.48Å; V51-P498 HydrophobicContact CB-CG 4.13Å; V51-P498 HydrophobicContact CG1-CG 4.25Å; V51-P498 WeakPolarHBondContact O-CA 3.49Å; V51-P498 WeakPolarHBondContact O-CB 3.24Å; V51-P498 WeakPolarHBondContact O-CG 3.32Å
52	A	98.7	Very high	98.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.232	C	C	.	.			trans	-74.9	115.9	166	0	0	0	0	0	109.7	L55 D368 L370 P463 A484	A52-L55 HydrophobicContact CB-CD2 4.06Å; A52-D368 CarbonylContact C-O 3.58Å; A52-L370 HydrophobicContact CB-CB 3.83Å; A52-P463 HydrophobicContact CB-CB 4.09Å; A52-P463 HydrophobicContact CB-CG 4.26Å; A52-A484 HydrophobicContact CB-CB 4.03Å; A52-A484 PolarHBondContact N-O 3.1Å
53	K	98.7	Very high	98.4	Very high	56 Å²	56	43.9 Å²	43.9	24%	0.243	21%	0.208	C	C	.	.	S	Bend	trans	-67	-43.8	169.6	-178.4	-174.9	168.5	-172.8	0	110	V51 K160 P322 G324 D368 P498	V51-K53 PolarHBondContact O-N 3.36Å; K53-K160 PolarHBondContact O-NZ 2.98Å; K53-P322 VanDerWaalsContact CE-O 3.28Å; K53-P322 WeakPolarHBondContact CE-O 3.47Å; K53-G324 WeakPolarHBondContact O-CA 3.23Å; K53-D368 WeakPolarHBondContact CA-O 3.27Å; K53-D368 HydrophobicContact CB-CB 4.02Å; K53-D368 WeakPolarHBondContact CB-O 3.33Å; K53-D368 WeakPolarHBondContact CD-OD2 3.43Å; K53-D368 PolarHBondContact N-O 2.94Å; K53-P498 HydrophobicContact CB-CB 4.04Å; K53-P498 HydrophobicContact CB-CG 3.94Å
54	N	98.9	Very high	98.4	Very high	10 Å²	10	36.9 Å²	36.9	5%	0.053	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	147	-177.6	-42.2	-56.5	0	0	0	110.6	G324 F325 D368 T369 L370	N54-G324 WeakPolarHBondContact OD1-CA 3Å; N54-F325 CarbonylContact C-O 3.56Å; N54-F325 WeakPolarHBondContact CA-O 3.28Å; N54-F325 HydrophobicContact CB-CD1 4.03Å; N54-F325 HydrophobicContact CB-CD2 4.37Å; N54-F325 HydrophobicContact CB-CE1 3.69Å; N54-F325 HydrophobicContact CB-CE2 4.07Å; N54-F325 HydrophobicContact CB-CG 4.35Å; N54-F325 HydrophobicContact CB-CZ 3.7Å; N54-F325 VanDerWaalsContact CG-CE1 3.41Å; N54-F325 VanDerWaalsContact OD1-CD1 3.31Å; N54-F325 WeakPolarHBondContact OD1-CD1 3.39Å; N54-F325 WeakPolarHBondContact OD1-CE1 3.42Å; N54-F325 PolarHBondContact OD1-N 2.69Å; N54-D368 PolarHBondContact N-O 2.83Å; N54-D368 PolarHBondContact ND2-OD1 2.89Å; N54-T369 HydrophobicContact CB-CG2 3.84Å; N54-T369 PolarHBondContact ND2-OG1 3.49Å; N54-T369 WeakPolarHBondContact O-CA 3.35Å; N54-L370 PolarHBondContact O-N 3.3Å
55	L	98.9	Very high	98.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	125.3	177.6	-71.1	-177.5	0	0	0	108.5	A52 V151 F325 Y326 L327 L370 M481 A485 L487	A52-L55 HydrophobicContact CB-CD2 4.06Å; L55-V151 HydrophobicContact CD1-CG1 4.12Å; L55-F325 PolarHBondContact N-O 3.27Å; L55-Y326 HydrophobicContact CB-CD2 3.68Å; L55-Y326 HydrophobicContact CB-CE2 4.38Å; L55-Y326 HydrophobicContact CB-CG 4.35Å; L55-Y326 HydrophobicContact CD1-CD2 3.8Å; L55-Y326 HydrophobicContact CD1-CE2 4.44Å; L55-Y326 HydrophobicContact CG-CD2 4.42Å; L55-Y326 CarbonylContact O-C 3.53Å; L55-Y326 VanDerWaalsContact O-CA 3.31Å; L55-Y326 WeakPolarHBondContact O-CA 3.45Å; L55-L327 PolarHBondContact O-N 3.15Å; L55-L370 WeakPolarHBondContact CA-O 3.43Å; L55-L370 HydrophobicContact CD2-CB 3.96Å; L55-L370 HydrophobicContact CD2-CD2 4.05Å; L55-L370 HydrophobicContact CD2-CG 4.38Å; L55-M481 HydrophobicContact CB-CE 3.81Å; L55-M481 HydrophobicContact CD1-CB 4.26Å; L55-M481 WeakPolarHBondContact CD1-O 3.42Å; L55-M481 HydrophobicContact CD2-CB 4.25Å; L55-M481 HydrophobicContact CD2-CE 4.4Å; L55-M481 HydrophobicContact CG-CE 4.5Å; L55-A485 HydrophobicContact CD1-CB 3.63Å; L55-A485 HydrophobicContact CD2-CB 4.06Å; L55-A485 HydrophobicContact CG-CB 3.89Å; L55-L487 HydrophobicContact CD1-CD1 3.88Å
56	I	98.9	Very high	98.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	126.4	173.2	-51.4	-177.6	0	0	0	109.3	F58 L315 F325 L327 A360 T364 T369 L370 T371 L372	I56-F58 HydrophobicContact CB-CE2 4.47Å; I56-F58 HydrophobicContact CG2-CD2 3.65Å; I56-F58 HydrophobicContact CG2-CE2 3.37Å; I56-F58 HydrophobicContact CG2-CZ 4.11Å; I56-L315 HydrophobicContact CD1-CD2 4.07Å; I56-F325 HydrophobicContact CD1-CE2 3.95Å; I56-F325 HydrophobicContact CD1-CZ 4.18Å; I56-F325 HydrophobicContact CG1-CE2 3.78Å; I56-F325 HydrophobicContact CG1-CZ 4.41Å; I56-L327 WeakPolarHBondContact CA-O 3.12Å; I56-L327 HydrophobicContact CG1-CB 4.35Å; I56-L327 HydrophobicContact CG2-CB 4.42Å; I56-L327 HydrophobicContact CG2-CD2 4.41Å; I56-L327 HydrophobicContact CG2-CG 4.46Å; I56-A360 HydrophobicContact CD1-CB 4.46Å; I56-T364 HydrophobicContact CD1-CG2 3.99Å; I56-T369 HydrophobicContact CD1-CG2 3.92Å; I56-T369 HydrophobicContact CG1-CG2 3.99Å; I56-L370 PolarHBondContact N-O 3.04Å; I56-T371 HydrophobicContact CB-CG2 4.21Å; I56-T371 HydrophobicContact CG2-CG2 4.47Å; I56-T371 CarbonylContact O-C 3.59Å; I56-T371 WeakPolarHBondContact O-CA 3.32Å; I56-L372 PolarHBondContact O-N 2.94Å
57	L	99	Very high	98.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	113.9	169.6	-179.7	62.3	0	0	0	109.5	Y118 L119 L327 F328 V329 L372 T374 V477 M481	L57-Y118 HydrophobicContact CD2-CD2 3.63Å; L57-Y118 HydrophobicContact CD2-CE2 4.1Å; L57-L119 HydrophobicContact CD2-CD2 3.69Å; L57-L327 PolarHBondContact N-O 3.25Å; L57-F328 HydrophobicContact CB-CD2 4.5Å; L57-F328 HydrophobicContact CD2-CD2 4.18Å; L57-F328 HydrophobicContact CD2-CE2 4.44Å; L57-F328 HydrophobicContact CG-CD2 4.38Å; L57-F328 WeakPolarHBondContact O-CA 3.31Å; L57-V329 PolarHBondContact O-N 3.27Å; L57-L372 HydrophobicContact CD1-CB 3.81Å; L57-T374 HydrophobicContact CD1-CG2 3.99Å; L57-V477 HydrophobicContact CD1-CG1 3.89Å; L57-V477 HydrophobicContact CD2-CG1 4.35Å; L57-M481 HydrophobicContact CB-CE 3.84Å; L57-M481 HydrophobicContact CB-SD 3.95Å; L57-M481 HydrophobicContact CD1-SD 4.35Å; L57-M481 HydrophobicContact CD2-SD 4.39Å; L57-M481 HydrophobicContact CG-SD 4.47Å
58	F	99	Very high	98.6	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	123.3	167.3	-77.7	-84.1	0	0	0	109.6	I56 T311 V329 F353 A356 I357 A360 T371 L372 I373 T374	I56-F58 HydrophobicContact CB-CE2 4.47Å; I56-F58 HydrophobicContact CG2-CD2 3.65Å; I56-F58 HydrophobicContact CG2-CE2 3.37Å; I56-F58 HydrophobicContact CG2-CZ 4.11Å; F58-T311 HydrophobicContact CE1-CG2 4.4Å; F58-T311 HydrophobicContact CZ-CG2 4.21Å; F58-V329 CarbonylContact C-O 3.6Å; F58-V329 VanDerWaalsContact CA-O 3.31Å; F58-V329 WeakPolarHBondContact CA-O 3.45Å; F58-V329 HydrophobicContact CD1-CB 3.58Å; F58-V329 HydrophobicContact CD1-CG1 3.8Å; F58-V329 HydrophobicContact CD1-CG2 4.24Å; F58-V329 HydrophobicContact CE1-CB 3.59Å; F58-V329 HydrophobicContact CE1-CG1 3.6Å; F58-V329 HydrophobicContact CE1-CG2 3.84Å; F58-V329 HydrophobicContact CG-CB 4.35Å; F58-V329 HydrophobicContact CZ-CB 4.37Å; F58-V329 HydrophobicContact CZ-CG2 4.16Å; F58-F353 HydrophobicContact CB-CE2 3.82Å; F58-F353 HydrophobicContact CB-CZ 3.6Å; F58-F353 HydrophobicContact CD1-CD2 4.46Å; F58-F353 AromaticContact CD1-CE2 3.86Å; F58-F353 HydrophobicContact CD1-CE2 3.86Å; F58-F353 HydrophobicContact CD1-CZ 4.37Å; F58-F353 HydrophobicContact CG-CE2 4.35Å; F58-F353 HydrophobicContact CG-CZ 4.47Å; F58-A356 HydrophobicContact CE1-CB 4.2Å; F58-I357 HydrophobicContact CB-CD1 4.25Å; F58-I357 HydrophobicContact CB-CG1 3.98Å; F58-I357 HydrophobicContact CD1-CD1 4.41Å; F58-I357 HydrophobicContact CD1-CG1 3.47Å; F58-I357 VanDerWaalsContact CD1-CG1 3.47Å; F58-I357 HydrophobicContact CD2-CG1 3.92Å; F58-I357 HydrophobicContact CE1-CG1 3.84Å; F58-I357 HydrophobicContact CE2-CG1 4.24Å; F58-I357 HydrophobicContact CG-CD1 4.32Å; F58-I357 HydrophobicContact CG-CG1 3.52Å; F58-I357 HydrophobicContact CZ-CG1 4.22Å; F58-A360 HydrophobicContact CE2-CB 3.8Å; F58-A360 HydrophobicContact CZ-CB 3.47Å; F58-A360 VanDerWaalsContact CZ-CB 3.47Å; F58-T371 HydrophobicContact CD2-CG2 3.8Å; F58-T371 HydrophobicContact CE2-CG2 3.99Å; F58-L372 PolarHBondContact N-O 3.49Å; F58-I373 HydrophobicContact CB-CB 4.29Å; F58-I373 HydrophobicContact CB-CG1 3.92Å; F58-I373 HydrophobicContact CB-CG2 4.23Å; F58-I373 HydrophobicContact CD2-CG1 4.37Å; F58-I373 HydrophobicContact CG-CG1 4.47Å; F58-I373 WeakPolarHBondContact O-CA 3.27Å; F58-T374 PolarHBondContact O-N 3.46Å
59	L	98.9	Very high	98.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	110.5	-179.7	-165.3	-66	0	0	0	110	D61 Y118 F328 V329 E330 G331 F353 T374 D376	L59-D61 HydrophobicContact CD1-CB 4.06Å; L59-Y118 HydrophobicContact CD2-CD1 4.34Å; L59-Y118 HydrophobicContact CD2-CD2 4.36Å; L59-Y118 HydrophobicContact CD2-CE1 3.97Å; L59-Y118 HydrophobicContact CD2-CE2 3.98Å; L59-Y118 HydrophobicContact CG-CE1 4.36Å; L59-Y118 HydrophobicContact CG-CE2 4.02Å; L59-F328 HydrophobicContact CB-CE2 3.58Å; L59-F328 HydrophobicContact CB-CZ 3.92Å; L59-F328 HydrophobicContact CG-CE2 4.1Å; L59-F328 HydrophobicContact CG-CZ 4.32Å; L59-V329 PolarHBondContact N-O 3.35Å; L59-E330 HydrophobicContact CB-CG 4.42Å; L59-E330 HydrophobicContact CD1-CG 4.27Å; L59-E330 CarbonylContact O-C 3.55Å; L59-E330 VanDerWaalsContact O-CA 3.24Å; L59-E330 WeakPolarHBondContact O-CA 3.11Å; L59-G331 PolarHBondContact O-N 2.98Å; L59-F353 VanDerWaalsContact C-CZ 3.43Å; L59-F353 WeakPolarHBondContact O-CE2 3.46Å; L59-T374 WeakPolarHBondContact CA-O 3.35Å; L59-T374 HydrophobicContact CD2-CG2 3.64Å; L59-D376 HydrophobicContact CD1-CB 4.07Å; L59-D376 HydrophobicContact CD2-CB 4.15Å
60	G	98.9	Very high	98.8	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	100.6	168.4	0	0	0	0	0	108.9	G62 M63 T374 A375	G60-G62 PolarHBondContact O-N 3.21Å; G60-M63 WeakPolarHBondContact O-CB 3.37Å; G60-M63 PolarHBondContact O-N 2.73Å; G60-T374 PolarHBondContact N-O 2.86Å; G60-A375 VanDerWaalsContact O-CA 3.31Å; G60-A375 WeakPolarHBondContact O-CA 3.22Å; G60-A375 WeakPolarHBondContact O-CB 3.45Å
61	D	98.9	Very high	98.9	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	123.5	-177.3	-159.2	-48.9	0	0	0	108.9	L59 M63 S174 I334 D335 D376 H377	L59-D61 HydrophobicContact CD1-CB 4.06Å; D61-M63 PolarHBondContact O-N 2.87Å; D61-S174 PolarHBondContact OD2-OG 3.26Å; D61-I334 VanDerWaalsContact O-CB 3.32Å; D61-I334 WeakPolarHBondContact O-CB 3.38Å; D61-D335 HydrophobicContact CB-CB 3.96Å; D61-D335 WeakPolarHBondContact O-CB 3.43Å; D61-D335 PolarHBondContact O-N 2.82Å; D61-D335 WeakPolarHBondContact OD1-CB 3.17Å; D61-D376 WeakPolarHBondContact CA-OD1 3.25Å; D61-H377 IonicContact OD1-CE1 3.78Å; D61-H377 IonicContact OD1-NE2 3.74Å
62	G	98.7	Very high	98.9	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	3.5	-173	0	0	0	0	0	116	G60 G64 D376 H377 H379	G60-G62 PolarHBondContact O-N 3.21Å; G62-G64 VanDerWaalsContact C-N 3.27Å; G62-G64 PolarHBondContact O-N 3.45Å; G62-D376 PolarHBondContact N-OD1 3.41Å; G62-H377 CarbonylContact C-O 3.37Å; G62-H377 VanDerWaalsContact C-O 3.22Å; G62-H377 VanDerWaalsContact CA-O 3.3Å; G62-H377 WeakPolarHBondContact CA-O 3.46Å; G62-H379 WeakPolarHBondContact CA-NE2 3.48Å; G62-H379 PolarHBondContact O-CD2 2.81Å; G62-H379 VanDerWaalsContact O-CD2 3.3Å
63	M	98.9	Very high	98.9	Very high	5 Å²	5	13.1 Å²	13.1	3%	0.025	7%	0.07	C	C	.	.			trans	-81.2	59.2	-171.5	-162.3	-168.8	67	0	0	113.9	G60 D61 T67 V68 M90 I334 A350 F353 A375	G60-M63 WeakPolarHBondContact O-CB 3.37Å; G60-M63 PolarHBondContact O-N 2.73Å; D61-M63 PolarHBondContact O-N 2.87Å; M63-T67 HydrophobicContact CG-CG2 3.86Å; M63-V68 HydrophobicContact CE-CG2 3.89Å; M63-V68 HydrophobicContact CG-CG2 4.09Å; M63-V68 HydrophobicContact SD-CG2 4.33Å; M63-M90 HydrophobicContact CE-CE 3.81Å; M63-M90 HydrophobicContact CE-SD 3.86Å; M63-M90 HydrophobicContact SD-CE 3.99Å; M63-I334 HydrophobicContact CB-CD1 4.13Å; M63-I334 HydrophobicContact CB-CG2 4.22Å; M63-I334 HydrophobicContact CG-CD1 4.14Å; M63-I334 HydrophobicContact CG-CG2 4.47Å; M63-I334 HydrophobicContact SD-CD1 4Å; M63-A350 HydrophobicContact SD-CB 4.4Å; M63-F353 HydrophobicContact CE-CD1 4.11Å; M63-F353 HydrophobicContact CE-CE1 3.61Å; M63-F353 HydrophobicContact SD-CD1 3.67Å; M63-F353 HydrophobicContact SD-CE1 3.81Å; M63-A375 HydrophobicContact CB-CB 4.15Å; M63-A375 WeakPolarHBondContact O-CB 3.37Å
64	G	98.9	Very high	98.9	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.061	C	C	.	.			trans	-69	179.8	176.7	0	0	0	0	0	114.3	G62 P66 T67 V68 S378	G62-G64 VanDerWaalsContact C-N 3.27Å; G62-G64 PolarHBondContact O-N 3.45Å; G64-P66 VanDerWaalsContact C-CD 3.49Å; G64-T67 WeakPolarHBondContact O-CB 3.35Å; G64-T67 PolarHBondContact O-N 3.2Å; G64-V68 PolarHBondContact O-N 2.76Å; G64-S378 VanDerWaalsContact CA-OG 3.28Å; G64-S378 WeakPolarHBondContact CA-OG 3.27Å
65	V	98.9	Very high	98.9	Very high	65 Å²	65	11.5 Å²	11.5	39%	0.394	6%	0.063	S	C	.	.	H	α-helix	trans	-55.8	-40.8	-171.5	-179.9	0	0	0	0	113.8	V68 T69	V65-V68 PolarHBondContact O-N 3.2Å; V65-T69 PolarHBondContact O-N 2.98Å; V65-T69 VanDerWaalsContact O-N 3.14Å; V65-T69 PolarHBondContact O-OG1 3.05Å
66	P	98.9	Very high	98.9	Very high	32 Å²	32	11.5 Å²	11.5	21%	0.208	6%	0.063	C	C	.	.	H	α-helix	trans	-62.7	-42.3	175.8	-23	35.7	0	0	0	112.2	G64 T69 A70 F381	G64-P66 VanDerWaalsContact C-CD 3.49Å; P66-T69 PolarHBondContact O-N 2.88Å; P66-A70 WeakPolarHBondContact O-CB 3.3Å; P66-A70 PolarHBondContact O-N 2.9Å; P66-F381 HydrophobicContact CB-CD1 3.75Å; P66-F381 HydrophobicContact CB-CE1 4.02Å
67	T	98.9	Very high	98.9	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-61.7	-45.5	177.2	-54	0	0	0	0	111.3	M63 G64 T69 A70 A71 I334 H338 L347 A350	M63-T67 HydrophobicContact CG-CG2 3.86Å; G64-T67 WeakPolarHBondContact O-CB 3.35Å; G64-T67 PolarHBondContact O-N 3.2Å; T67-T69 VanDerWaalsContact C-N 3.31Å; T67-T69 PolarHBondContact O-N 3.1Å; T67-A70 PolarHBondContact O-N 3.14Å; T67-A71 VanDerWaalsContact O-CB 3.25Å; T67-A71 WeakPolarHBondContact O-CB 3.42Å; T67-A71 PolarHBondContact O-N 2.9Å; T67-I334 HydrophobicContact CG2-CG2 3.92Å; T67-H338 VanDerWaalsContact CG2-NE2 3.31Å; T67-H338 WeakPolarHBondContact CG2-NE2 3.22Å; T67-H338 PolarHBondContact OG1-NE2 3.49Å; T67-L347 HydrophobicContact CG2-CD2 3.99Å; T67-A350 HydrophobicContact CG2-CB 4.44Å
68	V	98.9	Very high	98.8	Very high	7 Å²	7	19.8 Å²	19.8	4%	0.042	10%	0.1	C	C	.	.	H	α-helix	trans	-55.7	-47	175.6	173.4	0	0	0	0	111	M63 G64 V65 A71 R72 L88 M90	M63-V68 HydrophobicContact CE-CG2 3.89Å; M63-V68 HydrophobicContact CG-CG2 4.09Å; M63-V68 HydrophobicContact SD-CG2 4.33Å; G64-V68 PolarHBondContact O-N 2.76Å; V65-V68 PolarHBondContact O-N 3.2Å; V68-A71 PolarHBondContact O-N 2.95Å; V68-R72 WeakPolarHBondContact O-CB 3.45Å; V68-R72 PolarHBondContact O-N 3.02Å; V68-L88 HydrophobicContact CG1-CD1 4.02Å; V68-M90 HydrophobicContact CG1-SD 3.96Å; V68-M90 HydrophobicContact CG2-SD 4.18Å
69	T	98.9	Very high	98.8	Very high	34 Å²	34	24.8 Å²	24.8	21%	0.209	13%	0.126	C	C	.	.	H	α-helix	trans	-70.4	-40.6	-177.1	-58	0	0	0	0	112.5	V65 P66 T67 A71 R72 I73 F383	V65-T69 PolarHBondContact O-N 2.98Å; V65-T69 VanDerWaalsContact O-N 3.14Å; V65-T69 PolarHBondContact O-OG1 3.05Å; P66-T69 PolarHBondContact O-N 2.88Å; T67-T69 VanDerWaalsContact C-N 3.31Å; T67-T69 PolarHBondContact O-N 3.1Å; T69-A71 VanDerWaalsContact C-N 3.35Å; T69-R72 WeakPolarHBondContact O-CB 3.47Å; T69-R72 PolarHBondContact O-N 3.22Å; T69-R72 PolarHBondContact OG1-NH1 3.28Å; T69-I73 HydrophobicContact CG2-CD1 4.45Å; T69-I73 WeakPolarHBondContact O-CG1 3.34Å; T69-I73 PolarHBondContact O-N 3.44Å; T69-I73 VanDerWaalsContact O-N 3.1Å; T69-F383 HydrophobicContact CG2-CE1 3.94Å; T69-F383 HydrophobicContact CG2-CE2 4.41Å; T69-F383 HydrophobicContact CG2-CZ 3.52Å
70	A	98.9	Very high	98.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-65.8	-38.3	175.7	0	0	0	0	0	111.8	P66 T67 I73 L74 L347 F381 I393	P66-A70 WeakPolarHBondContact O-CB 3.3Å; P66-A70 PolarHBondContact O-N 2.9Å; T67-A70 PolarHBondContact O-N 3.14Å; A70-I73 PolarHBondContact O-N 3.44Å; A70-L74 WeakPolarHBondContact O-CB 3.25Å; A70-L74 PolarHBondContact O-N 2.87Å; A70-L347 HydrophobicContact CB-CD1 3.7Å; A70-L347 HydrophobicContact CB-CD2 3.69Å; A70-L347 HydrophobicContact CB-CG 4.37Å; A70-F381 HydrophobicContact CB-CE1 3.86Å; A70-F381 HydrophobicContact CB-CZ 3.69Å; A70-I393 HydrophobicContact CB-CD1 4.24Å; A70-I393 HydrophobicContact CB-CG1 3.99Å
71	A	98.9	Very high	98.6	Very high	2 Å²	2	34.2 Å²	34.2	2%	0.017	19%	0.187	C	C	.	.	H	α-helix	trans	-65.9	-38.6	174	0	0	0	0	0	112.1	T67 V68 T69 L74 K75 L347 A350	T67-A71 VanDerWaalsContact O-CB 3.25Å; T67-A71 WeakPolarHBondContact O-CB 3.42Å; T67-A71 PolarHBondContact O-N 2.9Å; V68-A71 PolarHBondContact O-N 2.95Å; T69-A71 VanDerWaalsContact C-N 3.35Å; A71-L74 PolarHBondContact O-N 2.91Å; A71-K75 WeakPolarHBondContact O-CB 3.26Å; A71-K75 PolarHBondContact O-N 2.96Å; A71-L347 HydrophobicContact CB-CD2 4.36Å; A71-A350 HydrophobicContact CB-CB 3.72Å
72	R	98.9	Very high	98.5	Very high	44 Å²	44	35.7 Å²	35.7	17%	0.166	20%	0.195	C	C	.	.	H	α-helix	trans	-56.5	-49.8	172	-174.2	-172.4	-60.1	110.4	5.3	111.7	V68 T69 L74 K75 G76 P84 T86 L88 D91	V68-R72 WeakPolarHBondContact O-CB 3.45Å; V68-R72 PolarHBondContact O-N 3.02Å; T69-R72 WeakPolarHBondContact O-CB 3.47Å; T69-R72 PolarHBondContact O-N 3.22Å; T69-R72 PolarHBondContact OG1-NH1 3.28Å; R72-L74 PolarHBondContact O-N 3.21Å; R72-K75 PolarHBondContact O-N 3.32Å; R72-G76 PolarHBondContact O-N 3.36Å; R72-P84 WeakPolarHBondContact CD-O 3.38Å; R72-T86 WeakPolarHBondContact CG-O 3.44Å; R72-L88 HydrophobicContact CB-CD1 4Å; R72-L88 HydrophobicContact CB-CD2 4.29Å; R72-L88 HydrophobicContact CB-CG 3.85Å; R72-L88 HydrophobicContact CG-CG 4.11Å; R72-D91 IonicContact CZ-OD1 3.81Å; R72-D91 IonicContact CZ-OD2 2.7Å; R72-D91 IonicContact NE-OD1 2.97Å; R72-D91 IonicContact NE-OD2 3.46Å; R72-D91 PolarHBondContact NE-OD2 2.77Å; R72-D91 IonicContact NH2-OD1 3.55Å; R72-D91 PolarHBondContact NH2-OD1 3.13Å; R72-D91 IonicContact NH2-OD2 3.59Å; R72-D91 PolarHBondContact NH2-OD2 3.49Å
73	I	98.9	Very high	98.5	Very high	21 Å²	21	35.7 Å²	35.7	11%	0.108	20%	0.195	C	C	.	.	H	α-helix	trans	-59.4	-48.8	177.6	-66	166.4	0	0	0	110.1	T69 A70 G76 Q77 G83 P84 F383 I393	T69-I73 HydrophobicContact CG2-CD1 4.45Å; T69-I73 WeakPolarHBondContact O-CG1 3.34Å; T69-I73 PolarHBondContact O-N 3.44Å; T69-I73 VanDerWaalsContact O-N 3.1Å; A70-I73 PolarHBondContact O-N 3.44Å; I73-G76 PolarHBondContact O-N 3Å; I73-Q77 HydrophobicContact CG2-CG 4.49Å; I73-Q77 WeakPolarHBondContact O-CB 3.4Å; I73-Q77 VanDerWaalsContact O-CG 3.26Å; I73-Q77 WeakPolarHBondContact O-CG 3.46Å; I73-Q77 PolarHBondContact O-N 3.41Å; I73-G83 WeakPolarHBondContact O-CA 3.19Å; I73-P84 HydrophobicContact CD1-CB 4.49Å; I73-P84 HydrophobicContact CG1-CB 3.92Å; I73-F383 HydrophobicContact CD1-CE2 4.4Å; I73-I393 HydrophobicContact CB-CD1 4.33Å; I73-I393 HydrophobicContact CD1-CD1 3.85Å; I73-I393 HydrophobicContact CG2-CB 4.1Å; I73-I393 HydrophobicContact CG2-CD1 4.21Å; I73-I393 HydrophobicContact CG2-CG1 4.48Å
74	L	98.9	Very high	98.5	Very high	13 Å²	13	38.1 Å²	38.1	7%	0.068	21%	0.212	C	C	.	.	H	α-helix	trans	-59.5	-49.2	178.9	-179.7	60.3	0	0	0	112.3	A70 A71 R72 Q77 K78 L347 T348 V351 I393 F394	A70-L74 WeakPolarHBondContact O-CB 3.25Å; A70-L74 PolarHBondContact O-N 2.87Å; A71-L74 PolarHBondContact O-N 2.91Å; R72-L74 PolarHBondContact O-N 3.21Å; L74-Q77 PolarHBondContact O-N 3.48Å; L74-K78 HydrophobicContact CD1-CD 4.29Å; L74-K78 HydrophobicContact CD1-CG 4.28Å; L74-K78 HydrophobicContact CG-CD 4.16Å; L74-K78 WeakPolarHBondContact O-CG 3.47Å; L74-K78 PolarHBondContact O-N 2.83Å; L74-L347 HydrophobicContact CD2-CB 3.6Å; L74-T348 HydrophobicContact CD2-CG2 4.16Å; L74-V351 HydrophobicContact CD2-CG2 4.05Å; L74-V351 HydrophobicContact CG-CG2 4.24Å; L74-I393 HydrophobicContact CB-CG2 4.21Å; L74-I393 HydrophobicContact CD1-CG2 4.3Å; L74-F394 HydrophobicContact CD1-CE2 3.66Å; L74-F394 HydrophobicContact CD1-CZ 4.09Å; L74-F394 HydrophobicContact CD2-CE2 4.33Å; L74-F394 HydrophobicContact CD2-CZ 3.93Å
75	K	98.8	Very high	98.4	Very high	18 Å²	18	41.7 Å²	41.7	8%	0.078	23%	0.228	C	C	.	.	H	α-helix	trans	-62.6	-45	-178.8	-166.3	168.8	173.4	171.6	0	111.2	A71 R72 Q77 K78 N79 L88 V351 D354 D355 E358	A71-K75 WeakPolarHBondContact O-CB 3.26Å; A71-K75 PolarHBondContact O-N 2.96Å; R72-K75 PolarHBondContact O-N 3.32Å; K75-Q77 VanDerWaalsContact C-N 3.34Å; K75-Q77 PolarHBondContact O-N 3.17Å; K75-K78 PolarHBondContact O-N 3.07Å; K75-N79 WeakPolarHBondContact O-CB 3.35Å; K75-N79 PolarHBondContact O-N 3.34Å; K75-N79 PolarHBondContact O-ND2 3.01Å; K75-L88 HydrophobicContact CB-CD2 3.94Å; K75-L88 HydrophobicContact CD-CD2 3.67Å; K75-L88 HydrophobicContact CG-CD2 4.37Å; K75-V351 HydrophobicContact CB-CG1 4.49Å; K75-V351 HydrophobicContact CB-CG2 4.03Å; K75-V351 HydrophobicContact CD-CG1 4.23Å; K75-V351 HydrophobicContact CG-CG1 4.15Å; K75-D354 IonicContact NZ-OD2 3.44Å; K75-D354 PolarHBondContact NZ-OD2 2.97Å; K75-D355 WeakPolarHBondContact CE-OD1 3.35Å; K75-D355 IonicContact NZ-OD1 3.03Å; K75-D355 PolarHBondContact NZ-OD1 3.14Å; K75-E358 IonicContact NZ-OE2 3.42Å
76	G	98.7	Very high	98.4	Very high	1 Å²	1	40 Å²	40	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-58.4	-45.7	175.1	0	0	0	0	0	112	R72 I73 N79 G80 K81	R72-G76 PolarHBondContact O-N 3.36Å; I73-G76 PolarHBondContact O-N 3Å; G76-N79 CarbonylContact O-C 3.41Å; G76-N79 WeakPolarHBondContact O-CA 3.42Å; G76-N79 PolarHBondContact O-N 3.21Å; G76-N79 VanDerWaalsContact O-N 3.1Å; G76-G80 PolarHBondContact O-N 3.14Å; G76-K81 WeakPolarHBondContact O-CA 3.27Å; G76-K81 VanDerWaalsContact O-CB 3.3Å; G76-K81 WeakPolarHBondContact O-CB 3.38Å; G76-K81 PolarHBondContact O-N 3.04Å
77	Q	98.5	Very high	98.3	Very high	43 Å²	43	42.9 Å²	42.9	20%	0.201	24%	0.237	C	C	.	.	H	α-helix	trans	-64.6	-42	177.7	-72.1	173.4	-2.7	0	0	112.9	I73 L74 K75 N79 G80 K81 L82 S391	I73-Q77 HydrophobicContact CG2-CG 4.49Å; I73-Q77 WeakPolarHBondContact O-CB 3.4Å; I73-Q77 VanDerWaalsContact O-CG 3.26Å; I73-Q77 WeakPolarHBondContact O-CG 3.46Å; I73-Q77 PolarHBondContact O-N 3.41Å; L74-Q77 PolarHBondContact O-N 3.48Å; K75-Q77 VanDerWaalsContact C-N 3.34Å; K75-Q77 PolarHBondContact O-N 3.17Å; Q77-N79 PolarHBondContact O-N 2.96Å; Q77-G80 PolarHBondContact O-N 3.34Å; Q77-K81 WeakPolarHBondContact CA-O 3.4Å; Q77-L82 PolarHBondContact NE2-O 3.26Å; Q77-S391 PolarHBondContact NE2-O 2.88Å
78	K	98.1	Very high	98.3	Very high	131 Å²	131	43.1 Å²	43.1	57%	0.57	24%	0.238	S	C	*	.	H	α-helix	trans	-58.9	-29.5	172.9	-73.5	178.9	71.8	-178.3	0	112.2	L74 K75 G80	L74-K78 HydrophobicContact CD1-CD 4.29Å; L74-K78 HydrophobicContact CD1-CG 4.28Å; L74-K78 HydrophobicContact CG-CD 4.16Å; L74-K78 WeakPolarHBondContact O-CG 3.47Å; L74-K78 PolarHBondContact O-N 2.83Å; K75-K78 PolarHBondContact O-N 3.07Å; K78-G80 VanDerWaalsContact C-N 3.33Å
79	N	97.5	Very high	98.3	Very high	105 Å²	105	44 Å²	44	56%	0.561	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.5	15.4	177.7	-67	-18.3	0	0	0	113.7	K75 G76 Q77 K81	K75-N79 WeakPolarHBondContact O-CB 3.35Å; K75-N79 PolarHBondContact O-N 3.34Å; K75-N79 PolarHBondContact O-ND2 3.01Å; G76-N79 CarbonylContact O-C 3.41Å; G76-N79 WeakPolarHBondContact O-CA 3.42Å; G76-N79 PolarHBondContact O-N 3.21Å; G76-N79 VanDerWaalsContact O-N 3.1Å; Q77-N79 PolarHBondContact O-N 2.96Å; N79-K81 VanDerWaalsContact C-N 3.3Å; N79-K81 PolarHBondContact O-N 3.17Å
80	G	97.2	Very high	98.3	Very high	71 Å²	71	42.4 Å²	42.4	73%	0.732	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.6	19.3	176.4	0	0	0	0	0	114.5	G76 Q77 K78	G76-G80 PolarHBondContact O-N 3.14Å; Q77-G80 PolarHBondContact O-N 3.34Å; K78-G80 VanDerWaalsContact C-N 3.33Å
81	K	97.5	Very high	98.3	Very high	126 Å²	126	44.6 Å²	44.6	55%	0.548	25%	0.248	S	C	.	.	S	Bend	trans	-100.2	175.5	173.3	-53.3	-62.9	-174.8	177.1	0	110.5	G76 Q77 N79 G83 E85 T86	G76-K81 WeakPolarHBondContact O-CA 3.27Å; G76-K81 VanDerWaalsContact O-CB 3.3Å; G76-K81 WeakPolarHBondContact O-CB 3.38Å; G76-K81 PolarHBondContact O-N 3.04Å; Q77-K81 WeakPolarHBondContact CA-O 3.4Å; N79-K81 VanDerWaalsContact C-N 3.3Å; N79-K81 PolarHBondContact O-N 3.17Å; K81-G83 VanDerWaalsContact C-N 3.3Å; K81-E85 WeakPolarHBondContact CB-OE1 3.45Å; K81-T86 WeakPolarHBondContact CB-OG1 3.23Å; K81-T86 HydrophobicContact CG-CG2 4.44Å; K81-T86 WeakPolarHBondContact CG-OG1 3.3Å
82	L	97.4	Very high	98.3	Very high	31 Å²	31	46.7 Å²	46.7	16%	0.162	27%	0.27	C	S	.	.			trans	-78	-21.3	179.9	-62.5	180	0	0	0	112.3	I20 P22 Q77 P84 E85 R389 G390	I20-L82 HydrophobicContact CB-CD1 4.33Å; I20-L82 HydrophobicContact CB-CD2 3.99Å; I20-L82 HydrophobicContact CD1-CD2 3.79Å; I20-L82 HydrophobicContact CG1-CD2 4.47Å; I20-L82 HydrophobicContact CG2-CD1 4.02Å; I20-L82 HydrophobicContact CG2-CD2 4.01Å; P22-L82 HydrophobicContact CG-CD1 3.41Å; P22-L82 VanDerWaalsContact CG-CD1 3.41Å; Q77-L82 PolarHBondContact NE2-O 3.26Å; L82-P84 WeakPolarHBondContact O-CD 3.44Å; L82-E85 PolarHBondContact N-OE1 3.17Å; L82-R389 HydrophobicContact CB-CG 4.26Å; L82-R389 HydrophobicContact CD1-CG 3.95Å; L82-G390 WeakPolarHBondContact O-CA 3.09Å
83	G	97.9	Very high	98.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	27%	0.266	C	S	.	.	S	Bend	trans	124.3	-83.5	171.6	0	0	0	0	0	111.8	I73 K81 E85 T86	I73-G83 WeakPolarHBondContact O-CA 3.19Å; K81-G83 VanDerWaalsContact C-N 3.3Å; G83-E85 PolarHBondContact N-OE1 3.11Å; G83-E85 VanDerWaalsContact N-OE1 3.11Å; G83-E85 PolarHBondContact N-OE2 2.73Å; G83-E85 PolarHBondContact O-N 2.79Å; G83-E85 VanDerWaalsContact O-N 3.09Å; G83-T86 PolarHBondContact O-N 2.63Å
84	P	97.9	Very high	98.3	Very high	57 Å²	57	47.2 Å²	47.2	37%	0.37	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-22	-163	26.8	-35.5	0	0	0	114.7	R72 I73 L82 R389	R72-P84 WeakPolarHBondContact CD-O 3.38Å; I73-P84 HydrophobicContact CD1-CB 4.49Å; I73-P84 HydrophobicContact CG1-CB 3.92Å; L82-P84 WeakPolarHBondContact O-CD 3.44Å; P84-R389 VanDerWaalsContact CG-NE 3.31Å
85	E	97.8	Very high	98.3	Very high	74 Å²	74	48.3 Å²	48.3	35%	0.346	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-15.9	176.4	72.2	-65.3	158.8	0	0	114.3	K81 L82 G83 P87 R389	K81-E85 WeakPolarHBondContact CB-OE1 3.45Å; L82-E85 PolarHBondContact N-OE1 3.17Å; G83-E85 PolarHBondContact N-OE1 3.11Å; G83-E85 VanDerWaalsContact N-OE1 3.11Å; G83-E85 PolarHBondContact N-OE2 2.73Å; G83-E85 PolarHBondContact O-N 2.79Å; G83-E85 VanDerWaalsContact O-N 3.09Å; E85-P87 WeakPolarHBondContact O-CD 3.3Å; E85-R389 IonicContact OE2-CZ 3.54Å; E85-R389 IonicContact OE2-NE 3.46Å; E85-R389 PolarHBondContact OE2-NE 2.69Å; E85-R389 IonicContact OE2-NH2 3.55Å; E85-R389 PolarHBondContact OE2-NH2 2.82Å
86	T	97.9	Very high	98.3	Very high	31 Å²	31	51.1 Å²	51.1	19%	0.19	30%	0.3	C	S	.	.	S	Bend	trans	-88.6	113.9	-175.7	-56.6	0	0	0	0	109	R72 K81 G83	R72-T86 WeakPolarHBondContact CG-O 3.44Å; K81-T86 WeakPolarHBondContact CB-OG1 3.23Å; K81-T86 HydrophobicContact CG-CG2 4.44Å; K81-T86 WeakPolarHBondContact CG-OG1 3.3Å; G83-T86 PolarHBondContact O-N 2.63Å
87	P	98.4	Very high	98.3	Very high	91 Å²	91	51.3 Å²	51.3	59%	0.591	30%	0.301	S	S	*	.			trans	-65.9	140.9	-178.6	27.5	-33.9	0	0	0	111	E85 D91	E85-P87 WeakPolarHBondContact O-CD 3.3Å; P87-D91 HydrophobicContact CB-CB 3.93Å
88	L	98.9	Very high	98.3	Very high	6 Å²	6	52.4 Å²	52.4	3%	0.031	31%	0.308	C	S	.	.			trans	-67.8	163.3	160.2	-66.5	178.2	0	0	0	110	V68 R72 K75 M90 D91 D354	V68-L88 HydrophobicContact CG1-CD1 4.02Å; R72-L88 HydrophobicContact CB-CD1 4Å; R72-L88 HydrophobicContact CB-CD2 4.29Å; R72-L88 HydrophobicContact CB-CG 3.85Å; R72-L88 HydrophobicContact CG-CG 4.11Å; K75-L88 HydrophobicContact CB-CD2 3.94Å; K75-L88 HydrophobicContact CD-CD2 3.67Å; K75-L88 HydrophobicContact CG-CD2 4.37Å; L88-M90 HydrophobicContact CB-CG 3.77Å; L88-M90 HydrophobicContact CD1-CE 4.21Å; L88-M90 HydrophobicContact CD1-CG 3.97Å; L88-M90 HydrophobicContact CD1-SD 3.95Å; L88-M90 PolarHBondContact O-N 2.88Å; L88-D91 HydrophobicContact CB-CB 4.43Å; L88-D91 WeakPolarHBondContact CB-OD2 3.43Å; L88-D91 PolarHBondContact N-OD2 3.09Å; L88-D91 WeakPolarHBondContact O-CB 3.42Å; L88-D91 PolarHBondContact O-N 3.47Å; L88-D91 VanDerWaalsContact O-N 3.09Å; L88-D354 WeakPolarHBondContact CB-OD1 3.23Å; L88-D354 HydrophobicContact CD2-CB 4.38Å
89	A	98.9	Very high	98.3	Very high	24 Å²	24	46.3 Å²	46.3	20%	0.198	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-39.1	171.8	0	0	0	0	0	111.1	D91 G92 D354 I357 E358	A89-D91 VanDerWaalsContact C-N 3.29Å; A89-D91 PolarHBondContact O-N 2.87Å; A89-G92 PolarHBondContact O-N 3.32Å; A89-D354 WeakPolarHBondContact CB-OD1 3.36Å; A89-D354 VanDerWaalsContact N-CG 3.34Å; A89-D354 PolarHBondContact N-OD1 2.97Å; A89-D354 PolarHBondContact N-OD2 3.38Å; A89-I357 HydrophobicContact CB-CG2 4.08Å; A89-E358 HydrophobicContact CB-CB 3.74Å; A89-E358 HydrophobicContact CB-CG 4.37Å
90	M	98.8	Very high	98.4	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.01	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-63.3	-29.5	174	69	-176.3	72.2	0	0	113.9	M63 V68 L88 G92 F93 F353 D354 I357 I373 F459	M63-M90 HydrophobicContact CE-CE 3.81Å; M63-M90 HydrophobicContact CE-SD 3.86Å; M63-M90 HydrophobicContact SD-CE 3.99Å; V68-M90 HydrophobicContact CG1-SD 3.96Å; V68-M90 HydrophobicContact CG2-SD 4.18Å; L88-M90 HydrophobicContact CB-CG 3.77Å; L88-M90 HydrophobicContact CD1-CE 4.21Å; L88-M90 HydrophobicContact CD1-CG 3.97Å; L88-M90 HydrophobicContact CD1-SD 3.95Å; L88-M90 PolarHBondContact O-N 2.88Å; M90-G92 PolarHBondContact O-N 3.48Å; M90-F93 WeakPolarHBondContact O-CB 3.47Å; M90-F93 PolarHBondContact O-N 2.82Å; M90-F353 HydrophobicContact CE-CD1 4.09Å; M90-F353 HydrophobicContact CE-CE1 4.16Å; M90-D354 HydrophobicContact CE-CB 3.99Å; M90-D354 WeakPolarHBondContact CE-OD1 3.41Å; M90-D354 PolarHBondContact N-OD1 3.24Å; M90-I357 HydrophobicContact CB-CD1 4.39Å; M90-I357 HydrophobicContact CE-CD1 3.87Å; M90-I373 HydrophobicContact CB-CD1 3.64Å; M90-I373 HydrophobicContact CB-CG2 4.3Å; M90-F459 HydrophobicContact CB-CD2 4.48Å; M90-F459 WeakPolarHBondContact O-CD1 3.19Å; M90-F459 HydrophobicContact SD-CE2 4.19Å
91	D	98.8	Very high	98.5	Very high	46 Å²	46	41.1 Å²	41.1	25%	0.246	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-70.4	-20.2	178.3	-64.2	-32.3	0	0	0	112.6	R72 P87 L88 A89 F93	R72-D91 IonicContact CZ-OD1 3.81Å; R72-D91 IonicContact CZ-OD2 2.7Å; R72-D91 IonicContact NE-OD1 2.97Å; R72-D91 IonicContact NE-OD2 3.46Å; R72-D91 PolarHBondContact NE-OD2 2.77Å; R72-D91 IonicContact NH2-OD1 3.55Å; R72-D91 PolarHBondContact NH2-OD1 3.13Å; R72-D91 IonicContact NH2-OD2 3.59Å; R72-D91 PolarHBondContact NH2-OD2 3.49Å; P87-D91 HydrophobicContact CB-CB 3.93Å; L88-D91 HydrophobicContact CB-CB 4.43Å; L88-D91 WeakPolarHBondContact CB-OD2 3.43Å; L88-D91 PolarHBondContact N-OD2 3.09Å; L88-D91 WeakPolarHBondContact O-CB 3.42Å; L88-D91 PolarHBondContact O-N 3.47Å; L88-D91 VanDerWaalsContact O-N 3.09Å; A89-D91 VanDerWaalsContact C-N 3.29Å; A89-D91 PolarHBondContact O-N 2.87Å; D91-F93 PolarHBondContact O-N 3.14Å
92	G	98.4	Very high	98.6	Very high	46 Å²	46	39.8 Å²	39.8	47%	0.474	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-74.8	-5.5	176.2	0	0	0	0	0	113.9	A89 M90 R461	A89-G92 PolarHBondContact O-N 3.32Å; M90-G92 PolarHBondContact O-N 3.48Å; G92-R461 VanDerWaalsContact C-NH2 3.27Å; G92-R461 PolarHBondContact O-NH2 2.94Å
93	F	98.8	Very high	98.6	Very high	20 Å²	20	38.5 Å²	38.5	9%	0.088	22%	0.22	C	C	.	.			trans	-77.3	131.9	-177.2	-83.1	-128.7	0	0	0	111.2	M90 D91 Y95 I357 T371 I373 F459 A460 R461	M90-F93 WeakPolarHBondContact O-CB 3.47Å; M90-F93 PolarHBondContact O-N 2.82Å; D91-F93 PolarHBondContact O-N 3.14Å; F93-Y95 PolarHBondContact O-N 3.26Å; F93-I357 HydrophobicContact CE2-CG2 4.17Å; F93-I357 HydrophobicContact CZ-CG2 4.42Å; F93-T371 HydrophobicContact CE1-CG2 3.8Å; F93-T371 WeakPolarHBondContact CE1-O 3.44Å; F93-T371 HydrophobicContact CZ-CG2 3.79Å; F93-I373 HydrophobicContact CD1-CD1 3.91Å; F93-I373 HydrophobicContact CD2-CD1 3.88Å; F93-I373 HydrophobicContact CE1-CD1 3.62Å; F93-I373 HydrophobicContact CE1-CG1 4.2Å; F93-I373 HydrophobicContact CE2-CD1 3.59Å; F93-I373 HydrophobicContact CG-CD1 4.08Å; F93-I373 HydrophobicContact CZ-CD1 3.47Å; F93-I373 VanDerWaalsContact CZ-CD1 3.47Å; F93-I373 HydrophobicContact CZ-CG1 4.3Å; F93-F459 HydrophobicContact CB-CB 3.79Å; F93-F459 HydrophobicContact CD1-CB 4.12Å; F93-F459 HydrophobicContact CG-CB 4.12Å; F93-A460 VanDerWaalsContact CD1-C 3.42Å; F93-R461 HydrophobicContact CD1-CB 3.49Å; F93-R461 VanDerWaalsContact CD1-CB 3.49Å; F93-R461 HydrophobicContact CE1-CB 3.49Å; F93-R461 VanDerWaalsContact CE1-CB 3.49Å; F93-R461 HydrophobicContact CG-CB 4.1Å; F93-R461 HydrophobicContact CZ-CB 4.1Å
94	P	98.6	Very high	98.7	Very high	55 Å²	55	42.3 Å²	42.3	36%	0.357	24%	0.243	S	C	.	.	S	Bend	trans	-78.1	-18.3	-167.2	28.5	-35.9	0	0	0	115.3	L45 A460	L45-P94 HydrophobicContact CD1-CB 3.58Å; L45-P94 HydrophobicContact CD1-CG 4.08Å; L45-P94 HydrophobicContact CD2-CB 3.85Å; L45-P94 HydrophobicContact CG-CB 4.38Å; P94-A460 WeakPolarHBondContact CD-O 3.43Å
95	Y	98.9	Very high	98.7	Very high	36 Å²	36	43.4 Å²	43.4	14%	0.141	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	130.1	-177.6	-54.6	-74	0	0	0	110.3	L45 Q46 F93 F459 A460 A465 H466	L45-Y95 HydrophobicContact CD1-CE2 4.24Å; L45-Y95 WeakPolarHBondContact CD1-OH 3.06Å; L45-Y95 HydrophobicContact CD2-CD1 4.15Å; L45-Y95 HydrophobicContact CD2-CE1 3.48Å; L45-Y95 VanDerWaalsContact CD2-CE1 3.48Å; L45-Y95 HydrophobicContact CD2-CE2 4.49Å; L45-Y95 HydrophobicContact CG-CE1 4.05Å; L45-Y95 WeakPolarHBondContact CG-OH 3.27Å; Q46-Y95 PolarHBondContact O-OH 3.05Å; F93-Y95 PolarHBondContact O-N 3.26Å; Y95-F459 CarbonylContact O-C 3.49Å; Y95-F459 WeakPolarHBondContact O-CA 3.24Å; Y95-A460 PolarHBondContact N-O 3.29Å; Y95-A460 PolarHBondContact O-N 2.99Å; Y95-A465 WeakPolarHBondContact CB-O 3.41Å; Y95-A465 VanDerWaalsContact CD2-C 3.43Å; Y95-A465 HydrophobicContact CD2-CB 3.54Å; Y95-A465 HydrophobicContact CE2-CB 3.91Å; Y95-H466 HydrophobicContact CD1-CB 4.09Å; Y95-H466 VanDerWaalsContact CE1-CA 3.46Å; Y95-H466 HydrophobicContact CE1-CB 3.46Å; Y95-H466 VanDerWaalsContact CE1-CB 3.46Å; Y95-H466 HydrophobicContact CE2-CB 4.03Å; Y95-H466 VanDerWaalsContact CZ-CB 3.43Å
96	V	98.9	Very high	98.8	Very high	78 Å²	78	46.6 Å²	46.6	47%	0.473	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	137.1	-179.1	-176.6	0	0	0	0	110.1	V458 F459	V96-V458 CarbonylContact C-O 3.22Å; V96-V458 VanDerWaalsContact CA-O 3.24Å; V96-V458 WeakPolarHBondContact CA-O 3.32Å; V96-F459 HydrophobicContact CG2-CD1 3.74Å; V96-F459 HydrophobicContact CG2-CE1 4.16Å
97	A	98.9	Very high	98.8	Very high	4 Å²	4	53.2 Å²	53.2	3%	0.033	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	163.5	169.9	0	0	0	0	0	110.7	A457 V458 V468 G470	A97-A457 CarbonylContact O-C 3.48Å; A97-A457 WeakPolarHBondContact O-CA 3.31Å; A97-V458 HydrophobicContact CB-CB 4.47Å; A97-V458 PolarHBondContact N-O 3.21Å; A97-V458 PolarHBondContact O-N 2.02Å; A97-V468 HydrophobicContact CB-CG1 3.68Å; A97-G470 CarbonylContact C-O 3.55Å; A97-G470 VanDerWaalsContact CA-O 3.3Å; A97-G470 WeakPolarHBondContact CA-O 3.26Å; A97-G470 WeakPolarHBondContact CB-O 3.44Å
98	L	98.9	Very high	98.8	Very high	67 Å²	67	52.2 Å²	52.2	35%	0.351	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	143.3	164.1	-69	176.1	0	0	0	110	D455 V456 G470 V471 Q472	L98-D455 HydrophobicContact CB-CB 4.1Å; L98-D455 HydrophobicContact CD2-CB 4.36Å; L98-V456 CarbonylContact C-O 3.54Å; L98-V456 WeakPolarHBondContact CA-O 3.06Å; L98-G470 PolarHBondContact N-O 3.11Å; L98-V471 HydrophobicContact CB-CG1 4.27Å; L98-V471 HydrophobicContact CB-CG2 4.21Å; L98-V471 HydrophobicContact CD1-CG2 4.34Å; L98-V471 CarbonylContact O-C 3.55Å; L98-V471 WeakPolarHBondContact O-CA 3.5Å; L98-Q472 PolarHBondContact O-N 3.16Å
99	S	98.9	Very high	98.8	Very high	2 Å²	2	52 Å²	52	1%	0.014	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	119.5	-177.6	172.6	0	0	0	0	110.1	T101 D455 V456 Q474	S99-T101 WeakPolarHBondContact O-CG2 3.38Å; S99-T101 PolarHBondContact O-N 3.13Å; S99-D455 VanDerWaalsContact O-CA 3.3Å; S99-D455 WeakPolarHBondContact O-CA 3.47Å; S99-V456 PolarHBondContact N-O 2.63Å; S99-V456 PolarHBondContact O-N 3.15Å; S99-Q474 VanDerWaalsContact OG-CA 3.26Å; S99-Q474 WeakPolarHBondContact OG-CA 3.21Å; S99-Q474 VanDerWaalsContact OG-CB 3.3Å; S99-Q474 WeakPolarHBondContact OG-CB 3.37Å
100	K	98.9	Very high	98.8	Very high	66 Å²	66	51 Å²	51	29%	0.287	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	115.8	177.5	-66	178.9	-73.6	165.3	0	110.7	Y102 K123 D455 V471 Q472 E473 Q474	K100-Y102 HydrophobicContact CB-CD1 4.23Å; K100-Y102 HydrophobicContact CB-CE1 4.29Å; K100-K123 PolarHBondContact O-NZ 2.9Å; K100-D455 WeakPolarHBondContact CG-OD1 3.24Å; K100-V471 HydrophobicContact CD-CG1 4.16Å; K100-V471 HydrophobicContact CG-CG1 3.98Å; K100-Q472 PolarHBondContact N-O 3.34Å; K100-E473 VanDerWaalsContact CE-OE1 3.24Å; K100-E473 WeakPolarHBondContact CE-OE1 3.13Å; K100-E473 IonicContact NZ-OE1 3.6Å; K100-E473 PolarHBondContact NZ-OE1 3.32Å; K100-Q474 WeakPolarHBondContact O-CB 3.36Å; K100-Q474 PolarHBondContact O-N 2.88Å
101	T	98.9	Very high	98.8	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.006	27%	0.265	C	S	.	.			trans	-94.3	-12.7	-163.1	60.8	0	0	0	0	115.3	S99 N103 P109 D376 E454 V456	S99-T101 WeakPolarHBondContact O-CG2 3.38Å; S99-T101 PolarHBondContact O-N 3.13Å; T101-N103 PolarHBondContact O-N 3.16Å; T101-P109 WeakPolarHBondContact O-CB 3.48Å; T101-P109 WeakPolarHBondContact O-CG 3.37Å; T101-D376 WeakPolarHBondContact CG2-O 3.4Å; T101-E454 PolarHBondContact OG1-O 2.93Å; T101-V456 HydrophobicContact CG2-CB 4.36Å; T101-V456 HydrophobicContact CG2-CG1 3.98Å; T101-V456 HydrophobicContact CG2-CG2 3.64Å
102	Y	98.9	Very high	98.8	Very high	99 Å²	99	48.7 Å²	48.7	39%	0.388	25%	0.253	S	S	.	.			trans	-47	134.4	-176.7	74.8	-88.1	0	0	0	113.2	K100 K123 E473	K100-Y102 HydrophobicContact CB-CD1 4.23Å; K100-Y102 HydrophobicContact CB-CE1 4.29Å; Y102-K123 HydrophobicContact CE2-CD 4.06Å; Y102-K123 WeakPolarHBondContact O-CD 3.25Å; Y102-K123 WeakPolarHBondContact O-CE 3.49Å; Y102-K123 PolarHBondContact O-NZ 2.87Å; Y102-E473 WeakPolarHBondContact CE1-OE2 3.43Å; Y102-E473 PolarHBondContact OH-OE1 3.11Å; Y102-E473 PolarHBondContact OH-OE2 3.32Å
103	N	98.9	Very high	98.8	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.016	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-77.3	162	166.1	-65.4	155.2	0	0	0	109.5	T101 D105 R106 P109 D110 G113 T114 A124	T101-N103 PolarHBondContact O-N 3.16Å; N103-D105 PolarHBondContact O-N 3.44Å; N103-D105 VanDerWaalsContact O-N 3.15Å; N103-R106 HydrophobicContact CB-CB 4.38Å; N103-R106 PolarHBondContact N-O 3.5Å; N103-R106 PolarHBondContact O-N 2.84Å; N103-P109 HydrophobicContact CB-CB 4.31Å; N103-P109 VanDerWaalsContact ND2-CB 3.35Å; N103-P109 WeakPolarHBondContact ND2-CB 3.27Å; N103-P109 VanDerWaalsContact OD1-CA 3.29Å; N103-P109 WeakPolarHBondContact OD1-CA 3.38Å; N103-P109 WeakPolarHBondContact OD1-CB 3.19Å; N103-D110 PolarHBondContact OD1-N 3.35Å; N103-D110 VanDerWaalsContact OD1-N 3.08Å; N103-D110 PolarHBondContact OD1-OD1 3.21Å; N103-G113 WeakPolarHBondContact ND2-CA 3.18Å; N103-T114 PolarHBondContact ND2-N 3.12Å; N103-A124 WeakPolarHBondContact CB-O 3.45Å
104	V	98.9	Very high	98.9	Very high	80 Å²	80	45.6 Å²	45.6	49%	0.485	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-35	-176.7	177.1	0	0	0	0	112.2	K123 A124 A133	V104-K123 HydrophobicContact CG2-CB 3.69Å; V104-A124 PolarHBondContact N-O 3.28Å; V104-A133 HydrophobicContact CB-CB 3.75Å; V104-A133 HydrophobicContact CG1-CB 3.76Å; V104-A133 HydrophobicContact CG2-CB 3.68Å
105	D	98.8	Very high	98.9	Very high	81 Å²	81	43 Å²	43	43%	0.433	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-3.3	-177.8	69.8	-32	0	0	0	114.7	N103 N125 Y126	N103-D105 PolarHBondContact O-N 3.44Å; N103-D105 VanDerWaalsContact O-N 3.15Å; D105-N125 VanDerWaalsContact OD1-CA 3.3Å; D105-N125 WeakPolarHBondContact OD1-CA 3.25Å; D105-Y126 PolarHBondContact OD1-N 3.38Å
106	R	98.6	Very high	98.9	Very high	140 Å²	140	41.2 Å²	41.2	53%	0.528	20%	0.203	S	C	.	.	B	Isolated β-bridge	trans	-143.6	129.3	-177.7	-60.8	-68.6	-175.1	151.3	4	112.4	N103 V108 Y126	N103-R106 HydrophobicContact CB-CB 4.38Å; N103-R106 PolarHBondContact N-O 3.5Å; N103-R106 PolarHBondContact O-N 2.84Å; R106-V108 WeakPolarHBondContact CB-O 3.19Å; R106-Y126 HydrophobicContact CG-CD2 4.1Å; R106-Y126 HydrophobicContact CG-CG 4.01Å
107	Q	98.8	Very high	98.9	Very high	170 Å²	170	37.6 Å²	37.6	79%	0.794	18%	0.181	S	C	*	.	S	Bend	trans	-70.1	-39	176.6	-66.8	173.7	59.1	0	0	112.4
108	V	98.8	Very high	98.9	Very high	71 Å²	71	37.4 Å²	37.4	43%	0.43	18%	0.179	S	C	.	.	S	Bend	trans	-96.1	113.3	166.8	-179.4	0	0	0	0	106.9	R106 H451	R106-V108 WeakPolarHBondContact CB-O 3.19Å; V108-H451 HydrophobicContact CG1-CB 3.87Å; V108-H451 VanDerWaalsContact CG1-O 3.29Å; V108-H451 WeakPolarHBondContact CG1-O 3.33Å
109	P	98.8	Very high	98.9	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.006	16%	0.163	C	C	.	.			trans	-83.6	178.4	-170.2	37.5	-40.5	0	0	0	113	T101 N103 T114 H377 H451	T101-P109 WeakPolarHBondContact O-CB 3.48Å; T101-P109 WeakPolarHBondContact O-CG 3.37Å; N103-P109 HydrophobicContact CB-CB 4.31Å; N103-P109 VanDerWaalsContact ND2-CB 3.35Å; N103-P109 WeakPolarHBondContact ND2-CB 3.27Å; N103-P109 VanDerWaalsContact OD1-CA 3.29Å; N103-P109 WeakPolarHBondContact OD1-CA 3.38Å; N103-P109 WeakPolarHBondContact OD1-CB 3.19Å; P109-T114 HydrophobicContact CB-CG2 3.58Å; P109-T114 HydrophobicContact CG-CG2 3.74Å; P109-H377 HydrophobicContact CG-CB 3.71Å; P109-H451 PolarHBondContact O-ND1 3.46Å
110	D	98.8	Very high	98.9	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.011	16%	0.164	C	C	.	.			trans	-113.2	170.3	154.5	81.7	-49.9	0	0	0	112.8	N103 A112 G113 T114 Y126 Q127 R185	N103-D110 PolarHBondContact OD1-N 3.35Å; N103-D110 VanDerWaalsContact OD1-N 3.08Å; N103-D110 PolarHBondContact OD1-OD1 3.21Å; D110-A112 PolarHBondContact O-N 3.47Å; D110-A112 WeakPolarHBondContact OD2-CB 3.47Å; D110-A112 PolarHBondContact OD2-N 3.43Å; D110-A112 VanDerWaalsContact OD2-N 3.07Å; D110-G113 PolarHBondContact O-N 2.96Å; D110-G113 PolarHBondContact OD1-N 3.12Å; D110-T114 WeakPolarHBondContact O-CG2 3.33Å; D110-T114 PolarHBondContact O-N 3.44Å; D110-T114 PolarHBondContact O-OG1 2.87Å; D110-Y126 HydrophobicContact CB-CD2 3.62Å; D110-Y126 HydrophobicContact CB-CE2 3.45Å; D110-Y126 VanDerWaalsContact CB-CE2 3.45Å; D110-Y126 WeakPolarHBondContact OD1-CA 3.48Å; D110-Q127 VanDerWaalsContact CG-N 3.33Å; D110-Q127 PolarHBondContact OD1-N 3.44Å; D110-Q127 WeakPolarHBondContact OD2-CA 3.34Å; D110-Q127 PolarHBondContact OD2-N 2.95Å; D110-R185 VanDerWaalsContact OD2-CD 3.31Å; D110-R185 WeakPolarHBondContact OD2-CD 3.2Å; D110-R185 IonicContact OD2-CZ 3.84Å; D110-R185 IonicContact OD2-NH1 3.42Å; D110-R185 PolarHBondContact OD2-NH1 2.71Å
111	S	98.9	Very high	98.9	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.007	15%	0.154	C	C	.	.	H	α-helix	trans	-57.3	-28.4	177.1	-12.5	0	0	0	0	114.2	T114 A115 R185 D376	S111-T114 VanDerWaalsContact C-OG1 3.23Å; S111-T114 WeakPolarHBondContact CA-OG1 3.46Å; S111-T114 PolarHBondContact O-OG1 2.89Å; S111-A115 WeakPolarHBondContact O-CB 3.35Å; S111-A115 PolarHBondContact O-N 3.31Å; S111-R185 PolarHBondContact OG-NH1 3.4Å; S111-D376 VanDerWaalsContact CA-OD2 3.29Å; S111-D376 WeakPolarHBondContact CA-OD2 3.43Å; S111-D376 VanDerWaalsContact CB-OD2 3.31Å; S111-D376 WeakPolarHBondContact CB-OD2 3.45Å
112	A	98.9	Very high	98.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-73.9	-50.4	-179.6	0	0	0	0	0	112.8	D110 T114 A115 T116 T128 I129 A173 R185	D110-A112 PolarHBondContact O-N 3.47Å; D110-A112 WeakPolarHBondContact OD2-CB 3.47Å; D110-A112 PolarHBondContact OD2-N 3.43Å; D110-A112 VanDerWaalsContact OD2-N 3.07Å; A112-T114 VanDerWaalsContact C-N 3.28Å; A112-T114 PolarHBondContact O-N 2.84Å; A112-A115 PolarHBondContact O-N 3.43Å; A112-T116 PolarHBondContact O-N 2.86Å; A112-T116 PolarHBondContact O-OG1 2.79Å; A112-T116 VanDerWaalsContact O-OG1 3.14Å; A112-T128 CarbonylContact C-O 3.52Å; A112-T128 WeakPolarHBondContact CB-O 3.33Å; A112-I129 HydrophobicContact CB-CD1 4.37Å; A112-I129 HydrophobicContact CB-CG1 3.55Å; A112-A173 HydrophobicContact CB-CB 3.98Å; A112-R185 HydrophobicContact CB-CB 4Å; A112-R185 HydrophobicContact CB-CG 4.48Å
113	G	98.9	Very high	98.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-64.5	-36.1	179	0	0	0	0	0	111.9	N103 D110 A117 T128	N103-G113 WeakPolarHBondContact ND2-CA 3.18Å; D110-G113 PolarHBondContact O-N 2.96Å; D110-G113 PolarHBondContact OD1-N 3.12Å; G113-A117 PolarHBondContact O-N 3.14Å; G113-T128 PolarHBondContact N-O 3.25Å
114	T	98.9	Very high	98.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-71.3	-42	176.1	52.5	0	0	0	0	111.7	N103 P109 D110 S111 A112 T116 A117 Y118 D376 Q474	N103-T114 PolarHBondContact ND2-N 3.12Å; P109-T114 HydrophobicContact CB-CG2 3.58Å; P109-T114 HydrophobicContact CG-CG2 3.74Å; D110-T114 WeakPolarHBondContact O-CG2 3.33Å; D110-T114 PolarHBondContact O-N 3.44Å; D110-T114 PolarHBondContact O-OG1 2.87Å; S111-T114 VanDerWaalsContact C-OG1 3.23Å; S111-T114 WeakPolarHBondContact CA-OG1 3.46Å; S111-T114 PolarHBondContact O-OG1 2.89Å; A112-T114 VanDerWaalsContact C-N 3.28Å; A112-T114 PolarHBondContact O-N 2.84Å; T114-T116 PolarHBondContact O-N 2.85Å; T114-A117 CarbonylContact O-C 3.59Å; T114-A117 WeakPolarHBondContact O-CA 3.27Å; T114-A117 VanDerWaalsContact O-CB 3.27Å; T114-A117 WeakPolarHBondContact O-CB 3.34Å; T114-A117 PolarHBondContact O-N 3.37Å; T114-Y118 VanDerWaalsContact C-CD1 3.44Å; T114-Y118 VanDerWaalsContact C-CE1 3.43Å; T114-Y118 WeakPolarHBondContact O-CD1 3.44Å; T114-Y118 WeakPolarHBondContact O-CE1 3.38Å; T114-Y118 PolarHBondContact O-N 3.35Å; T114-D376 VanDerWaalsContact CG2-O 3.26Å; T114-D376 WeakPolarHBondContact CG2-O 3.45Å; T114-Q474 VanDerWaalsContact CA-OE1 3.3Å; T114-Q474 VanDerWaalsContact CG2-OE1 3.32Å
115	A	98.9	Very high	98.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-53.7	-42.3	174.3	0	0	0	0	0	112	S111 A112 A117 Y118 L119	S111-A115 WeakPolarHBondContact O-CB 3.35Å; S111-A115 PolarHBondContact O-N 3.31Å; A112-A115 PolarHBondContact O-N 3.43Å; A115-A117 VanDerWaalsContact C-N 3.29Å; A115-A117 PolarHBondContact O-N 3.32Å; A115-Y118 VanDerWaalsContact CA-CZ 3.44Å; A115-Y118 HydrophobicContact CB-CE1 4.16Å; A115-L119 HydrophobicContact CB-CD1 4.2Å; A115-L119 WeakPolarHBondContact O-CB 3.41Å; A115-L119 WeakPolarHBondContact O-CG 3.41Å; A115-L119 PolarHBondContact O-N 3.02Å
116	T	98.9	Very high	98.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.128	C	C	.	.	I	π-helix	trans	-62.7	-37.4	174.8	-48.9	0	0	0	0	112	A112 T114 C120 G121 V122 A124 G130 V148	A112-T116 PolarHBondContact O-N 2.86Å; A112-T116 PolarHBondContact O-OG1 2.79Å; A112-T116 VanDerWaalsContact O-OG1 3.14Å; T114-T116 PolarHBondContact O-N 2.85Å; T116-C120 HydrophobicContact CG2-CB 4.21Å; T116-C120 WeakPolarHBondContact O-CA 2.96Å; T116-C120 WeakPolarHBondContact O-CB 3.36Å; T116-C120 PolarHBondContact O-N 3.29Å; T116-G121 PolarHBondContact O-N 3.05Å; T116-V122 CarbonylContact C-O 3.56Å; T116-V122 WeakPolarHBondContact CG2-O 3.38Å; T116-A124 HydrophobicContact CG2-CB 3.82Å; T116-G130 PolarHBondContact OG1-N 3.21Å; T116-V148 HydrophobicContact CG2-CG2 3.47Å; T116-V148 VanDerWaalsContact CG2-CG2 3.47Å
117	A	98.9	Very high	98.9	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.008	11%	0.11	C	C	.	.	I	π-helix	trans	-65.4	-60.6	176.4	0	0	0	0	0	111.5	G113 T114 A115 L119 G121 V122 K123 Q474 S475	G113-A117 PolarHBondContact O-N 3.14Å; T114-A117 CarbonylContact O-C 3.59Å; T114-A117 WeakPolarHBondContact O-CA 3.27Å; T114-A117 VanDerWaalsContact O-CB 3.27Å; T114-A117 WeakPolarHBondContact O-CB 3.34Å; T114-A117 PolarHBondContact O-N 3.37Å; A115-A117 VanDerWaalsContact C-N 3.29Å; A115-A117 PolarHBondContact O-N 3.32Å; A117-L119 PolarHBondContact O-N 3.11Å; A117-G121 WeakPolarHBondContact O-CA 3.15Å; A117-G121 PolarHBondContact O-N 3.34Å; A117-V122 WeakPolarHBondContact CA-O 3.33Å; A117-V122 PolarHBondContact N-O 3.4Å; A117-K123 HydrophobicContact CB-CG 3.99Å; A117-Q474 HydrophobicContact CB-CB 4.21Å; A117-Q474 HydrophobicContact CB-CG 4.1Å; A117-S475 WeakPolarHBondContact O-CA 3.44Å
118	Y	98.9	Very high	98.9	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.072	C	C	.	.	I	π-helix	trans	-78.2	-15.9	-171.9	66.4	-104.5	0	0	0	114.3	L57 L59 T114 A115 S174 F328 D376 Q474 A478	L57-Y118 HydrophobicContact CD2-CD2 3.63Å; L57-Y118 HydrophobicContact CD2-CE2 4.1Å; L59-Y118 HydrophobicContact CD2-CD1 4.34Å; L59-Y118 HydrophobicContact CD2-CD2 4.36Å; L59-Y118 HydrophobicContact CD2-CE1 3.97Å; L59-Y118 HydrophobicContact CD2-CE2 3.98Å; L59-Y118 HydrophobicContact CG-CE1 4.36Å; L59-Y118 HydrophobicContact CG-CE2 4.02Å; T114-Y118 VanDerWaalsContact C-CD1 3.44Å; T114-Y118 VanDerWaalsContact C-CE1 3.43Å; T114-Y118 WeakPolarHBondContact O-CD1 3.44Å; T114-Y118 WeakPolarHBondContact O-CE1 3.38Å; T114-Y118 PolarHBondContact O-N 3.35Å; A115-Y118 VanDerWaalsContact CA-CZ 3.44Å; A115-Y118 HydrophobicContact CB-CE1 4.16Å; Y118-S174 WeakPolarHBondContact OH-CB 3.49Å; Y118-F328 AromaticContact CE2-CE2 3.94Å; Y118-F328 HydrophobicContact CE2-CE2 3.94Å; Y118-D376 HydrophobicContact CD1-CB 4.24Å; Y118-D376 HydrophobicContact CE1-CB 3.55Å; Y118-Q474 HydrophobicContact CD1-CG 4.4Å; Y118-A478 WeakPolarHBondContact O-CA 3.26Å; Y118-A478 WeakPolarHBondContact O-CB 3.26Å; Y118-A478 PolarHBondContact O-N 2.87Å
119	L	99	Very high	98.9	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.005	5%	0.052	C	C	.	.	I	π-helix	trans	-103.2	-31.6	176.8	-58.8	169.1	0	0	0	113.6	L57 A115 A117 S150 V151 S174 G177 T178 Y326 F328	L57-L119 HydrophobicContact CD2-CD2 3.69Å; A115-L119 HydrophobicContact CB-CD1 4.2Å; A115-L119 WeakPolarHBondContact O-CB 3.41Å; A115-L119 WeakPolarHBondContact O-CG 3.41Å; A115-L119 PolarHBondContact O-N 3.02Å; A117-L119 PolarHBondContact O-N 3.11Å; L119-S150 CarbonylContact O-C 3.34Å; L119-S150 VanDerWaalsContact O-CA 3.25Å; L119-S150 WeakPolarHBondContact O-CA 3.31Å; L119-V151 WeakPolarHBondContact O-CG2 3.44Å; L119-V151 PolarHBondContact O-N 2.62Å; L119-S174 VanDerWaalsContact CD1-O 3.29Å; L119-S174 WeakPolarHBondContact CD1-O 3.26Å; L119-G177 VanDerWaalsContact CD1-C 3.4Å; L119-T178 HydrophobicContact CD1-CG2 3.64Å; L119-T178 HydrophobicContact CD2-CG2 4Å; L119-T178 HydrophobicContact CG-CG2 4.37Å; L119-Y326 WeakPolarHBondContact CD2-OH 3.17Å; L119-F328 HydrophobicContact CD2-CD2 4.01Å; L119-F328 HydrophobicContact CD2-CE2 4.29Å
120	C	98.9	Very high	98.9	Very high	7 Å²	7	10.2 Å²	10.2	5%	0.047	5%	0.051	C	C	.	.	I	π-helix	trans	-106.8	-21.5	-178.6	-50.8	0	0	0	0	113.1	T116 V148 R154	T116-C120 HydrophobicContact CG2-CB 4.21Å; T116-C120 WeakPolarHBondContact O-CA 2.96Å; T116-C120 WeakPolarHBondContact O-CB 3.36Å; T116-C120 PolarHBondContact O-N 3.29Å; C120-V148 HydrophobicContact CB-CB 4.18Å; C120-V148 HydrophobicContact CB-CG2 3.74Å; C120-V148 PolarHBondContact SG-O 2.82Å; C120-V148 VanDerWaalsContact SG-O 3.35Å; C120-R154 PolarHBondContact O-NH2 3.48Å
121	G	98.9	Very high	98.9	Very high	6 Å²	6	10.1 Å²	10.1	6%	0.062	5%	0.051	C	C	.	.	S	Bend	trans	84.4	19.6	-178.7	0	0	0	0	0	113.6	T116 A117 A478 H479	T116-G121 PolarHBondContact O-N 3.05Å; A117-G121 WeakPolarHBondContact O-CA 3.15Å; A117-G121 PolarHBondContact O-N 3.34Å; G121-A478 VanDerWaalsContact CA-CB 3.42Å; G121-H479 PolarHBondContact O-NE2 2.87Å
122	V	98.9	Very high	98.9	Very high	55 Å²	55	11.3 Å²	11.3	33%	0.333	6%	0.059	S	C	.	.	S	Bend	trans	-135.2	125.8	179.6	-179.9	0	0	0	0	108.6	T116 A117 V148	T116-V122 CarbonylContact C-O 3.56Å; T116-V122 WeakPolarHBondContact CG2-O 3.38Å; A117-V122 WeakPolarHBondContact CA-O 3.33Å; A117-V122 PolarHBondContact N-O 3.4Å; V122-V148 HydrophobicContact CB-CB 4.46Å; V122-V148 HydrophobicContact CB-CG1 4.22Å; V122-V148 HydrophobicContact CB-CG2 4.33Å; V122-V148 HydrophobicContact CG1-CG1 4.29Å; V122-V148 HydrophobicContact CG2-CB 4.31Å; V122-V148 HydrophobicContact CG2-CG1 4.01Å
123	K	98.9	Very high	98.9	Very high	24 Å²	24	12.5 Å²	12.5	10%	0.104	7%	0.069	C	C	.	.			trans	-69.1	140.7	172.2	-75.9	-165.8	161.2	-172.8	0	110.7	K100 Y102 V104 A117 E473	K100-K123 PolarHBondContact O-NZ 2.9Å; Y102-K123 HydrophobicContact CE2-CD 4.06Å; Y102-K123 WeakPolarHBondContact O-CD 3.25Å; Y102-K123 WeakPolarHBondContact O-CE 3.49Å; Y102-K123 PolarHBondContact O-NZ 2.87Å; V104-K123 HydrophobicContact CG2-CB 3.69Å; A117-K123 HydrophobicContact CB-CG 3.99Å; K123-E473 WeakPolarHBondContact CE-OE2 3.37Å; K123-E473 IonicContact NZ-OE2 2.92Å; K123-E473 PolarHBondContact NZ-OE2 3.42Å
124	A	98.9	Very high	98.9	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.091	C	C	.	.			trans	-123.7	179.4	-175.7	0	0	0	0	0	111.7	N103 V104 T116 L131	N103-A124 WeakPolarHBondContact CB-O 3.45Å; V104-A124 PolarHBondContact N-O 3.28Å; T116-A124 HydrophobicContact CG2-CB 3.82Å; A124-L131 WeakPolarHBondContact CB-O 3.35Å
125	N	98.9	Very high	98.9	Very high	10 Å²	10	15.1 Å²	15.1	5%	0.053	9%	0.091	C	C	.	.			trans	-84.7	152.6	172.8	-64.8	-35	0	0	0	110.5	D105 T128 A133 A135 R136	D105-N125 VanDerWaalsContact OD1-CA 3.3Å; D105-N125 WeakPolarHBondContact OD1-CA 3.25Å; N125-T128 HydrophobicContact CB-CG2 4.4Å; N125-T128 PolarHBondContact O-N 3.37Å; N125-T128 PolarHBondContact O-OG1 2.86Å; N125-A133 WeakPolarHBondContact ND2-CA 3.31Å; N125-A133 PolarHBondContact ND2-O 3.43Å; N125-A135 PolarHBondContact ND2-O 3.45Å; N125-R136 PolarHBondContact ND2-NH1 3.42Å
126	Y	98.9	Very high	98.9	Very high	74 Å²	74	20.8 Å²	20.8	29%	0.29	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.3	135.4	173.3	178.7	-97.2	0	0	0	112.2	D105 R106 D110 T128	D105-Y126 PolarHBondContact OD1-N 3.38Å; R106-Y126 HydrophobicContact CG-CD2 4.1Å; R106-Y126 HydrophobicContact CG-CG 4.01Å; D110-Y126 HydrophobicContact CB-CD2 3.62Å; D110-Y126 HydrophobicContact CB-CE2 3.45Å; D110-Y126 VanDerWaalsContact CB-CE2 3.45Å; D110-Y126 WeakPolarHBondContact OD1-CA 3.48Å; Y126-T128 PolarHBondContact O-N 3.38Å
127	Q	98.8	Very high	98.9	Very high	33 Å²	33	24.9 Å²	24.9	15%	0.154	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	64	9.4	179.3	-69	179.2	-11.5	0	0	116.7	D110 Y137 R185	D110-Q127 VanDerWaalsContact CG-N 3.33Å; D110-Q127 PolarHBondContact OD1-N 3.44Å; D110-Q127 WeakPolarHBondContact OD2-CA 3.34Å; D110-Q127 PolarHBondContact OD2-N 2.95Å; Q127-Y137 HydrophobicContact CB-CD2 3.38Å; Q127-Y137 HydrophobicContact CB-CE2 3.47Å; Q127-Y137 VanDerWaalsContact CB-CE2 3.47Å; Q127-Y137 HydrophobicContact CB-CG 4.3Å; Q127-Y137 HydrophobicContact CG-CD2 4.49Å; Q127-Y137 HydrophobicContact CG-CE2 4.26Å; Q127-Y137 PolarHBondContact OE1-OH 2.93Å; Q127-Y137 VanDerWaalsContact OE1-OH 3.13Å; Q127-R185 HydrophobicContact CB-CG 4.21Å; Q127-R185 HydrophobicContact CG-CG 4.2Å; Q127-R185 PolarHBondContact O-N 2.84Å
128	T	98.9	Very high	98.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.147	C	C	.	.			trans	-105.2	141.7	172.8	70	0	0	0	0	111	A112 G113 N125 Y126 T182	A112-T128 CarbonylContact C-O 3.52Å; A112-T128 WeakPolarHBondContact CB-O 3.33Å; G113-T128 PolarHBondContact N-O 3.25Å; N125-T128 HydrophobicContact CB-CG2 4.4Å; N125-T128 PolarHBondContact O-N 3.37Å; N125-T128 PolarHBondContact O-OG1 2.86Å; Y126-T128 PolarHBondContact O-N 3.38Å; T128-T182 WeakPolarHBondContact CA-O 3.29Å
129	I	98.9	Very high	98.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-122.7	129.7	-174.7	-55.8	170.4	0	0	0	108.9	A112 L131 A173 A176 G177 H181 T182 R185 I205	A112-I129 HydrophobicContact CB-CD1 4.37Å; A112-I129 HydrophobicContact CB-CG1 3.55Å; I129-L131 PolarHBondContact O-N 2.59Å; I129-A173 HydrophobicContact CD1-CB 4.11Å; I129-A176 HydrophobicContact CD1-CB 4Å; I129-A176 HydrophobicContact CG2-CB 4.23Å; I129-G177 VanDerWaalsContact CG2-CA 3.45Å; I129-H181 CarbonylContact O-C 3.19Å; I129-H181 WeakPolarHBondContact O-CA 3.07Å; I129-T182 HydrophobicContact CB-CG2 3.84Å; I129-T182 HydrophobicContact CD1-CG2 3.81Å; I129-T182 HydrophobicContact CG1-CG2 4.08Å; I129-T182 PolarHBondContact N-O 2.97Å; I129-T182 PolarHBondContact O-N 2.92Å; I129-R185 HydrophobicContact CD1-CB 3.65Å; I129-R185 HydrophobicContact CG1-CB 4.14Å; I129-I205 HydrophobicContact CD1-CD1 4.19Å
130	G	98.9	Very high	98.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	65.4	21.1	173.6	0	0	0	0	0	113.5	T116 V148 H181	T116-G130 PolarHBondContact OG1-N 3.21Å; G130-V148 VanDerWaalsContact C-CG2 3.48Å; G130-V148 WeakPolarHBondContact O-CG2 3.19Å; G130-V148 PolarHBondContact O-N 3.35Å; G130-H181 PolarHBondContact O-ND1 2.78Å
131	L	98.9	Very high	98.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-123.7	143.9	-179.6	-63.6	176.2	0	0	0	110.8	A124 I129 A135 T143 N146 E147 H181 T182 V183	A124-L131 WeakPolarHBondContact CB-O 3.35Å; I129-L131 PolarHBondContact O-N 2.59Å; L131-A135 HydrophobicContact CB-CB 3.75Å; L131-A135 HydrophobicContact CD1-CB 3.72Å; L131-A135 HydrophobicContact CG-CB 4.28Å; L131-T143 HydrophobicContact CD1-CG2 4.17Å; L131-T143 HydrophobicContact CD2-CG2 3.85Å; L131-N146 CarbonylContact C-O 3.49Å; L131-N146 VanDerWaalsContact CA-O 3.29Å; L131-N146 WeakPolarHBondContact CA-O 3.15Å; L131-N146 HydrophobicContact CD2-CB 4.41Å; L131-E147 HydrophobicContact CD2-CG 4.03Å; L131-H181 HydrophobicContact CD2-CB 4.05Å; L131-T182 WeakPolarHBondContact CD1-O 3Å; L131-V183 HydrophobicContact CD1-CB 4.28Å; L131-V183 HydrophobicContact CD1-CG1 3.42Å; L131-V183 VanDerWaalsContact CD1-CG1 3.42Å
132	S	98.9	Very high	98.8	Very high	26 Å²	26	39.7 Å²	39.7	18%	0.182	20%	0.204	C	C	.	.			trans	-64.3	161.1	169.3	83	0	0	0	0	110.9	A134 A135 N146	S132-A134 PolarHBondContact O-N 3.38Å; S132-A134 PolarHBondContact OG-N 2.94Å; S132-A135 WeakPolarHBondContact O-CB 2.95Å; S132-A135 PolarHBondContact O-N 2.96Å; S132-N146 PolarHBondContact N-O 2.77Å; S132-N146 PolarHBondContact OG-OD1 3.39Å
133	A	98.8	Very high	98.7	Very high	25 Å²	25	37.4 Å²	37.4	21%	0.207	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	1.5	177.2	0	0	0	0	0	114.8	V104 N125 A135 R136	V104-A133 HydrophobicContact CB-CB 3.75Å; V104-A133 HydrophobicContact CG1-CB 3.76Å; V104-A133 HydrophobicContact CG2-CB 3.68Å; N125-A133 WeakPolarHBondContact ND2-CA 3.31Å; N125-A133 PolarHBondContact ND2-O 3.43Å; A133-A135 VanDerWaalsContact C-N 3.34Å; A133-R136 PolarHBondContact O-NH1 3.13Å
134	A	98.8	Very high	98.7	Very high	56 Å²	56	42.2 Å²	42.2	46%	0.463	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-25.6	166.7	0	0	0	0	0	112.3	S132 R136 N146	S132-A134 PolarHBondContact O-N 3.38Å; S132-A134 PolarHBondContact OG-N 2.94Å; A134-R136 PolarHBondContact O-NH1 2.79Å; A134-R136 VanDerWaalsContact O-NH1 3.11Å; A134-N146 VanDerWaalsContact CB-OD1 3.27Å; A134-N146 WeakPolarHBondContact CB-OD1 3.15Å
135	A	98.8	Very high	98.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.248	C	C	.	.	S	Bend	trans	-68.8	157.4	171.7	0	0	0	0	0	111.7	N125 L131 S132 A133 T142 N146 V183	N125-A135 PolarHBondContact ND2-O 3.45Å; L131-A135 HydrophobicContact CB-CB 3.75Å; L131-A135 HydrophobicContact CD1-CB 3.72Å; L131-A135 HydrophobicContact CG-CB 4.28Å; S132-A135 WeakPolarHBondContact O-CB 2.95Å; S132-A135 PolarHBondContact O-N 2.96Å; A133-A135 VanDerWaalsContact C-N 3.34Å; A135-T142 WeakPolarHBondContact CB-O 3.45Å; A135-N146 HydrophobicContact CB-CB 4.16Å; A135-V183 HydrophobicContact CB-CG1 4.2Å
136	R	98.8	Very high	98.7	Very high	118 Å²	118	46.8 Å²	46.8	45%	0.445	25%	0.254	S	S	.	.			trans	-124.6	134.6	-179.5	-67	-67.8	175.7	-87.8	2.8	110.5	N125 A133 A134 N138 Q139 T142 V183	N125-R136 PolarHBondContact ND2-NH1 3.42Å; A133-R136 PolarHBondContact O-NH1 3.13Å; A134-R136 PolarHBondContact O-NH1 2.79Å; A134-R136 VanDerWaalsContact O-NH1 3.11Å; R136-N138 PolarHBondContact O-N 3.44Å; R136-Q139 HydrophobicContact CB-CB 4.08Å; R136-Q139 HydrophobicContact CB-CG 4.1Å; R136-Q139 PolarHBondContact O-N 3.18Å; R136-Q139 VanDerWaalsContact O-N 3.09Å; R136-T142 HydrophobicContact CB-CG2 4.2Å; R136-T142 HydrophobicContact CG-CG2 4.35Å; R136-T142 PolarHBondContact N-OG1 2.9Å; R136-T142 PolarHBondContact O-OG1 3.29Å; R136-V183 WeakPolarHBondContact O-CB 3.39Å; R136-V183 WeakPolarHBondContact O-CG1 3.44Å
137	Y	98.8	Very high	98.7	Very high	86 Å²	86	46.6 Å²	46.6	34%	0.337	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	130.1	178.8	171.4	-109.5	0	0	0	111.4	Q127 Q139 V183 N184	Q127-Y137 HydrophobicContact CB-CD2 3.38Å; Q127-Y137 HydrophobicContact CB-CE2 3.47Å; Q127-Y137 VanDerWaalsContact CB-CE2 3.47Å; Q127-Y137 HydrophobicContact CB-CG 4.3Å; Q127-Y137 HydrophobicContact CG-CD2 4.49Å; Q127-Y137 HydrophobicContact CG-CE2 4.26Å; Q127-Y137 PolarHBondContact OE1-OH 2.93Å; Q127-Y137 VanDerWaalsContact OE1-OH 3.13Å; Y137-Q139 PolarHBondContact O-N 3.18Å; Y137-Q139 VanDerWaalsContact O-N 3.16Å; Y137-V183 CarbonylContact C-O 3.49Å; Y137-V183 VanDerWaalsContact CA-O 3.31Å; Y137-V183 WeakPolarHBondContact CA-O 3Å; Y137-V183 VanDerWaalsContact CD2-O 3.26Å; Y137-V183 WeakPolarHBondContact CD2-O 3.35Å; Y137-N184 HydrophobicContact CE2-CB 4.04Å; Y137-N184 WeakPolarHBondContact CE2-OD1 3.37Å; Y137-N184 PolarHBondContact OH-ND2 3.22Å
138	N	98.4	Very high	98.7	Very high	75 Å²	75	46.1 Å²	46.1	40%	0.401	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	17.1	177.4	-157	39.9	0	0	0	115.6	R136 V183 N184 W187	R136-N138 PolarHBondContact O-N 3.44Å; N138-V183 PolarHBondContact N-O 3.22Å; N138-N184 PolarHBondContact OD1-ND2 3.08Å; N138-W187 WeakPolarHBondContact OD1-CZ2 3.18Å
139	Q	98.6	Very high	98.7	Very high	99 Å²	99	49.7 Å²	49.7	46%	0.463	27%	0.274	S	S	.	.			trans	-112.6	89.5	177.2	-63	-177	26.2	0	0	110.7	R136 Y137 N141 T142	R136-Q139 HydrophobicContact CB-CB 4.08Å; R136-Q139 HydrophobicContact CB-CG 4.1Å; R136-Q139 PolarHBondContact O-N 3.18Å; R136-Q139 VanDerWaalsContact O-N 3.09Å; Y137-Q139 PolarHBondContact O-N 3.18Å; Y137-Q139 VanDerWaalsContact O-N 3.16Å; Q139-N141 PolarHBondContact O-N 3.07Å; Q139-N141 VanDerWaalsContact O-N 3.17Å; Q139-T142 HydrophobicContact CB-CG2 3.94Å; Q139-T142 PolarHBondContact O-N 3.43Å; Q139-T142 PolarHBondContact O-OG1 2.75Å
140	C	98.5	Very high	98.7	Very high	6 Å²	6	49.9 Å²	49.9	4%	0.041	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-53.1	-41	-173.1	176.6	0	0	0	0	113.3	T142 T143 W187 A197 D200 C202	C140-T142 PolarHBondContact O-N 3Å; C140-T143 VanDerWaalsContact O-CB 3.25Å; C140-T143 WeakPolarHBondContact O-CB 3.47Å; C140-T143 PolarHBondContact O-N 2.99Å; C140-T143 PolarHBondContact O-OG1 3.37Å; C140-W187 HydrophobicContact CB-CH2 4.1Å; C140-A197 HydrophobicContact CB-CB 3.86Å; C140-A197 PolarHBondContact SG-O 2.89Å; C140-D200 HydrophobicContact CB-CB 4.21Å; C140-D200 VanDerWaalsContact SG-CB 3.57Å; C140-C202 WeakPolarHBondContact CA-SG 3.31Å; C140-C202 HydrophobicContact CB-CB 4.05Å; C140-C202 WeakPolarHBondContact CB-SG 3.34Å; C140-C202 WeakPolarHBondContact SG-CB 3.38Å; C140-C202 PolarHBondContact SG-N 2.94Å; C140-C202 VanDerWaalsContact SG-N 3.45Å; C140-C202 CovalentContact SG-SG 2.02Å; C140-C202 PolarHBondContact SG-SG 3.42Å
141	N	98	Very high	98.7	Very high	118 Å²	118	49.9 Å²	49.9	63%	0.631	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-61.6	-9.9	178.4	66.4	-10.9	0	0	0	114.9	Q139	Q139-N141 PolarHBondContact O-N 3.07Å; Q139-N141 VanDerWaalsContact O-N 3.17Å
142	T	98.7	Very high	98.7	Very high	28 Å²	28	49.9 Å²	49.9	17%	0.172	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-97.4	5	174.3	69.7	0	0	0	0	113.7	A135 R136 Q139 C140 N146	A135-T142 WeakPolarHBondContact CB-O 3.45Å; R136-T142 HydrophobicContact CB-CG2 4.2Å; R136-T142 HydrophobicContact CG-CG2 4.35Å; R136-T142 PolarHBondContact N-OG1 2.9Å; R136-T142 PolarHBondContact O-OG1 3.29Å; Q139-T142 HydrophobicContact CB-CG2 3.94Å; Q139-T142 PolarHBondContact O-N 3.43Å; Q139-T142 PolarHBondContact O-OG1 2.75Å; C140-T142 PolarHBondContact O-N 3Å; T142-N146 PolarHBondContact O-ND2 3.09Å
143	T	98.6	Very high	98.7	Very high	7 Å²	7	50.4 Å²	50.4	4%	0.043	28%	0.276	C	S	.	.			trans	-73.5	-54.1	-179.8	-51.1	0	0	0	0	111.3	L131 C140 G145 N146 V183 C202	L131-T143 HydrophobicContact CD1-CG2 4.17Å; L131-T143 HydrophobicContact CD2-CG2 3.85Å; C140-T143 VanDerWaalsContact O-CB 3.25Å; C140-T143 WeakPolarHBondContact O-CB 3.47Å; C140-T143 PolarHBondContact O-N 2.99Å; C140-T143 PolarHBondContact O-OG1 3.37Å; T143-G145 PolarHBondContact O-N 3.04Å; T143-N146 WeakPolarHBondContact O-CB 3.19Å; T143-N146 PolarHBondContact O-N 3.19Å; T143-V183 WeakPolarHBondContact OG1-CG1 3.28Å; T143-C202 PolarHBondContact OG1-SG 3Å
144	H	98.2	Very high	98.7	Very high	125 Å²	125	50.1 Å²	50.1	58%	0.579	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	130.8	-168.7	-65.7	-49.5	0	0	0	113.4	N146 E147	H144-N146 VanDerWaalsContact C-N 3.28Å; H144-E147 WeakPolarHBondContact CA-OE1 3.43Å; H144-E147 IonicContact ND1-OE1 3.82Å; H144-E147 PolarHBondContact ND1-OE1 3.14Å
145	G	98.4	Very high	98.7	Very high	73 Å²	73	47.5 Å²	47.5	75%	0.753	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	87	-5.6	-175	0	0	0	0	0	113.6	T143 E147	T143-G145 PolarHBondContact O-N 3.04Å; G145-E147 WeakPolarHBondContact CA-OE2 3.4Å; G145-E147 PolarHBondContact N-OE2 3.25Å
146	N	98.9	Very high	98.7	Very high	33 Å²	33	49.6 Å²	49.6	18%	0.176	26%	0.256	C	S	.	.			trans	-109.2	1.6	178.8	-65	-42	0	0	0	112.9	L131 S132 A134 A135 T142 T143 H144 V148	L131-N146 CarbonylContact C-O 3.49Å; L131-N146 VanDerWaalsContact CA-O 3.29Å; L131-N146 WeakPolarHBondContact CA-O 3.15Å; L131-N146 HydrophobicContact CD2-CB 4.41Å; S132-N146 PolarHBondContact N-O 2.77Å; S132-N146 PolarHBondContact OG-OD1 3.39Å; A134-N146 VanDerWaalsContact CB-OD1 3.27Å; A134-N146 WeakPolarHBondContact CB-OD1 3.15Å; A135-N146 HydrophobicContact CB-CB 4.16Å; T142-N146 PolarHBondContact O-ND2 3.09Å; T143-N146 WeakPolarHBondContact O-CB 3.19Å; T143-N146 PolarHBondContact O-N 3.19Å; H144-N146 VanDerWaalsContact C-N 3.28Å; N146-V148 PolarHBondContact O-N 3.46Å
147	E	98.9	Very high	98.7	Very high	70 Å²	70	50.5 Å²	50.5	33%	0.327	26%	0.264	S	S	.	.	B	Isolated β-bridge	trans	-61.3	128.7	176.5	-59.2	90.6	159.2	0	0	111.8	L131 H144 G145 H181	L131-E147 HydrophobicContact CD2-CG 4.03Å; H144-E147 WeakPolarHBondContact CA-OE1 3.43Å; H144-E147 IonicContact ND1-OE1 3.82Å; H144-E147 PolarHBondContact ND1-OE1 3.14Å; G145-E147 WeakPolarHBondContact CA-OE2 3.4Å; G145-E147 PolarHBondContact N-OE2 3.25Å; E147-H181 HydrophobicContact CB-CB 4.44Å; E147-H181 HydrophobicContact CG-CB 3.79Å
148	V	98.9	Very high	98.7	Very high	23 Å²	23	48.8 Å²	48.8	14%	0.139	27%	0.268	C	S	.	.			trans	-118.9	126.4	175.8	-66.6	0	0	0	0	110.2	T116 C120 V122 G130 N146 H181	T116-V148 HydrophobicContact CG2-CG2 3.47Å; T116-V148 VanDerWaalsContact CG2-CG2 3.47Å; C120-V148 HydrophobicContact CB-CB 4.18Å; C120-V148 HydrophobicContact CB-CG2 3.74Å; C120-V148 PolarHBondContact SG-O 2.82Å; C120-V148 VanDerWaalsContact SG-O 3.35Å; V122-V148 HydrophobicContact CB-CB 4.46Å; V122-V148 HydrophobicContact CB-CG1 4.22Å; V122-V148 HydrophobicContact CB-CG2 4.33Å; V122-V148 HydrophobicContact CG1-CG1 4.29Å; V122-V148 HydrophobicContact CG2-CB 4.31Å; V122-V148 HydrophobicContact CG2-CG1 4.01Å; G130-V148 VanDerWaalsContact C-CG2 3.48Å; G130-V148 WeakPolarHBondContact O-CG2 3.19Å; G130-V148 PolarHBondContact O-N 3.35Å; N146-V148 PolarHBondContact O-N 3.46Å; V148-H181 PolarHBondContact O-CE1 3.38Å; V148-H181 VanDerWaalsContact O-CE1 3.27Å
149	I	98.9	Very high	98.7	Very high	76 Å²	76	46.7 Å²	46.7	39%	0.39	26%	0.264	S	S	.	.			trans	-83.4	129.6	-167.1	-53.3	-56	0	0	0	111.4	N153 R154	I149-N153 HydrophobicContact CG2-CB 3.65Å; I149-R154 HydrophobicContact CG2-CG 4.1Å; I149-R154 PolarHBondContact O-NE 3.34Å; I149-R154 PolarHBondContact O-NH2 2.93Å
150	S	98.9	Very high	98.7	Very high	4 Å²	4	42.9 Å²	42.9	3%	0.028	25%	0.246	C	C	.	.			trans	-65.7	157.5	178.6	74.2	0	0	0	0	112.7	L119 M152 N153 R154 T178	L119-S150 CarbonylContact O-C 3.34Å; L119-S150 VanDerWaalsContact O-CA 3.25Å; L119-S150 WeakPolarHBondContact O-CA 3.31Å; S150-M152 PolarHBondContact O-N 2.89Å; S150-N153 PolarHBondContact O-N 2.96Å; S150-N153 WeakPolarHBondContact OG-CB 3.18Å; S150-N153 PolarHBondContact OG-N 2.98Å; S150-R154 WeakPolarHBondContact O-CG 3.34Å; S150-R154 PolarHBondContact O-N 3.23Å; S150-R154 VanDerWaalsContact O-N 3.13Å; S150-R154 PolarHBondContact O-NE 3.09Å; S150-T178 WeakPolarHBondContact CB-O 3.46Å; S150-T178 PolarHBondContact OG-O 3.38Å
151	V	98.9	Very high	98.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-63.4	-33.9	171.4	-179.2	0	0	0	0	110.3	L55 L119 R154 A155 Y326 A478 M481 A482 L487	L55-V151 HydrophobicContact CD1-CG1 4.12Å; L119-V151 WeakPolarHBondContact O-CG2 3.44Å; L119-V151 PolarHBondContact O-N 2.62Å; V151-R154 PolarHBondContact O-N 3.3Å; V151-A155 WeakPolarHBondContact O-CB 3.42Å; V151-A155 PolarHBondContact O-N 3.47Å; V151-Y326 HydrophobicContact CB-CE2 4.03Å; V151-Y326 HydrophobicContact CG1-CD2 4.05Å; V151-Y326 HydrophobicContact CG1-CE2 3.81Å; V151-A478 HydrophobicContact CG2-CB 3.79Å; V151-A478 VanDerWaalsContact CG2-O 3.27Å; V151-A478 WeakPolarHBondContact CG2-O 3.35Å; V151-M481 HydrophobicContact CG1-CB 4.28Å; V151-A482 HydrophobicContact CG1-CB 4.28Å; V151-A482 HydrophobicContact CG2-CB 4.2Å; V151-L487 HydrophobicContact CG1-CD1 3.93Å
152	M	98.9	Very high	98.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61.3	-47.8	175	-170.2	178.4	83.5	0	0	111.8	S150 R154 A155 K156 V162 V164 T178 V213 I215 Y326	S150-M152 PolarHBondContact O-N 2.89Å; M152-R154 VanDerWaalsContact C-N 3.32Å; M152-R154 PolarHBondContact O-N 3.3Å; M152-A155 WeakPolarHBondContact O-CB 3.41Å; M152-A155 PolarHBondContact O-N 3.32Å; M152-A155 VanDerWaalsContact O-N 3.14Å; M152-K156 PolarHBondContact O-N 2.92Å; M152-V162 HydrophobicContact CE-CG2 4.42Å; M152-V162 HydrophobicContact CG-CB 3.56Å; M152-V162 HydrophobicContact CG-CG1 3.8Å; M152-V162 HydrophobicContact CG-CG2 4.05Å; M152-V162 WeakPolarHBondContact O-CG1 3.47Å; M152-V162 HydrophobicContact SD-CB 4.04Å; M152-V162 HydrophobicContact SD-CG2 4.28Å; M152-V164 HydrophobicContact CE-CG2 3.88Å; M152-V164 HydrophobicContact SD-CG2 3.64Å; M152-T178 VanDerWaalsContact CE-CB 3.46Å; M152-T178 VanDerWaalsContact CE-OG1 3.27Å; M152-T178 WeakPolarHBondContact CE-OG1 3.41Å; M152-T178 HydrophobicContact SD-CG2 4.19Å; M152-V213 HydrophobicContact CE-CG1 4.46Å; M152-I215 HydrophobicContact CE-CD1 3.88Å; M152-I215 HydrophobicContact CE-CG1 3.98Å; M152-Y326 HydrophobicContact CB-CD1 3.6Å; M152-Y326 HydrophobicContact CB-CE1 3.67Å; M152-Y326 HydrophobicContact CB-CG 4.19Å; M152-Y326 HydrophobicContact CG-CD1 3.52Å; M152-Y326 HydrophobicContact CG-CE1 3.99Å; M152-Y326 HydrophobicContact CG-CG 4.21Å; M152-Y326 HydrophobicContact SD-CD1 4.16Å; M152-Y326 HydrophobicContact SD-CE1 4.38Å
153	N	98.9	Very high	98.8	Very high	37 Å²	37	36.2 Å²	36.2	20%	0.198	21%	0.209	C	C	.	.	H	α-helix	trans	-60.5	-44.4	176.6	-178.3	-36	0	0	0	110.6	I149 S150 A155 K156 K157 V213	I149-N153 HydrophobicContact CG2-CB 3.65Å; S150-N153 PolarHBondContact O-N 2.96Å; S150-N153 WeakPolarHBondContact OG-CB 3.18Å; S150-N153 PolarHBondContact OG-N 2.98Å; N153-A155 VanDerWaalsContact C-N 3.32Å; N153-A155 PolarHBondContact O-N 2.93Å; N153-K156 PolarHBondContact O-N 3.05Å; N153-K157 PolarHBondContact O-N 3.45Å; N153-V213 HydrophobicContact CB-CG2 4.01Å; N153-V213 WeakPolarHBondContact ND2-CG2 3.33Å
154	R	98.9	Very high	98.8	Very high	19 Å²	19	35.9 Å²	35.9	7%	0.072	21%	0.207	C	C	.	.	H	α-helix	trans	-60.5	-38.2	174.3	-70.6	172.7	-92.7	174.1	-9.7	113	C120 I149 S150 V151 M152 K157 A158 L487 E488	C120-R154 PolarHBondContact O-NH2 3.48Å; I149-R154 HydrophobicContact CG2-CG 4.1Å; I149-R154 PolarHBondContact O-NE 3.34Å; I149-R154 PolarHBondContact O-NH2 2.93Å; S150-R154 WeakPolarHBondContact O-CG 3.34Å; S150-R154 PolarHBondContact O-N 3.23Å; S150-R154 VanDerWaalsContact O-N 3.13Å; S150-R154 PolarHBondContact O-NE 3.09Å; V151-R154 PolarHBondContact O-N 3.3Å; M152-R154 VanDerWaalsContact C-N 3.32Å; M152-R154 PolarHBondContact O-N 3.3Å; R154-K157 PolarHBondContact O-N 3.32Å; R154-A158 PolarHBondContact O-N 3.37Å; R154-L487 HydrophobicContact CB-CB 4.37Å; R154-E488 WeakPolarHBondContact CD-O 3.37Å; R154-E488 HydrophobicContact CG-CB 4.41Å; R154-E488 PolarHBondContact NH1-O 2.92Å
155	A	98.9	Very high	98.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-63.5	-45.2	174.8	0	0	0	0	0	111.2	V151 M152 N153 K157 A158 G159 K160 V162 Y326 L487	V151-A155 WeakPolarHBondContact O-CB 3.42Å; V151-A155 PolarHBondContact O-N 3.47Å; M152-A155 WeakPolarHBondContact O-CB 3.41Å; M152-A155 PolarHBondContact O-N 3.32Å; M152-A155 VanDerWaalsContact O-N 3.14Å; N153-A155 VanDerWaalsContact C-N 3.32Å; N153-A155 PolarHBondContact O-N 2.93Å; A155-K157 PolarHBondContact O-N 2.77Å; A155-A158 CarbonylContact O-C 3.58Å; A155-A158 PolarHBondContact O-N 3.02Å; A155-A158 VanDerWaalsContact O-N 3.11Å; A155-G159 PolarHBondContact O-N 2.82Å; A155-K160 HydrophobicContact CB-CB 4.22Å; A155-K160 HydrophobicContact CB-CD 4.05Å; A155-K160 WeakPolarHBondContact O-CB 3.39Å; A155-K160 PolarHBondContact O-N 2.95Å; A155-V162 HydrophobicContact CB-CG1 4.16Å; A155-Y326 HydrophobicContact CB-CG 4.44Å; A155-L487 HydrophobicContact CB-CD1 3.8Å
156	K	98.8	Very high	98.9	Very high	44 Å²	44	26.4 Å²	26.4	19%	0.191	14%	0.144	C	C	.	.	H	α-helix	trans	-60.8	-44.1	175.2	-172.5	62.8	175.2	-155.8	0	111.7	M152 N153 A158 G159 K160 V162 V213 D214 D216	M152-K156 PolarHBondContact O-N 2.92Å; N153-K156 PolarHBondContact O-N 3.05Å; K156-A158 PolarHBondContact O-N 3.4Å; K156-G159 WeakPolarHBondContact O-CA 3.44Å; K156-G159 PolarHBondContact O-N 2.77Å; K156-K160 WeakPolarHBondContact CD-O 3.31Å; K156-V162 HydrophobicContact CB-CG1 3.84Å; K156-V162 HydrophobicContact CB-CG2 4.26Å; K156-V162 HydrophobicContact CD-CG1 4.43Å; K156-V162 HydrophobicContact CD-CG2 4.17Å; K156-V162 HydrophobicContact CG-CG2 4.48Å; K156-V213 HydrophobicContact CB-CG1 4.24Å; K156-V213 HydrophobicContact CG-CG1 4.32Å; K156-D214 VanDerWaalsContact CD-O 3.25Å; K156-D214 WeakPolarHBondContact CD-O 3.36Å; K156-D214 WeakPolarHBondContact CE-O 3.35Å; K156-D214 WeakPolarHBondContact CE-OD2 3.24Å; K156-D214 WeakPolarHBondContact CG-O 3.15Å; K156-D214 PolarHBondContact NZ-O 3.48Å; K156-D214 IonicContact NZ-OD1 3.89Å; K156-D214 IonicContact NZ-OD2 3.79Å; K156-D214 PolarHBondContact NZ-OD2 3.01Å; K156-D216 IonicContact NZ-OD1 3.61Å; K156-D216 PolarHBondContact NZ-OD1 3.37Å; K156-D216 IonicContact NZ-OD2 2.73Å; K156-D216 PolarHBondContact NZ-OD2 2.9Å
157	K	98.6	Very high	98.9	Very high	137 Å²	137	25.2 Å²	25.2	60%	0.596	14%	0.138	S	C	*	.	H	α-helix	trans	-59	-33.7	174.5	-172.7	-175	178.1	-167.6	0	112.5	N153 R154 A155 G159 E488	N153-K157 PolarHBondContact O-N 3.45Å; R154-K157 PolarHBondContact O-N 3.32Å; A155-K157 PolarHBondContact O-N 2.77Å; K157-G159 PolarHBondContact O-N 2.98Å; K157-E488 IonicContact NZ-OE1 3.72Å; K157-E488 PolarHBondContact NZ-OE1 3Å; K157-E488 IonicContact NZ-OE2 3.24Å; K157-E488 PolarHBondContact NZ-OE2 3.29Å
158	A	98.6	Very high	98.9	Very high	51 Å²	51	21.9 Å²	21.9	42%	0.421	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	4.9	174.3	0	0	0	0	0	114.1	R154 A155 K156 L487	R154-A158 PolarHBondContact O-N 3.37Å; A155-A158 CarbonylContact O-C 3.58Å; A155-A158 PolarHBondContact O-N 3.02Å; A155-A158 VanDerWaalsContact O-N 3.11Å; K156-A158 PolarHBondContact O-N 3.4Å; A158-L487 HydrophobicContact CB-CD2 3.45Å; A158-L487 VanDerWaalsContact CB-CD2 3.45Å
159	G	98.6	Very high	98.9	Very high	31 Å²	31	22.5 Å²	22.5	32%	0.32	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.3	10.2	177.1	0	0	0	0	0	114.9	A155 K156 K157 N321 R323	A155-G159 PolarHBondContact O-N 2.82Å; K156-G159 WeakPolarHBondContact O-CA 3.44Å; K156-G159 PolarHBondContact O-N 2.77Å; K157-G159 PolarHBondContact O-N 2.98Å; G159-N321 PolarHBondContact O-ND2 3.07Å; G159-R323 WeakPolarHBondContact O-CD 3.49Å
160	K	98.8	Very high	98.9	Very high	19 Å²	19	18.9 Å²	18.9	8%	0.083	10%	0.103	C	C	.	.			trans	-74.9	150.9	170.5	-60.7	-176.3	-179.7	-70.1	0	109.8	K53 A155 K156 R323 G324	K53-K160 PolarHBondContact O-NZ 2.98Å; A155-K160 HydrophobicContact CB-CB 4.22Å; A155-K160 HydrophobicContact CB-CD 4.05Å; A155-K160 WeakPolarHBondContact O-CB 3.39Å; A155-K160 PolarHBondContact O-N 2.95Å; K156-K160 WeakPolarHBondContact CD-O 3.31Å; K160-R323 PolarHBondContact NZ-O 3.2Å; K160-G324 WeakPolarHBondContact CA-O 3.11Å; K160-G324 WeakPolarHBondContact CB-O 3.23Å
161	S	98.9	Very high	98.9	Very high	11 Å²	11	18.7 Å²	18.7	8%	0.077	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	150.9	166.1	-73.4	0	0	0	0	109.6	D216 N321 G324 F325 Y326	S161-D216 WeakPolarHBondContact CA-OD2 3.45Å; S161-D216 VanDerWaalsContact CB-OD1 3.28Å; S161-D216 WeakPolarHBondContact CB-OD1 3.27Å; S161-D216 PolarHBondContact OG-OD1 3Å; S161-N321 PolarHBondContact N-ND2 3.47Å; S161-N321 WeakPolarHBondContact OG-CB 3.39Å; S161-N321 PolarHBondContact OG-ND2 3.05Å; S161-G324 PolarHBondContact N-O 2.61Å; S161-G324 VanDerWaalsContact N-O 3.13Å; S161-F325 CarbonylContact O-C 3.56Å; S161-F325 WeakPolarHBondContact O-CA 3.35Å; S161-F325 VanDerWaalsContact O-CB 3.26Å; S161-F325 WeakPolarHBondContact O-CB 3.43Å; S161-Y326 PolarHBondContact O-N 2.9Å
162	V	99	Very high	98.9	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	142.9	-177.3	-56.3	0	0	0	0	112.3	M152 A155 K156 V213 I215 D216 V217 Y326	M152-V162 HydrophobicContact CE-CG2 4.42Å; M152-V162 HydrophobicContact CG-CB 3.56Å; M152-V162 HydrophobicContact CG-CG1 3.8Å; M152-V162 HydrophobicContact CG-CG2 4.05Å; M152-V162 WeakPolarHBondContact O-CG1 3.47Å; M152-V162 HydrophobicContact SD-CB 4.04Å; M152-V162 HydrophobicContact SD-CG2 4.28Å; A155-V162 HydrophobicContact CB-CG1 4.16Å; K156-V162 HydrophobicContact CB-CG1 3.84Å; K156-V162 HydrophobicContact CB-CG2 4.26Å; K156-V162 HydrophobicContact CD-CG1 4.43Å; K156-V162 HydrophobicContact CD-CG2 4.17Å; K156-V162 HydrophobicContact CG-CG2 4.48Å; V162-V213 HydrophobicContact CG2-CG1 4.46Å; V162-I215 HydrophobicContact CG2-CB 4.37Å; V162-I215 HydrophobicContact CG2-CG1 4.45Å; V162-I215 HydrophobicContact CG2-CG2 4.24Å; V162-D216 PolarHBondContact N-OD2 3.2Å; V162-D216 WeakPolarHBondContact O-CB 3.35Å; V162-D216 PolarHBondContact O-N 3.44Å; V162-V217 PolarHBondContact O-N 2.8Å; V162-Y326 CarbonylContact C-O 3.53Å; V162-Y326 VanDerWaalsContact CA-O 3.27Å; V162-Y326 WeakPolarHBondContact CA-O 3.36Å
163	G	98.9	Very high	98.9	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	149.4	179.6	0	0	0	0	0	114.4	V217 Y326 F328	G163-V217 CarbonylContact C-O 3.51Å; G163-V217 WeakPolarHBondContact CA-O 3.46Å; G163-Y326 PolarHBondContact N-O 3.09Å; G163-F328 PolarHBondContact O-N 2.74Å
164	V	99	Very high	98.9	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	122.5	177	178.9	0	0	0	0	107.9	M152 P175 T178 I215 V217 L219 F328	M152-V164 HydrophobicContact CE-CG2 3.88Å; M152-V164 HydrophobicContact SD-CG2 3.64Å; V164-P175 HydrophobicContact CG1-CB 3.53Å; V164-T178 HydrophobicContact CG2-CG2 4.42Å; V164-T178 WeakPolarHBondContact CG2-OG1 3.38Å; V164-I215 HydrophobicContact CG2-CG2 4.38Å; V164-V217 PolarHBondContact N-O 3.01Å; V164-L219 PolarHBondContact O-N 2.89Å; V164-F328 HydrophobicContact CG1-CD1 4.12Å
165	V	99	Very high	98.9	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	129	177.8	-179.7	0	0	0	0	108.6	L219 L307 M310 A314 L327 F328 V329 E330	V165-L219 CarbonylContact C-O 3.56Å; V165-L219 VanDerWaalsContact CA-O 3.31Å; V165-L219 WeakPolarHBondContact CA-O 3.42Å; V165-L219 HydrophobicContact CG1-CB 4.38Å; V165-L219 HydrophobicContact CG2-CB 4.19Å; V165-L219 HydrophobicContact CG2-CD1 4.15Å; V165-L219 HydrophobicContact CG2-CG 4.49Å; V165-L307 HydrophobicContact CG1-CD1 3.78Å; V165-M310 HydrophobicContact CG1-CB 3.54Å; V165-M310 HydrophobicContact CG1-CE 4.3Å; V165-M310 HydrophobicContact CG1-SD 4.49Å; V165-A314 HydrophobicContact CG2-CB 3.66Å; V165-L327 HydrophobicContact CG2-CD1 3.86Å; V165-F328 PolarHBondContact N-O 2.74Å; V165-V329 HydrophobicContact CB-CG1 4.37Å; V165-V329 HydrophobicContact CB-CG2 4.38Å; V165-V329 HydrophobicContact CG1-CG1 4.29Å; V165-V329 CarbonylContact O-C 3.58Å; V165-V329 VanDerWaalsContact O-CA 3.29Å; V165-V329 WeakPolarHBondContact O-CA 3.12Å; V165-E330 PolarHBondContact O-N 2.84Å
166	T	98.9	Very high	98.9	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	153.5	179.1	178.4	0	0	0	0	112.1	T168 V170 P175 L219 G220 M310 E330	T166-T168 VanDerWaalsContact C-N 3.32Å; T166-T168 WeakPolarHBondContact CG2-O 3.35Å; T166-T168 PolarHBondContact OG1-N 2.77Å; T166-T168 PolarHBondContact OG1-OG1 3.42Å; T166-V170 HydrophobicContact CG2-CG1 4.09Å; T166-P175 HydrophobicContact CG2-CB 4.19Å; T166-P175 HydrophobicContact CG2-CG 4.04Å; T166-L219 PolarHBondContact N-O 2.92Å; T166-G220 WeakPolarHBondContact O-CA 3.44Å; T166-M310 WeakPolarHBondContact O-CE 3.35Å; T166-E330 WeakPolarHBondContact CB-OE2 3.33Å; T166-E330 PolarHBondContact OG1-OE2 3.29Å
167	T	98.9	Very high	98.9	Very high	8 Å²	8	14.2 Å²	14.2	5%	0.049	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-3.8	166.6	54.9	0	0	0	0	113.6	M293 L307 M310 E330 G332 R333	T167-M293 WeakPolarHBondContact O-CB 3.28Å; T167-M293 PolarHBondContact O-N 2.83Å; T167-L307 HydrophobicContact CG2-CB 3.92Å; T167-L307 HydrophobicContact CG2-CD1 4.19Å; T167-L307 HydrophobicContact CG2-CD2 4.3Å; T167-L307 HydrophobicContact CG2-CG 4.36Å; T167-M310 HydrophobicContact CG2-CE 4.27Å; T167-E330 PolarHBondContact N-O 2.75Å; T167-G332 PolarHBondContact OG1-N 3.22Å; T167-R333 PolarHBondContact OG1-N 3.06Å
168	T	98.9	Very high	98.9	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	-178.8	172.7	68.1	0	0	0	0	110.8	T166 V170 H172 G221 D292 E330 R333	T166-T168 VanDerWaalsContact C-N 3.32Å; T166-T168 WeakPolarHBondContact CG2-O 3.35Å; T166-T168 PolarHBondContact OG1-N 2.77Å; T166-T168 PolarHBondContact OG1-OG1 3.42Å; T168-V170 PolarHBondContact O-N 2.92Å; T168-H172 VanDerWaalsContact OG1-CB 3.3Å; T168-H172 WeakPolarHBondContact OG1-CB 3.46Å; T168-G221 PolarHBondContact O-N 2.85Å; T168-D292 WeakPolarHBondContact CA-OD1 3.16Å; T168-D292 WeakPolarHBondContact CB-OD1 3.38Å; T168-E330 PolarHBondContact OG1-OE2 2.82Å; T168-R333 HydrophobicContact CG2-CG 4.42Å
169	R	98.9	Very high	98.9	Very high	35 Å²	35	5.5 Å²	5.5	13%	0.132	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.2	133.2	161.2	-69.3	162.1	-82.7	168.4	-8.8	109.3	Q171 H172 Y188 Y225 G291 D292	R169-Q171 PolarHBondContact O-N 2.81Å; R169-H172 HydrophobicContact CB-CB 4.39Å; R169-H172 WeakPolarHBondContact O-CB 3.4Å; R169-H172 PolarHBondContact O-N 3.33Å; R169-Y188 VanDerWaalsContact NH1-CE2 3.3Å; R169-Y188 VanDerWaalsContact NH1-CZ 3.33Å; R169-Y225 HydrophobicContact CB-CE2 4.43Å; R169-Y225 WeakPolarHBondContact CD-OH 3.35Å; R169-Y225 HydrophobicContact CG-CE2 3.79Å; R169-Y225 PolarHBondContact NH1-OH 2.93Å; R169-G291 VanDerWaalsContact CG-O 3.22Å; R169-G291 WeakPolarHBondContact CG-O 3.48Å; R169-D292 VanDerWaalsContact CG-OD1 3.31Å; R169-D292 WeakPolarHBondContact CG-OD1 3.45Å; R169-D292 IonicContact CZ-OD1 3.7Å; R169-D292 IonicContact CZ-OD2 2.69Å; R169-D292 PolarHBondContact N-OD1 2.92Å; R169-D292 VanDerWaalsContact NE-CG 3.31Å; R169-D292 IonicContact NE-OD1 2.71Å; R169-D292 PolarHBondContact NE-OD1 2.92Å; R169-D292 IonicContact NE-OD2 2.63Å; R169-D292 PolarHBondContact NE-OD2 3.2Å; R169-D292 IonicContact NH2-OD1 3.82Å; R169-D292 IonicContact NH2-OD2 2.97Å; R169-D292 PolarHBondContact NH2-OD2 3.02Å
170	V	98.9	Very high	98.9	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.019	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-14.8	175.3	-61.6	0	0	0	0	113	T166 T168 P175 Y179 L209 I218 G221 L287	T166-V170 HydrophobicContact CG2-CG1 4.09Å; T168-V170 PolarHBondContact O-N 2.92Å; V170-P175 WeakPolarHBondContact O-CG 3.38Å; V170-Y179 PolarHBondContact O-OH 3Å; V170-L209 HydrophobicContact CG2-CD2 3.67Å; V170-I218 HydrophobicContact CB-CG2 4Å; V170-I218 HydrophobicContact CG1-CG2 3.82Å; V170-I218 HydrophobicContact CG2-CG2 4.03Å; V170-G221 PolarHBondContact N-O 2.89Å; V170-L287 HydrophobicContact CG1-CD2 4.05Å; V170-L287 HydrophobicContact CG2-CD2 3.69Å
171	Q	98.9	Very high	98.9	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	2%	0.022	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	2	172.6	-49.1	86	-6.4	0	0	114.2	R169 Y179 Y188 I205 A206 G222 M226	R169-Q171 PolarHBondContact O-N 2.81Å; Q171-Y179 WeakPolarHBondContact CA-OH 3.27Å; Q171-Y188 HydrophobicContact CB-CD1 4.17Å; Q171-Y188 WeakPolarHBondContact O-CD1 3.29Å; Q171-I205 HydrophobicContact CB-CB 4.21Å; Q171-I205 HydrophobicContact CB-CG2 3.72Å; Q171-I205 HydrophobicContact CG-CG2 4.33Å; Q171-A206 HydrophobicContact CG-CB 4Å; Q171-G222 PolarHBondContact NE2-O 3.06Å; Q171-M226 PolarHBondContact NE2-SD 2.86Å
172	H	98.8	Very high	98.9	Very high	6 Å²	6	4.1 Å²	4.1	3%	0.028	2%	0.019	C	C	.	.	S	Bend	trans	-66.4	165.8	175.9	-160.9	-120.7	0	0	0	111.4	T168 R169 S174 P175 A176 R185 H336	T168-H172 VanDerWaalsContact OG1-CB 3.3Å; T168-H172 WeakPolarHBondContact OG1-CB 3.46Å; R169-H172 HydrophobicContact CB-CB 4.39Å; R169-H172 WeakPolarHBondContact O-CB 3.4Å; R169-H172 PolarHBondContact O-N 3.33Å; H172-S174 PolarHBondContact O-N 3.3Å; H172-P175 HydrophobicContact CB-CG 4.04Å; H172-P175 WeakPolarHBondContact O-CD 3.32Å; H172-P175 WeakPolarHBondContact O-CG 3.3Å; H172-A176 WeakPolarHBondContact O-CB 3.38Å; H172-A176 PolarHBondContact O-N 3.19Å; H172-R185 PolarHBondContact CE1-NH2 3.46Å; H172-R185 PolarHBondContact NE2-NH2 3.04Å; H172-H336 AromaticContact CE1-NE2 3.95Å
173	A	98.8	Very high	98.9	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-59.1	-47.8	-169.5	0	0	0	0	0	113.8	A112 I129 A176 G177 R185	A112-A173 HydrophobicContact CB-CB 3.98Å; I129-A173 HydrophobicContact CD1-CB 4.11Å; A173-A176 PolarHBondContact O-N 3.36Å; A173-G177 PolarHBondContact O-N 2.85Å; A173-R185 HydrophobicContact CB-CB 4.28Å; A173-R185 VanDerWaalsContact CB-CZ 3.46Å
174	S	98.9	Very high	98.9	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-60.2	-54.3	-178.7	-51.9	0	0	0	0	112.8	D61 Y118 L119 H172 G177 E330	D61-S174 PolarHBondContact OD2-OG 3.26Å; Y118-S174 WeakPolarHBondContact OH-CB 3.49Å; L119-S174 VanDerWaalsContact CD1-O 3.29Å; L119-S174 WeakPolarHBondContact CD1-O 3.26Å; H172-S174 PolarHBondContact O-N 3.3Å; S174-G177 PolarHBondContact O-N 3.5Å; S174-E330 WeakPolarHBondContact CB-OE1 3.3Å; S174-E330 PolarHBondContact OG-OE1 2.7Å
175	P	98.9	Very high	98.9	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-68.5	-35.6	175.8	25.9	-32.5	0	0	0	111.8	V164 T166 V170 H172 G177 T178 Y179 F328 E330	V164-P175 HydrophobicContact CG1-CB 3.53Å; T166-P175 HydrophobicContact CG2-CB 4.19Å; T166-P175 HydrophobicContact CG2-CG 4.04Å; V170-P175 WeakPolarHBondContact O-CG 3.38Å; H172-P175 HydrophobicContact CB-CG 4.04Å; H172-P175 WeakPolarHBondContact O-CD 3.32Å; H172-P175 WeakPolarHBondContact O-CG 3.3Å; P175-G177 VanDerWaalsContact C-N 3.26Å; P175-G177 PolarHBondContact O-N 3.34Å; P175-T178 WeakPolarHBondContact O-CB 3.41Å; P175-T178 WeakPolarHBondContact O-CG2 3.34Å; P175-T178 PolarHBondContact O-N 3.07Å; P175-T178 PolarHBondContact O-OG1 3.13Å; P175-Y179 WeakPolarHBondContact O-CD1 3.29Å; P175-Y179 WeakPolarHBondContact O-CE1 3.38Å; P175-F328 HydrophobicContact CB-CE1 4.08Å; P175-E330 WeakPolarHBondContact CD-OE2 3.39Å
176	A	98.9	Very high	98.9	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-62.5	-29.6	178.6	0	0	0	0	0	113.2	I129 H172 A173 T178 Y179 A180 I205	I129-A176 HydrophobicContact CD1-CB 4Å; I129-A176 HydrophobicContact CG2-CB 4.23Å; H172-A176 WeakPolarHBondContact O-CB 3.38Å; H172-A176 PolarHBondContact O-N 3.19Å; A173-A176 PolarHBondContact O-N 3.36Å; A176-T178 PolarHBondContact O-N 3.37Å; A176-Y179 HydrophobicContact CB-CE1 4.49Å; A176-Y179 HydrophobicContact CB-CE2 4.34Å; A176-Y179 PolarHBondContact O-N 2.91Å; A176-A180 HydrophobicContact CB-CB 4.04Å; A176-A180 WeakPolarHBondContact O-CB 3.26Å; A176-A180 PolarHBondContact O-N 2.72Å; A176-I205 HydrophobicContact CB-CG2 3.7Å
177	G	98.9	Very high	98.9	Very high	1 Å²	1	8.9 Å²	8.9	1%	0.01	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-15.3	173.5	0	0	0	0	0	114.3	L119 I129 A173 S174 P175	L119-G177 VanDerWaalsContact CD1-C 3.4Å; I129-G177 VanDerWaalsContact CG2-CA 3.45Å; A173-G177 PolarHBondContact O-N 2.85Å; S174-G177 PolarHBondContact O-N 3.5Å; P175-G177 VanDerWaalsContact C-N 3.26Å; P175-G177 PolarHBondContact O-N 3.34Å
178	T	98.9	Very high	98.9	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-22.4	175.4	69.3	0	0	0	0	112.9	L119 S150 M152 V164 P175 A176 F328	L119-T178 HydrophobicContact CD1-CG2 3.64Å; L119-T178 HydrophobicContact CD2-CG2 4Å; L119-T178 HydrophobicContact CG-CG2 4.37Å; S150-T178 WeakPolarHBondContact CB-O 3.46Å; S150-T178 PolarHBondContact OG-O 3.38Å; M152-T178 VanDerWaalsContact CE-CB 3.46Å; M152-T178 VanDerWaalsContact CE-OG1 3.27Å; M152-T178 WeakPolarHBondContact CE-OG1 3.41Å; M152-T178 HydrophobicContact SD-CG2 4.19Å; V164-T178 HydrophobicContact CG2-CG2 4.42Å; V164-T178 WeakPolarHBondContact CG2-OG1 3.38Å; P175-T178 WeakPolarHBondContact O-CB 3.41Å; P175-T178 WeakPolarHBondContact O-CG2 3.34Å; P175-T178 PolarHBondContact O-N 3.07Å; P175-T178 PolarHBondContact O-OG1 3.13Å; A176-T178 PolarHBondContact O-N 3.37Å; T178-F328 HydrophobicContact CG2-CB 4.07Å; T178-F328 HydrophobicContact CG2-CD1 4.29Å; T178-F328 HydrophobicContact CG2-CD2 4.47Å; T178-F328 HydrophobicContact CG2-CG 4.03Å
179	Y	98.9	Very high	98.9	Very high	4 Å²	4	9.5 Å²	9.5	2%	0.016	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	-141.4	-21.4	-171.1	62.1	-103	0	0	0	115.9	V170 Q171 P175 A176 I205 Q208 L209 N212 I215	V170-Y179 PolarHBondContact O-OH 3Å; Q171-Y179 WeakPolarHBondContact CA-OH 3.27Å; P175-Y179 WeakPolarHBondContact O-CD1 3.29Å; P175-Y179 WeakPolarHBondContact O-CE1 3.38Å; A176-Y179 HydrophobicContact CB-CE1 4.49Å; A176-Y179 HydrophobicContact CB-CE2 4.34Å; A176-Y179 PolarHBondContact O-N 2.91Å; Y179-I205 HydrophobicContact CE2-CG2 3.81Å; Y179-I205 WeakPolarHBondContact OH-CG2 3.26Å; Y179-Q208 HydrophobicContact CD2-CB 4.5Å; Y179-L209 HydrophobicContact CD1-CD1 3.92Å; Y179-L209 HydrophobicContact CD2-CB 4.25Å; Y179-L209 HydrophobicContact CD2-CD1 4.45Å; Y179-L209 HydrophobicContact CE1-CD1 3.47Å; Y179-L209 VanDerWaalsContact CE1-CD1 3.47Å; Y179-L209 VanDerWaalsContact CE2-CA 3.5Å; Y179-L209 HydrophobicContact CE2-CB 3.68Å; Y179-L209 HydrophobicContact CE2-CD1 4.05Å; Y179-L209 HydrophobicContact CE2-CG 4.49Å; Y179-L209 HydrophobicContact CG-CD1 4.41Å; Y179-N212 VanDerWaalsContact O-CB 3.25Å; Y179-N212 WeakPolarHBondContact O-CB 3.38Å; Y179-N212 PolarHBondContact O-ND2 3.16Å; Y179-I215 HydrophobicContact CD1-CD1 3.92Å; Y179-I215 HydrophobicContact CG-CD1 4.18Å
180	A	98.9	Very high	98.9	Very high	1 Å²	1	8.2 Å²	8.2	1%	0.008	4%	0.039	C	C	.	.			trans	-101.5	153.2	-171.2	0	0	0	0	0	112.7	A176 I205 Q208	A176-A180 HydrophobicContact CB-CB 4.04Å; A176-A180 WeakPolarHBondContact O-CB 3.26Å; A176-A180 PolarHBondContact O-N 2.72Å; A180-I205 HydrophobicContact CB-CG2 4.32Å; A180-Q208 HydrophobicContact CB-CB 4.33Å
181	H	98.9	Very high	98.8	Very high	30 Å²	30	10 Å²	10	14%	0.139	5%	0.054	C	C	.	.			trans	-127	107.5	169.2	-54.8	-68.6	0	0	0	107.6	I129 G130 L131 E147 V148 Q208	I129-H181 CarbonylContact O-C 3.19Å; I129-H181 WeakPolarHBondContact O-CA 3.07Å; G130-H181 PolarHBondContact O-ND1 2.78Å; L131-H181 HydrophobicContact CD2-CB 4.05Å; E147-H181 HydrophobicContact CB-CB 4.44Å; E147-H181 HydrophobicContact CG-CB 3.79Å; V148-H181 PolarHBondContact O-CE1 3.38Å; V148-H181 VanDerWaalsContact O-CE1 3.27Å; H181-Q208 PolarHBondContact O-NE2 3.14Å; H181-Q208 PolarHBondContact O-OE1 3.12Å
182	T	98.9	Very high	98.8	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.012	7%	0.07	C	C	.	.	B	Isolated β-bridge	trans	-148.4	139.7	-178.7	179	0	0	0	0	112	T128 I129 L131 N184 I205	T128-T182 WeakPolarHBondContact CA-O 3.29Å; I129-T182 HydrophobicContact CB-CG2 3.84Å; I129-T182 HydrophobicContact CD1-CG2 3.81Å; I129-T182 HydrophobicContact CG1-CG2 4.08Å; I129-T182 PolarHBondContact N-O 2.97Å; I129-T182 PolarHBondContact O-N 2.92Å; L131-T182 WeakPolarHBondContact CD1-O 3Å; T182-N184 PolarHBondContact O-N 2.93Å; T182-N184 PolarHBondContact OG1-N 2.84Å; T182-N184 VanDerWaalsContact OG1-N 3.1Å; T182-N184 PolarHBondContact OG1-O 3.44Å; T182-N184 VanDerWaalsContact OG1-O 3.05Å; T182-I205 HydrophobicContact CG2-CD1 4.12Å; T182-I205 HydrophobicContact CG2-CG1 3.99Å
183	V	98.9	Very high	98.8	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.072	C	C	.	.	S	Bend	trans	-77.5	-5.9	173	-70	0	0	0	0	112.9	L131 A135 R136 Y137 N138 T143 W187	L131-V183 HydrophobicContact CD1-CB 4.28Å; L131-V183 HydrophobicContact CD1-CG1 3.42Å; L131-V183 VanDerWaalsContact CD1-CG1 3.42Å; A135-V183 HydrophobicContact CB-CG1 4.2Å; R136-V183 WeakPolarHBondContact O-CB 3.39Å; R136-V183 WeakPolarHBondContact O-CG1 3.44Å; Y137-V183 CarbonylContact C-O 3.49Å; Y137-V183 VanDerWaalsContact CA-O 3.31Å; Y137-V183 WeakPolarHBondContact CA-O 3Å; Y137-V183 VanDerWaalsContact CD2-O 3.26Å; Y137-V183 WeakPolarHBondContact CD2-O 3.35Å; N138-V183 PolarHBondContact N-O 3.22Å; T143-V183 WeakPolarHBondContact OG1-CG1 3.28Å; V183-W187 HydrophobicContact CG2-CH2 3.46Å; V183-W187 VanDerWaalsContact CG2-CH2 3.46Å; V183-W187 HydrophobicContact CG2-CZ2 4.4Å; V183-W187 HydrophobicContact CG2-CZ3 3.53Å
184	N	98.9	Very high	98.8	Very high	9 Å²	9	15.8 Å²	15.8	5%	0.048	9%	0.087	C	C	.	.			trans	-146.1	111.5	178.3	-168.8	-20.3	0	0	0	110.6	Y137 N138 T182 N186 W187	Y137-N184 HydrophobicContact CE2-CB 4.04Å; Y137-N184 WeakPolarHBondContact CE2-OD1 3.37Å; Y137-N184 PolarHBondContact OH-ND2 3.22Å; N138-N184 PolarHBondContact OD1-ND2 3.08Å; T182-N184 PolarHBondContact O-N 2.93Å; T182-N184 PolarHBondContact OG1-N 2.84Å; T182-N184 VanDerWaalsContact OG1-N 3.1Å; T182-N184 PolarHBondContact OG1-O 3.44Å; T182-N184 VanDerWaalsContact OG1-O 3.05Å; N184-N186 PolarHBondContact O-N 3.04Å; N184-N186 WeakPolarHBondContact OD1-CB 3.29Å; N184-N186 PolarHBondContact OD1-N 2.77Å; N184-N186 PolarHBondContact OD1-ND2 3.23Å; N184-W187 HydrophobicContact CB-CD2 3.73Å; N184-W187 HydrophobicContact CB-CE3 4.27Å; N184-W187 HydrophobicContact CB-CG 4.01Å; N184-W187 HydrophobicContact CB-CH2 4.48Å; N184-W187 HydrophobicContact CB-CZ2 3.97Å; N184-W187 PolarHBondContact ND2-NE1 3.02Å; N184-W187 PolarHBondContact O-N 2.99Å
185	R	98.8	Very high	98.7	Very high	26 Å²	26	18.2 Å²	18.2	10%	0.098	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-18.9	176.6	68.9	174.5	-71.3	176.8	-3.4	114.8	D110 S111 A112 Q127 I129 H172 A173 W187 Y188 I205	D110-R185 VanDerWaalsContact OD2-CD 3.31Å; D110-R185 WeakPolarHBondContact OD2-CD 3.2Å; D110-R185 IonicContact OD2-CZ 3.84Å; D110-R185 IonicContact OD2-NH1 3.42Å; D110-R185 PolarHBondContact OD2-NH1 2.71Å; S111-R185 PolarHBondContact OG-NH1 3.4Å; A112-R185 HydrophobicContact CB-CB 4Å; A112-R185 HydrophobicContact CB-CG 4.48Å; Q127-R185 HydrophobicContact CB-CG 4.21Å; Q127-R185 HydrophobicContact CG-CG 4.2Å; Q127-R185 PolarHBondContact O-N 2.84Å; I129-R185 HydrophobicContact CD1-CB 3.65Å; I129-R185 HydrophobicContact CG1-CB 4.14Å; H172-R185 PolarHBondContact CE1-NH2 3.46Å; H172-R185 PolarHBondContact NE2-NH2 3.04Å; A173-R185 HydrophobicContact CB-CB 4.28Å; A173-R185 VanDerWaalsContact CB-CZ 3.46Å; R185-W187 VanDerWaalsContact C-N 3.31Å; R185-Y188 WeakPolarHBondContact O-CE1 3.09Å; R185-I205 VanDerWaalsContact O-CD1 3.31Å; R185-I205 WeakPolarHBondContact O-CD1 3.23Å
186	N	98.8	Very high	98.6	Very high	61 Å²	61	21.3 Å²	21.3	33%	0.326	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-1.6	-178.2	-61.4	-45.4	0	0	0	113.5	N184 Y188 D192	N184-N186 PolarHBondContact O-N 3.04Å; N184-N186 WeakPolarHBondContact OD1-CB 3.29Å; N184-N186 PolarHBondContact OD1-N 2.77Å; N184-N186 PolarHBondContact OD1-ND2 3.23Å; N186-Y188 HydrophobicContact CB-CE2 4.48Å; N186-Y188 WeakPolarHBondContact O-CD2 3.46Å; N186-Y188 PolarHBondContact O-N 2.74Å; N186-D192 WeakPolarHBondContact O-CB 3.27Å
187	W	98.8	Very high	98.6	Very high	3 Å²	3	21.4 Å²	21.4	1%	0.011	13%	0.13	C	C	.	.			trans	-80.5	57.6	177	-65.6	-11.2	0	0	0	111.8	N138 C140 V183 N184 R185 M193 P194 A197 C202 D204 I205	N138-W187 WeakPolarHBondContact OD1-CZ2 3.18Å; C140-W187 HydrophobicContact CB-CH2 4.1Å; V183-W187 HydrophobicContact CG2-CH2 3.46Å; V183-W187 VanDerWaalsContact CG2-CH2 3.46Å; V183-W187 HydrophobicContact CG2-CZ2 4.4Å; V183-W187 HydrophobicContact CG2-CZ3 3.53Å; N184-W187 HydrophobicContact CB-CD2 3.73Å; N184-W187 HydrophobicContact CB-CE3 4.27Å; N184-W187 HydrophobicContact CB-CG 4.01Å; N184-W187 HydrophobicContact CB-CH2 4.48Å; N184-W187 HydrophobicContact CB-CZ2 3.97Å; N184-W187 PolarHBondContact ND2-NE1 3.02Å; N184-W187 PolarHBondContact O-N 2.99Å; R185-W187 VanDerWaalsContact C-N 3.31Å; W187-M193 HydrophobicContact CB-CG 3.79Å; W187-M193 HydrophobicContact CB-SD 4.47Å; W187-M193 HydrophobicContact CD2-CE 4.02Å; W187-M193 HydrophobicContact CD2-CG 4.01Å; W187-M193 HydrophobicContact CE3-CE 3.64Å; W187-M193 HydrophobicContact CG-CG 3.67Å; W187-M193 HydrophobicContact CZ3-CE 4.03Å; W187-P194 HydrophobicContact CZ2-CG 4.15Å; W187-A197 HydrophobicContact CH2-CB 3.49Å; W187-A197 VanDerWaalsContact CH2-CB 3.49Å; W187-A197 HydrophobicContact CZ2-CB 3.77Å; W187-A197 HydrophobicContact CZ3-CB 4.08Å; W187-C202 HydrophobicContact CE3-CB 4.35Å; W187-C202 HydrophobicContact CH2-CB 4.49Å; W187-C202 HydrophobicContact CZ3-CB 3.69Å; W187-D204 CarbonylContact O-C 3.12Å; W187-D204 WeakPolarHBondContact O-CA 3.31Å; W187-I205 WeakPolarHBondContact O-CG1 3.29Å; W187-I205 PolarHBondContact O-N 3.34Å
188	Y	98.9	Very high	98.5	Very high	22 Å²	22	26.1 Å²	26.1	9%	0.086	15%	0.148	C	C	.	.	S	Bend	trans	-62.9	-45.5	-176.3	-57.2	-64.8	0	0	0	112.1	R169 Q171 R185 N186 I205 A206 Y225	R169-Y188 VanDerWaalsContact NH1-CE2 3.3Å; R169-Y188 VanDerWaalsContact NH1-CZ 3.33Å; Q171-Y188 HydrophobicContact CB-CD1 4.17Å; Q171-Y188 WeakPolarHBondContact O-CD1 3.29Å; R185-Y188 WeakPolarHBondContact O-CE1 3.09Å; N186-Y188 HydrophobicContact CB-CE2 4.48Å; N186-Y188 WeakPolarHBondContact O-CD2 3.46Å; N186-Y188 PolarHBondContact O-N 2.74Å; Y188-I205 HydrophobicContact CD1-CD1 4.39Å; Y188-A206 WeakPolarHBondContact O-CB 3.42Å; Y188-A206 PolarHBondContact O-N 2.82Å; Y188-Y225 VanDerWaalsContact CB-CD1 3.42Å; Y188-Y225 HydrophobicContact CD2-CE1 4.15Å; Y188-Y225 HydrophobicContact CG-CD1 4.48Å; Y188-Y225 AromaticContact CG-CE1 3.99Å; Y188-Y225 HydrophobicContact CG-CE1 3.99Å
189	S	98.9	Very high	98.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.183	C	C	.	.	S	Bend	trans	-126.6	171.9	172.1	66.8	0	0	0	0	111.4	A191 D192 I245	S189-A191 PolarHBondContact O-N 2.64Å; S189-A191 WeakPolarHBondContact OG-CB 3.43Å; S189-A191 PolarHBondContact OG-N 3.17Å; S189-D192 PolarHBondContact N-OD2 3.32Å; S189-D192 PolarHBondContact O-N 3Å; S189-D192 PolarHBondContact OG-OD2 3.12Å; S189-I245 VanDerWaalsContact OG-CD1 3.31Å; S189-I245 WeakPolarHBondContact OG-CD1 3.27Å
190	D	98.6	Very high	98.2	Very high	8 Å²	8	37.7 Å²	37.7	4%	0.043	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-59.1	-25.9	174.5	67.2	-52.9	0	0	0	112.4	D192 M193 R198 R246 L247 D248	D190-D192 VanDerWaalsContact C-N 3.25Å; D190-D192 PolarHBondContact O-N 3.25Å; D190-M193 PolarHBondContact O-N 2.9Å; D190-R198 PolarHBondContact O-NH1 3.05Å; D190-R246 VanDerWaalsContact OD1-CA 3.23Å; D190-R246 WeakPolarHBondContact OD1-CA 3.47Å; D190-R246 WeakPolarHBondContact OD1-CB 3.38Å; D190-R246 IonicContact OD1-CZ 3.91Å; D190-R246 IonicContact OD1-NE 3.67Å; D190-R246 IonicContact OD1-NH1 3.57Å; D190-R246 IonicContact OD1-NH2 3.62Å; D190-L247 PolarHBondContact OD1-N 3.46Å; D190-L247 VanDerWaalsContact OD2-CA 3.3Å; D190-L247 WeakPolarHBondContact OD2-CA 3.36Å; D190-L247 VanDerWaalsContact OD2-CB 3.3Å; D190-L247 WeakPolarHBondContact OD2-CB 3.5Å; D190-L247 PolarHBondContact OD2-N 2.5Å; D190-D248 PolarHBondContact OD2-N 3.18Å
191	A	98.4	Very high	98.1	Very high	37 Å²	37	39.7 Å²	39.7	31%	0.306	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-64.9	-26.8	175.5	0	0	0	0	0	113.5	S189 M193 I245 L247	S189-A191 PolarHBondContact O-N 2.64Å; S189-A191 WeakPolarHBondContact OG-CB 3.43Å; S189-A191 PolarHBondContact OG-N 3.17Å; A191-M193 VanDerWaalsContact C-N 3.32Å; A191-I245 HydrophobicContact CB-CD1 4.42Å; A191-L247 HydrophobicContact CB-CD1 4.09Å; A191-L247 HydrophobicContact CB-CG 3.88Å
192	D	98.6	Very high	98	Very high	65 Å²	65	39 Å²	39	35%	0.348	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-87.6	-5.5	-177.3	-53.8	-67	0	0	0	112.6	N186 S189 D190	N186-D192 WeakPolarHBondContact O-CB 3.27Å; S189-D192 PolarHBondContact N-OD2 3.32Å; S189-D192 PolarHBondContact O-N 3Å; S189-D192 PolarHBondContact OG-OD2 3.12Å; D190-D192 VanDerWaalsContact C-N 3.25Å; D190-D192 PolarHBondContact O-N 3.25Å
193	M	98.5	Very high	98	Very high	11 Å²	11	43 Å²	43	5%	0.054	24%	0.242	C	C	.	.	S	Bend	trans	-94.2	144.6	-175.2	-59.5	-176.5	70.6	0	0	112	W187 D190 A191 A197 R198 C202 D204	W187-M193 HydrophobicContact CB-CG 3.79Å; W187-M193 HydrophobicContact CB-SD 4.47Å; W187-M193 HydrophobicContact CD2-CE 4.02Å; W187-M193 HydrophobicContact CD2-CG 4.01Å; W187-M193 HydrophobicContact CE3-CE 3.64Å; W187-M193 HydrophobicContact CG-CG 3.67Å; W187-M193 HydrophobicContact CZ3-CE 4.03Å; D190-M193 PolarHBondContact O-N 2.9Å; A191-M193 VanDerWaalsContact C-N 3.32Å; M193-A197 HydrophobicContact CE-CB 4.04Å; M193-R198 HydrophobicContact CB-CG 3.84Å; M193-R198 HydrophobicContact CE-CG 4.15Å; M193-R198 PolarHBondContact O-NH1 3.44Å; M193-R198 HydrophobicContact SD-CG 4.02Å; M193-C202 HydrophobicContact CE-CB 3.75Å; M193-C202 VanDerWaalsContact CE-O 3.23Å; M193-C202 WeakPolarHBondContact CE-O 3.3Å; M193-D204 HydrophobicContact CG-CB 4.46Å; M193-D204 HydrophobicContact SD-CB 3.7Å; M193-D204 PolarHBondContact SD-N 3.38Å; M193-D204 VanDerWaalsContact SD-N 3.36Å
194	P	98.1	Very high	98	Very high	51 Å²	51	43.3 Å²	43.3	33%	0.331	24%	0.244	S	C	.	.			trans	-68.2	150.2	165	29.1	-31.8	0	0	0	110.3	W187 S196 A197 R198	W187-P194 HydrophobicContact CZ2-CG 4.15Å; P194-S196 PolarHBondContact O-N 3.38Å; P194-A197 HydrophobicContact CG-CB 3.7Å; P194-A197 PolarHBondContact O-N 2.82Å; P194-A197 VanDerWaalsContact O-N 3.15Å; P194-R198 PolarHBondContact O-N 3.07Å
195	A	97.3	Very high	98	Very high	51 Å²	51	42.9 Å²	42.9	42%	0.421	24%	0.242	S	C	.	.	H	α-helix	trans	-58.3	-35.7	179.9	0	0	0	0	0	112.9	R198 Q199	A195-R198 PolarHBondContact O-N 3.33Å; A195-Q199 VanDerWaalsContact O-CG 3.29Å; A195-Q199 WeakPolarHBondContact O-CG 3.32Å; A195-Q199 PolarHBondContact O-N 3.28Å
196	S	97.6	Very high	98	Very high	66 Å²	66	41.6 Å²	41.6	46%	0.462	24%	0.237	S	C	.	.	H	α-helix	trans	-61.2	-45.4	175.9	50.7	0	0	0	0	112.4	P194 R198 Q199 D200	P194-S196 PolarHBondContact O-N 3.38Å; S196-R198 VanDerWaalsContact C-N 3.32Å; S196-R198 PolarHBondContact O-N 2.97Å; S196-Q199 WeakPolarHBondContact O-CB 3.2Å; S196-Q199 PolarHBondContact O-N 2.92Å; S196-Q199 VanDerWaalsContact O-N 3.12Å; S196-D200 WeakPolarHBondContact O-CB 3.33Å; S196-D200 VanDerWaalsContact O-CG 3.25Å; S196-D200 PolarHBondContact O-N 3.32Å
197	A	98.1	Very high	98	Very high	2 Å²	2	39.4 Å²	39.4	2%	0.017	23%	0.225	C	C	.	.	H	α-helix	trans	-63.4	-37.6	179.2	0	0	0	0	0	112.5	C140 W187 M193 P194 D200 G201 C202	C140-A197 HydrophobicContact CB-CB 3.86Å; C140-A197 PolarHBondContact SG-O 2.89Å; W187-A197 HydrophobicContact CH2-CB 3.49Å; W187-A197 VanDerWaalsContact CH2-CB 3.49Å; W187-A197 HydrophobicContact CZ2-CB 3.77Å; W187-A197 HydrophobicContact CZ3-CB 4.08Å; M193-A197 HydrophobicContact CE-CB 4.04Å; P194-A197 HydrophobicContact CG-CB 3.7Å; P194-A197 PolarHBondContact O-N 2.82Å; P194-A197 VanDerWaalsContact O-N 3.15Å; A197-D200 PolarHBondContact O-N 2.8Å; A197-G201 PolarHBondContact O-N 3.22Å; A197-C202 HydrophobicContact CB-CB 4.4Å; A197-C202 WeakPolarHBondContact O-CB 3.43Å; A197-C202 PolarHBondContact O-N 2.82Å
198	R	96.4	Very high	98	Very high	99 Å²	99	39.7 Å²	39.7	37%	0.374	23%	0.227	S	C	.	.	H	α-helix	trans	-66.4	-37.9	174.2	-66	-169.3	-63.6	-93.8	-8.3	112.1	D190 M193 P194 A195 S196 G201	D190-R198 PolarHBondContact O-NH1 3.05Å; M193-R198 HydrophobicContact CB-CG 3.84Å; M193-R198 HydrophobicContact CE-CG 4.15Å; M193-R198 PolarHBondContact O-NH1 3.44Å; M193-R198 HydrophobicContact SD-CG 4.02Å; P194-R198 PolarHBondContact O-N 3.07Å; A195-R198 PolarHBondContact O-N 3.33Å; S196-R198 VanDerWaalsContact C-N 3.32Å; S196-R198 PolarHBondContact O-N 2.97Å; R198-G201 PolarHBondContact O-N 3.18Å
199	Q	95.8	Very high	98	Very high	160 Å²	160	38.7 Å²	38.7	75%	0.748	22%	0.223	S	C	*	.	H	α-helix	trans	-69.1	-36.8	176.3	-72.4	169.8	-0.6	0	0	112.1	A195 S196 G201	A195-Q199 VanDerWaalsContact O-CG 3.29Å; A195-Q199 WeakPolarHBondContact O-CG 3.32Å; A195-Q199 PolarHBondContact O-N 3.28Å; S196-Q199 WeakPolarHBondContact O-CB 3.2Å; S196-Q199 PolarHBondContact O-N 2.92Å; S196-Q199 VanDerWaalsContact O-N 3.12Å; Q199-G201 PolarHBondContact O-N 3.04Å
200	D	95.6	Very high	98	Very high	88 Å²	88	39 Å²	39	47%	0.471	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-1.6	177.6	-69.2	-14.5	0	0	0	113	C140 S196 A197	C140-D200 HydrophobicContact CB-CB 4.21Å; C140-D200 VanDerWaalsContact SG-CB 3.57Å; S196-D200 WeakPolarHBondContact O-CB 3.33Å; S196-D200 VanDerWaalsContact O-CG 3.25Å; S196-D200 PolarHBondContact O-N 3.32Å; A197-D200 PolarHBondContact O-N 2.8Å
201	G	96.4	Very high	98	Very high	43 Å²	43	41.3 Å²	41.3	44%	0.443	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.3	3.2	173	0	0	0	0	0	115.5	A197 R198 Q199	A197-G201 PolarHBondContact O-N 3.22Å; R198-G201 PolarHBondContact O-N 3.18Å; Q199-G201 PolarHBondContact O-N 3.04Å
202	C	98.5	Very high	98	Very high	14 Å²	14	42.1 Å²	42.1	10%	0.095	24%	0.241	C	C	.	.			trans	-65.1	140	168.7	-70.8	0	0	0	0	110.2	C140 T143 W187 M193 A197	C140-C202 WeakPolarHBondContact CA-SG 3.31Å; C140-C202 HydrophobicContact CB-CB 4.05Å; C140-C202 WeakPolarHBondContact CB-SG 3.34Å; C140-C202 WeakPolarHBondContact SG-CB 3.38Å; C140-C202 PolarHBondContact SG-N 2.94Å; C140-C202 VanDerWaalsContact SG-N 3.45Å; C140-C202 CovalentContact SG-SG 2.02Å; C140-C202 PolarHBondContact SG-SG 3.42Å; T143-C202 PolarHBondContact OG1-SG 3Å; W187-C202 HydrophobicContact CE3-CB 4.35Å; W187-C202 HydrophobicContact CH2-CB 4.49Å; W187-C202 HydrophobicContact CZ3-CB 3.69Å; M193-C202 HydrophobicContact CE-CB 3.75Å; M193-C202 VanDerWaalsContact CE-O 3.23Å; M193-C202 WeakPolarHBondContact CE-O 3.3Å; A197-C202 HydrophobicContact CB-CB 4.4Å; A197-C202 WeakPolarHBondContact O-CB 3.43Å; A197-C202 PolarHBondContact O-N 2.82Å
203	Q	98.6	Very high	97.9	Very high	86 Å²	86	39.6 Å²	39.6	40%	0.402	23%	0.228	S	C	.	.			trans	-108.8	146.6	178.2	-64.3	-177.3	-17.9	0	0	110.4	T207 Q208	Q203-T207 HydrophobicContact CB-CG2 4.41Å; Q203-Q208 HydrophobicContact CB-CG 3.84Å; Q203-Q208 PolarHBondContact O-NE2 2.97Å
204	D	98.9	Very high	97.9	Very high	7 Å²	7	41.9 Å²	41.9	4%	0.037	24%	0.24	C	C	.	.			trans	-66.6	153.9	171.2	62.6	104.9	0	0	0	111.7	W187 M193 A206 T207 Q208 R246	W187-D204 CarbonylContact O-C 3.12Å; W187-D204 WeakPolarHBondContact O-CA 3.31Å; M193-D204 HydrophobicContact CG-CB 4.46Å; M193-D204 HydrophobicContact SD-CB 3.7Å; M193-D204 PolarHBondContact SD-N 3.38Å; M193-D204 VanDerWaalsContact SD-N 3.36Å; D204-A206 VanDerWaalsContact C-N 3.29Å; D204-A206 PolarHBondContact O-N 2.94Å; D204-A206 WeakPolarHBondContact OD1-CB 3.44Å; D204-T207 VanDerWaalsContact CG-OG1 3.22Å; D204-T207 WeakPolarHBondContact O-CB 3.13Å; D204-T207 PolarHBondContact O-N 3.45Å; D204-T207 VanDerWaalsContact O-N 3.14Å; D204-T207 PolarHBondContact OD1-N 3.14Å; D204-T207 PolarHBondContact OD1-OG1 3.5Å; D204-T207 WeakPolarHBondContact OD2-CB 3.19Å; D204-T207 PolarHBondContact OD2-OG1 3.44Å; D204-Q208 WeakPolarHBondContact O-CG 3.4Å; D204-Q208 PolarHBondContact O-N 2.86Å; D204-R246 IonicContact OD1-CZ 3.7Å; D204-R246 IonicContact OD1-NH1 3.64Å; D204-R246 PolarHBondContact OD1-NH1 3.2Å; D204-R246 IonicContact OD1-NH2 2.82Å; D204-R246 IonicContact OD2-NH1 3.74Å; D204-R246 IonicContact OD2-NH2 2.74Å; D204-R246 PolarHBondContact OD2-NH2 3.25Å
205	I	98.9	Very high	98	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.7	-38.1	-174.8	-60.8	165.8	0	0	0	111	I129 Q171 A176 Y179 A180 T182 R185 W187 Y188 T207 Q208 L209	I129-I205 HydrophobicContact CD1-CD1 4.19Å; Q171-I205 HydrophobicContact CB-CB 4.21Å; Q171-I205 HydrophobicContact CB-CG2 3.72Å; Q171-I205 HydrophobicContact CG-CG2 4.33Å; A176-I205 HydrophobicContact CB-CG2 3.7Å; Y179-I205 HydrophobicContact CE2-CG2 3.81Å; Y179-I205 WeakPolarHBondContact OH-CG2 3.26Å; A180-I205 HydrophobicContact CB-CG2 4.32Å; T182-I205 HydrophobicContact CG2-CD1 4.12Å; T182-I205 HydrophobicContact CG2-CG1 3.99Å; R185-I205 VanDerWaalsContact O-CD1 3.31Å; R185-I205 WeakPolarHBondContact O-CD1 3.23Å; W187-I205 WeakPolarHBondContact O-CG1 3.29Å; W187-I205 PolarHBondContact O-N 3.34Å; Y188-I205 HydrophobicContact CD1-CD1 4.39Å; I205-T207 PolarHBondContact O-N 3.2Å; I205-Q208 PolarHBondContact O-N 3.36Å; I205-L209 PolarHBondContact O-N 3.08Å
206	A	98.9	Very high	98	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-62.7	-40.1	176.1	0	0	0	0	0	112.7	Q171 Y188 D204 L209 M226 L252	Q171-A206 HydrophobicContact CG-CB 4Å; Y188-A206 WeakPolarHBondContact O-CB 3.42Å; Y188-A206 PolarHBondContact O-N 2.82Å; D204-A206 VanDerWaalsContact C-N 3.29Å; D204-A206 PolarHBondContact O-N 2.94Å; D204-A206 WeakPolarHBondContact OD1-CB 3.44Å; A206-L209 WeakPolarHBondContact O-CB 3.2Å; A206-M226 HydrophobicContact CB-SD 3.7Å; A206-L252 VanDerWaalsContact C-CD1 3.5Å; A206-L252 HydrophobicContact CB-CD1 3.81Å; A206-L252 WeakPolarHBondContact O-CD1 3.31Å
207	T	98.9	Very high	98.1	Very high	14 Å²	14	34.4 Å²	34.4	9%	0.086	19%	0.185	C	C	.	.	H	α-helix	trans	-62.4	-48.4	171.4	-63.5	0	0	0	0	110.6	Q203 D204 I205 L209 I210 S211 R246	Q203-T207 HydrophobicContact CB-CG2 4.41Å; D204-T207 VanDerWaalsContact CG-OG1 3.22Å; D204-T207 WeakPolarHBondContact O-CB 3.13Å; D204-T207 PolarHBondContact O-N 3.45Å; D204-T207 VanDerWaalsContact O-N 3.14Å; D204-T207 PolarHBondContact OD1-N 3.14Å; D204-T207 PolarHBondContact OD1-OG1 3.5Å; D204-T207 WeakPolarHBondContact OD2-CB 3.19Å; D204-T207 PolarHBondContact OD2-OG1 3.44Å; I205-T207 PolarHBondContact O-N 3.2Å; T207-L209 VanDerWaalsContact C-N 3.28Å; T207-L209 PolarHBondContact O-N 3.12Å; T207-I210 VanDerWaalsContact O-CG1 3.27Å; T207-I210 WeakPolarHBondContact O-CG1 3.49Å; T207-I210 PolarHBondContact O-N 2.97Å; T207-I210 VanDerWaalsContact O-N 3.14Å; T207-S211 PolarHBondContact O-N 3.37Å; T207-S211 PolarHBondContact O-OG 3.46Å; T207-R246 PolarHBondContact OG1-NH2 3.42Å; T207-R246 VanDerWaalsContact OG1-NH2 3.11Å
208	Q	98.9	Very high	98.2	Very high	10 Å²	10	34.3 Å²	34.3	5%	0.047	18%	0.184	C	C	.	.	H	α-helix	trans	-59.6	-36.1	-178.9	-69.5	-166.6	55.3	0	0	113.1	Y179 A180 H181 Q203 D204 I205 I210 S211 N212	Y179-Q208 HydrophobicContact CD2-CB 4.5Å; A180-Q208 HydrophobicContact CB-CB 4.33Å; H181-Q208 PolarHBondContact O-NE2 3.14Å; H181-Q208 PolarHBondContact O-OE1 3.12Å; Q203-Q208 HydrophobicContact CB-CG 3.84Å; Q203-Q208 PolarHBondContact O-NE2 2.97Å; D204-Q208 WeakPolarHBondContact O-CG 3.4Å; D204-Q208 PolarHBondContact O-N 2.86Å; I205-Q208 PolarHBondContact O-N 3.36Å; Q208-I210 PolarHBondContact O-N 3.01Å; Q208-S211 WeakPolarHBondContact CA-OG 3.28Å; Q208-S211 PolarHBondContact O-N 2.89Å; Q208-N212 WeakPolarHBondContact O-CB 3.35Å; Q208-N212 PolarHBondContact O-N 3.11Å; Q208-N212 PolarHBondContact OE1-ND2 3.01Å
209	L	98.9	Very high	98.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-53.3	-37.7	175.9	175.3	68.3	0	0	0	112.7	V170 Y179 I205 A206 T207 I215 I218 M226	V170-L209 HydrophobicContact CG2-CD2 3.67Å; Y179-L209 HydrophobicContact CD1-CD1 3.92Å; Y179-L209 HydrophobicContact CD2-CB 4.25Å; Y179-L209 HydrophobicContact CD2-CD1 4.45Å; Y179-L209 HydrophobicContact CE1-CD1 3.47Å; Y179-L209 VanDerWaalsContact CE1-CD1 3.47Å; Y179-L209 VanDerWaalsContact CE2-CA 3.5Å; Y179-L209 HydrophobicContact CE2-CB 3.68Å; Y179-L209 HydrophobicContact CE2-CD1 4.05Å; Y179-L209 HydrophobicContact CE2-CG 4.49Å; Y179-L209 HydrophobicContact CG-CD1 4.41Å; I205-L209 PolarHBondContact O-N 3.08Å; A206-L209 WeakPolarHBondContact O-CB 3.2Å; T207-L209 VanDerWaalsContact C-N 3.28Å; T207-L209 PolarHBondContact O-N 3.12Å; L209-I215 HydrophobicContact CD1-CD1 3.94Å; L209-I218 HydrophobicContact CD1-CD1 3.91Å; L209-I218 HydrophobicContact CD1-CG1 4.3Å; L209-I218 HydrophobicContact CD1-CG2 4.23Å; L209-I218 HydrophobicContact CD2-CG2 4.35Å; L209-I218 HydrophobicContact CG-CD1 4.15Å; L209-M226 HydrophobicContact CD2-CE 4.09Å; L209-M226 HydrophobicContact CD2-SD 4.37Å
210	I	98.6	Very high	98.4	Very high	8 Å²	8	22 Å²	22	4%	0.041	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-0.5	-175.7	70	152.5	0	0	0	113.5	T207 Q208 M226 L252 E255 W256 K259 M285	T207-I210 VanDerWaalsContact O-CG1 3.27Å; T207-I210 WeakPolarHBondContact O-CG1 3.49Å; T207-I210 PolarHBondContact O-N 2.97Å; T207-I210 VanDerWaalsContact O-N 3.14Å; Q208-I210 PolarHBondContact O-N 3.01Å; I210-M226 HydrophobicContact CG2-CE 3.83Å; I210-L252 HydrophobicContact CD1-CB 4Å; I210-L252 HydrophobicContact CD1-CD2 3.82Å; I210-L252 HydrophobicContact CD1-CG 4.4Å; I210-E255 HydrophobicContact CD1-CB 3.83Å; I210-W256 HydrophobicContact CB-CB 4.11Å; I210-W256 HydrophobicContact CB-CG 4.44Å; I210-W256 HydrophobicContact CG2-CB 3.8Å; I210-W256 HydrophobicContact CG2-CG 4.1Å; I210-K259 PolarHBondContact O-NZ 3.09Å; I210-M285 HydrophobicContact CG2-CE 4.04Å
211	S	97.9	Very high	98.6	Very high	55 Å²	55	17.8 Å²	17.8	39%	0.385	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.3	-33.2	-173.3	62.9	0	0	0	0	114.8	T207 Q208	T207-S211 PolarHBondContact O-N 3.37Å; T207-S211 PolarHBondContact O-OG 3.46Å; Q208-S211 WeakPolarHBondContact CA-OG 3.28Å; Q208-S211 PolarHBondContact O-N 2.89Å
212	N	98.4	Very high	98.7	Very high	55 Å²	55	15.8 Å²	15.8	29%	0.294	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-40.7	-169.3	-70.3	8.4	0	0	0	112.9	Y179 Q208	Y179-N212 VanDerWaalsContact O-CB 3.25Å; Y179-N212 WeakPolarHBondContact O-CB 3.38Å; Y179-N212 PolarHBondContact O-ND2 3.16Å; Q208-N212 WeakPolarHBondContact O-CB 3.35Å; Q208-N212 PolarHBondContact O-N 3.11Å; Q208-N212 PolarHBondContact OE1-ND2 3.01Å
213	V	97.6	Very high	98.7	Very high	12 Å²	12	15.1 Å²	15.1	7%	0.073	8%	0.083	C	C	.	.	S	Bend	trans	-133.1	136.9	-177.2	-172	0	0	0	0	107.7	M152 N153 K156 V162 I215	M152-V213 HydrophobicContact CE-CG1 4.46Å; N153-V213 HydrophobicContact CB-CG2 4.01Å; N153-V213 WeakPolarHBondContact ND2-CG2 3.33Å; K156-V213 HydrophobicContact CB-CG1 4.24Å; K156-V213 HydrophobicContact CG-CG1 4.32Å; V162-V213 HydrophobicContact CG2-CG1 4.46Å; V213-I215 HydrophobicContact CB-CG1 4.05Å; V213-I215 HydrophobicContact CG1-CG1 4.12Å; V213-I215 PolarHBondContact O-N 2.75Å
214	D	98.3	Very high	98.7	Very high	58 Å²	58	13.4 Å²	13.4	31%	0.31	7%	0.074	S	C	.	.			trans	-75.8	104	166.7	169	23.3	0	0	0	108.5	K156 H260 H283	K156-D214 VanDerWaalsContact CD-O 3.25Å; K156-D214 WeakPolarHBondContact CD-O 3.36Å; K156-D214 WeakPolarHBondContact CE-O 3.35Å; K156-D214 WeakPolarHBondContact CE-OD2 3.24Å; K156-D214 WeakPolarHBondContact CG-O 3.15Å; K156-D214 PolarHBondContact NZ-O 3.48Å; K156-D214 IonicContact NZ-OD1 3.89Å; K156-D214 IonicContact NZ-OD2 3.79Å; K156-D214 PolarHBondContact NZ-OD2 3.01Å; D214-H260 IonicContact OD1-CD2 3.24Å; D214-H260 PolarHBondContact OD1-CD2 2.81Å; D214-H260 IonicContact OD1-NE2 2.87Å; D214-H260 PolarHBondContact OD1-NE2 2.77Å; D214-H260 VanDerWaalsContact OD1-NE2 3.14Å; D214-H283 IonicContact OD1-CD2 3.49Å; D214-H283 PolarHBondContact OD1-CD2 2.83Å; D214-H283 IonicContact OD1-NE2 3.39Å; D214-H283 PolarHBondContact OD1-NE2 2.94Å; D214-H283 VanDerWaalsContact OD1-NE2 3.09Å; D214-H283 IonicContact OD2-NE2 2.91Å
215	I	98.9	Very high	98.7	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.005	7%	0.074	C	C	.	.			trans	-103.3	118.3	-176.8	-51.5	174.9	0	0	0	109.2	M152 V162 V164 Y179 L209 V213 V217 I218	M152-I215 HydrophobicContact CE-CD1 3.88Å; M152-I215 HydrophobicContact CE-CG1 3.98Å; V162-I215 HydrophobicContact CG2-CB 4.37Å; V162-I215 HydrophobicContact CG2-CG1 4.45Å; V162-I215 HydrophobicContact CG2-CG2 4.24Å; V164-I215 HydrophobicContact CG2-CG2 4.38Å; Y179-I215 HydrophobicContact CD1-CD1 3.92Å; Y179-I215 HydrophobicContact CG-CD1 4.18Å; L209-I215 HydrophobicContact CD1-CD1 3.94Å; V213-I215 HydrophobicContact CB-CG1 4.05Å; V213-I215 HydrophobicContact CG1-CG1 4.12Å; V213-I215 PolarHBondContact O-N 2.75Å; I215-V217 VanDerWaalsContact CG2-O 3.27Å; I215-V217 WeakPolarHBondContact CG2-O 3.23Å; I215-I218 HydrophobicContact CB-CD1 4.04Å; I215-I218 HydrophobicContact CB-CG1 3.89Å; I215-I218 HydrophobicContact CD1-CD1 4.4Å; I215-I218 HydrophobicContact CD1-CG1 4.37Å; I215-I218 HydrophobicContact CG2-CD1 4.28Å; I215-I218 HydrophobicContact CG2-CG1 3.55Å
216	D	98.9	Very high	98.7	Very high	11 Å²	11	13.4 Å²	13.4	6%	0.059	7%	0.074	C	C	.	.	S	Bend	trans	-70	-35.6	-177.6	-50.5	-125.3	0	0	0	111.7	K156 S161 V162 H283 L284 L317 L318	K156-D216 IonicContact NZ-OD1 3.61Å; K156-D216 PolarHBondContact NZ-OD1 3.37Å; K156-D216 IonicContact NZ-OD2 2.73Å; K156-D216 PolarHBondContact NZ-OD2 2.9Å; S161-D216 WeakPolarHBondContact CA-OD2 3.45Å; S161-D216 VanDerWaalsContact CB-OD1 3.28Å; S161-D216 WeakPolarHBondContact CB-OD1 3.27Å; S161-D216 PolarHBondContact OG-OD1 3Å; V162-D216 PolarHBondContact N-OD2 3.2Å; V162-D216 WeakPolarHBondContact O-CB 3.35Å; V162-D216 PolarHBondContact O-N 3.44Å; D216-H283 CarbonylContact O-C 3.51Å; D216-H283 VanDerWaalsContact O-CA 3.23Å; D216-H283 WeakPolarHBondContact O-CA 3.47Å; D216-L284 PolarHBondContact O-N 3.28Å; D216-L317 HydrophobicContact CB-CD2 4.32Å; D216-L318 HydrophobicContact CB-CD2 4.01Å
217	V	98.9	Very high	98.7	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	124.8	179.2	-179.1	0	0	0	0	111.8	V162 G163 V164 I215 L219 L284 A314 L317 L318	V162-V217 PolarHBondContact O-N 2.8Å; G163-V217 CarbonylContact C-O 3.51Å; G163-V217 WeakPolarHBondContact CA-O 3.46Å; V164-V217 PolarHBondContact N-O 3.01Å; I215-V217 VanDerWaalsContact CG2-O 3.27Å; I215-V217 WeakPolarHBondContact CG2-O 3.23Å; V217-L219 HydrophobicContact CG1-CD1 3.75Å; V217-L219 HydrophobicContact CG1-CD2 4.36Å; V217-L219 HydrophobicContact CG1-CG 3.63Å; V217-L284 CarbonylContact C-O 3.59Å; V217-L284 WeakPolarHBondContact CA-O 3.04Å; V217-A314 HydrophobicContact CB-CB 4.47Å; V217-A314 HydrophobicContact CG1-CB 3.77Å; V217-L317 HydrophobicContact CG2-CB 3.99Å; V217-L317 HydrophobicContact CG2-CD1 4.37Å; V217-L317 HydrophobicContact CG2-CD2 3.72Å; V217-L317 HydrophobicContact CG2-CG 4.23Å; V217-L318 HydrophobicContact CB-CD2 4.48Å; V217-L318 HydrophobicContact CG2-CD2 3.93Å; V217-L318 HydrophobicContact CG2-CG 4.02Å
218	I	99	Very high	98.7	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	108.9	175.9	-60.3	163.8	0	0	0	107.8	V170 L209 I215 L284 M285 G286	V170-I218 HydrophobicContact CB-CG2 4Å; V170-I218 HydrophobicContact CG1-CG2 3.82Å; V170-I218 HydrophobicContact CG2-CG2 4.03Å; L209-I218 HydrophobicContact CD1-CD1 3.91Å; L209-I218 HydrophobicContact CD1-CG1 4.3Å; L209-I218 HydrophobicContact CD1-CG2 4.23Å; L209-I218 HydrophobicContact CD2-CG2 4.35Å; L209-I218 HydrophobicContact CG-CD1 4.15Å; I215-I218 HydrophobicContact CB-CD1 4.04Å; I215-I218 HydrophobicContact CB-CG1 3.89Å; I215-I218 HydrophobicContact CD1-CD1 4.4Å; I215-I218 HydrophobicContact CD1-CG1 4.37Å; I215-I218 HydrophobicContact CG2-CD1 4.28Å; I215-I218 HydrophobicContact CG2-CG1 3.55Å; I218-L284 PolarHBondContact N-O 3.02Å; I218-M285 HydrophobicContact CB-CG 4.27Å; I218-M285 HydrophobicContact CD1-CE 3.56Å; I218-M285 HydrophobicContact CG2-CG 4.34Å; I218-M285 CarbonylContact O-C 3.54Å; I218-M285 WeakPolarHBondContact O-CA 3.27Å; I218-G286 PolarHBondContact O-N 2.87Å
219	L	99	Very high	98.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	127	-177.6	-58.3	177.3	0	0	0	111.1	V164 V165 T166 V217 L272 L284 G286 F288 M310 A313 A314	V164-L219 PolarHBondContact O-N 2.89Å; V165-L219 CarbonylContact C-O 3.56Å; V165-L219 VanDerWaalsContact CA-O 3.31Å; V165-L219 WeakPolarHBondContact CA-O 3.42Å; V165-L219 HydrophobicContact CG1-CB 4.38Å; V165-L219 HydrophobicContact CG2-CB 4.19Å; V165-L219 HydrophobicContact CG2-CD1 4.15Å; V165-L219 HydrophobicContact CG2-CG 4.49Å; T166-L219 PolarHBondContact N-O 2.92Å; V217-L219 HydrophobicContact CG1-CD1 3.75Å; V217-L219 HydrophobicContact CG1-CD2 4.36Å; V217-L219 HydrophobicContact CG1-CG 3.63Å; L219-L272 HydrophobicContact CD1-CD1 4.21Å; L219-L272 HydrophobicContact CD2-CD1 3.7Å; L219-L284 HydrophobicContact CD2-CD2 4.42Å; L219-L284 HydrophobicContact CD2-CG 4.29Å; L219-G286 WeakPolarHBondContact CA-O 3.47Å; L219-F288 HydrophobicContact CB-CE2 4.17Å; L219-F288 HydrophobicContact CD2-CE2 4.15Å; L219-F288 HydrophobicContact CD2-CZ 4.04Å; L219-M310 HydrophobicContact CB-CB 4.26Å; L219-M310 HydrophobicContact CB-CG 4.39Å; L219-M310 HydrophobicContact CB-SD 4.03Å; L219-M310 HydrophobicContact CD1-CB 3.98Å; L219-M310 VanDerWaalsContact CD1-O 3.22Å; L219-M310 WeakPolarHBondContact CD1-O 3.38Å; L219-A313 HydrophobicContact CD1-CB 4.33Å; L219-A314 HydrophobicContact CD1-CB 4.21Å
220	G	98.9	Very high	98.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.2	-151.7	174.6	0	0	0	0	0	112.3	T166 G286 L287 F288	T166-G220 WeakPolarHBondContact O-CA 3.44Å; G220-G286 PolarHBondContact N-O 2.92Å; G220-L287 CarbonylContact O-C 3.5Å; G220-L287 VanDerWaalsContact O-CA 3.25Å; G220-L287 WeakPolarHBondContact O-CA 3.37Å; G220-F288 VanDerWaalsContact O-CD2 3.3Å; G220-F288 WeakPolarHBondContact O-CD2 3.3Å; G220-F288 PolarHBondContact O-N 2.83Å
221	G	98.9	Very high	98.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-168.9	172.2	0	0	0	0	0	113.4	T168 V170 G291	T168-G221 PolarHBondContact O-N 2.85Å; V170-G221 PolarHBondContact N-O 2.89Å; G221-G291 CarbonylContact C-O 3.46Å; G221-G291 WeakPolarHBondContact CA-O 3.47Å
222	G	98.9	Very high	98.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.147	C	C	.	.			trans	101.7	30.1	167	0	0	0	0	0	115.4	Q171 K224 Y225 E289 P290 G291	Q171-G222 PolarHBondContact NE2-O 3.06Å; G222-K224 VanDerWaalsContact C-N 3.32Å; G222-K224 PolarHBondContact O-N 3.41Å; G222-Y225 WeakPolarHBondContact O-CD2 3.42Å; G222-E289 PolarHBondContact N-O 3.39Å; G222-P290 CarbonylContact C-O 3.49Å; G222-P290 WeakPolarHBondContact CA-O 3.35Å; G222-G291 PolarHBondContact N-O 2.83Å
223	R	98.9	Very high	98.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-56.2	-44.1	177.2	-70.2	-170.6	-69.5	-105.1	5.4	112.6	Y225 M226 F227 D233 E235 Y265 W267 L287 F288 E289 P290	R223-Y225 PolarHBondContact O-N 2.95Å; R223-M226 WeakPolarHBondContact O-CB 3.42Å; R223-M226 PolarHBondContact O-N 2.82Å; R223-F227 HydrophobicContact CB-CE2 4.32Å; R223-F227 WeakPolarHBondContact O-CD2 3.38Å; R223-D233 IonicContact CZ-OD1 2.93Å; R223-D233 IonicContact CZ-OD2 2.64Å; R223-D233 IonicContact NE-OD1 3.81Å; R223-D233 IonicContact NE-OD2 2.71Å; R223-D233 PolarHBondContact NE-OD2 3.16Å; R223-D233 IonicContact NH2-OD1 2.77Å; R223-D233 PolarHBondContact NH2-OD1 3.4Å; R223-D233 IonicContact NH2-OD2 3.91Å; R223-D233 PolarHBondContact NH2-OD2 3.46Å; R223-E235 IonicContact CZ-OE2 2.76Å; R223-E235 IonicContact NH1-OE2 3.59Å; R223-E235 IonicContact NH2-OE2 3.9Å; R223-E235 PolarHBondContact NH2-OE2 2.91Å; R223-Y265 WeakPolarHBondContact CD-OH 3.49Å; R223-W267 PolarHBondContact NH1-O 3.01Å; R223-L287 HydrophobicContact CB-CB 4.49Å; R223-L287 WeakPolarHBondContact CD-O 3.31Å; R223-L287 HydrophobicContact CG-CB 3.4Å; R223-L287 HydrophobicContact CG-CD1 4.4Å; R223-L287 VanDerWaalsContact CG-O 3.3Å; R223-L287 WeakPolarHBondContact CG-O 3.48Å; R223-L287 PolarHBondContact NH1-O 2.96Å; R223-F288 VanDerWaalsContact NH1-CA 3.32Å; R223-F288 PolarHBondContact NH1-O 2.83Å; R223-E289 PolarHBondContact N-O 2.95Å; R223-P290 PolarHBondContact N-O 3.3Å
224	K	98.8	Very high	98.8	Very high	50 Å²	50	27.7 Å²	27.7	22%	0.217	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-61.9	-24.7	-167.6	77.4	-172.5	179.9	176.6	0	114.3	G222 M226 G244 I245 P290	G222-K224 VanDerWaalsContact C-N 3.32Å; G222-K224 PolarHBondContact O-N 3.41Å; K224-M226 VanDerWaalsContact C-N 3.27Å; K224-M226 PolarHBondContact O-N 2.89Å; K224-G244 WeakPolarHBondContact O-CA 3.48Å; K224-I245 HydrophobicContact CB-CG2 4.48Å; K224-I245 HydrophobicContact CD-CG2 4.48Å; K224-I245 HydrophobicContact CG-CG2 4.47Å; K224-I245 PolarHBondContact O-N 3.3Å; K224-P290 HydrophobicContact CB-CB 4.36Å; K224-P290 VanDerWaalsContact CG-O 3.29Å; K224-P290 WeakPolarHBondContact CG-O 3.38Å; K224-P290 PolarHBondContact N-O 2.66Å; K224-P290 VanDerWaalsContact N-O 3.14Å
225	Y	98.9	Very high	98.8	Very high	7 Å²	7	26.4 Å²	26.4	3%	0.027	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-78.5	-11.3	178.9	-49.9	-73.5	0	0	0	113.5	R169 Y188 G222 R223 I245 R246	R169-Y225 HydrophobicContact CB-CE2 4.43Å; R169-Y225 WeakPolarHBondContact CD-OH 3.35Å; R169-Y225 HydrophobicContact CG-CE2 3.79Å; R169-Y225 PolarHBondContact NH1-OH 2.93Å; Y188-Y225 VanDerWaalsContact CB-CD1 3.42Å; Y188-Y225 HydrophobicContact CD2-CE1 4.15Å; Y188-Y225 HydrophobicContact CG-CD1 4.48Å; Y188-Y225 AromaticContact CG-CE1 3.99Å; Y188-Y225 HydrophobicContact CG-CE1 3.99Å; G222-Y225 WeakPolarHBondContact O-CD2 3.42Å; R223-Y225 PolarHBondContact O-N 2.95Å; Y225-I245 HydrophobicContact CD1-CD1 3.67Å; Y225-I245 HydrophobicContact CD1-CG1 4.25Å; Y225-I245 HydrophobicContact CE1-CD1 3.76Å; Y225-R246 WeakPolarHBondContact O-CD 3.46Å; Y225-R246 WeakPolarHBondContact O-CG 3.28Å; Y225-R246 PolarHBondContact O-NH1 3.34Å
226	M	98.9	Very high	98.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-98.7	-8.6	-173.8	-52.3	-58.9	-76.1	0	0	113.6	Q171 A206 L209 I210 R223 K224 L252 V253 M285 L287	Q171-M226 PolarHBondContact NE2-SD 2.86Å; A206-M226 HydrophobicContact CB-SD 3.7Å; L209-M226 HydrophobicContact CD2-CE 4.09Å; L209-M226 HydrophobicContact CD2-SD 4.37Å; I210-M226 HydrophobicContact CG2-CE 3.83Å; R223-M226 WeakPolarHBondContact O-CB 3.42Å; R223-M226 PolarHBondContact O-N 2.82Å; K224-M226 VanDerWaalsContact C-N 3.27Å; K224-M226 PolarHBondContact O-N 2.89Å; M226-L252 HydrophobicContact CB-CB 4.35Å; M226-L252 HydrophobicContact CE-CB 3.68Å; M226-L252 HydrophobicContact CE-CD1 4.32Å; M226-L252 PolarHBondContact O-N 2.89Å; M226-L252 HydrophobicContact SD-CB 4.33Å; M226-L252 HydrophobicContact SD-CD1 4.2Å; M226-V253 HydrophobicContact CB-CG2 3.89Å; M226-V253 HydrophobicContact CE-CG2 4.48Å; M226-V253 HydrophobicContact CG-CG2 4.35Å; M226-M285 HydrophobicContact CE-CE 4.29Å; M226-M285 HydrophobicContact CE-SD 4.28Å; M226-L287 HydrophobicContact CG-CD1 3.68Å
227	F	98.9	Very high	98.7	Very high	32 Å²	32	32.7 Å²	32.7	14%	0.14	18%	0.175	C	C	.	.	S	Bend	trans	-126.5	148.4	-171.3	-62.6	-74.2	0	0	0	112.5	R223 T231 G244 I245 R246 Y251 V253	R223-F227 HydrophobicContact CB-CE2 4.32Å; R223-F227 WeakPolarHBondContact O-CD2 3.38Å; F227-T231 HydrophobicContact CB-CG2 4.01Å; F227-T231 HydrophobicContact CD1-CG2 4.32Å; F227-T231 HydrophobicContact CG-CG2 4.29Å; F227-G244 CarbonylContact O-C 3.54Å; F227-G244 WeakPolarHBondContact O-CA 3.47Å; F227-I245 PolarHBondContact O-N 3.31Å; F227-R246 WeakPolarHBondContact O-CB 3.31Å; F227-R246 WeakPolarHBondContact O-CG 3.37Å; F227-R246 PolarHBondContact O-N 3.46Å; F227-Y251 AromaticContact CD1-CD1 3.72Å; F227-Y251 HydrophobicContact CD1-CD1 3.72Å; F227-Y251 HydrophobicContact CD1-CE1 4.17Å; F227-Y251 HydrophobicContact CE1-CD1 4.3Å; F227-V253 HydrophobicContact CE1-CB 4.12Å; F227-V253 HydrophobicContact CE1-CG2 4.25Å; F227-V253 HydrophobicContact CE2-CG2 4.19Å; F227-V253 HydrophobicContact CZ-CB 3.97Å; F227-V253 HydrophobicContact CZ-CG1 4.49Å; F227-V253 HydrophobicContact CZ-CG2 3.66Å
228	P	98.8	Very high	98.7	Very high	14 Å²	14	38.5 Å²	38.5	9%	0.091	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-58.8	152.9	177.7	-27.6	39.4	0	0	0	113.5	G230 T231 G244 G249 K250 Y251	P228-G230 PolarHBondContact O-N 3.23Å; P228-T231 VanDerWaalsContact O-CB 3.31Å; P228-T231 WeakPolarHBondContact O-CB 3.5Å; P228-T231 PolarHBondContact O-N 2.93Å; P228-T231 PolarHBondContact O-OG1 2.92Å; P228-G244 CarbonylContact O-C 3.59Å; P228-G249 WeakPolarHBondContact CG-O 3.4Å; P228-K250 WeakPolarHBondContact CD-O 3.4Å; P228-K250 WeakPolarHBondContact CG-O 3.16Å; P228-Y251 HydrophobicContact CG-CD1 4.38Å; P228-Y251 HydrophobicContact CG-CD2 3.7Å; P228-Y251 HydrophobicContact CG-CE1 4.12Å; P228-Y251 HydrophobicContact CG-CE2 3.45Å; P228-Y251 VanDerWaalsContact CG-CE2 3.45Å; P228-Y251 HydrophobicContact CG-CG 4.16Å
229	R	98.6	Very high	98.6	Very high	193 Å²	193	41.5 Å²	41.5	73%	0.728	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49	122.2	177.2	-169.2	176	-178.7	-177.5	1.4	111.8	G244 R246	R229-G244 CarbonylContact C-O 3.46Å; R229-G244 WeakPolarHBondContact CA-O 3.48Å; R229-R246 WeakPolarHBondContact CB-O 3.31Å; R229-R246 PolarHBondContact N-O 2.97Å
230	G	98.1	Very high	98.6	Very high	45 Å²	45	45.2 Å²	45.2	46%	0.464	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.5	-0.6	176.8	0	0	0	0	0	115.1	P228 P232 G244	P228-G230 PolarHBondContact O-N 3.23Å; G230-P232 VanDerWaalsContact O-CD 3.27Å; G230-P232 WeakPolarHBondContact O-CD 3.42Å; G230-G244 PolarHBondContact N-O 3.14Å
231	T	98.8	Very high	98.5	Very high	27 Å²	27	48.9 Å²	48.9	17%	0.166	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-63.9	118.1	169.7	-55.8	0	0	0	0	109.1	F227 P228 D233 N243 G244 Y251	F227-T231 HydrophobicContact CB-CG2 4.01Å; F227-T231 HydrophobicContact CD1-CG2 4.32Å; F227-T231 HydrophobicContact CG-CG2 4.29Å; P228-T231 VanDerWaalsContact O-CB 3.31Å; P228-T231 WeakPolarHBondContact O-CB 3.5Å; P228-T231 PolarHBondContact O-N 2.93Å; P228-T231 PolarHBondContact O-OG1 2.92Å; T231-D233 PolarHBondContact O-N 2.88Å; T231-N243 CarbonylContact O-C 3.56Å; T231-N243 VanDerWaalsContact O-CA 3.23Å; T231-N243 WeakPolarHBondContact O-CA 3.35Å; T231-N243 VanDerWaalsContact O-CB 3.24Å; T231-N243 WeakPolarHBondContact O-CB 3.41Å; T231-G244 PolarHBondContact O-N 3.29Å; T231-Y251 HydrophobicContact CG2-CE1 4.21Å
232	P	98.8	Very high	98.5	Very high	80 Å²	80	51.1 Å²	51.1	52%	0.519	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-60.1	136	-179.5	-24.5	35.7	0	0	0	112.2	G230 P237 N243	G230-P232 VanDerWaalsContact O-CD 3.27Å; G230-P232 WeakPolarHBondContact O-CD 3.42Å; P232-P237 HydrophobicContact CB-CB 4.46Å; P232-N243 WeakPolarHBondContact CA-OD1 3.37Å
233	D	98.8	Very high	98.5	Very high	5 Å²	5	52.2 Å²	52.2	3%	0.027	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-67.2	136.5	171.2	-172.6	-90.8	0	0	0	110.1	R223 T231 E235 Y236 P237 Q242 P290	R223-D233 IonicContact CZ-OD1 2.93Å; R223-D233 IonicContact CZ-OD2 2.64Å; R223-D233 IonicContact NE-OD1 3.81Å; R223-D233 IonicContact NE-OD2 2.71Å; R223-D233 PolarHBondContact NE-OD2 3.16Å; R223-D233 IonicContact NH2-OD1 2.77Å; R223-D233 PolarHBondContact NH2-OD1 3.4Å; R223-D233 IonicContact NH2-OD2 3.91Å; R223-D233 PolarHBondContact NH2-OD2 3.46Å; T231-D233 PolarHBondContact O-N 2.88Å; D233-E235 PolarHBondContact O-N 3.25Å; D233-E235 WeakPolarHBondContact OD1-CB 3.47Å; D233-E235 PolarHBondContact OD1-N 3.31Å; D233-Y236 CarbonylContact O-C 3.48Å; D233-Y236 PolarHBondContact O-N 3.25Å; D233-Y236 WeakPolarHBondContact OD1-CD2 3.48Å; D233-Y236 PolarHBondContact OD1-N 2.84Å; D233-P237 WeakPolarHBondContact O-CA 3.5Å; D233-Q242 HydrophobicContact CB-CB 3.95Å; D233-P290 HydrophobicContact CB-CG 4.48Å
234	P	98.6	Very high	98.5	Very high	58 Å²	58	52.5 Å²	52.5	38%	0.377	31%	0.308	S	S	.	.	S	Bend	trans	-64.9	-25.9	-175.9	25.5	-36	0	0	0	114	W267	P234-W267 HydrophobicContact CB-CD2 3.91Å; P234-W267 HydrophobicContact CB-CE3 4.28Å; P234-W267 HydrophobicContact CB-CG 4.25Å; P234-W267 HydrophobicContact CB-CZ2 4.39Å; P234-W267 HydrophobicContact CG-CB 4.23Å; P234-W267 HydrophobicContact CG-CD2 3.88Å; P234-W267 HydrophobicContact CG-CE3 4.2Å; P234-W267 HydrophobicContact CG-CG 3.86Å
235	E	98.5	Very high	98.5	Very high	31 Å²	31	52.1 Å²	52.1	15%	0.145	31%	0.308	C	S	.	.	S	Bend	trans	-94.8	-33	-179.1	-169.7	179.6	176	0	0	111.8	R223 D233 P237 W267 K294 L303	R223-E235 IonicContact CZ-OE2 2.76Å; R223-E235 IonicContact NH1-OE2 3.59Å; R223-E235 IonicContact NH2-OE2 3.9Å; R223-E235 PolarHBondContact NH2-OE2 2.91Å; D233-E235 PolarHBondContact O-N 3.25Å; D233-E235 WeakPolarHBondContact OD1-CB 3.47Å; D233-E235 PolarHBondContact OD1-N 3.31Å; E235-P237 VanDerWaalsContact O-CD 3.27Å; E235-P237 WeakPolarHBondContact O-CD 3.28Å; E235-W267 HydrophobicContact CB-CE3 4.41Å; E235-W267 HydrophobicContact CB-CZ3 4.19Å; E235-K294 IonicContact OE1-NZ 3.46Å; E235-K294 PolarHBondContact OE1-NZ 3.34Å; E235-L303 HydrophobicContact CG-CD1 4.37Å
236	Y	98.4	Very high	98.5	Very high	59 Å²	59	51.9 Å²	51.9	23%	0.231	31%	0.307	C	S	.	.			trans	-119.8	55.7	-178.8	-50.3	-81	0	0	0	113.2	D233 S238 D239 Q242 E289 P290 K294	D233-Y236 CarbonylContact O-C 3.48Å; D233-Y236 PolarHBondContact O-N 3.25Å; D233-Y236 WeakPolarHBondContact OD1-CD2 3.48Å; D233-Y236 PolarHBondContact OD1-N 2.84Å; Y236-S238 PolarHBondContact O-N 3.28Å; Y236-D239 PolarHBondContact O-N 2.83Å; Y236-Q242 HydrophobicContact CD2-CG 4.22Å; Y236-Q242 HydrophobicContact CG-CG 4.09Å; Y236-E289 WeakPolarHBondContact CE2-OE2 3.47Å; Y236-E289 VanDerWaalsContact OH-CD 3.31Å; Y236-E289 PolarHBondContact OH-OE1 3.01Å; Y236-E289 PolarHBondContact OH-OE2 2.86Å; Y236-E289 VanDerWaalsContact OH-OE2 3.09Å; Y236-P290 HydrophobicContact CD2-CG 3.67Å; Y236-P290 HydrophobicContact CE2-CG 3.94Å; Y236-K294 WeakPolarHBondContact OH-CE 3.44Å; Y236-K294 PolarHBondContact OH-NZ 3.3Å
237	P	98	Very high	98.5	Very high	85 Å²	85	56.6 Å²	56.6	55%	0.552	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-16.3	-171.5	27.6	-36.8	0	0	0	114.1	P232 D233 E235	P232-P237 HydrophobicContact CB-CB 4.46Å; D233-P237 WeakPolarHBondContact O-CA 3.5Å; E235-P237 VanDerWaalsContact O-CD 3.27Å; E235-P237 WeakPolarHBondContact O-CD 3.28Å
238	S	97.9	Very high	98.4	Very high	123 Å²	123	57.9 Å²	57.9	86%	0.86	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-8.2	177.6	54.1	0	0	0	0	114.1	Y236	Y236-S238 PolarHBondContact O-N 3.28Å
239	D	98.3	Very high	98.4	Very high	62 Å²	62	59.5 Å²	59.5	33%	0.332	36%	0.359	S	S	.	.			trans	-106.3	99.1	178.9	-177.5	0.3	0	0	0	110.6	Y236 S241 Q242 N243	Y236-D239 PolarHBondContact O-N 2.83Å; D239-S241 PolarHBondContact O-N 2.84Å; D239-S241 VanDerWaalsContact OD1-CB 3.31Å; D239-S241 WeakPolarHBondContact OD1-CB 3.47Å; D239-S241 PolarHBondContact OD1-N 2.84Å; D239-S241 PolarHBondContact OD1-OG 3.3Å; D239-S241 PolarHBondContact OD2-OG 2.86Å; D239-S241 VanDerWaalsContact OD2-OG 3.05Å; D239-Q242 HydrophobicContact CB-CG 3.99Å; D239-Q242 PolarHBondContact O-N 2.93Å; D239-Q242 WeakPolarHBondContact OD2-CG 3.36Å; D239-Q242 PolarHBondContact OD2-NE2 2.7Å; D239-Q242 VanDerWaalsContact OD2-NE2 3.1Å; D239-N243 PolarHBondContact O-OD1 2.7Å
240	A	97.6	Very high	98.4	Very high	78 Å²	78	54.1 Å²	54.1	65%	0.645	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-17.6	-179.8	0	0	0	0	0	114.1	Q242	A240-Q242 VanDerWaalsContact C-N 3.27Å
241	S	98.1	Very high	98.4	Very high	77 Å²	77	57.5 Å²	57.5	54%	0.538	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-17.3	175.9	75.4	0	0	0	0	113.4	D239	D239-S241 PolarHBondContact O-N 2.84Å; D239-S241 VanDerWaalsContact OD1-CB 3.31Å; D239-S241 WeakPolarHBondContact OD1-CB 3.47Å; D239-S241 PolarHBondContact OD1-N 2.84Å; D239-S241 PolarHBondContact OD1-OG 3.3Å; D239-S241 PolarHBondContact OD2-OG 2.86Å; D239-S241 VanDerWaalsContact OD2-OG 3.05Å
242	Q	98.5	Very high	98.4	Very high	48 Å²	48	56.2 Å²	56.2	22%	0.224	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-12.9	175.9	-53.9	-45.8	-35.6	0	0	113.4	D233 Y236 D239 A240 P290	D233-Q242 HydrophobicContact CB-CB 3.95Å; Y236-Q242 HydrophobicContact CD2-CG 4.22Å; Y236-Q242 HydrophobicContact CG-CG 4.09Å; D239-Q242 HydrophobicContact CB-CG 3.99Å; D239-Q242 PolarHBondContact O-N 2.93Å; D239-Q242 WeakPolarHBondContact OD2-CG 3.36Å; D239-Q242 PolarHBondContact OD2-NE2 2.7Å; D239-Q242 VanDerWaalsContact OD2-NE2 3.1Å; A240-Q242 VanDerWaalsContact C-N 3.27Å; Q242-P290 HydrophobicContact CB-CB 3.97Å; Q242-P290 HydrophobicContact CB-CG 3.68Å; Q242-P290 HydrophobicContact CG-CG 3.99Å; Q242-P290 VanDerWaalsContact OE1-CB 3.3Å
243	N	98.7	Very high	98.4	Very high	23 Å²	23	52.7 Å²	52.7	12%	0.123	31%	0.309	C	S	.	.	S	Bend	trans	-59.6	158.4	-177.4	-70.1	5.5	0	0	0	112.1	T231 P232 D239 I245	T231-N243 CarbonylContact O-C 3.56Å; T231-N243 VanDerWaalsContact O-CA 3.23Å; T231-N243 WeakPolarHBondContact O-CA 3.35Å; T231-N243 VanDerWaalsContact O-CB 3.24Å; T231-N243 WeakPolarHBondContact O-CB 3.41Å; P232-N243 WeakPolarHBondContact CA-OD1 3.37Å; D239-N243 PolarHBondContact O-OD1 2.7Å; N243-I245 WeakPolarHBondContact O-CG2 3.35Å
244	G	98.8	Very high	98.4	Very high	5 Å²	5	57.7 Å²	57.7	5%	0.052	33%	0.333	C	S	.	.			trans	-48.4	145.7	171	0	0	0	0	0	111.7	K224 F227 P228 R229 G230 T231	K224-G244 WeakPolarHBondContact O-CA 3.48Å; F227-G244 CarbonylContact O-C 3.54Å; F227-G244 WeakPolarHBondContact O-CA 3.47Å; P228-G244 CarbonylContact O-C 3.59Å; R229-G244 CarbonylContact C-O 3.46Å; R229-G244 WeakPolarHBondContact CA-O 3.48Å; G230-G244 PolarHBondContact N-O 3.14Å; T231-G244 PolarHBondContact O-N 3.29Å
245	I	98.7	Very high	98.4	Very high	43 Å²	43	58.3 Å²	58.3	22%	0.221	33%	0.331	C	S	.	.			trans	-120.3	-7.7	-173.3	68.4	167.7	0	0	0	114.4	S189 A191 K224 Y225 F227 N243 L247	S189-I245 VanDerWaalsContact OG-CD1 3.31Å; S189-I245 WeakPolarHBondContact OG-CD1 3.27Å; A191-I245 HydrophobicContact CB-CD1 4.42Å; K224-I245 HydrophobicContact CB-CG2 4.48Å; K224-I245 HydrophobicContact CD-CG2 4.48Å; K224-I245 HydrophobicContact CG-CG2 4.47Å; K224-I245 PolarHBondContact O-N 3.3Å; Y225-I245 HydrophobicContact CD1-CD1 3.67Å; Y225-I245 HydrophobicContact CD1-CG1 4.25Å; Y225-I245 HydrophobicContact CE1-CD1 3.76Å; F227-I245 PolarHBondContact O-N 3.31Å; N243-I245 WeakPolarHBondContact O-CG2 3.35Å; I245-L247 PolarHBondContact O-N 2.92Å
246	R	98.7	Very high	98.4	Very high	2 Å²	2	57 Å²	57	1%	0.008	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-61.5	136.5	-173.8	-60.2	-171.3	69.5	76.3	2.7	112.5	D190 D204 T207 Y225 F227 R229 D248 K250 L252	D190-R246 VanDerWaalsContact OD1-CA 3.23Å; D190-R246 WeakPolarHBondContact OD1-CA 3.47Å; D190-R246 WeakPolarHBondContact OD1-CB 3.38Å; D190-R246 IonicContact OD1-CZ 3.91Å; D190-R246 IonicContact OD1-NE 3.67Å; D190-R246 IonicContact OD1-NH1 3.57Å; D190-R246 IonicContact OD1-NH2 3.62Å; D204-R246 IonicContact OD1-CZ 3.7Å; D204-R246 IonicContact OD1-NH1 3.64Å; D204-R246 PolarHBondContact OD1-NH1 3.2Å; D204-R246 IonicContact OD1-NH2 2.82Å; D204-R246 IonicContact OD2-NH1 3.74Å; D204-R246 IonicContact OD2-NH2 2.74Å; D204-R246 PolarHBondContact OD2-NH2 3.25Å; T207-R246 PolarHBondContact OG1-NH2 3.42Å; T207-R246 VanDerWaalsContact OG1-NH2 3.11Å; Y225-R246 WeakPolarHBondContact O-CD 3.46Å; Y225-R246 WeakPolarHBondContact O-CG 3.28Å; Y225-R246 PolarHBondContact O-NH1 3.34Å; F227-R246 WeakPolarHBondContact O-CB 3.31Å; F227-R246 WeakPolarHBondContact O-CG 3.37Å; F227-R246 PolarHBondContact O-N 3.46Å; R229-R246 WeakPolarHBondContact CB-O 3.31Å; R229-R246 PolarHBondContact N-O 2.97Å; R246-D248 IonicContact CZ-OD1 3.72Å; R246-D248 IonicContact CZ-OD2 2.97Å; R246-D248 IonicContact NE-OD1 3.59Å; R246-D248 PolarHBondContact NE-OD1 3.03Å; R246-D248 IonicContact NE-OD2 3.51Å; R246-D248 IonicContact NH2-OD1 2.79Å; R246-D248 IonicContact NH2-OD2 3.26Å; R246-D248 PolarHBondContact NH2-OD2 3.07Å; R246-K250 WeakPolarHBondContact CD-O 3.31Å; R246-L252 VanDerWaalsContact CZ-CD1 3.49Å
247	L	98.6	Very high	98.4	Very high	98 Å²	98	56.2 Å²	56.2	51%	0.513	32%	0.324	S	S	.	.	S	Bend	trans	-94	-17.7	-178.8	-55	179.7	0	0	0	112.6	D190 A191 I245 G249	D190-L247 PolarHBondContact OD1-N 3.46Å; D190-L247 VanDerWaalsContact OD2-CA 3.3Å; D190-L247 WeakPolarHBondContact OD2-CA 3.36Å; D190-L247 VanDerWaalsContact OD2-CB 3.3Å; D190-L247 WeakPolarHBondContact OD2-CB 3.5Å; D190-L247 PolarHBondContact OD2-N 2.5Å; A191-L247 HydrophobicContact CB-CD1 4.09Å; A191-L247 HydrophobicContact CB-CG 3.88Å; I245-L247 PolarHBondContact O-N 2.92Å; L247-G249 VanDerWaalsContact C-N 3.31Å; L247-G249 PolarHBondContact O-N 2.95Å
248	D	98.1	Very high	98.4	Very high	60 Å²	60	57.2 Å²	57.2	32%	0.321	33%	0.329	S	S	.	.	S	Bend	trans	-82.9	-0.8	-178.7	68.9	-0	0	0	0	115.1	D190 R246 K250	D190-D248 PolarHBondContact OD2-N 3.18Å; R246-D248 IonicContact CZ-OD1 3.72Å; R246-D248 IonicContact CZ-OD2 2.97Å; R246-D248 IonicContact NE-OD1 3.59Å; R246-D248 PolarHBondContact NE-OD1 3.03Å; R246-D248 IonicContact NE-OD2 3.51Å; R246-D248 IonicContact NH2-OD1 2.79Å; R246-D248 IonicContact NH2-OD2 3.26Å; R246-D248 PolarHBondContact NH2-OD2 3.07Å; D248-K250 HydrophobicContact CB-CG 4.46Å; D248-K250 PolarHBondContact O-N 2.93Å; D248-K250 WeakPolarHBondContact OD1-CB 3.07Å; D248-K250 PolarHBondContact OD1-N 2.85Å; D248-K250 VanDerWaalsContact OD1-N 3.09Å; D248-K250 VanDerWaalsContact OD2-CD 3.23Å; D248-K250 WeakPolarHBondContact OD2-CD 3.02Å; D248-K250 WeakPolarHBondContact OD2-CE 3.3Å; D248-K250 IonicContact OD2-NZ 2.73Å
249	G	97.8	Very high	98.3	Very high	48 Å²	48	56.7 Å²	56.7	50%	0.495	31%	0.311	S	S	.	.			trans	73.1	9.5	177.6	0	0	0	0	0	114.9	P228 L247	P228-G249 WeakPolarHBondContact CG-O 3.4Å; L247-G249 VanDerWaalsContact C-N 3.31Å; L247-G249 PolarHBondContact O-N 2.95Å
250	K	98.6	Very high	98.1	Very high	79 Å²	79	55.3 Å²	55.3	34%	0.343	30%	0.302	S	S	.	.			trans	-83.4	142.2	-177.6	-64.9	-176	-170.7	169.4	0	113.7	P228 R246 D248 L252 E255	P228-K250 WeakPolarHBondContact CD-O 3.4Å; P228-K250 WeakPolarHBondContact CG-O 3.16Å; R246-K250 WeakPolarHBondContact CD-O 3.31Å; D248-K250 HydrophobicContact CB-CG 4.46Å; D248-K250 PolarHBondContact O-N 2.93Å; D248-K250 WeakPolarHBondContact OD1-CB 3.07Å; D248-K250 PolarHBondContact OD1-N 2.85Å; D248-K250 VanDerWaalsContact OD1-N 3.09Å; D248-K250 VanDerWaalsContact OD2-CD 3.23Å; D248-K250 WeakPolarHBondContact OD2-CD 3.02Å; D248-K250 WeakPolarHBondContact OD2-CE 3.3Å; D248-K250 IonicContact OD2-NZ 2.73Å; K250-L252 HydrophobicContact CB-CD2 3.91Å; K250-L252 HydrophobicContact CB-CG 4.5Å; K250-L252 HydrophobicContact CD-CD2 4Å; K250-E255 WeakPolarHBondContact CD-OE1 3.38Å
251	Y	98.7	Very high	97.9	Very high	116 Å²	116	60.7 Å²	60.7	46%	0.455	31%	0.314	S	S	.	.			trans	-101.9	84.2	168.1	-72.9	-95	0	0	0	108.8	F227 P228 T231 V253 Q254 E255	F227-Y251 AromaticContact CD1-CD1 3.72Å; F227-Y251 HydrophobicContact CD1-CD1 3.72Å; F227-Y251 HydrophobicContact CD1-CE1 4.17Å; F227-Y251 HydrophobicContact CE1-CD1 4.3Å; P228-Y251 HydrophobicContact CG-CD1 4.38Å; P228-Y251 HydrophobicContact CG-CD2 3.7Å; P228-Y251 HydrophobicContact CG-CE1 4.12Å; P228-Y251 HydrophobicContact CG-CE2 3.45Å; P228-Y251 VanDerWaalsContact CG-CE2 3.45Å; P228-Y251 HydrophobicContact CG-CG 4.16Å; T231-Y251 HydrophobicContact CG2-CE1 4.21Å; Y251-V253 VanDerWaalsContact C-N 3.3Å; Y251-V253 PolarHBondContact O-N 2.83Å; Y251-Q254 WeakPolarHBondContact O-CB 3.44Å; Y251-Q254 PolarHBondContact O-N 2.83Å; Y251-E255 PolarHBondContact O-N 2.76Å
252	L	98.9	Very high	97.9	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-63.3	-33.5	-171.7	-64.5	-171.7	0	0	0	113.2	A206 I210 M226 R246 K250 Q254 E255 W256	A206-L252 VanDerWaalsContact C-CD1 3.5Å; A206-L252 HydrophobicContact CB-CD1 3.81Å; A206-L252 WeakPolarHBondContact O-CD1 3.31Å; I210-L252 HydrophobicContact CD1-CB 4Å; I210-L252 HydrophobicContact CD1-CD2 3.82Å; I210-L252 HydrophobicContact CD1-CG 4.4Å; M226-L252 HydrophobicContact CB-CB 4.35Å; M226-L252 HydrophobicContact CE-CB 3.68Å; M226-L252 HydrophobicContact CE-CD1 4.32Å; M226-L252 PolarHBondContact O-N 2.89Å; M226-L252 HydrophobicContact SD-CB 4.33Å; M226-L252 HydrophobicContact SD-CD1 4.2Å; R246-L252 VanDerWaalsContact CZ-CD1 3.49Å; K250-L252 HydrophobicContact CB-CD2 3.91Å; K250-L252 HydrophobicContact CB-CG 4.5Å; K250-L252 HydrophobicContact CD-CD2 4Å; L252-Q254 VanDerWaalsContact C-N 3.31Å; L252-Q254 PolarHBondContact O-N 3.36Å; L252-E255 PolarHBondContact O-N 2.83Å; L252-W256 WeakPolarHBondContact O-CB 3.31Å; L252-W256 PolarHBondContact O-N 3.38Å
253	V	98.8	Very high	97.9	Very high	6 Å²	6	57.2 Å²	57.2	4%	0.036	30%	0.302	C	S	.	.	H	α-helix	trans	-58.9	-44.4	171.9	167.8	0	0	0	0	110.6	M226 F227 Y251 W256 L257 Y265 M285 L287	M226-V253 HydrophobicContact CB-CG2 3.89Å; M226-V253 HydrophobicContact CE-CG2 4.48Å; M226-V253 HydrophobicContact CG-CG2 4.35Å; F227-V253 HydrophobicContact CE1-CB 4.12Å; F227-V253 HydrophobicContact CE1-CG2 4.25Å; F227-V253 HydrophobicContact CE2-CG2 4.19Å; F227-V253 HydrophobicContact CZ-CB 3.97Å; F227-V253 HydrophobicContact CZ-CG1 4.49Å; F227-V253 HydrophobicContact CZ-CG2 3.66Å; Y251-V253 VanDerWaalsContact C-N 3.3Å; Y251-V253 PolarHBondContact O-N 2.83Å; V253-W256 PolarHBondContact O-N 3.42Å; V253-L257 HydrophobicContact CG1-CD1 4.01Å; V253-L257 HydrophobicContact CG1-CG 4.43Å; V253-L257 VanDerWaalsContact O-CG 3.28Å; V253-L257 WeakPolarHBondContact O-CG 3.38Å; V253-L257 PolarHBondContact O-N 2.92Å; V253-Y265 HydrophobicContact CB-CD2 4.49Å; V253-Y265 HydrophobicContact CG1-CD1 3.87Å; V253-Y265 HydrophobicContact CG1-CD2 3.57Å; V253-Y265 HydrophobicContact CG1-CE1 4.35Å; V253-Y265 HydrophobicContact CG1-CE2 4.08Å; V253-Y265 HydrophobicContact CG1-CG 3.44Å; V253-Y265 VanDerWaalsContact CG1-CG 3.44Å; V253-Y265 HydrophobicContact CG2-CD2 4.02Å; V253-Y265 HydrophobicContact CG2-CE2 3.83Å; V253-M285 HydrophobicContact CG2-SD 3.9Å; V253-L287 HydrophobicContact CG2-CD1 4.3Å
254	Q	98.8	Very high	97.9	Very high	110 Å²	110	61.3 Å²	61.3	51%	0.514	32%	0.315	S	S	.	.	H	α-helix	trans	-68.9	-38.6	-179.7	-174.9	57.6	40.6	0	0	112.1	Y251 L252 W256 L257 T258	Y251-Q254 WeakPolarHBondContact O-CB 3.44Å; Y251-Q254 PolarHBondContact O-N 2.83Å; L252-Q254 VanDerWaalsContact C-N 3.31Å; L252-Q254 PolarHBondContact O-N 3.36Å; Q254-W256 VanDerWaalsContact C-N 3.34Å; Q254-L257 PolarHBondContact O-N 3.27Å; Q254-T258 PolarHBondContact NE2-OG1 2.93Å; Q254-T258 WeakPolarHBondContact O-CB 3.2Å; Q254-T258 PolarHBondContact O-N 2.88Å; Q254-T258 VanDerWaalsContact O-N 3.09Å; Q254-T258 PolarHBondContact O-OG1 3.4Å
255	E	98.6	Very high	97.9	Very high	72 Å²	72	63.1 Å²	63.1	34%	0.336	32%	0.321	S	S	.	.	H	α-helix	trans	-60.4	-45	173	-70	-175.8	-149.4	0	0	111.2	I210 K250 Y251 L252 T258 K259	I210-E255 HydrophobicContact CD1-CB 3.83Å; K250-E255 WeakPolarHBondContact CD-OE1 3.38Å; Y251-E255 PolarHBondContact O-N 2.76Å; L252-E255 PolarHBondContact O-N 2.83Å; E255-T258 PolarHBondContact O-N 3.43Å; E255-K259 WeakPolarHBondContact O-CG 3.49Å; E255-K259 PolarHBondContact O-N 3.45Å
256	W	98.7	Very high	97.9	Very high	3 Å²	3	61.2 Å²	61.2	1%	0.011	31%	0.311	C	S	.	.	H	α-helix	trans	-65	-43.1	177.8	-178.9	87.1	0	0	0	112.8	I210 L252 V253 Q254 T258 K259 H260 A263 H283 M285	I210-W256 HydrophobicContact CB-CB 4.11Å; I210-W256 HydrophobicContact CB-CG 4.44Å; I210-W256 HydrophobicContact CG2-CB 3.8Å; I210-W256 HydrophobicContact CG2-CG 4.1Å; L252-W256 WeakPolarHBondContact O-CB 3.31Å; L252-W256 PolarHBondContact O-N 3.38Å; V253-W256 PolarHBondContact O-N 3.42Å; Q254-W256 VanDerWaalsContact C-N 3.34Å; W256-T258 PolarHBondContact O-N 3.46Å; W256-K259 PolarHBondContact O-N 2.82Å; W256-H260 AromaticContact CD1-CE1 3.76Å; W256-H260 AromaticContact NE1-CE1 3.67Å; W256-H260 AromaticContact NE1-ND1 3.94Å; W256-H260 PolarHBondContact O-ND1 2.84Å; W256-A263 HydrophobicContact CE3-CB 4.38Å; W256-A263 HydrophobicContact CH2-CB 4.24Å; W256-A263 HydrophobicContact CZ3-CB 3.87Å; W256-H283 HydrophobicContact CH2-CB 3.62Å; W256-H283 HydrophobicContact CZ2-CB 3.68Å; W256-M285 HydrophobicContact CB-CE 4.16Å; W256-M285 HydrophobicContact CD2-CB 4.48Å; W256-M285 HydrophobicContact CD2-CE 3.65Å; W256-M285 HydrophobicContact CE3-CB 3.98Å; W256-M285 HydrophobicContact CE3-CE 4.09Å; W256-M285 HydrophobicContact CE3-SD 4.49Å; W256-M285 HydrophobicContact CG-CE 3.67Å; W256-M285 HydrophobicContact CH2-CB 3.72Å; W256-M285 HydrophobicContact CZ2-CB 4.24Å; W256-M285 HydrophobicContact CZ3-CB 3.57Å
257	L	98.6	Very high	97.9	Very high	43 Å²	43	64.1 Å²	64.1	23%	0.225	32%	0.322	C	S	.	.	H	α-helix	trans	-59.8	-36.3	176	-73.9	171.3	0	0	0	112.3	V253 Q254 K259 A263	V253-L257 HydrophobicContact CG1-CD1 4.01Å; V253-L257 HydrophobicContact CG1-CG 4.43Å; V253-L257 VanDerWaalsContact O-CG 3.28Å; V253-L257 WeakPolarHBondContact O-CG 3.38Å; V253-L257 PolarHBondContact O-N 2.92Å; Q254-L257 PolarHBondContact O-N 3.27Å; L257-K259 VanDerWaalsContact C-N 3.33Å; L257-A263 HydrophobicContact CD2-CB 3.74Å
258	T	97.6	Very high	97.9	Very high	106 Å²	106	60.3 Å²	60.3	65%	0.65	30%	0.302	S	S	*	.	H	α-helix	trans	-75.6	-23.9	-177	-56.1	0	0	0	0	112.3	Q254 E255 W256	Q254-T258 PolarHBondContact NE2-OG1 2.93Å; Q254-T258 WeakPolarHBondContact O-CB 3.2Å; Q254-T258 PolarHBondContact O-N 2.88Å; Q254-T258 VanDerWaalsContact O-N 3.09Å; Q254-T258 PolarHBondContact O-OG1 3.4Å; E255-T258 PolarHBondContact O-N 3.43Å; W256-T258 PolarHBondContact O-N 3.46Å
259	K	95.6	Very high	98	Very high	111 Å²	111	60.6 Å²	60.6	48%	0.483	30%	0.299	S	S	.	.	H	α-helix	trans	-74.9	-23.8	178.8	-73.6	175.8	-170.5	-176.2	0	113.7	I210 E255 W256 L257	I210-K259 PolarHBondContact O-NZ 3.09Å; E255-K259 WeakPolarHBondContact O-CG 3.49Å; E255-K259 PolarHBondContact O-N 3.45Å; W256-K259 PolarHBondContact O-N 2.82Å; L257-K259 VanDerWaalsContact C-N 3.33Å
260	H	93.8	Very high	98	Very high	33 Å²	33	61.8 Å²	61.8	15%	0.153	30%	0.297	C	S	.	.	S	Bend	trans	-128.1	123.8	-170	-44.7	87	0	0	0	111.9	D214 W256 A263 H283	D214-H260 IonicContact OD1-CD2 3.24Å; D214-H260 PolarHBondContact OD1-CD2 2.81Å; D214-H260 IonicContact OD1-NE2 2.87Å; D214-H260 PolarHBondContact OD1-NE2 2.77Å; D214-H260 VanDerWaalsContact OD1-NE2 3.14Å; W256-H260 AromaticContact CD1-CE1 3.76Å; W256-H260 AromaticContact NE1-CE1 3.67Å; W256-H260 AromaticContact NE1-ND1 3.94Å; W256-H260 PolarHBondContact O-ND1 2.84Å; H260-A263 HydrophobicContact CB-CB 4.08Å; H260-A263 VanDerWaalsContact O-CB 3.31Å; H260-A263 WeakPolarHBondContact O-CB 3.42Å; H260-A263 PolarHBondContact O-N 3.03Å; H260-H283 HydrophobicContact CB-CB 4.32Å; H260-H283 AromaticContact CD2-CD2 3.68Å; H260-H283 AromaticContact CD2-NE2 3.63Å; H260-H283 AromaticContact CG-CD2 3.89Å
261	Q	94.1	Very high	98	Very high	191 Å²	191	61.1 Å²	61.1	89%	0.893	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	132.8	169.1	-70.8	-176.1	-8.1	0	0	109.8	A263 T282	Q261-A263 VanDerWaalsContact C-N 3.34Å; Q261-T282 PolarHBondContact O-OG1 2.86Å
262	G	97	Very high	98	Very high	32 Å²	32	55.6 Å²	55.6	33%	0.33	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.1	14.4	-175.1	0	0	0	0	0	114	S280 V281 T282 H283	G262-S280 WeakPolarHBondContact CA-O 3.27Å; G262-V281 WeakPolarHBondContact O-CA 3.35Å; G262-T282 PolarHBondContact O-N 2.81Å; G262-H283 PolarHBondContact O-N 2.88Å
263	A	98.6	Very high	98	Very high	21 Å²	21	57.7 Å²	57.7	17%	0.174	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	141.3	172.6	0	0	0	0	0	112.2	W256 L257 H260 Q261 H283	W256-A263 HydrophobicContact CE3-CB 4.38Å; W256-A263 HydrophobicContact CH2-CB 4.24Å; W256-A263 HydrophobicContact CZ3-CB 3.87Å; L257-A263 HydrophobicContact CD2-CB 3.74Å; H260-A263 HydrophobicContact CB-CB 4.08Å; H260-A263 VanDerWaalsContact O-CB 3.31Å; H260-A263 WeakPolarHBondContact O-CB 3.42Å; H260-A263 PolarHBondContact O-N 3.03Å; Q261-A263 VanDerWaalsContact C-N 3.34Å; A263-H283 CarbonylContact C-O 3.6Å; A263-H283 WeakPolarHBondContact CA-O 3.37Å; A263-H283 HydrophobicContact CB-CB 4.24Å
264	R	98.9	Very high	98	Very high	109 Å²	109	63.4 Å²	63.4	41%	0.411	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	134.7	172.3	-175.5	64	64.1	106	11.5	110.2	V266 A275 D278 V281 H283 L284 M285	R264-V266 HydrophobicContact CG-CG1 3.86Å; R264-A275 HydrophobicContact CG-CB 4.1Å; R264-D278 IonicContact NH2-OD2 3.25Å; R264-V281 HydrophobicContact CB-CG1 3.88Å; R264-V281 HydrophobicContact CB-CG2 4.06Å; R264-H283 PolarHBondContact N-O 2.91Å; R264-L284 HydrophobicContact CB-CD1 4.11Å; R264-L284 HydrophobicContact CG-CD1 4.25Å; R264-L284 WeakPolarHBondContact O-CA 3.17Å; R264-M285 PolarHBondContact O-N 2.91Å
265	Y	98.9	Very high	98	Very high	43 Å²	43	58.2 Å²	58.2	17%	0.169	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	136.7	166.2	173.8	-107.6	0	0	0	109	R223 V253 W267 M285 L287	R223-Y265 WeakPolarHBondContact CD-OH 3.49Å; V253-Y265 HydrophobicContact CB-CD2 4.49Å; V253-Y265 HydrophobicContact CG1-CD1 3.87Å; V253-Y265 HydrophobicContact CG1-CD2 3.57Å; V253-Y265 HydrophobicContact CG1-CE1 4.35Å; V253-Y265 HydrophobicContact CG1-CE2 4.08Å; V253-Y265 HydrophobicContact CG1-CG 3.44Å; V253-Y265 VanDerWaalsContact CG1-CG 3.44Å; V253-Y265 HydrophobicContact CG2-CD2 4.02Å; V253-Y265 HydrophobicContact CG2-CE2 3.83Å; Y265-W267 HydrophobicContact CE1-CB 4.31Å; Y265-M285 CarbonylContact C-O 3.58Å; Y265-M285 VanDerWaalsContact CA-O 3.26Å; Y265-M285 WeakPolarHBondContact CA-O 3.35Å; Y265-M285 HydrophobicContact CD2-CB 4.31Å; Y265-M285 HydrophobicContact CD2-CG 4.12Å; Y265-M285 WeakPolarHBondContact CD2-O 3.49Å; Y265-M285 HydrophobicContact CD2-SD 4.3Å; Y265-L287 HydrophobicContact CE2-CB 3.99Å; Y265-L287 HydrophobicContact CE2-CD1 3.98Å; Y265-L287 HydrophobicContact CE2-CG 3.94Å
266	V	98.9	Very high	97.9	Very high	3 Å²	3	54.9 Å²	54.9	2%	0.018	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	152.8	174.7	-56.5	0	0	0	0	108.9	R264 E271 L272 A275 L284 M285 G286 L287 F288	R264-V266 HydrophobicContact CG-CG1 3.86Å; V266-E271 HydrophobicContact CB-CB 3.69Å; V266-E271 HydrophobicContact CG1-CB 3.66Å; V266-L272 HydrophobicContact CG2-CB 4.19Å; V266-L272 HydrophobicContact CG2-CD1 4.42Å; V266-A275 HydrophobicContact CG1-CB 4.1Å; V266-L284 HydrophobicContact CG1-CD1 4.09Å; V266-L284 HydrophobicContact CG2-CD1 4.05Å; V266-M285 PolarHBondContact N-O 3.13Å; V266-G286 VanDerWaalsContact O-CA 3.29Å; V266-G286 WeakPolarHBondContact O-CA 3.44Å; V266-L287 PolarHBondContact O-N 3.35Å; V266-F288 HydrophobicContact CG2-CE1 4.16Å; V266-F288 HydrophobicContact CG2-CZ 4.34Å
267	W	98.8	Very high	97.9	Very high	63 Å²	63	60 Å²	60	24%	0.239	30%	0.297	C	S	.	.			trans	-129.1	-2.5	177.5	60.4	-88	0	0	0	113.6	R223 P234 E235 Y265 E271 L287	R223-W267 PolarHBondContact NH1-O 3.01Å; P234-W267 HydrophobicContact CB-CD2 3.91Å; P234-W267 HydrophobicContact CB-CE3 4.28Å; P234-W267 HydrophobicContact CB-CG 4.25Å; P234-W267 HydrophobicContact CB-CZ2 4.39Å; P234-W267 HydrophobicContact CG-CB 4.23Å; P234-W267 HydrophobicContact CG-CD2 3.88Å; P234-W267 HydrophobicContact CG-CE3 4.2Å; P234-W267 HydrophobicContact CG-CG 3.86Å; E235-W267 HydrophobicContact CB-CE3 4.41Å; E235-W267 HydrophobicContact CB-CZ3 4.19Å; Y265-W267 HydrophobicContact CE1-CB 4.31Å; W267-E271 PolarHBondContact N-OE2 3.47Å; W267-L287 VanDerWaalsContact CA-O 3.32Å; W267-L287 WeakPolarHBondContact CA-O 3.35Å; W267-L287 WeakPolarHBondContact CB-O 3.33Å
268	N	98.9	Very high	97.9	Very high	18 Å²	18	60.6 Å²	60.6	10%	0.096	30%	0.301	C	S	.	.	S	Bend	trans	-135.3	167.4	175.7	66.2	62.4	0	0	0	112.3	T270 E271 L272 L303	N268-T270 PolarHBondContact O-N 2.77Å; N268-T270 PolarHBondContact OD1-N 2.9Å; N268-T270 VanDerWaalsContact OD1-N 3.16Å; N268-E271 PolarHBondContact O-N 2.9Å; N268-E271 WeakPolarHBondContact OD1-CG 3.33Å; N268-E271 PolarHBondContact OD1-N 2.77Å; N268-L272 PolarHBondContact O-N 3.22Å; N268-L303 CarbonylContact C-O 3.56Å; N268-L303 VanDerWaalsContact CA-O 3.27Å; N268-L303 WeakPolarHBondContact CA-O 3.18Å; N268-L303 WeakPolarHBondContact CB-O 3.32Å
269	R	98.8	Very high	97.9	Very high	66 Å²	66	62.2 Å²	62.2	25%	0.249	30%	0.301	C	S	.	.	H	α-helix	trans	-60.5	-42.8	-176.8	-176.2	178.1	173.7	-81	-4	113	L272 M273 P301 L303 P305 E309	R269-L272 WeakPolarHBondContact O-CB 3.49Å; R269-L272 PolarHBondContact O-N 3.14Å; R269-M273 WeakPolarHBondContact O-CG 3.31Å; R269-M273 PolarHBondContact O-N 2.84Å; R269-P301 WeakPolarHBondContact CD-O 3.3Å; R269-L303 WeakPolarHBondContact CB-O 3.27Å; R269-L303 PolarHBondContact N-O 3.3Å; R269-P305 HydrophobicContact CB-CB 4.34Å; R269-P305 HydrophobicContact CG-CB 4.09Å; R269-E309 WeakPolarHBondContact CD-OE2 3.45Å; R269-E309 IonicContact CZ-OE1 3.58Å; R269-E309 VanDerWaalsContact CZ-OE1 3.24Å; R269-E309 IonicContact CZ-OE2 3.02Å; R269-E309 VanDerWaalsContact NE-CD 3.27Å; R269-E309 IonicContact NE-OE1 3.45Å; R269-E309 PolarHBondContact NE-OE1 3.23Å; R269-E309 IonicContact NE-OE2 2.65Å; R269-E309 PolarHBondContact NE-OE2 3.04Å; R269-E309 IonicContact NH2-OE1 2.95Å; R269-E309 PolarHBondContact NH2-OE1 2.98Å; R269-E309 IonicContact NH2-OE2 2.86Å
270	T	98.7	Very high	98	Very high	73 Å²	73	60.5 Å²	60.5	45%	0.448	30%	0.303	S	S	.	.	H	α-helix	trans	-66	-44.6	-176.1	-61.4	0	0	0	0	110.7	N268 M273 Q274	N268-T270 PolarHBondContact O-N 2.77Å; N268-T270 PolarHBondContact OD1-N 2.9Å; N268-T270 VanDerWaalsContact OD1-N 3.16Å; T270-M273 PolarHBondContact O-N 2.76Å; T270-Q274 WeakPolarHBondContact O-CG 3.36Å; T270-Q274 PolarHBondContact O-N 3.1Å; T270-Q274 VanDerWaalsContact O-N 3.08Å
271	E	98.8	Very high	98.2	Very high	65 Å²	65	59 Å²	59	30%	0.304	30%	0.296	S	S	.	.	H	α-helix	trans	-63.5	-40.2	174.6	-69.8	-179.3	165.2	0	0	111.9	V266 W267 N268 M273 Q274 A275	V266-E271 HydrophobicContact CB-CB 3.69Å; V266-E271 HydrophobicContact CG1-CB 3.66Å; W267-E271 PolarHBondContact N-OE2 3.47Å; N268-E271 PolarHBondContact O-N 2.9Å; N268-E271 WeakPolarHBondContact OD1-CG 3.33Å; N268-E271 PolarHBondContact OD1-N 2.77Å; E271-M273 PolarHBondContact O-N 3.46Å; E271-Q274 PolarHBondContact O-N 2.98Å; E271-A275 WeakPolarHBondContact O-CB 3.22Å; E271-A275 PolarHBondContact O-N 2.65Å
272	L	98.9	Very high	98.4	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-57.4	-49.1	173.5	175.2	64.8	0	0	0	111.5	L219 V266 N268 R269 Q274 A275 S276 L284 F288 P305 M310 A313	L219-L272 HydrophobicContact CD1-CD1 4.21Å; L219-L272 HydrophobicContact CD2-CD1 3.7Å; V266-L272 HydrophobicContact CG2-CB 4.19Å; V266-L272 HydrophobicContact CG2-CD1 4.42Å; N268-L272 PolarHBondContact O-N 3.22Å; R269-L272 WeakPolarHBondContact O-CB 3.49Å; R269-L272 PolarHBondContact O-N 3.14Å; L272-Q274 VanDerWaalsContact C-N 3.31Å; L272-Q274 PolarHBondContact O-N 3Å; L272-A275 PolarHBondContact O-N 2.9Å; L272-S276 WeakPolarHBondContact O-CB 3.29Å; L272-S276 PolarHBondContact O-N 3.03Å; L272-L284 HydrophobicContact CD1-CD2 3.78Å; L272-F288 HydrophobicContact CB-CE1 4.11Å; L272-F288 HydrophobicContact CB-CZ 4.17Å; L272-F288 HydrophobicContact CD1-CZ 4.19Å; L272-F288 HydrophobicContact CD2-CE1 4.31Å; L272-F288 HydrophobicContact CD2-CE2 4.46Å; L272-F288 HydrophobicContact CD2-CZ 3.75Å; L272-F288 HydrophobicContact CG-CZ 4.23Å; L272-P305 HydrophobicContact CD2-CB 3.61Å; L272-P305 HydrophobicContact CD2-CG 3.71Å; L272-M310 HydrophobicContact CD2-CG 4.17Å; L272-A313 HydrophobicContact CD1-CB 3.73Å; L272-A313 HydrophobicContact CD2-CB 4.15Å; L272-A313 HydrophobicContact CG-CB 3.97Å
273	M	98.4	Very high	98.5	Very high	43 Å²	43	52.4 Å²	52.4	21%	0.212	26%	0.261	C	S	.	.	H	α-helix	trans	-60.3	-43.9	-179.5	-70	-57.4	110.4	0	0	111.2	R269 T270 E271 S276 E309	R269-M273 WeakPolarHBondContact O-CG 3.31Å; R269-M273 PolarHBondContact O-N 2.84Å; T270-M273 PolarHBondContact O-N 2.76Å; E271-M273 PolarHBondContact O-N 3.46Å; M273-S276 PolarHBondContact O-OG 3.47Å; M273-E309 HydrophobicContact CE-CB 4.03Å
274	Q	98.6	Very high	98.5	Very high	126 Å²	126	51.4 Å²	51.4	59%	0.589	25%	0.253	S	S	*	.	H	α-helix	trans	-62.3	-49.4	176.1	-69.6	172.8	2	0	0	111.8	T270 E271 L272 S276 L277 D278	T270-Q274 WeakPolarHBondContact O-CG 3.36Å; T270-Q274 PolarHBondContact O-N 3.1Å; T270-Q274 VanDerWaalsContact O-N 3.08Å; E271-Q274 PolarHBondContact O-N 2.98Å; L272-Q274 VanDerWaalsContact C-N 3.31Å; L272-Q274 PolarHBondContact O-N 3Å; Q274-S276 VanDerWaalsContact C-N 3.31Å; Q274-S276 PolarHBondContact O-N 3.37Å; Q274-L277 PolarHBondContact O-N 3.49Å; Q274-D278 PolarHBondContact O-N 3.32Å
275	A	98.6	Very high	98.5	Very high	2 Å²	2	46.2 Å²	46.2	2%	0.017	23%	0.233	C	C	.	.	H	α-helix	trans	-62.7	-36.9	-178.9	0	0	0	0	0	112.5	R264 V266 E271 L272 L277 D278 V281 L284	R264-A275 HydrophobicContact CG-CB 4.1Å; V266-A275 HydrophobicContact CG1-CB 4.1Å; E271-A275 WeakPolarHBondContact O-CB 3.22Å; E271-A275 PolarHBondContact O-N 2.65Å; L272-A275 PolarHBondContact O-N 2.9Å; A275-L277 PolarHBondContact O-N 3.05Å; A275-D278 PolarHBondContact O-N 2.93Å; A275-V281 HydrophobicContact CB-CG2 4.49Å; A275-L284 HydrophobicContact CB-CD1 3.72Å; A275-L284 HydrophobicContact CB-CD2 4.28Å
276	S	97.8	Very high	98.5	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.007	23%	0.225	C	C	.	.	H	α-helix	trans	-64.5	-24.4	179.3	77.8	0	0	0	0	114	L272 M273 Q274 R316 R320	L272-S276 WeakPolarHBondContact O-CB 3.29Å; L272-S276 PolarHBondContact O-N 3.03Å; M273-S276 PolarHBondContact O-OG 3.47Å; Q274-S276 VanDerWaalsContact C-N 3.31Å; Q274-S276 PolarHBondContact O-N 3.37Å; S276-R316 PolarHBondContact OG-NH1 3.39Å; S276-R320 PolarHBondContact O-NH2 3.38Å
277	L	97.8	Very high	98.5	Very high	111 Å²	111	44 Å²	44	58%	0.581	22%	0.224	S	C	*	.	H	α-helix	trans	-96.4	-20	-179.7	-64	174.7	0	0	0	112.6	Q274 A275 Q279	Q274-L277 PolarHBondContact O-N 3.49Å; A275-L277 PolarHBondContact O-N 3.05Å; L277-Q279 PolarHBondContact O-N 3.16Å
278	D	98.3	Very high	98.5	Very high	55 Å²	55	41 Å²	41	29%	0.294	21%	0.213	S	C	.	.			trans	-71.7	120.5	178.4	-171.4	-16	0	0	0	110.5	R264 Q274 A275 S280 V281 R320	R264-D278 IonicContact NH2-OD2 3.25Å; Q274-D278 PolarHBondContact O-N 3.32Å; A275-D278 PolarHBondContact O-N 2.93Å; D278-S280 VanDerWaalsContact C-N 3.27Å; D278-S280 PolarHBondContact O-N 3.43Å; D278-S280 WeakPolarHBondContact OD1-CB 3.19Å; D278-S280 PolarHBondContact OD1-N 3.41Å; D278-S280 PolarHBondContact OD1-OG 3.17Å; D278-S280 PolarHBondContact OD2-OG 3.26Å; D278-V281 HydrophobicContact CB-CB 4.43Å; D278-V281 HydrophobicContact CB-CG2 3.77Å; D278-V281 PolarHBondContact O-N 3.14Å; D278-R320 PolarHBondContact O-NH1 3.29Å; D278-R320 PolarHBondContact O-NH2 3.29Å
279	Q	97.1	Very high	98.5	Very high	141 Å²	141	40.8 Å²	40.8	66%	0.659	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-18.7	-179.8	-62.7	-58.8	-46.4	0	0	112.7	L277 V281	L277-Q279 PolarHBondContact O-N 3.16Å; Q279-V281 VanDerWaalsContact C-N 3.29Å
280	S	98.1	Very high	98.5	Very high	74 Å²	74	37.7 Å²	37.7	52%	0.517	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-17.2	175.3	73	0	0	0	0	112.9	G262 D278 T282	G262-S280 WeakPolarHBondContact CA-O 3.27Å; D278-S280 VanDerWaalsContact C-N 3.27Å; D278-S280 PolarHBondContact O-N 3.43Å; D278-S280 WeakPolarHBondContact OD1-CB 3.19Å; D278-S280 PolarHBondContact OD1-N 3.41Å; D278-S280 PolarHBondContact OD1-OG 3.17Å; D278-S280 PolarHBondContact OD2-OG 3.26Å; S280-T282 PolarHBondContact O-N 2.94Å
281	V	98.8	Very high	98.5	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.018	19%	0.185	C	C	.	.			trans	-80.6	113.4	176.9	-179.2	0	0	0	0	109.2	G262 R264 A275 D278 Q279 L284 L317 R320	G262-V281 WeakPolarHBondContact O-CA 3.35Å; R264-V281 HydrophobicContact CB-CG1 3.88Å; R264-V281 HydrophobicContact CB-CG2 4.06Å; A275-V281 HydrophobicContact CB-CG2 4.49Å; D278-V281 HydrophobicContact CB-CB 4.43Å; D278-V281 HydrophobicContact CB-CG2 3.77Å; D278-V281 PolarHBondContact O-N 3.14Å; Q279-V281 VanDerWaalsContact C-N 3.29Å; V281-L284 HydrophobicContact CG1-CB 4.21Å; V281-L317 HydrophobicContact CG1-CD1 3.87Å; V281-R320 PolarHBondContact O-NH1 3.34Å
282	T	98.3	Very high	98.5	Very high	62 Å²	62	33.3 Å²	33.3	38%	0.38	18%	0.179	S	C	.	.			trans	-109.5	-22.3	178.9	62.1	0	0	0	0	112.2	Q261 G262 S280 L317	Q261-T282 PolarHBondContact O-OG1 2.86Å; G262-T282 PolarHBondContact O-N 2.81Å; S280-T282 PolarHBondContact O-N 2.94Å; T282-L317 WeakPolarHBondContact O-CD2 3.45Å
283	H	98.9	Very high	98.6	Very high	22 Å²	22	33.6 Å²	33.6	10%	0.102	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	133	174.6	-64.7	68.3	0	0	0	108.6	D214 D216 W256 H260 G262 A263 R264	D214-H283 IonicContact OD1-CD2 3.49Å; D214-H283 PolarHBondContact OD1-CD2 2.83Å; D214-H283 IonicContact OD1-NE2 3.39Å; D214-H283 PolarHBondContact OD1-NE2 2.94Å; D214-H283 VanDerWaalsContact OD1-NE2 3.09Å; D214-H283 IonicContact OD2-NE2 2.91Å; D216-H283 CarbonylContact O-C 3.51Å; D216-H283 VanDerWaalsContact O-CA 3.23Å; D216-H283 WeakPolarHBondContact O-CA 3.47Å; W256-H283 HydrophobicContact CH2-CB 3.62Å; W256-H283 HydrophobicContact CZ2-CB 3.68Å; H260-H283 HydrophobicContact CB-CB 4.32Å; H260-H283 AromaticContact CD2-CD2 3.68Å; H260-H283 AromaticContact CD2-NE2 3.63Å; H260-H283 AromaticContact CG-CD2 3.89Å; G262-H283 PolarHBondContact O-N 2.88Å; A263-H283 CarbonylContact C-O 3.6Å; A263-H283 WeakPolarHBondContact CA-O 3.37Å; A263-H283 HydrophobicContact CB-CB 4.24Å; R264-H283 PolarHBondContact N-O 2.91Å
284	L	98.9	Very high	98.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	118.8	-176.5	-179	58.1	0	0	0	111.5	D216 V217 I218 L219 R264 V266 L272 A275 V281 L317	D216-L284 PolarHBondContact O-N 3.28Å; V217-L284 CarbonylContact C-O 3.59Å; V217-L284 WeakPolarHBondContact CA-O 3.04Å; I218-L284 PolarHBondContact N-O 3.02Å; L219-L284 HydrophobicContact CD2-CD2 4.42Å; L219-L284 HydrophobicContact CD2-CG 4.29Å; R264-L284 HydrophobicContact CB-CD1 4.11Å; R264-L284 HydrophobicContact CG-CD1 4.25Å; R264-L284 WeakPolarHBondContact O-CA 3.17Å; V266-L284 HydrophobicContact CG1-CD1 4.09Å; V266-L284 HydrophobicContact CG2-CD1 4.05Å; L272-L284 HydrophobicContact CD1-CD2 3.78Å; A275-L284 HydrophobicContact CB-CD1 3.72Å; A275-L284 HydrophobicContact CB-CD2 4.28Å; V281-L284 HydrophobicContact CG1-CB 4.21Å; L284-L317 HydrophobicContact CB-CD1 3.91Å
285	M	98.9	Very high	98.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	112.3	169.6	-177.1	-178.7	-72	0	0	109.3	I210 I218 M226 V253 W256 R264 Y265 V266 L287	I210-M285 HydrophobicContact CG2-CE 4.04Å; I218-M285 HydrophobicContact CB-CG 4.27Å; I218-M285 HydrophobicContact CD1-CE 3.56Å; I218-M285 HydrophobicContact CG2-CG 4.34Å; I218-M285 CarbonylContact O-C 3.54Å; I218-M285 WeakPolarHBondContact O-CA 3.27Å; M226-M285 HydrophobicContact CE-CE 4.29Å; M226-M285 HydrophobicContact CE-SD 4.28Å; V253-M285 HydrophobicContact CG2-SD 3.9Å; W256-M285 HydrophobicContact CB-CE 4.16Å; W256-M285 HydrophobicContact CD2-CB 4.48Å; W256-M285 HydrophobicContact CD2-CE 3.65Å; W256-M285 HydrophobicContact CE3-CB 3.98Å; W256-M285 HydrophobicContact CE3-CE 4.09Å; W256-M285 HydrophobicContact CE3-SD 4.49Å; W256-M285 HydrophobicContact CG-CE 3.67Å; W256-M285 HydrophobicContact CH2-CB 3.72Å; W256-M285 HydrophobicContact CZ2-CB 4.24Å; W256-M285 HydrophobicContact CZ3-CB 3.57Å; R264-M285 PolarHBondContact O-N 2.91Å; Y265-M285 CarbonylContact C-O 3.58Å; Y265-M285 VanDerWaalsContact CA-O 3.26Å; Y265-M285 WeakPolarHBondContact CA-O 3.35Å; Y265-M285 HydrophobicContact CD2-CB 4.31Å; Y265-M285 HydrophobicContact CD2-CG 4.12Å; Y265-M285 WeakPolarHBondContact CD2-O 3.49Å; Y265-M285 HydrophobicContact CD2-SD 4.3Å; V266-M285 PolarHBondContact N-O 3.13Å; M285-L287 HydrophobicContact CG-CD1 4.35Å; M285-L287 HydrophobicContact CG-CD2 4.26Å; M285-L287 HydrophobicContact CG-CG 3.99Å; M285-L287 HydrophobicContact SD-CD1 4.08Å; M285-L287 HydrophobicContact SD-CG 4.38Å
286	G	98.9	Very high	98.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	111.5	175.3	0	0	0	0	0	110.8	I218 L219 G220 V266 F288	I218-G286 PolarHBondContact O-N 2.87Å; L219-G286 WeakPolarHBondContact CA-O 3.47Å; G220-G286 PolarHBondContact N-O 2.92Å; V266-G286 VanDerWaalsContact O-CA 3.29Å; V266-G286 WeakPolarHBondContact O-CA 3.44Å; G286-F288 WeakPolarHBondContact O-CE2 3.18Å
287	L	98.9	Very high	98.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	103	178.7	-57.6	-178.1	0	0	0	109.8	V170 G220 R223 M226 V253 Y265 V266 W267 M285	V170-L287 HydrophobicContact CG1-CD2 4.05Å; V170-L287 HydrophobicContact CG2-CD2 3.69Å; G220-L287 CarbonylContact O-C 3.5Å; G220-L287 VanDerWaalsContact O-CA 3.25Å; G220-L287 WeakPolarHBondContact O-CA 3.37Å; R223-L287 HydrophobicContact CB-CB 4.49Å; R223-L287 WeakPolarHBondContact CD-O 3.31Å; R223-L287 HydrophobicContact CG-CB 3.4Å; R223-L287 HydrophobicContact CG-CD1 4.4Å; R223-L287 VanDerWaalsContact CG-O 3.3Å; R223-L287 WeakPolarHBondContact CG-O 3.48Å; R223-L287 PolarHBondContact NH1-O 2.96Å; M226-L287 HydrophobicContact CG-CD1 3.68Å; V253-L287 HydrophobicContact CG2-CD1 4.3Å; Y265-L287 HydrophobicContact CE2-CB 3.99Å; Y265-L287 HydrophobicContact CE2-CD1 3.98Å; Y265-L287 HydrophobicContact CE2-CG 3.94Å; V266-L287 PolarHBondContact O-N 3.35Å; W267-L287 VanDerWaalsContact CA-O 3.32Å; W267-L287 WeakPolarHBondContact CA-O 3.35Å; W267-L287 WeakPolarHBondContact CB-O 3.33Å; M285-L287 HydrophobicContact CG-CD1 4.35Å; M285-L287 HydrophobicContact CG-CD2 4.26Å; M285-L287 HydrophobicContact CG-CG 3.99Å; M285-L287 HydrophobicContact SD-CD1 4.08Å; M285-L287 HydrophobicContact SD-CG 4.38Å
288	F	98.9	Very high	98.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.174	C	C	.	.			trans	-95.1	-13.6	-163.1	-54	-66	0	0	0	114.8	L219 G220 R223 V266 L272 G286 M293 P305 M310	L219-F288 HydrophobicContact CB-CE2 4.17Å; L219-F288 HydrophobicContact CD2-CE2 4.15Å; L219-F288 HydrophobicContact CD2-CZ 4.04Å; G220-F288 VanDerWaalsContact O-CD2 3.3Å; G220-F288 WeakPolarHBondContact O-CD2 3.3Å; G220-F288 PolarHBondContact O-N 2.83Å; R223-F288 VanDerWaalsContact NH1-CA 3.32Å; R223-F288 PolarHBondContact NH1-O 2.83Å; V266-F288 HydrophobicContact CG2-CE1 4.16Å; V266-F288 HydrophobicContact CG2-CZ 4.34Å; L272-F288 HydrophobicContact CB-CE1 4.11Å; L272-F288 HydrophobicContact CB-CZ 4.17Å; L272-F288 HydrophobicContact CD1-CZ 4.19Å; L272-F288 HydrophobicContact CD2-CE1 4.31Å; L272-F288 HydrophobicContact CD2-CE2 4.46Å; L272-F288 HydrophobicContact CD2-CZ 3.75Å; L272-F288 HydrophobicContact CG-CZ 4.23Å; G286-F288 WeakPolarHBondContact O-CE2 3.18Å; F288-M293 HydrophobicContact CB-CE 3.78Å; F288-M293 HydrophobicContact CB-CG 4.45Å; F288-M293 HydrophobicContact CB-SD 4.27Å; F288-M293 HydrophobicContact CD2-CE 3.95Å; F288-M293 HydrophobicContact CD2-SD 3.99Å; F288-M293 HydrophobicContact CG-CE 4.14Å; F288-P305 HydrophobicContact CD1-CG 3.74Å; F288-P305 HydrophobicContact CD2-CG 3.71Å; F288-P305 HydrophobicContact CE1-CG 3.72Å; F288-P305 HydrophobicContact CE2-CG 3.69Å; F288-P305 HydrophobicContact CG-CG 3.75Å; F288-P305 HydrophobicContact CZ-CG 3.7Å; F288-M310 HydrophobicContact CD2-SD 3.65Å; F288-M310 HydrophobicContact CE2-CG 4.02Å; F288-M310 HydrophobicContact CE2-SD 3.5Å; F288-M310 WeakPolarHBondContact CE2-SD 3.43Å
289	E	98.9	Very high	98.7	Very high	13 Å²	13	32.3 Å²	32.3	6%	0.061	17%	0.169	C	C	.	.	S	Bend	trans	-142.1	159.6	172.6	-80.2	-67.6	158.9	0	0	111.3	G222 R223 Y236 G291 D292 K294	G222-E289 PolarHBondContact N-O 3.39Å; R223-E289 PolarHBondContact N-O 2.95Å; Y236-E289 WeakPolarHBondContact CE2-OE2 3.47Å; Y236-E289 VanDerWaalsContact OH-CD 3.31Å; Y236-E289 PolarHBondContact OH-OE1 3.01Å; Y236-E289 PolarHBondContact OH-OE2 2.86Å; Y236-E289 VanDerWaalsContact OH-OE2 3.09Å; E289-G291 VanDerWaalsContact C-N 3.32Å; E289-G291 PolarHBondContact O-N 2.99Å; E289-D292 WeakPolarHBondContact CB-O 3.34Å; E289-K294 WeakPolarHBondContact OE1-CE 3.38Å; E289-K294 IonicContact OE1-NZ 3.74Å; E289-K294 PolarHBondContact OE1-NZ 3.02Å
290	P	98.9	Very high	98.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.152	C	C	.	.	S	Bend	trans	-60	-43.5	174.7	-18.5	30.5	0	0	0	111.8	G222 R223 K224 D233 Y236 Q242	G222-P290 CarbonylContact C-O 3.49Å; G222-P290 WeakPolarHBondContact CA-O 3.35Å; R223-P290 PolarHBondContact N-O 3.3Å; K224-P290 HydrophobicContact CB-CB 4.36Å; K224-P290 VanDerWaalsContact CG-O 3.29Å; K224-P290 WeakPolarHBondContact CG-O 3.38Å; K224-P290 PolarHBondContact N-O 2.66Å; K224-P290 VanDerWaalsContact N-O 3.14Å; D233-P290 HydrophobicContact CB-CG 4.48Å; Y236-P290 HydrophobicContact CD2-CG 3.67Å; Y236-P290 HydrophobicContact CE2-CG 3.94Å; Q242-P290 HydrophobicContact CB-CB 3.97Å; Q242-P290 HydrophobicContact CB-CG 3.68Å; Q242-P290 HydrophobicContact CG-CG 3.99Å; Q242-P290 VanDerWaalsContact OE1-CB 3.3Å
291	G	98.8	Very high	98.7	Very high	13 Å²	13	28.5 Å²	28.5	13%	0.134	15%	0.152	C	C	.	.	S	Bend	trans	-110.7	-130.8	176.4	0	0	0	0	0	111.2	R169 G221 G222 E289	R169-G291 VanDerWaalsContact CG-O 3.22Å; R169-G291 WeakPolarHBondContact CG-O 3.48Å; G221-G291 CarbonylContact C-O 3.46Å; G221-G291 WeakPolarHBondContact CA-O 3.47Å; G222-G291 PolarHBondContact N-O 2.83Å; E289-G291 VanDerWaalsContact C-N 3.32Å; E289-G291 PolarHBondContact O-N 2.99Å
292	D	98.9	Very high	98.7	Very high	34 Å²	34	32.5 Å²	32.5	18%	0.182	18%	0.176	C	C	.	.	S	Bend	trans	-71.3	153.3	174.1	-57.9	-51.2	0	0	0	109.9	T168 R169 E289 H336	T168-D292 WeakPolarHBondContact CA-OD1 3.16Å; T168-D292 WeakPolarHBondContact CB-OD1 3.38Å; R169-D292 VanDerWaalsContact CG-OD1 3.31Å; R169-D292 WeakPolarHBondContact CG-OD1 3.45Å; R169-D292 IonicContact CZ-OD1 3.7Å; R169-D292 IonicContact CZ-OD2 2.69Å; R169-D292 PolarHBondContact N-OD1 2.92Å; R169-D292 VanDerWaalsContact NE-CG 3.31Å; R169-D292 IonicContact NE-OD1 2.71Å; R169-D292 PolarHBondContact NE-OD1 2.92Å; R169-D292 IonicContact NE-OD2 2.63Å; R169-D292 PolarHBondContact NE-OD2 3.2Å; R169-D292 IonicContact NH2-OD1 3.82Å; R169-D292 IonicContact NH2-OD2 2.97Å; R169-D292 PolarHBondContact NH2-OD2 3.02Å; E289-D292 WeakPolarHBondContact CB-O 3.34Å; D292-H336 IonicContact OD2-CE1 3.96Å; D292-H336 PolarHBondContact OD2-CE1 2.8Å
293	M	98.9	Very high	98.7	Very high	5 Å²	5	32.3 Å²	32.3	3%	0.025	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-63.8	157	174	-61.5	-175.9	63.2	0	0	110.4	T167 F288 P305 M310 R333	T167-M293 WeakPolarHBondContact O-CB 3.28Å; T167-M293 PolarHBondContact O-N 2.83Å; F288-M293 HydrophobicContact CB-CE 3.78Å; F288-M293 HydrophobicContact CB-CG 4.45Å; F288-M293 HydrophobicContact CB-SD 4.27Å; F288-M293 HydrophobicContact CD2-CE 3.95Å; F288-M293 HydrophobicContact CD2-SD 3.99Å; F288-M293 HydrophobicContact CG-CE 4.14Å; M293-P305 HydrophobicContact CE-CG 4.27Å; M293-P305 VanDerWaalsContact CE-O 3.27Å; M293-P305 WeakPolarHBondContact CE-O 3.31Å; M293-M310 HydrophobicContact CE-CE 3.97Å; M293-M310 HydrophobicContact CE-SD 4.04Å; M293-M310 HydrophobicContact SD-CE 3.47Å; M293-M310 WeakPolarHBondContact SD-CE 3.5Å; M293-M310 HydrophobicContact SD-SD 3.67Å; M293-M310 VanDerWaalsContact SD-SD 3.67Å; M293-R333 WeakPolarHBondContact O-CD 3.31Å; M293-R333 PolarHBondContact O-NH1 3.41Å
294	K	98.9	Very high	98.7	Very high	54 Å²	54	31.3 Å²	31.3	24%	0.235	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-59.1	150.5	172	-60.6	-179.4	-170.4	108.6	0	110.3	E235 Y236 E289 N298 D304	E235-K294 IonicContact OE1-NZ 3.46Å; E235-K294 PolarHBondContact OE1-NZ 3.34Å; Y236-K294 WeakPolarHBondContact OH-CE 3.44Å; Y236-K294 PolarHBondContact OH-NZ 3.3Å; E289-K294 WeakPolarHBondContact OE1-CE 3.38Å; E289-K294 IonicContact OE1-NZ 3.74Å; E289-K294 PolarHBondContact OE1-NZ 3.02Å; K294-N298 HydrophobicContact CB-CB 4.46Å; K294-N298 WeakPolarHBondContact CD-O 3.46Å; K294-D304 IonicContact NZ-OD2 2.77Å; K294-D304 PolarHBondContact NZ-OD2 3.45Å
295	Y	98.9	Very high	98.7	Very high	11 Å²	11	31.3 Å²	31.3	4%	0.043	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-56.3	148	165.1	-70.8	-70.2	0	0	0	109.3	I297 N298 R299 R333 H336 G337 E340 H345 E349	Y295-I297 PolarHBondContact O-N 2.91Å; Y295-I297 VanDerWaalsContact O-N 3.14Å; Y295-N298 CarbonylContact O-C 3.55Å; Y295-N298 WeakPolarHBondContact O-CA 3.22Å; Y295-N298 PolarHBondContact O-N 3.23Å; Y295-R299 PolarHBondContact O-N 2.95Å; Y295-R333 HydrophobicContact CD1-CB 3.97Å; Y295-R333 HydrophobicContact CE1-CB 3.84Å; Y295-R333 WeakPolarHBondContact CE1-O 3.35Å; Y295-R333 PolarHBondContact OH-NH2 3.36Å; Y295-H336 HydrophobicContact CE1-CB 4.31Å; Y295-H336 WeakPolarHBondContact OH-CB 3.42Å; Y295-H336 PolarHBondContact OH-O 3.24Å; Y295-G337 PolarHBondContact OH-N 3.31Å; Y295-E340 PolarHBondContact OH-OE1 3.32Å; Y295-H345 HydrophobicContact CD1-CB 4.09Å; Y295-H345 AromaticContact CD1-ND1 3.96Å; Y295-H345 AromaticContact CD2-CE1 3.82Å; Y295-H345 AromaticContact CD2-ND1 3.09Å; Y295-H345 WeakPolarHBondContact CD2-ND1 3.36Å; Y295-H345 HydrophobicContact CE1-CB 3.98Å; Y295-H345 AromaticContact CE2-ND1 3.33Å; Y295-H345 VanDerWaalsContact CE2-ND1 3.33Å; Y295-H345 WeakPolarHBondContact CE2-ND1 3.38Å; Y295-H345 HydrophobicContact CG-CB 4.44Å; Y295-H345 AromaticContact CG-ND1 3.45Å; Y295-H345 AromaticContact CZ-ND1 3.89Å; Y295-E349 HydrophobicContact CD1-CG 3.78Å; Y295-E349 HydrophobicContact CE1-CG 4.34Å
296	E	98.7	Very high	98.7	Very high	47 Å²	47	31.6 Å²	31.6	22%	0.22	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-53.8	-39.3	-177.7	176.2	56.5	-154.6	0	0	111.8	N298 R299 E349 M352	E296-N298 PolarHBondContact O-N 3.3Å; E296-R299 VanDerWaalsContact CD-NE 3.33Å; E296-R299 WeakPolarHBondContact O-CB 3.22Å; E296-R299 PolarHBondContact O-N 3.02Å; E296-R299 IonicContact OE1-CZ 2.85Å; E296-R299 IonicContact OE1-NE 3.24Å; E296-R299 PolarHBondContact OE1-NE 2.91Å; E296-R299 IonicContact OE1-NH2 3.96Å; E296-R299 PolarHBondContact OE1-NH2 3.19Å; E296-R299 WeakPolarHBondContact OE2-CD 3.25Å; E296-R299 IonicContact OE2-CZ 2.77Å; E296-R299 IonicContact OE2-NE 3.83Å; E296-R299 PolarHBondContact OE2-NE 3.39Å; E296-R299 IonicContact OE2-NH2 3.22Å; E296-E349 VanDerWaalsContact CB-OE1 3.25Å; E296-E349 WeakPolarHBondContact CB-OE1 3.47Å; E296-E349 PolarHBondContact N-OE1 3.33Å; E296-M352 HydrophobicContact CB-CB 4.45Å; E296-M352 VanDerWaalsContact CD-CE 3.45Å; E296-M352 HydrophobicContact CG-CB 4.25Å; E296-M352 HydrophobicContact CG-CE 3.94Å; E296-M352 HydrophobicContact CG-CG 4.37Å
297	I	98.4	Very high	98.7	Very high	62 Å²	62	31.8 Å²	31.8	32%	0.318	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-69.8	-16.4	178.8	60.4	156.6	0	0	0	113.7	Y295 Y344 T348 P436	Y295-I297 PolarHBondContact O-N 2.91Å; Y295-I297 VanDerWaalsContact O-N 3.14Å; I297-Y344 HydrophobicContact CD1-CD1 4.01Å; I297-Y344 HydrophobicContact CD1-CE1 4.1Å; I297-Y344 HydrophobicContact CG2-CE1 4.04Å; I297-T348 HydrophobicContact CG2-CG2 3.87Å; I297-T348 WeakPolarHBondContact CG2-OG1 3.41Å; I297-P436 HydrophobicContact CD1-CB 3.97Å
298	N	98.6	Very high	98.7	Very high	89 Å²	89	33.9 Å²	33.9	48%	0.476	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-111.5	1.2	177.4	-55.5	121.1	0	0	0	112.5	K294 Y295 E296	K294-N298 HydrophobicContact CB-CB 4.46Å; K294-N298 WeakPolarHBondContact CD-O 3.46Å; Y295-N298 CarbonylContact O-C 3.55Å; Y295-N298 WeakPolarHBondContact O-CA 3.22Å; Y295-N298 PolarHBondContact O-N 3.23Å; E296-N298 PolarHBondContact O-N 3.3Å
299	R	98.4	Very high	98.7	Very high	49 Å²	49	35.5 Å²	35.5	19%	0.185	19%	0.19	C	C	.	.			trans	-64.1	137	-177.5	-172.8	174	57.9	84	5.4	110.4	Y295 E296 P301 D304	Y295-R299 PolarHBondContact O-N 2.95Å; E296-R299 VanDerWaalsContact CD-NE 3.33Å; E296-R299 WeakPolarHBondContact O-CB 3.22Å; E296-R299 PolarHBondContact O-N 3.02Å; E296-R299 IonicContact OE1-CZ 2.85Å; E296-R299 IonicContact OE1-NE 3.24Å; E296-R299 PolarHBondContact OE1-NE 2.91Å; E296-R299 IonicContact OE1-NH2 3.96Å; E296-R299 PolarHBondContact OE1-NH2 3.19Å; E296-R299 WeakPolarHBondContact OE2-CD 3.25Å; E296-R299 IonicContact OE2-CZ 2.77Å; E296-R299 IonicContact OE2-NE 3.83Å; E296-R299 PolarHBondContact OE2-NE 3.39Å; E296-R299 IonicContact OE2-NH2 3.22Å; R299-P301 VanDerWaalsContact O-CD 3.28Å; R299-P301 WeakPolarHBondContact O-CD 3.29Å; R299-D304 WeakPolarHBondContact CD-O 3.41Å; R299-D304 HydrophobicContact CG-CB 3.46Å; R299-D304 VanDerWaalsContact CG-CB 3.46Å; R299-D304 PolarHBondContact NH1-O 3.34Å
300	D	98.4	Very high	98.7	Very high	57 Å²	57	34.9 Å²	34.9	31%	0.305	19%	0.187	S	C	.	.			trans	-83	109.6	166	-175.8	-35.6	0	0	0	108.3	T302 L303 D304	D300-T302 PolarHBondContact O-N 2.75Å; D300-T302 WeakPolarHBondContact OD1-CA 3.37Å; D300-T302 WeakPolarHBondContact OD1-CB 3.26Å; D300-T302 PolarHBondContact OD1-N 3.34Å; D300-T302 PolarHBondContact OD1-OG1 3.29Å; D300-L303 HydrophobicContact CB-CB 4.2Å; D300-L303 PolarHBondContact O-N 2.95Å; D300-L303 PolarHBondContact OD1-N 2.93Å; D300-D304 PolarHBondContact N-OD2 2.97Å; D300-D304 WeakPolarHBondContact O-CB 3.29Å; D300-D304 PolarHBondContact O-N 2.91Å
301	P	97.7	Very high	98.7	Very high	77 Å²	77	34.9 Å²	34.9	50%	0.5	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-7.5	-174.5	31.2	-37	0	0	0	114.2	R269 R299	R269-P301 WeakPolarHBondContact CD-O 3.3Å; R299-P301 VanDerWaalsContact O-CD 3.28Å; R299-P301 WeakPolarHBondContact O-CD 3.29Å
302	T	97.9	Very high	98.7	Very high	88 Å²	88	35.6 Å²	35.6	54%	0.54	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-35.6	175.4	72.9	0	0	0	0	112.1	D300	D300-T302 PolarHBondContact O-N 2.75Å; D300-T302 WeakPolarHBondContact OD1-CA 3.37Å; D300-T302 WeakPolarHBondContact OD1-CB 3.26Å; D300-T302 PolarHBondContact OD1-N 3.34Å; D300-T302 PolarHBondContact OD1-OG1 3.29Å
303	L	98.2	Very high	98.7	Very high	57 Å²	57	34 Å²	34	30%	0.298	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-38	-176.8	-66.4	175.2	0	0	0	112.9	E235 N268 R269 D300	E235-L303 HydrophobicContact CG-CD1 4.37Å; N268-L303 CarbonylContact C-O 3.56Å; N268-L303 VanDerWaalsContact CA-O 3.27Å; N268-L303 WeakPolarHBondContact CA-O 3.18Å; N268-L303 WeakPolarHBondContact CB-O 3.32Å; R269-L303 WeakPolarHBondContact CB-O 3.27Å; R269-L303 PolarHBondContact N-O 3.3Å; D300-L303 HydrophobicContact CB-CB 4.2Å; D300-L303 PolarHBondContact O-N 2.95Å; D300-L303 PolarHBondContact OD1-N 2.93Å
304	D	98.7	Very high	98.7	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	18%	0.177	C	C	.	.	S	Bend	trans	-111.2	123.7	-168.5	-66.7	-56.8	0	0	0	111.5	K294 R299 D300	K294-D304 IonicContact NZ-OD2 2.77Å; K294-D304 PolarHBondContact NZ-OD2 3.45Å; R299-D304 WeakPolarHBondContact CD-O 3.41Å; R299-D304 HydrophobicContact CG-CB 3.46Å; R299-D304 VanDerWaalsContact CG-CB 3.46Å; R299-D304 PolarHBondContact NH1-O 3.34Å; D300-D304 PolarHBondContact N-OD2 2.97Å; D300-D304 WeakPolarHBondContact O-CB 3.29Å; D300-D304 PolarHBondContact O-N 2.91Å
305	P	98.9	Very high	98.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.167	C	C	.	.			trans	-70.7	145.1	172.3	30.9	-33.2	0	0	0	110.7	R269 L272 F288 M293 E309 M310	R269-P305 HydrophobicContact CB-CB 4.34Å; R269-P305 HydrophobicContact CG-CB 4.09Å; L272-P305 HydrophobicContact CD2-CB 3.61Å; L272-P305 HydrophobicContact CD2-CG 3.71Å; F288-P305 HydrophobicContact CD1-CG 3.74Å; F288-P305 HydrophobicContact CD2-CG 3.71Å; F288-P305 HydrophobicContact CE1-CG 3.72Å; F288-P305 HydrophobicContact CE2-CG 3.69Å; F288-P305 HydrophobicContact CG-CG 3.75Å; F288-P305 HydrophobicContact CZ-CG 3.7Å; M293-P305 HydrophobicContact CE-CG 4.27Å; M293-P305 VanDerWaalsContact CE-O 3.27Å; M293-P305 WeakPolarHBondContact CE-O 3.31Å; P305-E309 VanDerWaalsContact CA-OE2 3.29Å; P305-E309 WeakPolarHBondContact CA-OE2 3.32Å; P305-E309 HydrophobicContact CB-CB 4.11Å; P305-M310 HydrophobicContact CB-CG 3.85Å; P305-M310 HydrophobicContact CG-CG 3.65Å; P305-M310 HydrophobicContact CG-SD 4.15Å
306	S	98.9	Very high	98.7	Very high	7 Å²	7	34.5 Å²	34.5	5%	0.049	18%	0.179	C	C	.	.			trans	-72.4	165.8	168.5	73.5	0	0	0	0	111.4	L308 E309 M310	S306-L308 PolarHBondContact O-N 3.45Å; S306-E309 PolarHBondContact N-OE2 3.32Å; S306-E309 PolarHBondContact O-N 3.44Å; S306-E309 WeakPolarHBondContact OG-CG 3.21Å; S306-E309 PolarHBondContact OG-N 2.96Å; S306-M310 WeakPolarHBondContact O-CG 3.39Å; S306-M310 PolarHBondContact O-N 2.9Å
307	L	98.9	Very high	98.7	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.016	17%	0.17	C	C	.	.	H	α-helix	trans	-57.4	-38.4	174	-176.8	56.6	0	0	0	112.2	V165 T167 M310 T311 V329 M352 F353 A356	V165-L307 HydrophobicContact CG1-CD1 3.78Å; T167-L307 HydrophobicContact CG2-CB 3.92Å; T167-L307 HydrophobicContact CG2-CD1 4.19Å; T167-L307 HydrophobicContact CG2-CD2 4.3Å; T167-L307 HydrophobicContact CG2-CG 4.36Å; L307-M310 HydrophobicContact CB-CE 4.48Å; L307-M310 HydrophobicContact CD1-CE 4.01Å; L307-M310 PolarHBondContact O-N 3.1Å; L307-T311 WeakPolarHBondContact O-CB 3.3Å; L307-T311 PolarHBondContact O-N 3.49Å; L307-T311 PolarHBondContact O-OG1 2.85Å; L307-V329 HydrophobicContact CD1-CG1 3.73Å; L307-V329 HydrophobicContact CD2-CG1 4.5Å; L307-V329 HydrophobicContact CG-CG1 4.19Å; L307-M352 HydrophobicContact CB-CG 3.93Å; L307-M352 HydrophobicContact CB-SD 4.31Å; L307-F353 HydrophobicContact CD2-CB 4.3Å; L307-F353 HydrophobicContact CD2-CD2 4.05Å; L307-A356 HydrophobicContact CD2-CB 4.36Å; L307-A356 HydrophobicContact CG-CB 3.99Å
308	L	98.9	Very high	98.7	Very high	44 Å²	44	29.6 Å²	29.6	23%	0.23	15%	0.154	C	C	.	.	H	α-helix	trans	-58.5	-48.4	173.3	179.6	159.4	0	0	0	111.2	S306 T311 E312 M352 D355 A356 R359	S306-L308 PolarHBondContact O-N 3.45Å; L308-T311 PolarHBondContact O-N 2.83Å; L308-E312 PolarHBondContact O-N 3.41Å; L308-M352 HydrophobicContact CB-SD 3.91Å; L308-D355 HydrophobicContact CD1-CB 4.01Å; L308-A356 HydrophobicContact CB-CB 4.42Å; L308-R359 HydrophobicContact CD1-CB 4.06Å; L308-R359 HydrophobicContact CD1-CG 4.47Å; L308-R359 HydrophobicContact CD2-CB 4.37Å; L308-R359 HydrophobicContact CD2-CG 3.94Å; L308-R359 HydrophobicContact CG-CB 3.77Å; L308-R359 HydrophobicContact CG-CG 3.89Å
309	E	98.9	Very high	98.7	Very high	34 Å²	34	28.5 Å²	28.5	16%	0.159	15%	0.154	C	C	.	.	H	α-helix	trans	-67.1	-38.9	-178.1	-69.6	174.9	149.6	0	0	112.3	R269 M273 P305 S306 E312 A313	R269-E309 WeakPolarHBondContact CD-OE2 3.45Å; R269-E309 IonicContact CZ-OE1 3.58Å; R269-E309 VanDerWaalsContact CZ-OE1 3.24Å; R269-E309 IonicContact CZ-OE2 3.02Å; R269-E309 VanDerWaalsContact NE-CD 3.27Å; R269-E309 IonicContact NE-OE1 3.45Å; R269-E309 PolarHBondContact NE-OE1 3.23Å; R269-E309 IonicContact NE-OE2 2.65Å; R269-E309 PolarHBondContact NE-OE2 3.04Å; R269-E309 IonicContact NH2-OE1 2.95Å; R269-E309 PolarHBondContact NH2-OE1 2.98Å; R269-E309 IonicContact NH2-OE2 2.86Å; M273-E309 HydrophobicContact CE-CB 4.03Å; P305-E309 VanDerWaalsContact CA-OE2 3.29Å; P305-E309 WeakPolarHBondContact CA-OE2 3.32Å; P305-E309 HydrophobicContact CB-CB 4.11Å; S306-E309 PolarHBondContact N-OE2 3.32Å; S306-E309 PolarHBondContact O-N 3.44Å; S306-E309 WeakPolarHBondContact OG-CG 3.21Å; S306-E309 PolarHBondContact OG-N 2.96Å; E309-E312 PolarHBondContact O-N 3.02Å; E309-A313 WeakPolarHBondContact O-CB 3.18Å; E309-A313 PolarHBondContact O-N 3.19Å
310	M	98.9	Very high	98.7	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64.1	-42.5	173.3	-66.3	-169.4	-70.6	0	0	111.6	V165 T166 T167 L219 L272 F288 M293 P305 S306 L307 A313 A314	V165-M310 HydrophobicContact CG1-CB 3.54Å; V165-M310 HydrophobicContact CG1-CE 4.3Å; V165-M310 HydrophobicContact CG1-SD 4.49Å; T166-M310 WeakPolarHBondContact O-CE 3.35Å; T167-M310 HydrophobicContact CG2-CE 4.27Å; L219-M310 HydrophobicContact CB-CB 4.26Å; L219-M310 HydrophobicContact CB-CG 4.39Å; L219-M310 HydrophobicContact CB-SD 4.03Å; L219-M310 HydrophobicContact CD1-CB 3.98Å; L219-M310 VanDerWaalsContact CD1-O 3.22Å; L219-M310 WeakPolarHBondContact CD1-O 3.38Å; L272-M310 HydrophobicContact CD2-CG 4.17Å; F288-M310 HydrophobicContact CD2-SD 3.65Å; F288-M310 HydrophobicContact CE2-CG 4.02Å; F288-M310 HydrophobicContact CE2-SD 3.5Å; F288-M310 WeakPolarHBondContact CE2-SD 3.43Å; M293-M310 HydrophobicContact CE-CE 3.97Å; M293-M310 HydrophobicContact CE-SD 4.04Å; M293-M310 HydrophobicContact SD-CE 3.47Å; M293-M310 WeakPolarHBondContact SD-CE 3.5Å; M293-M310 HydrophobicContact SD-SD 3.67Å; M293-M310 VanDerWaalsContact SD-SD 3.67Å; P305-M310 HydrophobicContact CB-CG 3.85Å; P305-M310 HydrophobicContact CG-CG 3.65Å; P305-M310 HydrophobicContact CG-SD 4.15Å; S306-M310 WeakPolarHBondContact O-CG 3.39Å; S306-M310 PolarHBondContact O-N 2.9Å; L307-M310 HydrophobicContact CB-CE 4.48Å; L307-M310 HydrophobicContact CD1-CE 4.01Å; L307-M310 PolarHBondContact O-N 3.1Å; M310-A313 PolarHBondContact O-N 3.28Å; M310-A314 WeakPolarHBondContact O-CB 3.31Å; M310-A314 PolarHBondContact O-N 3.17Å
311	T	98.9	Very high	98.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-61.5	-45.8	177.3	-59.8	0	0	0	0	111.2	F58 L307 L308 A314 L315 V329 A360	F58-T311 HydrophobicContact CE1-CG2 4.4Å; F58-T311 HydrophobicContact CZ-CG2 4.21Å; L307-T311 WeakPolarHBondContact O-CB 3.3Å; L307-T311 PolarHBondContact O-N 3.49Å; L307-T311 PolarHBondContact O-OG1 2.85Å; L308-T311 PolarHBondContact O-N 2.83Å; T311-A314 PolarHBondContact O-N 2.79Å; T311-L315 HydrophobicContact CG2-CD1 4.07Å; T311-L315 WeakPolarHBondContact O-CG 3.38Å; T311-L315 PolarHBondContact O-N 3.26Å; T311-V329 HydrophobicContact CG2-CG2 4.12Å; T311-V329 VanDerWaalsContact OG1-CG1 3.31Å; T311-V329 WeakPolarHBondContact OG1-CG1 3.37Å; T311-A360 HydrophobicContact CG2-CB 4.2Å
312	E	98.9	Very high	98.7	Very high	28 Å²	28	30.4 Å²	30.4	13%	0.131	16%	0.163	C	C	.	.	H	α-helix	trans	-62.7	-43.6	175.7	173.9	164.8	-174.4	0	0	112.2	L308 E309 A314 L315 R316 R359 L363	L308-E312 PolarHBondContact O-N 3.41Å; E309-E312 PolarHBondContact O-N 3.02Å; E312-A314 VanDerWaalsContact C-N 3.32Å; E312-A314 PolarHBondContact O-N 3.49Å; E312-L315 PolarHBondContact O-N 3.25Å; E312-R316 WeakPolarHBondContact O-CG 3.36Å; E312-R316 PolarHBondContact O-N 3.21Å; E312-R316 IonicContact OE1-CZ 3.22Å; E312-R316 IonicContact OE1-NE 2.82Å; E312-R316 PolarHBondContact OE1-NE 3.28Å; E312-R316 IonicContact OE1-NH2 3.66Å; E312-R316 PolarHBondContact OE1-NH2 2.66Å; E312-R359 HydrophobicContact CB-CG 4.36Å; E312-R359 IonicContact OE1-CZ 3.95Å; E312-R359 IonicContact OE1-NE 3.65Å; E312-R359 IonicContact OE1-NH2 3.47Å; E312-R359 PolarHBondContact OE1-NH2 3.07Å; E312-R359 IonicContact OE2-CZ 3.51Å; E312-R359 VanDerWaalsContact OE2-CZ 3.25Å; E312-R359 IonicContact OE2-NE 3.07Å; E312-R359 PolarHBondContact OE2-NE 2.94Å; E312-R359 IonicContact OE2-NH2 3.46Å; E312-R359 PolarHBondContact OE2-NH2 3.25Å; E312-L363 HydrophobicContact CB-CD1 4.03Å; E312-L363 HydrophobicContact CG-CD1 3.85Å
313	A	98.9	Very high	98.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60.9	-41.8	176.8	0	0	0	0	0	111.9	L219 L272 E309 M310 R316 L317	L219-A313 HydrophobicContact CD1-CB 4.33Å; L272-A313 HydrophobicContact CD1-CB 3.73Å; L272-A313 HydrophobicContact CD2-CB 4.15Å; L272-A313 HydrophobicContact CG-CB 3.97Å; E309-A313 WeakPolarHBondContact O-CB 3.18Å; E309-A313 PolarHBondContact O-N 3.19Å; M310-A313 PolarHBondContact O-N 3.28Å; A313-R316 PolarHBondContact O-N 2.91Å; A313-L317 PolarHBondContact O-N 3.46Å
314	A	98.9	Very high	98.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.3	-48.9	175.2	0	0	0	0	0	111.7	V165 V217 L219 M310 T311 E312 R316 L317 L318 L327	V165-A314 HydrophobicContact CG2-CB 3.66Å; V217-A314 HydrophobicContact CB-CB 4.47Å; V217-A314 HydrophobicContact CG1-CB 3.77Å; L219-A314 HydrophobicContact CD1-CB 4.21Å; M310-A314 WeakPolarHBondContact O-CB 3.31Å; M310-A314 PolarHBondContact O-N 3.17Å; T311-A314 PolarHBondContact O-N 2.79Å; E312-A314 VanDerWaalsContact C-N 3.32Å; E312-A314 PolarHBondContact O-N 3.49Å; A314-R316 VanDerWaalsContact C-N 3.3Å; A314-R316 PolarHBondContact O-N 3.37Å; A314-L317 PolarHBondContact O-N 3.44Å; A314-L317 VanDerWaalsContact O-N 3.1Å; A314-L318 HydrophobicContact CB-CD1 4.44Å; A314-L318 WeakPolarHBondContact O-CB 3.5Å; A314-L318 VanDerWaalsContact O-CG 3.27Å; A314-L318 WeakPolarHBondContact O-CG 3.47Å; A314-L318 PolarHBondContact O-N 3.19Å; A314-L327 HydrophobicContact CB-CD1 3.99Å
315	L	98.9	Very high	98.8	Very high	6 Å²	6	31.6 Å²	31.6	3%	0.031	15%	0.154	C	C	.	.	H	α-helix	trans	-61.2	-37	179.4	-73.2	170.4	0	0	0	112.4	I56 T311 E312 L317 S319 F325 L327 A360 L363 T364	I56-L315 HydrophobicContact CD1-CD2 4.07Å; T311-L315 HydrophobicContact CG2-CD1 4.07Å; T311-L315 WeakPolarHBondContact O-CG 3.38Å; T311-L315 PolarHBondContact O-N 3.26Å; E312-L315 PolarHBondContact O-N 3.25Å; L315-L317 PolarHBondContact O-N 3.22Å; L315-S319 WeakPolarHBondContact O-CB 3.4Å; L315-S319 PolarHBondContact O-N 3.09Å; L315-S319 PolarHBondContact O-OG 3.36Å; L315-F325 HydrophobicContact CD2-CE1 4.35Å; L315-F325 HydrophobicContact CD2-CE2 3.62Å; L315-F325 HydrophobicContact CD2-CZ 3.42Å; L315-F325 VanDerWaalsContact CD2-CZ 3.42Å; L315-L327 HydrophobicContact CD2-CD2 3.69Å; L315-L327 HydrophobicContact CG-CD2 3.88Å; L315-A360 HydrophobicContact CD1-CB 3.79Å; L315-L363 HydrophobicContact CB-CD1 4.45Å; L315-L363 HydrophobicContact CD1-CB 3.99Å; L315-L363 HydrophobicContact CD1-CD1 3.94Å; L315-T364 HydrophobicContact CD2-CG2 3.99Å
316	R	98.7	Very high	98.8	Very high	76 Å²	76	31.6 Å²	31.6	29%	0.287	15%	0.154	S	C	.	.	H	α-helix	trans	-60.7	-31.6	175.5	-75.6	173.4	-176.7	171.3	1.9	113.5	S276 E312 A313 A314 R320	S276-R316 PolarHBondContact OG-NH1 3.39Å; E312-R316 WeakPolarHBondContact O-CG 3.36Å; E312-R316 PolarHBondContact O-N 3.21Å; E312-R316 IonicContact OE1-CZ 3.22Å; E312-R316 IonicContact OE1-NE 2.82Å; E312-R316 PolarHBondContact OE1-NE 3.28Å; E312-R316 IonicContact OE1-NH2 3.66Å; E312-R316 PolarHBondContact OE1-NH2 2.66Å; A313-R316 PolarHBondContact O-N 2.91Å; A314-R316 VanDerWaalsContact C-N 3.3Å; A314-R316 PolarHBondContact O-N 3.37Å; R316-R320 WeakPolarHBondContact O-CG 3.24Å; R316-R320 PolarHBondContact O-NE 3.25Å
317	L	98.7	Very high	98.8	Very high	6 Å²	6	31.3 Å²	31.3	3%	0.031	15%	0.152	C	C	.	.	H	α-helix	trans	-88.2	-49.6	179.4	-162.3	149	0	0	0	111	D216 V217 V281 T282 L284 A313 A314 L315 S319 R320	D216-L317 HydrophobicContact CB-CD2 4.32Å; V217-L317 HydrophobicContact CG2-CB 3.99Å; V217-L317 HydrophobicContact CG2-CD1 4.37Å; V217-L317 HydrophobicContact CG2-CD2 3.72Å; V217-L317 HydrophobicContact CG2-CG 4.23Å; V281-L317 HydrophobicContact CG1-CD1 3.87Å; T282-L317 WeakPolarHBondContact O-CD2 3.45Å; L284-L317 HydrophobicContact CB-CD1 3.91Å; A313-L317 PolarHBondContact O-N 3.46Å; A314-L317 PolarHBondContact O-N 3.44Å; A314-L317 VanDerWaalsContact O-N 3.1Å; L315-L317 PolarHBondContact O-N 3.22Å; L317-S319 PolarHBondContact O-N 2.85Å; L317-R320 VanDerWaalsContact O-CB 3.31Å; L317-R320 WeakPolarHBondContact O-CB 3.22Å; L317-R320 VanDerWaalsContact O-CG 3.27Å; L317-R320 WeakPolarHBondContact O-CG 3.43Å; L317-R320 PolarHBondContact O-N 3.47Å
318	L	98.8	Very high	98.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65.1	-35.2	-176.5	-65.5	177.8	0	0	0	113.5	D216 V217 A314 R320 N321 F325 L327	D216-L318 HydrophobicContact CB-CD2 4.01Å; V217-L318 HydrophobicContact CB-CD2 4.48Å; V217-L318 HydrophobicContact CG2-CD2 3.93Å; V217-L318 HydrophobicContact CG2-CG 4.02Å; A314-L318 HydrophobicContact CB-CD1 4.44Å; A314-L318 WeakPolarHBondContact O-CB 3.5Å; A314-L318 VanDerWaalsContact O-CG 3.27Å; A314-L318 WeakPolarHBondContact O-CG 3.47Å; A314-L318 PolarHBondContact O-N 3.19Å; L318-R320 PolarHBondContact O-N 3.44Å; L318-R320 VanDerWaalsContact O-N 3.14Å; L318-N321 PolarHBondContact O-N 2.65Å; L318-F325 HydrophobicContact CB-CB 3.74Å; L318-F325 HydrophobicContact CB-CD1 4.05Å; L318-F325 HydrophobicContact CB-CD2 4.17Å; L318-F325 HydrophobicContact CB-CG 3.74Å; L318-F325 HydrophobicContact CD1-CB 4.4Å; L318-F325 HydrophobicContact CD1-CD2 4.09Å; L318-F325 HydrophobicContact CD1-CG 4.39Å; L318-F325 HydrophobicContact CD2-CB 4.46Å; L318-F325 HydrophobicContact CG-CB 4.43Å; L318-L327 HydrophobicContact CD1-CB 3.97Å; L318-L327 HydrophobicContact CD1-CD1 3.81Å; L318-L327 HydrophobicContact CD1-CD2 4.48Å; L318-L327 HydrophobicContact CD1-CG 4.29Å
319	S	98.6	Very high	98.8	Very high	66 Å²	66	29 Å²	29	46%	0.462	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-14.9	179.3	59.5	0	0	0	0	113.9	L315 L317 N321	L315-S319 WeakPolarHBondContact O-CB 3.4Å; L315-S319 PolarHBondContact O-N 3.09Å; L315-S319 PolarHBondContact O-OG 3.36Å; L317-S319 PolarHBondContact O-N 2.85Å; S319-N321 PolarHBondContact O-N 3.42Å
320	R	98.5	Very high	98.8	Very high	80 Å²	80	27.4 Å²	27.4	30%	0.302	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-23.5	177.7	-57	173.6	-169.4	-177.9	-2.2	112.1	S276 D278 V281 R316 L317 L318 P322	S276-R320 PolarHBondContact O-NH2 3.38Å; D278-R320 PolarHBondContact O-NH1 3.29Å; D278-R320 PolarHBondContact O-NH2 3.29Å; V281-R320 PolarHBondContact O-NH1 3.34Å; R316-R320 WeakPolarHBondContact O-CG 3.24Å; R316-R320 PolarHBondContact O-NE 3.25Å; L317-R320 VanDerWaalsContact O-CB 3.31Å; L317-R320 WeakPolarHBondContact O-CB 3.22Å; L317-R320 VanDerWaalsContact O-CG 3.27Å; L317-R320 WeakPolarHBondContact O-CG 3.43Å; L317-R320 PolarHBondContact O-N 3.47Å; L318-R320 PolarHBondContact O-N 3.44Å; L318-R320 VanDerWaalsContact O-N 3.14Å; R320-P322 WeakPolarHBondContact O-CD 3.31Å
321	N	98.5	Very high	98.8	Very high	31 Å²	31	27.4 Å²	27.4	17%	0.166	13%	0.132	C	C	.	.			trans	-78.3	117.6	-179.3	-172	-22	0	0	0	111	G159 S161 L318 S319 R323 G324	G159-N321 PolarHBondContact O-ND2 3.07Å; S161-N321 PolarHBondContact N-ND2 3.47Å; S161-N321 WeakPolarHBondContact OG-CB 3.39Å; S161-N321 PolarHBondContact OG-ND2 3.05Å; L318-N321 PolarHBondContact O-N 2.65Å; S319-N321 PolarHBondContact O-N 3.42Å; N321-R323 PolarHBondContact O-N 3.18Å; N321-R323 VanDerWaalsContact O-N 3.16Å; N321-R323 WeakPolarHBondContact OD1-CB 3.4Å; N321-R323 PolarHBondContact OD1-N 3.33Å; N321-G324 PolarHBondContact O-N 3.29Å
322	P	97.9	Very high	98.8	Very high	111 Å²	111	27.4 Å²	27.4	72%	0.721	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-19	-179.1	27.8	-35.8	0	0	0	113.4	K53 R320 G324	K53-P322 VanDerWaalsContact CE-O 3.28Å; K53-P322 WeakPolarHBondContact CE-O 3.47Å; R320-P322 WeakPolarHBondContact O-CD 3.31Å; P322-G324 PolarHBondContact O-N 2.9Å
323	R	98.3	Very high	98.8	Very high	168 Å²	168	27.6 Å²	27.6	63%	0.634	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-6.1	173.6	-60.4	-176.1	-178.1	-82.7	-2	113	G159 K160 N321	G159-R323 WeakPolarHBondContact O-CD 3.49Å; K160-R323 PolarHBondContact NZ-O 3.2Å; N321-R323 PolarHBondContact O-N 3.18Å; N321-R323 VanDerWaalsContact O-N 3.16Å; N321-R323 WeakPolarHBondContact OD1-CB 3.4Å; N321-R323 PolarHBondContact OD1-N 3.33Å
324	G	98.8	Very high	98.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.132	C	C	.	.			trans	85.2	-168.2	-176	0	0	0	0	0	113.1	K53 N54 K160 S161 N321 P322	K53-G324 WeakPolarHBondContact O-CA 3.23Å; N54-G324 WeakPolarHBondContact OD1-CA 3Å; K160-G324 WeakPolarHBondContact CA-O 3.11Å; K160-G324 WeakPolarHBondContact CB-O 3.23Å; S161-G324 PolarHBondContact N-O 2.61Å; S161-G324 VanDerWaalsContact N-O 3.13Å; N321-G324 PolarHBondContact O-N 3.29Å; P322-G324 PolarHBondContact O-N 2.9Å
325	F	98.9	Very high	98.8	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.018	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	163.2	-173.9	62	-93.3	0	0	0	114.1	N54 L55 I56 S161 L315 L318 L327 T364	N54-F325 CarbonylContact C-O 3.56Å; N54-F325 WeakPolarHBondContact CA-O 3.28Å; N54-F325 HydrophobicContact CB-CD1 4.03Å; N54-F325 HydrophobicContact CB-CD2 4.37Å; N54-F325 HydrophobicContact CB-CE1 3.69Å; N54-F325 HydrophobicContact CB-CE2 4.07Å; N54-F325 HydrophobicContact CB-CG 4.35Å; N54-F325 HydrophobicContact CB-CZ 3.7Å; N54-F325 VanDerWaalsContact CG-CE1 3.41Å; N54-F325 VanDerWaalsContact OD1-CD1 3.31Å; N54-F325 WeakPolarHBondContact OD1-CD1 3.39Å; N54-F325 WeakPolarHBondContact OD1-CE1 3.42Å; N54-F325 PolarHBondContact OD1-N 2.69Å; L55-F325 PolarHBondContact N-O 3.27Å; I56-F325 HydrophobicContact CD1-CE2 3.95Å; I56-F325 HydrophobicContact CD1-CZ 4.18Å; I56-F325 HydrophobicContact CG1-CE2 3.78Å; I56-F325 HydrophobicContact CG1-CZ 4.41Å; S161-F325 CarbonylContact O-C 3.56Å; S161-F325 WeakPolarHBondContact O-CA 3.35Å; S161-F325 VanDerWaalsContact O-CB 3.26Å; S161-F325 WeakPolarHBondContact O-CB 3.43Å; L315-F325 HydrophobicContact CD2-CE1 4.35Å; L315-F325 HydrophobicContact CD2-CE2 3.62Å; L315-F325 HydrophobicContact CD2-CZ 3.42Å; L315-F325 VanDerWaalsContact CD2-CZ 3.42Å; L318-F325 HydrophobicContact CB-CB 3.74Å; L318-F325 HydrophobicContact CB-CD1 4.05Å; L318-F325 HydrophobicContact CB-CD2 4.17Å; L318-F325 HydrophobicContact CB-CG 3.74Å; L318-F325 HydrophobicContact CD1-CB 4.4Å; L318-F325 HydrophobicContact CD1-CD2 4.09Å; L318-F325 HydrophobicContact CD1-CG 4.39Å; L318-F325 HydrophobicContact CD2-CB 4.46Å; L318-F325 HydrophobicContact CG-CB 4.43Å; F325-L327 HydrophobicContact CD2-CB 3.9Å; F325-L327 HydrophobicContact CE2-CB 3.97Å; F325-T364 HydrophobicContact CZ-CG2 4.09Å
326	Y	98.9	Very high	98.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	129.1	160	-179.7	-77.3	0	0	0	108.9	L55 L119 V151 M152 A155 S161 V162 G163 F328 M481	L55-Y326 HydrophobicContact CB-CD2 3.68Å; L55-Y326 HydrophobicContact CB-CE2 4.38Å; L55-Y326 HydrophobicContact CB-CG 4.35Å; L55-Y326 HydrophobicContact CD1-CD2 3.8Å; L55-Y326 HydrophobicContact CD1-CE2 4.44Å; L55-Y326 HydrophobicContact CG-CD2 4.42Å; L55-Y326 CarbonylContact O-C 3.53Å; L55-Y326 VanDerWaalsContact O-CA 3.31Å; L55-Y326 WeakPolarHBondContact O-CA 3.45Å; L119-Y326 WeakPolarHBondContact CD2-OH 3.17Å; V151-Y326 HydrophobicContact CB-CE2 4.03Å; V151-Y326 HydrophobicContact CG1-CD2 4.05Å; V151-Y326 HydrophobicContact CG1-CE2 3.81Å; M152-Y326 HydrophobicContact CB-CD1 3.6Å; M152-Y326 HydrophobicContact CB-CE1 3.67Å; M152-Y326 HydrophobicContact CB-CG 4.19Å; M152-Y326 HydrophobicContact CG-CD1 3.52Å; M152-Y326 HydrophobicContact CG-CE1 3.99Å; M152-Y326 HydrophobicContact CG-CG 4.21Å; M152-Y326 HydrophobicContact SD-CD1 4.16Å; M152-Y326 HydrophobicContact SD-CE1 4.38Å; A155-Y326 HydrophobicContact CB-CG 4.44Å; S161-Y326 PolarHBondContact O-N 2.9Å; V162-Y326 CarbonylContact C-O 3.53Å; V162-Y326 VanDerWaalsContact CA-O 3.27Å; V162-Y326 WeakPolarHBondContact CA-O 3.36Å; G163-Y326 PolarHBondContact N-O 3.09Å; Y326-F328 HydrophobicContact CE1-CB 4.09Å; Y326-M481 HydrophobicContact CD2-CE 4.19Å; Y326-M481 HydrophobicContact CE2-CE 3.54Å; Y326-M481 HydrophobicContact CE2-SD 4.26Å
327	L	99	Very high	98.8	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	124.8	177.3	175.9	61.5	0	0	0	110.1	L55 I56 L57 V165 A314 L315 L318 F325 V329	L55-L327 PolarHBondContact O-N 3.15Å; I56-L327 WeakPolarHBondContact CA-O 3.12Å; I56-L327 HydrophobicContact CG1-CB 4.35Å; I56-L327 HydrophobicContact CG2-CB 4.42Å; I56-L327 HydrophobicContact CG2-CD2 4.41Å; I56-L327 HydrophobicContact CG2-CG 4.46Å; L57-L327 PolarHBondContact N-O 3.25Å; V165-L327 HydrophobicContact CG2-CD1 3.86Å; A314-L327 HydrophobicContact CB-CD1 3.99Å; L315-L327 HydrophobicContact CD2-CD2 3.69Å; L315-L327 HydrophobicContact CG-CD2 3.88Å; L318-L327 HydrophobicContact CD1-CB 3.97Å; L318-L327 HydrophobicContact CD1-CD1 3.81Å; L318-L327 HydrophobicContact CD1-CD2 4.48Å; L318-L327 HydrophobicContact CD1-CG 4.29Å; F325-L327 HydrophobicContact CD2-CB 3.9Å; F325-L327 HydrophobicContact CE2-CB 3.97Å; L327-V329 HydrophobicContact CD1-CG2 4.1Å; L327-V329 HydrophobicContact CD2-CG2 3.78Å; L327-V329 HydrophobicContact CG-CG2 3.65Å
328	F	99	Very high	98.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	128	166.1	175.6	-102.3	0	0	0	109.4	L57 L59 Y118 L119 G163 V164 V165 P175 T178 Y326 E330	L57-F328 HydrophobicContact CB-CD2 4.5Å; L57-F328 HydrophobicContact CD2-CD2 4.18Å; L57-F328 HydrophobicContact CD2-CE2 4.44Å; L57-F328 HydrophobicContact CG-CD2 4.38Å; L57-F328 WeakPolarHBondContact O-CA 3.31Å; L59-F328 HydrophobicContact CB-CE2 3.58Å; L59-F328 HydrophobicContact CB-CZ 3.92Å; L59-F328 HydrophobicContact CG-CE2 4.1Å; L59-F328 HydrophobicContact CG-CZ 4.32Å; Y118-F328 AromaticContact CE2-CE2 3.94Å; Y118-F328 HydrophobicContact CE2-CE2 3.94Å; L119-F328 HydrophobicContact CD2-CD2 4.01Å; L119-F328 HydrophobicContact CD2-CE2 4.29Å; G163-F328 PolarHBondContact O-N 2.74Å; V164-F328 HydrophobicContact CG1-CD1 4.12Å; V165-F328 PolarHBondContact N-O 2.74Å; P175-F328 HydrophobicContact CB-CE1 4.08Å; T178-F328 HydrophobicContact CG2-CB 4.07Å; T178-F328 HydrophobicContact CG2-CD1 4.29Å; T178-F328 HydrophobicContact CG2-CD2 4.47Å; T178-F328 HydrophobicContact CG2-CG 4.03Å; Y326-F328 HydrophobicContact CE1-CB 4.09Å; F328-E330 HydrophobicContact CE1-CB 3.65Å; F328-E330 HydrophobicContact CE1-CG 4.24Å; F328-E330 HydrophobicContact CZ-CB 3.8Å; F328-E330 HydrophobicContact CZ-CG 4.02Å
329	V	99	Very high	98.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	126.9	176.2	-172.6	0	0	0	0	109.5	L57 F58 L59 V165 L307 T311 L327	L57-V329 PolarHBondContact O-N 3.27Å; F58-V329 CarbonylContact C-O 3.6Å; F58-V329 VanDerWaalsContact CA-O 3.31Å; F58-V329 WeakPolarHBondContact CA-O 3.45Å; F58-V329 HydrophobicContact CD1-CB 3.58Å; F58-V329 HydrophobicContact CD1-CG1 3.8Å; F58-V329 HydrophobicContact CD1-CG2 4.24Å; F58-V329 HydrophobicContact CE1-CB 3.59Å; F58-V329 HydrophobicContact CE1-CG1 3.6Å; F58-V329 HydrophobicContact CE1-CG2 3.84Å; F58-V329 HydrophobicContact CG-CB 4.35Å; F58-V329 HydrophobicContact CZ-CB 4.37Å; F58-V329 HydrophobicContact CZ-CG2 4.16Å; L59-V329 PolarHBondContact N-O 3.35Å; V165-V329 HydrophobicContact CB-CG1 4.37Å; V165-V329 HydrophobicContact CB-CG2 4.38Å; V165-V329 HydrophobicContact CG1-CG1 4.29Å; V165-V329 CarbonylContact O-C 3.58Å; V165-V329 VanDerWaalsContact O-CA 3.29Å; V165-V329 WeakPolarHBondContact O-CA 3.12Å; L307-V329 HydrophobicContact CD1-CG1 3.73Å; L307-V329 HydrophobicContact CD2-CG1 4.5Å; L307-V329 HydrophobicContact CG-CG1 4.19Å; T311-V329 HydrophobicContact CG2-CG2 4.12Å; T311-V329 VanDerWaalsContact OG1-CG1 3.31Å; T311-V329 WeakPolarHBondContact OG1-CG1 3.37Å; L327-V329 HydrophobicContact CD1-CG2 4.1Å; L327-V329 HydrophobicContact CD2-CG2 3.78Å; L327-V329 HydrophobicContact CG-CG2 3.65Å
330	E	99	Very high	98.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	125.3	-174.4	-165.4	-160.6	176.9	0	0	112.8	L59 V165 T166 T167 T168 S174 P175 F328 G332	L59-E330 HydrophobicContact CB-CG 4.42Å; L59-E330 HydrophobicContact CD1-CG 4.27Å; L59-E330 CarbonylContact O-C 3.55Å; L59-E330 VanDerWaalsContact O-CA 3.24Å; L59-E330 WeakPolarHBondContact O-CA 3.11Å; V165-E330 PolarHBondContact O-N 2.84Å; T166-E330 WeakPolarHBondContact CB-OE2 3.33Å; T166-E330 PolarHBondContact OG1-OE2 3.29Å; T167-E330 PolarHBondContact N-O 2.75Å; T168-E330 PolarHBondContact OG1-OE2 2.82Å; S174-E330 WeakPolarHBondContact CB-OE1 3.3Å; S174-E330 PolarHBondContact OG-OE1 2.7Å; P175-E330 WeakPolarHBondContact CD-OE2 3.39Å; F328-E330 HydrophobicContact CE1-CB 3.65Å; F328-E330 HydrophobicContact CE1-CG 4.24Å; F328-E330 HydrophobicContact CZ-CB 3.8Å; F328-E330 HydrophobicContact CZ-CG 4.02Å; E330-G332 PolarHBondContact O-N 3.3Å; E330-G332 WeakPolarHBondContact OE1-CA 3.47Å
331	G	98.9	Very high	98.8	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.107	C	C	.	.			trans	-83.4	62.6	161.6	0	0	0	0	0	110.3	L59 R333 I334	L59-G331 PolarHBondContact O-N 2.98Å; G331-R333 VanDerWaalsContact C-N 3.3Å; G331-R333 PolarHBondContact O-N 3.28Å; G331-I334 WeakPolarHBondContact O-CD1 3.49Å; G331-I334 VanDerWaalsContact O-CG1 3.26Å; G331-I334 WeakPolarHBondContact O-CG1 3.32Å; G331-I334 PolarHBondContact O-N 2.92Å
332	G	98.7	Very high	98.8	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-15	-163.5	0	0	0	0	0	115.1	T167 E330	T167-G332 PolarHBondContact OG1-N 3.22Å; E330-G332 PolarHBondContact O-N 3.3Å; E330-G332 WeakPolarHBondContact OE1-CA 3.47Å
333	R	98.9	Very high	98.9	Very high	32 Å²	32	16 Å²	16	12%	0.121	7%	0.066	C	C	.	.	H	α-helix	trans	-89.4	0.6	176.6	-59	-150.6	65.7	177.6	3.2	114.1	T167 T168 M293 Y295 G331 D335 H336 G337 E349	T167-R333 PolarHBondContact OG1-N 3.06Å; T168-R333 HydrophobicContact CG2-CG 4.42Å; M293-R333 WeakPolarHBondContact O-CD 3.31Å; M293-R333 PolarHBondContact O-NH1 3.41Å; Y295-R333 HydrophobicContact CD1-CB 3.97Å; Y295-R333 HydrophobicContact CE1-CB 3.84Å; Y295-R333 WeakPolarHBondContact CE1-O 3.35Å; Y295-R333 PolarHBondContact OH-NH2 3.36Å; G331-R333 VanDerWaalsContact C-N 3.3Å; G331-R333 PolarHBondContact O-N 3.28Å; R333-D335 VanDerWaalsContact C-N 3.32Å; R333-H336 HydrophobicContact CB-CB 4.48Å; R333-H336 PolarHBondContact NE-ND1 3.34Å; R333-H336 PolarHBondContact O-N 3.27Å; R333-G337 PolarHBondContact O-N 3.05Å; R333-G337 VanDerWaalsContact O-N 3.09Å; R333-E349 HydrophobicContact CB-CG 3.93Å; R333-E349 WeakPolarHBondContact CB-OE2 3.08Å
334	I	98.9	Very high	98.9	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-57.5	-51.3	167.3	-62.2	168.6	0	0	0	108.9	D61 M63 T67 G331 H336 G337 H338 A346 E349 A350 F353	D61-I334 VanDerWaalsContact O-CB 3.32Å; D61-I334 WeakPolarHBondContact O-CB 3.38Å; M63-I334 HydrophobicContact CB-CD1 4.13Å; M63-I334 HydrophobicContact CB-CG2 4.22Å; M63-I334 HydrophobicContact CG-CD1 4.14Å; M63-I334 HydrophobicContact CG-CG2 4.47Å; M63-I334 HydrophobicContact SD-CD1 4Å; T67-I334 HydrophobicContact CG2-CG2 3.92Å; G331-I334 WeakPolarHBondContact O-CD1 3.49Å; G331-I334 VanDerWaalsContact O-CG1 3.26Å; G331-I334 WeakPolarHBondContact O-CG1 3.32Å; G331-I334 PolarHBondContact O-N 2.92Å; I334-H336 PolarHBondContact O-N 2.91Å; I334-G337 PolarHBondContact O-N 3.28Å; I334-H338 PolarHBondContact O-N 3.39Å; I334-A346 WeakPolarHBondContact O-CB 3.26Å; I334-E349 HydrophobicContact CB-CB 4.39Å; I334-E349 HydrophobicContact CG1-CB 3.56Å; I334-A350 HydrophobicContact CD1-CB 3.9Å; I334-A350 HydrophobicContact CG1-CB 4.13Å; I334-F353 HydrophobicContact CD1-CB 4.14Å; I334-F353 HydrophobicContact CD1-CD1 4.4Å; I334-F353 HydrophobicContact CD1-CG 4.33Å
335	D	98.9	Very high	98.9	Very high	3 Å²	3	11.4 Å²	11.4	2%	0.016	5%	0.05	C	C	.	.	H	α-helix	trans	-54.5	-50	174.8	172.4	75.3	0	0	0	112.7	D61 R333 G337 H338 H339 H377 H379 H451	D61-D335 HydrophobicContact CB-CB 3.96Å; D61-D335 WeakPolarHBondContact O-CB 3.43Å; D61-D335 PolarHBondContact O-N 2.82Å; D61-D335 WeakPolarHBondContact OD1-CB 3.17Å; R333-D335 VanDerWaalsContact C-N 3.32Å; D335-G337 VanDerWaalsContact C-N 3.27Å; D335-G337 PolarHBondContact O-N 3.28Å; D335-H338 WeakPolarHBondContact O-CB 3.24Å; D335-H338 PolarHBondContact O-N 3.09Å; D335-H339 PolarHBondContact O-N 3.07Å; D335-H339 IonicContact OD1-CD2 2.98Å; D335-H339 IonicContact OD1-CE1 2.82Å; D335-H339 IonicContact OD1-NE2 3.46Å; D335-H339 IonicContact OD2-CD2 3.89Å; D335-H339 PolarHBondContact OD2-CD2 3.07Å; D335-H339 IonicContact OD2-NE2 3.35Å; D335-H339 PolarHBondContact OD2-NE2 3.3Å; D335-H377 IonicContact OD1-CE1 2.77Å; D335-H377 PolarHBondContact OD1-CE1 3.11Å; D335-H379 WeakPolarHBondContact CA-NE2 3.42Å; D335-H379 IonicContact OD1-CE1 3.14Å; D335-H379 PolarHBondContact OD1-CE1 2.96Å; D335-H379 IonicContact OD1-NE2 3.39Å; D335-H379 PolarHBondContact OD1-NE2 3.16Å; D335-H451 IonicContact OD1-CD2 3.09Å; D335-H451 PolarHBondContact OD1-CD2 3.39Å; D335-H451 IonicContact OD1-NE2 3.62Å; D335-H451 PolarHBondContact OD1-NE2 3.44Å
336	H	98.9	Very high	98.9	Very high	24 Å²	24	11.2 Å²	11.2	11%	0.111	5%	0.049	C	C	.	.	H	α-helix	trans	-58.4	-40	179.3	-63.1	178.9	0	0	0	112.1	H172 D292 Y295 R333 I334 H338 H339 E340	H172-H336 AromaticContact CE1-NE2 3.95Å; D292-H336 IonicContact OD2-CE1 3.96Å; D292-H336 PolarHBondContact OD2-CE1 2.8Å; Y295-H336 HydrophobicContact CE1-CB 4.31Å; Y295-H336 WeakPolarHBondContact OH-CB 3.42Å; Y295-H336 PolarHBondContact OH-O 3.24Å; R333-H336 HydrophobicContact CB-CB 4.48Å; R333-H336 PolarHBondContact NE-ND1 3.34Å; R333-H336 PolarHBondContact O-N 3.27Å; I334-H336 PolarHBondContact O-N 2.91Å; H336-H338 VanDerWaalsContact C-N 3.33Å; H336-H338 PolarHBondContact O-N 3.39Å; H336-H339 PolarHBondContact O-N 3.33Å; H336-E340 VanDerWaalsContact O-CG 3.32Å; H336-E340 WeakPolarHBondContact O-CG 3.47Å; H336-E340 PolarHBondContact O-N 2.95Å
337	G	98.9	Very high	98.9	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-63	-39.8	176.3	0	0	0	0	0	112.3	Y295 R333 I334 D335 E340 G341 L342	Y295-G337 PolarHBondContact OH-N 3.31Å; R333-G337 PolarHBondContact O-N 3.05Å; R333-G337 VanDerWaalsContact O-N 3.09Å; I334-G337 PolarHBondContact O-N 3.28Å; D335-G337 VanDerWaalsContact C-N 3.27Å; D335-G337 PolarHBondContact O-N 3.28Å; G337-E340 PolarHBondContact O-N 3.28Å; G337-G341 PolarHBondContact O-N 3.44Å; G337-L342 CarbonylContact O-C 3.49Å; G337-L342 PolarHBondContact O-N 3.23Å
338	H	98.9	Very high	98.9	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-69.1	-44	176	-75.3	-51	0	0	0	112.5	T67 I334 D335 H336 E340 G341 H379 F381 Y412 E449	T67-H338 VanDerWaalsContact CG2-NE2 3.31Å; T67-H338 WeakPolarHBondContact CG2-NE2 3.22Å; T67-H338 PolarHBondContact OG1-NE2 3.49Å; I334-H338 PolarHBondContact O-N 3.39Å; D335-H338 WeakPolarHBondContact O-CB 3.24Å; D335-H338 PolarHBondContact O-N 3.09Å; H336-H338 VanDerWaalsContact C-N 3.33Å; H336-H338 PolarHBondContact O-N 3.39Å; H338-E340 PolarHBondContact O-N 2.99Å; H338-G341 WeakPolarHBondContact O-CA 3.31Å; H338-G341 PolarHBondContact O-N 2.75Å; H338-H379 HydrophobicContact CB-CB 4.13Å; H338-H379 VanDerWaalsContact CB-CE1 3.44Å; H338-H379 WeakPolarHBondContact CB-CE1 3.33Å; H338-H379 VanDerWaalsContact CB-CG 3.41Å; H338-H379 WeakPolarHBondContact CB-ND1 3.36Å; H338-H379 AromaticContact CD2-CD2 3.34Å; H338-H379 PolarHBondContact CD2-CD2 2.73Å; H338-H379 AromaticContact CD2-CG 3.84Å; H338-H379 AromaticContact CD2-NE2 3.86Å; H338-H379 AromaticContact CG-CD2 3.66Å; H338-H379 AromaticContact CG-CG 3.72Å; H338-F381 AromaticContact CE1-CD1 3.99Å; H338-F381 AromaticContact CE1-CD2 3.76Å; H338-F381 AromaticContact CE1-CG 3.63Å; H338-F381 AromaticContact ND1-CD2 3.99Å; H338-Y412 HydrophobicContact CB-CE1 4.16Å; H338-Y412 AromaticContact ND1-CE1 3.54Å; H338-Y412 AromaticContact ND1-CZ 3.6Å; H338-Y412 PolarHBondContact ND1-OH 3.21Å; H338-E449 WeakPolarHBondContact O-CB 3.48Å
339	H	98.9	Very high	98.9	Very high	40 Å²	40	11.7 Å²	11.7	19%	0.185	5%	0.052	C	C	.	.	H	α-helix	trans	-55.1	-38	173.6	-84.2	-31.8	0	0	0	112.9	D335 H336 G341 H379 S448 E449 H451	D335-H339 PolarHBondContact O-N 3.07Å; D335-H339 IonicContact OD1-CD2 2.98Å; D335-H339 IonicContact OD1-CE1 2.82Å; D335-H339 IonicContact OD1-NE2 3.46Å; D335-H339 IonicContact OD2-CD2 3.89Å; D335-H339 PolarHBondContact OD2-CD2 3.07Å; D335-H339 IonicContact OD2-NE2 3.35Å; D335-H339 PolarHBondContact OD2-NE2 3.3Å; H336-H339 PolarHBondContact O-N 3.33Å; H339-G341 PolarHBondContact O-N 2.85Å; H339-H379 AromaticContact ND1-CE1 3.91Å; H339-S448 WeakPolarHBondContact CB-OG 3.46Å; H339-S448 PolarHBondContact ND1-OG 3.04Å; H339-S448 WeakPolarHBondContact O-CA 3.44Å; H339-E449 PolarHBondContact CE1-O 2.97Å; H339-E449 VanDerWaalsContact CE1-O 3.29Å; H339-E449 PolarHBondContact ND1-O 3.13Å; H339-E449 IonicContact ND1-OE2 3.31Å; H339-E449 PolarHBondContact O-N 2.93Å; H339-H451 AromaticContact CE1-CD2 3.31Å; H339-H451 PolarHBondContact CE1-CD2 2.99Å; H339-H451 AromaticContact CE1-NE2 3.25Å; H339-H451 PolarHBondContact CE1-NE2 3.07Å; H339-H451 AromaticContact NE2-CD2 3.71Å; H339-H451 AromaticContact NE2-NE2 3.18Å; H339-H451 PolarHBondContact NE2-NE2 3.33Å; H339-H451 VanDerWaalsContact NE2-NE2 3.18Å
340	E	98.9	Very high	98.9	Very high	59 Å²	59	11.8 Å²	11.8	28%	0.276	5%	0.053	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-5.6	174.5	-68.2	178.9	-138.9	0	0	113.2	Y295 H336 G337 H338 L342 P416 R439	Y295-E340 PolarHBondContact OH-OE1 3.32Å; H336-E340 VanDerWaalsContact O-CG 3.32Å; H336-E340 WeakPolarHBondContact O-CG 3.47Å; H336-E340 PolarHBondContact O-N 2.95Å; G337-E340 PolarHBondContact O-N 3.28Å; H338-E340 PolarHBondContact O-N 2.99Å; E340-L342 HydrophobicContact CB-CB 4.25Å; E340-L342 HydrophobicContact CB-CD1 3.97Å; E340-L342 HydrophobicContact CB-CG 3.91Å; E340-L342 PolarHBondContact O-N 3.36Å; E340-L342 VanDerWaalsContact OE2-CD1 3.27Å; E340-L342 WeakPolarHBondContact OE2-CD1 3.27Å; E340-P416 WeakPolarHBondContact O-CG 3.43Å; E340-R439 PolarHBondContact O-NH1 3.14Å
341	G	98.8	Very high	98.9	Very high	1 Å²	1	12 Å²	12	1%	0.01	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	18.5	-172.1	0	0	0	0	0	112.9	G337 H338 H339 R439 Q440	G337-G341 PolarHBondContact O-N 3.44Å; H338-G341 WeakPolarHBondContact O-CA 3.31Å; H338-G341 PolarHBondContact O-N 2.75Å; H339-G341 PolarHBondContact O-N 2.85Å; G341-R439 CarbonylContact O-C 3.46Å; G341-R439 VanDerWaalsContact O-CA 3.23Å; G341-R439 WeakPolarHBondContact O-CA 3.48Å; G341-Q440 PolarHBondContact O-N 3.37Å; G341-Q440 PolarHBondContact O-OE1 2.91Å
342	L	98.8	Very high	98.9	Very high	4 Å²	4	13 Å²	13	2%	0.021	6%	0.058	C	C	.	.			trans	-101.2	81.1	-177.8	-67.2	179.1	0	0	0	109.6	G337 E340 Y344 H345 A346 D437 Y438 R439	G337-L342 CarbonylContact O-C 3.49Å; G337-L342 PolarHBondContact O-N 3.23Å; E340-L342 HydrophobicContact CB-CB 4.25Å; E340-L342 HydrophobicContact CB-CD1 3.97Å; E340-L342 HydrophobicContact CB-CG 3.91Å; E340-L342 PolarHBondContact O-N 3.36Å; E340-L342 VanDerWaalsContact OE2-CD1 3.27Å; E340-L342 WeakPolarHBondContact OE2-CD1 3.27Å; L342-Y344 PolarHBondContact O-N 3.47Å; L342-Y344 VanDerWaalsContact O-N 3.13Å; L342-H345 HydrophobicContact CB-CB 4.17Å; L342-H345 PolarHBondContact O-N 3.43Å; L342-H345 VanDerWaalsContact O-N 3.09Å; L342-A346 PolarHBondContact O-N 3.36Å; L342-D437 WeakPolarHBondContact CD2-O 3.28Å; L342-Y438 WeakPolarHBondContact CD2-O 3.36Å; L342-R439 HydrophobicContact CD2-CB 4.4Å; L342-R439 HydrophobicContact CD2-CG 3.51Å; L342-R439 HydrophobicContact CG-CG 4.16Å
343	A	98.9	Very high	98.9	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-61.2	-26	-178.3	0	0	0	0	0	113.2	H345 A346 L347 F381 I410 Y412	A343-H345 PolarHBondContact O-N 3.35Å; A343-A346 PolarHBondContact O-N 3Å; A343-L347 WeakPolarHBondContact O-CB 3.49Å; A343-L347 WeakPolarHBondContact O-CG 3.42Å; A343-L347 PolarHBondContact O-N 3.45Å; A343-F381 HydrophobicContact CB-CE2 3.94Å; A343-I410 HydrophobicContact CB-CD1 3.85Å; A343-I410 HydrophobicContact CB-CG2 3.81Å; A343-Y412 WeakPolarHBondContact CA-OH 3.38Å; A343-Y412 HydrophobicContact CB-CE2 4.34Å
344	Y	98.9	Very high	98.9	Very high	67 Å²	67	11.4 Å²	11.4	26%	0.263	5%	0.053	S	C	.	.	H	α-helix	trans	-59.4	-48.3	174.5	-166.6	-80.4	0	0	0	111.2	I297 L342 T348 F394 P436	I297-Y344 HydrophobicContact CD1-CD1 4.01Å; I297-Y344 HydrophobicContact CD1-CE1 4.1Å; I297-Y344 HydrophobicContact CG2-CE1 4.04Å; L342-Y344 PolarHBondContact O-N 3.47Å; L342-Y344 VanDerWaalsContact O-N 3.13Å; Y344-T348 HydrophobicContact CD1-CG2 4.03Å; Y344-T348 HydrophobicContact CE1-CG2 3.82Å; Y344-T348 WeakPolarHBondContact O-CB 3.14Å; Y344-T348 VanDerWaalsContact O-CG2 3.29Å; Y344-T348 WeakPolarHBondContact O-CG2 3.5Å; Y344-T348 PolarHBondContact O-N 3.19Å; Y344-T348 PolarHBondContact O-OG1 3.03Å; Y344-F394 VanDerWaalsContact CA-CE1 3.45Å; Y344-F394 HydrophobicContact CD2-CD1 4.36Å; Y344-F394 AromaticContact CD2-CD2 3.75Å; Y344-F394 HydrophobicContact CD2-CD2 3.75Å; Y344-F394 HydrophobicContact CD2-CE1 4.05Å; Y344-F394 AromaticContact CD2-CE2 3.36Å; Y344-F394 HydrophobicContact CD2-CE2 3.36Å; Y344-F394 HydrophobicContact CD2-CG 4.23Å; Y344-F394 AromaticContact CD2-CZ 3.53Å; Y344-F394 HydrophobicContact CD2-CZ 3.53Å; Y344-F394 HydrophobicContact CE2-CD2 4.1Å; Y344-F394 AromaticContact CE2-CE2 3.66Å; Y344-F394 HydrophobicContact CE2-CE2 3.66Å; Y344-F394 HydrophobicContact CE2-CZ 4.2Å; Y344-F394 HydrophobicContact CG-CE1 4.35Å; Y344-F394 HydrophobicContact CG-CE2 4.27Å; Y344-F394 HydrophobicContact CG-CZ 4Å; Y344-P436 HydrophobicContact CD1-CB 3.72Å; Y344-P436 HydrophobicContact CD1-CG 4.09Å; Y344-P436 HydrophobicContact CE1-CB 3.94Å; Y344-P436 HydrophobicContact CE1-CG 3.85Å; Y344-P436 HydrophobicContact CE2-CG 4.49Å; Y344-P436 HydrophobicContact CG-CB 4.17Å
345	H	98.9	Very high	98.9	Very high	6 Å²	6	13.4 Å²	13.4	3%	0.028	6%	0.063	C	C	.	.	H	α-helix	trans	-61.8	-53.6	177.4	-71.2	-124.4	0	0	0	110.5	Y295 L342 A343 L347 T348 E349 P436	Y295-H345 HydrophobicContact CD1-CB 4.09Å; Y295-H345 AromaticContact CD1-ND1 3.96Å; Y295-H345 AromaticContact CD2-CE1 3.82Å; Y295-H345 AromaticContact CD2-ND1 3.09Å; Y295-H345 WeakPolarHBondContact CD2-ND1 3.36Å; Y295-H345 HydrophobicContact CE1-CB 3.98Å; Y295-H345 AromaticContact CE2-ND1 3.33Å; Y295-H345 VanDerWaalsContact CE2-ND1 3.33Å; Y295-H345 WeakPolarHBondContact CE2-ND1 3.38Å; Y295-H345 HydrophobicContact CG-CB 4.44Å; Y295-H345 AromaticContact CG-ND1 3.45Å; Y295-H345 AromaticContact CZ-ND1 3.89Å; L342-H345 HydrophobicContact CB-CB 4.17Å; L342-H345 PolarHBondContact O-N 3.43Å; L342-H345 VanDerWaalsContact O-N 3.09Å; A343-H345 PolarHBondContact O-N 3.35Å; H345-L347 PolarHBondContact O-N 2.97Å; H345-T348 PolarHBondContact O-N 2.97Å; H345-T348 PolarHBondContact O-OG1 3.39Å; H345-E349 WeakPolarHBondContact O-CG 3.5Å; H345-E349 PolarHBondContact O-N 2.91Å; H345-P436 PolarHBondContact CD2-O 3.31Å; H345-P436 PolarHBondContact NE2-O 3.33Å
346	A	98.9	Very high	98.9	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-55.2	-47.3	-178.7	0	0	0	0	0	112.8	I334 L342 A343 E349 A350	I334-A346 WeakPolarHBondContact O-CB 3.26Å; L342-A346 PolarHBondContact O-N 3.36Å; A343-A346 PolarHBondContact O-N 3Å; A346-E349 PolarHBondContact O-N 3Å; A346-A350 PolarHBondContact O-N 3.02Å
347	L	98.9	Very high	98.9	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-73.3	-32.7	-178.2	-61.3	-175.9	0	0	0	112.3	T67 A70 A71 L74 A343 H345 A350 V351 F381 I393 F394 I410	T67-L347 HydrophobicContact CG2-CD2 3.99Å; A70-L347 HydrophobicContact CB-CD1 3.7Å; A70-L347 HydrophobicContact CB-CD2 3.69Å; A70-L347 HydrophobicContact CB-CG 4.37Å; A71-L347 HydrophobicContact CB-CD2 4.36Å; L74-L347 HydrophobicContact CD2-CB 3.6Å; A343-L347 WeakPolarHBondContact O-CB 3.49Å; A343-L347 WeakPolarHBondContact O-CG 3.42Å; A343-L347 PolarHBondContact O-N 3.45Å; H345-L347 PolarHBondContact O-N 2.97Å; L347-A350 PolarHBondContact O-N 3.22Å; L347-V351 WeakPolarHBondContact O-CG2 3.5Å; L347-V351 PolarHBondContact O-N 3.34Å; L347-F381 HydrophobicContact CD2-CZ 4.34Å; L347-I393 HydrophobicContact CD1-CG1 4.26Å; L347-I393 HydrophobicContact CD1-CG2 4.08Å; L347-F394 HydrophobicContact CB-CZ 4.44Å; L347-F394 HydrophobicContact CD1-CE1 3.84Å; L347-F394 HydrophobicContact CD1-CZ 4.21Å; L347-I410 HydrophobicContact CD1-CD1 4.11Å
348	T	98.9	Very high	98.9	Very high	7 Å²	7	16.8 Å²	16.8	4%	0.043	8%	0.079	C	C	.	.	H	α-helix	trans	-69.9	-35	174.1	54.6	0	0	0	0	113.1	L74 I297 Y344 H345 A350 V351 M352	L74-T348 HydrophobicContact CD2-CG2 4.16Å; I297-T348 HydrophobicContact CG2-CG2 3.87Å; I297-T348 WeakPolarHBondContact CG2-OG1 3.41Å; Y344-T348 HydrophobicContact CD1-CG2 4.03Å; Y344-T348 HydrophobicContact CE1-CG2 3.82Å; Y344-T348 WeakPolarHBondContact O-CB 3.14Å; Y344-T348 VanDerWaalsContact O-CG2 3.29Å; Y344-T348 WeakPolarHBondContact O-CG2 3.5Å; Y344-T348 PolarHBondContact O-N 3.19Å; Y344-T348 PolarHBondContact O-OG1 3.03Å; H345-T348 PolarHBondContact O-N 2.97Å; H345-T348 PolarHBondContact O-OG1 3.39Å; T348-A350 VanDerWaalsContact C-N 3.34Å; T348-V351 PolarHBondContact O-N 2.99Å; T348-M352 PolarHBondContact O-N 3.17Å; T348-M352 VanDerWaalsContact O-N 3.11Å
349	E	98.9	Very high	98.9	Very high	3 Å²	3	19.8 Å²	19.8	1%	0.014	9%	0.09	C	C	.	.	H	α-helix	trans	-62.7	-42.4	169.3	-71.1	-61.8	110.8	0	0	111.1	Y295 E296 R333 I334 H345 A346 V351 M352 F353	Y295-E349 HydrophobicContact CD1-CG 3.78Å; Y295-E349 HydrophobicContact CE1-CG 4.34Å; E296-E349 VanDerWaalsContact CB-OE1 3.25Å; E296-E349 WeakPolarHBondContact CB-OE1 3.47Å; E296-E349 PolarHBondContact N-OE1 3.33Å; R333-E349 HydrophobicContact CB-CG 3.93Å; R333-E349 WeakPolarHBondContact CB-OE2 3.08Å; I334-E349 HydrophobicContact CB-CB 4.39Å; I334-E349 HydrophobicContact CG1-CB 3.56Å; H345-E349 WeakPolarHBondContact O-CG 3.5Å; H345-E349 PolarHBondContact O-N 2.91Å; A346-E349 PolarHBondContact O-N 3Å; E349-V351 VanDerWaalsContact C-N 3.29Å; E349-V351 PolarHBondContact O-N 3Å; E349-M352 PolarHBondContact O-N 3.49Å; E349-F353 WeakPolarHBondContact O-CB 3.45Å; E349-F353 PolarHBondContact O-N 3.48Å
350	A	98.9	Very high	98.9	Very high	2 Å²	2	17.9 Å²	17.9	2%	0.017	8%	0.082	C	C	.	.	H	α-helix	trans	-63.6	-34.9	177.6	0	0	0	0	0	112.4	M63 T67 A71 I334 A346 L347 T348 F353 D354	M63-A350 HydrophobicContact SD-CB 4.4Å; T67-A350 HydrophobicContact CG2-CB 4.44Å; A71-A350 HydrophobicContact CB-CB 3.72Å; I334-A350 HydrophobicContact CD1-CB 3.9Å; I334-A350 HydrophobicContact CG1-CB 4.13Å; A346-A350 PolarHBondContact O-N 3.02Å; L347-A350 PolarHBondContact O-N 3.22Å; T348-A350 VanDerWaalsContact C-N 3.34Å; A350-F353 PolarHBondContact O-N 2.84Å; A350-D354 PolarHBondContact O-N 3.43Å
351	V	98.9	Very high	98.9	Very high	5 Å²	5	17.6 Å²	17.6	3%	0.03	9%	0.094	C	C	.	.	H	α-helix	trans	-64.2	-47.5	172.1	171.6	0	0	0	0	111.1	L74 K75 L347 T348 E349 F353 D354 D355	L74-V351 HydrophobicContact CD2-CG2 4.05Å; L74-V351 HydrophobicContact CG-CG2 4.24Å; K75-V351 HydrophobicContact CB-CG1 4.49Å; K75-V351 HydrophobicContact CB-CG2 4.03Å; K75-V351 HydrophobicContact CD-CG1 4.23Å; K75-V351 HydrophobicContact CG-CG1 4.15Å; L347-V351 WeakPolarHBondContact O-CG2 3.5Å; L347-V351 PolarHBondContact O-N 3.34Å; T348-V351 PolarHBondContact O-N 2.99Å; E349-V351 VanDerWaalsContact C-N 3.29Å; E349-V351 PolarHBondContact O-N 3Å; V351-F353 VanDerWaalsContact C-N 3.3Å; V351-F353 PolarHBondContact O-N 2.95Å; V351-D354 PolarHBondContact O-N 3.12Å; V351-D355 VanDerWaalsContact O-CG 3.24Å; V351-D355 PolarHBondContact O-N 2.92Å
352	M	98.9	Very high	98.9	Very high	19 Å²	19	23 Å²	23	9%	0.094	12%	0.119	C	C	.	.	H	α-helix	trans	-63.9	-35.7	177.5	174.7	50	65.6	0	0	112.2	E296 L307 L308 T348 E349 D355 A356	E296-M352 HydrophobicContact CB-CB 4.45Å; E296-M352 VanDerWaalsContact CD-CE 3.45Å; E296-M352 HydrophobicContact CG-CB 4.25Å; E296-M352 HydrophobicContact CG-CE 3.94Å; E296-M352 HydrophobicContact CG-CG 4.37Å; L307-M352 HydrophobicContact CB-CG 3.93Å; L307-M352 HydrophobicContact CB-SD 4.31Å; L308-M352 HydrophobicContact CB-SD 3.91Å; T348-M352 PolarHBondContact O-N 3.17Å; T348-M352 VanDerWaalsContact O-N 3.11Å; E349-M352 PolarHBondContact O-N 3.49Å; M352-D355 PolarHBondContact O-N 3.38Å; M352-A356 PolarHBondContact O-N 3.3Å
353	F	98.9	Very high	98.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-62.4	-44.9	172.4	175.3	-108.6	0	0	0	112.3	F58 L59 M63 M90 L307 I334 E349 A350 V351 D355 A356 I357 I373	F58-F353 HydrophobicContact CB-CE2 3.82Å; F58-F353 HydrophobicContact CB-CZ 3.6Å; F58-F353 HydrophobicContact CD1-CD2 4.46Å; F58-F353 AromaticContact CD1-CE2 3.86Å; F58-F353 HydrophobicContact CD1-CE2 3.86Å; F58-F353 HydrophobicContact CD1-CZ 4.37Å; F58-F353 HydrophobicContact CG-CE2 4.35Å; F58-F353 HydrophobicContact CG-CZ 4.47Å; L59-F353 VanDerWaalsContact C-CZ 3.43Å; L59-F353 WeakPolarHBondContact O-CE2 3.46Å; M63-F353 HydrophobicContact CE-CD1 4.11Å; M63-F353 HydrophobicContact CE-CE1 3.61Å; M63-F353 HydrophobicContact SD-CD1 3.67Å; M63-F353 HydrophobicContact SD-CE1 3.81Å; M90-F353 HydrophobicContact CE-CD1 4.09Å; M90-F353 HydrophobicContact CE-CE1 4.16Å; L307-F353 HydrophobicContact CD2-CB 4.3Å; L307-F353 HydrophobicContact CD2-CD2 4.05Å; I334-F353 HydrophobicContact CD1-CB 4.14Å; I334-F353 HydrophobicContact CD1-CD1 4.4Å; I334-F353 HydrophobicContact CD1-CG 4.33Å; E349-F353 WeakPolarHBondContact O-CB 3.45Å; E349-F353 PolarHBondContact O-N 3.48Å; A350-F353 PolarHBondContact O-N 2.84Å; V351-F353 VanDerWaalsContact C-N 3.3Å; V351-F353 PolarHBondContact O-N 2.95Å; F353-D355 VanDerWaalsContact C-N 3.33Å; F353-D355 PolarHBondContact O-N 3.49Å; F353-A356 WeakPolarHBondContact O-CB 3.38Å; F353-A356 PolarHBondContact O-N 2.95Å; F353-I357 HydrophobicContact CD1-CD1 3.81Å; F353-I357 HydrophobicContact CE1-CD1 3.48Å; F353-I357 VanDerWaalsContact CE1-CD1 3.48Å; F353-I357 HydrophobicContact CE2-CD1 4.47Å; F353-I357 HydrophobicContact CG-CD1 4.45Å; F353-I357 HydrophobicContact CZ-CD1 3.87Å; F353-I357 WeakPolarHBondContact O-CG1 3.29Å; F353-I357 PolarHBondContact O-N 3.49Å; F353-I373 HydrophobicContact CE1-CG2 3.95Å; F353-I373 HydrophobicContact CZ-CG2 4.13Å
354	D	98.9	Very high	98.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-65.7	-33.8	174.7	-169.3	66.5	0	0	0	112.7	K75 L88 A89 M90 A350 V351 A356 I357 E358	K75-D354 IonicContact NZ-OD2 3.44Å; K75-D354 PolarHBondContact NZ-OD2 2.97Å; L88-D354 WeakPolarHBondContact CB-OD1 3.23Å; L88-D354 HydrophobicContact CD2-CB 4.38Å; A89-D354 WeakPolarHBondContact CB-OD1 3.36Å; A89-D354 VanDerWaalsContact N-CG 3.34Å; A89-D354 PolarHBondContact N-OD1 2.97Å; A89-D354 PolarHBondContact N-OD2 3.38Å; M90-D354 HydrophobicContact CE-CB 3.99Å; M90-D354 WeakPolarHBondContact CE-OD1 3.41Å; M90-D354 PolarHBondContact N-OD1 3.24Å; A350-D354 PolarHBondContact O-N 3.43Å; V351-D354 PolarHBondContact O-N 3.12Å; D354-A356 VanDerWaalsContact C-N 3.34Å; D354-I357 WeakPolarHBondContact O-CB 3.2Å; D354-I357 PolarHBondContact O-N 3.19Å; D354-E358 PolarHBondContact O-N 2.93Å
355	D	98.9	Very high	98.9	Very high	42 Å²	42	26.9 Å²	26.9	23%	0.225	15%	0.15	C	C	.	.	H	α-helix	trans	-64.7	-37.3	172.3	-64.5	-18	0	0	0	111.6	K75 L308 V351 M352 F353 E358 R359	K75-D355 WeakPolarHBondContact CE-OD1 3.35Å; K75-D355 IonicContact NZ-OD1 3.03Å; K75-D355 PolarHBondContact NZ-OD1 3.14Å; L308-D355 HydrophobicContact CD1-CB 4.01Å; V351-D355 VanDerWaalsContact O-CG 3.24Å; V351-D355 PolarHBondContact O-N 2.92Å; M352-D355 PolarHBondContact O-N 3.38Å; F353-D355 VanDerWaalsContact C-N 3.33Å; F353-D355 PolarHBondContact O-N 3.49Å; D355-E358 PolarHBondContact O-N 3.19Å; D355-R359 WeakPolarHBondContact O-CB 3.43Å; D355-R359 PolarHBondContact O-N 2.7Å
356	A	98.9	Very high	98.8	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-67.8	-37.1	174.5	0	0	0	0	0	112.5	F58 L307 L308 M352 F353 D354 R359 A360	F58-A356 HydrophobicContact CE1-CB 4.2Å; L307-A356 HydrophobicContact CD2-CB 4.36Å; L307-A356 HydrophobicContact CG-CB 3.99Å; L308-A356 HydrophobicContact CB-CB 4.42Å; M352-A356 PolarHBondContact O-N 3.3Å; F353-A356 WeakPolarHBondContact O-CB 3.38Å; F353-A356 PolarHBondContact O-N 2.95Å; D354-A356 VanDerWaalsContact C-N 3.34Å; A356-R359 PolarHBondContact O-N 3.32Å; A356-A360 PolarHBondContact O-N 3.48Å
357	I	98.9	Very high	98.8	Very high	5 Å²	5	36.5 Å²	36.5	3%	0.026	20%	0.195	C	C	.	.	H	α-helix	trans	-60.1	-50	171.9	-70.9	162.4	0	0	0	110.3	F58 A89 M90 F93 F353 D354 R359 A360 G361 I373	F58-I357 HydrophobicContact CB-CD1 4.25Å; F58-I357 HydrophobicContact CB-CG1 3.98Å; F58-I357 HydrophobicContact CD1-CD1 4.41Å; F58-I357 HydrophobicContact CD1-CG1 3.47Å; F58-I357 VanDerWaalsContact CD1-CG1 3.47Å; F58-I357 HydrophobicContact CD2-CG1 3.92Å; F58-I357 HydrophobicContact CE1-CG1 3.84Å; F58-I357 HydrophobicContact CE2-CG1 4.24Å; F58-I357 HydrophobicContact CG-CD1 4.32Å; F58-I357 HydrophobicContact CG-CG1 3.52Å; F58-I357 HydrophobicContact CZ-CG1 4.22Å; A89-I357 HydrophobicContact CB-CG2 4.08Å; M90-I357 HydrophobicContact CB-CD1 4.39Å; M90-I357 HydrophobicContact CE-CD1 3.87Å; F93-I357 HydrophobicContact CE2-CG2 4.17Å; F93-I357 HydrophobicContact CZ-CG2 4.42Å; F353-I357 HydrophobicContact CD1-CD1 3.81Å; F353-I357 HydrophobicContact CE1-CD1 3.48Å; F353-I357 VanDerWaalsContact CE1-CD1 3.48Å; F353-I357 HydrophobicContact CE2-CD1 4.47Å; F353-I357 HydrophobicContact CG-CD1 4.45Å; F353-I357 HydrophobicContact CZ-CD1 3.87Å; F353-I357 WeakPolarHBondContact O-CG1 3.29Å; F353-I357 PolarHBondContact O-N 3.49Å; D354-I357 WeakPolarHBondContact O-CB 3.2Å; D354-I357 PolarHBondContact O-N 3.19Å; I357-R359 VanDerWaalsContact C-N 3.28Å; I357-R359 PolarHBondContact O-N 3.45Å; I357-A360 PolarHBondContact O-N 2.96Å; I357-G361 PolarHBondContact O-N 3.3Å; I357-I373 HydrophobicContact CD1-CB 4.41Å; I357-I373 HydrophobicContact CD1-CD1 3.9Å; I357-I373 HydrophobicContact CD1-CG1 3.87Å; I357-I373 HydrophobicContact CD1-CG2 3.63Å; I357-I373 HydrophobicContact CG1-CD1 4.24Å; I357-I373 HydrophobicContact CG1-CG1 4.16Å; I357-I373 HydrophobicContact CG2-CD1 3.56Å; I357-I373 HydrophobicContact CG2-CG1 4.28Å
358	E	98.9	Very high	98.8	Very high	92 Å²	92	37.8 Å²	37.8	43%	0.43	20%	0.201	S	C	.	.	H	α-helix	trans	-56.6	-46.1	177.1	-170.9	174.2	-174.2	0	0	110.8	K75 A89 D354 D355 A360 G361 Q362	K75-E358 IonicContact NZ-OE2 3.42Å; A89-E358 HydrophobicContact CB-CB 3.74Å; A89-E358 HydrophobicContact CB-CG 4.37Å; D354-E358 PolarHBondContact O-N 2.93Å; D355-E358 PolarHBondContact O-N 3.19Å; E358-A360 PolarHBondContact O-N 3Å; E358-G361 PolarHBondContact O-N 3.41Å; E358-Q362 WeakPolarHBondContact O-CG 3.21Å; E358-Q362 PolarHBondContact O-N 3.39Å; E358-Q362 VanDerWaalsContact O-N 3.13Å
359	R	98.9	Very high	98.8	Very high	63 Å²	63	37.5 Å²	37.5	24%	0.238	20%	0.2	C	C	.	.	H	α-helix	trans	-62.6	-42.6	-179.3	-173.7	56.6	173.9	162.4	2	112.7	L308 E312 D355 A356 I357 G361 Q362 L363	L308-R359 HydrophobicContact CD1-CB 4.06Å; L308-R359 HydrophobicContact CD1-CG 4.47Å; L308-R359 HydrophobicContact CD2-CB 4.37Å; L308-R359 HydrophobicContact CD2-CG 3.94Å; L308-R359 HydrophobicContact CG-CB 3.77Å; L308-R359 HydrophobicContact CG-CG 3.89Å; E312-R359 HydrophobicContact CB-CG 4.36Å; E312-R359 IonicContact OE1-CZ 3.95Å; E312-R359 IonicContact OE1-NE 3.65Å; E312-R359 IonicContact OE1-NH2 3.47Å; E312-R359 PolarHBondContact OE1-NH2 3.07Å; E312-R359 IonicContact OE2-CZ 3.51Å; E312-R359 VanDerWaalsContact OE2-CZ 3.25Å; E312-R359 IonicContact OE2-NE 3.07Å; E312-R359 PolarHBondContact OE2-NE 2.94Å; E312-R359 IonicContact OE2-NH2 3.46Å; E312-R359 PolarHBondContact OE2-NH2 3.25Å; D355-R359 WeakPolarHBondContact O-CB 3.43Å; D355-R359 PolarHBondContact O-N 2.7Å; A356-R359 PolarHBondContact O-N 3.32Å; I357-R359 VanDerWaalsContact C-N 3.28Å; I357-R359 PolarHBondContact O-N 3.45Å; R359-G361 VanDerWaalsContact C-N 3.33Å; R359-G361 PolarHBondContact O-N 3.19Å; R359-Q362 WeakPolarHBondContact O-CB 3.32Å; R359-Q362 PolarHBondContact O-N 3.5Å; R359-L363 HydrophobicContact CG-CD1 4.08Å; R359-L363 WeakPolarHBondContact O-CG 3.2Å; R359-L363 PolarHBondContact O-N 3.01Å
360	A	98.8	Very high	98.8	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.008	20%	0.199	C	C	.	.	H	α-helix	trans	-65.6	-37	176.4	0	0	0	0	0	112.5	I56 F58 T311 L315 A356 I357 E358 Q362 L363 T364	I56-A360 HydrophobicContact CD1-CB 4.46Å; F58-A360 HydrophobicContact CE2-CB 3.8Å; F58-A360 HydrophobicContact CZ-CB 3.47Å; F58-A360 VanDerWaalsContact CZ-CB 3.47Å; T311-A360 HydrophobicContact CG2-CB 4.2Å; L315-A360 HydrophobicContact CD1-CB 3.79Å; A356-A360 PolarHBondContact O-N 3.48Å; I357-A360 PolarHBondContact O-N 2.96Å; E358-A360 PolarHBondContact O-N 3Å; A360-Q362 PolarHBondContact O-N 2.97Å; A360-L363 CarbonylContact O-C 3.51Å; A360-L363 PolarHBondContact O-N 3.22Å; A360-T364 PolarHBondContact O-N 2.85Å; A360-T364 PolarHBondContact O-OG1 3.33Å
361	G	98.6	Very high	98.8	Very high	52 Å²	52	37.8 Å²	37.8	54%	0.536	20%	0.202	S	C	.	.	H	α-helix	trans	-60.9	-30.1	173.1	0	0	0	0	0	113.4	I357 E358 R359 L363	I357-G361 PolarHBondContact O-N 3.3Å; E358-G361 PolarHBondContact O-N 3.41Å; R359-G361 VanDerWaalsContact C-N 3.33Å; R359-G361 PolarHBondContact O-N 3.19Å; G361-L363 VanDerWaalsContact C-N 3.35Å
362	Q	98.8	Very high	98.8	Very high	114 Å²	114	37.6 Å²	37.6	53%	0.533	20%	0.2	S	C	.	.	H	α-helix	trans	-75.9	-22.4	173.8	-64.4	167.1	3.5	0	0	113.3	E358 R359 A360	E358-Q362 WeakPolarHBondContact O-CG 3.21Å; E358-Q362 PolarHBondContact O-N 3.39Å; E358-Q362 VanDerWaalsContact O-N 3.13Å; R359-Q362 WeakPolarHBondContact O-CB 3.32Å; R359-Q362 PolarHBondContact O-N 3.5Å; A360-Q362 PolarHBondContact O-N 2.97Å
363	L	98.8	Very high	98.8	Very high	70 Å²	70	36.7 Å²	36.7	37%	0.366	20%	0.196	S	C	.	.	H	α-helix	trans	-105	-2.4	-172.8	-66.2	174.6	0	0	0	113.3	E312 L315 R359 A360 G361	E312-L363 HydrophobicContact CB-CD1 4.03Å; E312-L363 HydrophobicContact CG-CD1 3.85Å; L315-L363 HydrophobicContact CB-CD1 4.45Å; L315-L363 HydrophobicContact CD1-CB 3.99Å; L315-L363 HydrophobicContact CD1-CD1 3.94Å; R359-L363 HydrophobicContact CG-CD1 4.08Å; R359-L363 WeakPolarHBondContact O-CG 3.2Å; R359-L363 PolarHBondContact O-N 3.01Å; A360-L363 CarbonylContact O-C 3.51Å; A360-L363 PolarHBondContact O-N 3.22Å; G361-L363 VanDerWaalsContact C-N 3.35Å
364	T	98.7	Very high	98.8	Very high	30 Å²	30	36.7 Å²	36.7	18%	0.184	20%	0.196	C	C	.	.	S	Bend	trans	-136.6	158	-177.4	58.3	0	0	0	0	111.5	I56 L315 F325 A360 T369	I56-T364 HydrophobicContact CD1-CG2 3.99Å; L315-T364 HydrophobicContact CD2-CG2 3.99Å; F325-T364 HydrophobicContact CZ-CG2 4.09Å; A360-T364 PolarHBondContact O-N 2.85Å; A360-T364 PolarHBondContact O-OG1 3.33Å; T364-T369 HydrophobicContact CG2-CG2 4.47Å
365	S	98.5	Very high	98.8	Very high	53 Å²	53	36.8 Å²	36.8	37%	0.371	20%	0.196	S	C	.	.			trans	-100.6	129.7	177.9	-179.9	0	0	0	0	110.6	E367 D368 T369	S365-E367 PolarHBondContact O-N 3.13Å; S365-E367 VanDerWaalsContact O-N 3.16Å; S365-E367 WeakPolarHBondContact OG-CB 3.32Å; S365-E367 PolarHBondContact OG-N 3.09Å; S365-E367 VanDerWaalsContact OG-N 3.17Å; S365-D368 PolarHBondContact O-N 3.14Å; S365-D368 VanDerWaalsContact O-OD1 3.08Å; S365-T369 WeakPolarHBondContact O-CB 3.2Å; S365-T369 PolarHBondContact O-N 2.93Å; S365-T369 PolarHBondContact O-OG1 3.32Å; S365-T369 VanDerWaalsContact O-OG1 3.13Å
366	E	98.2	Very high	98.8	Very high	94 Å²	94	34.8 Å²	34.8	44%	0.439	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-9.7	171.2	64.1	177.7	-151.7	0	0	113.1	I48 D368 R461 G462 P463	I48-E366 WeakPolarHBondContact CD1-O 3.03Å; E366-D368 VanDerWaalsContact C-N 3.35Å; E366-R461 HydrophobicContact CB-CG 3.9Å; E366-R461 WeakPolarHBondContact OE2-CD 3.27Å; E366-R461 WeakPolarHBondContact OE2-CG 3.22Å; E366-R461 IonicContact OE2-CZ 2.66Å; E366-R461 IonicContact OE2-NE 3.71Å; E366-R461 IonicContact OE2-NH1 3.66Å; E366-R461 PolarHBondContact OE2-NH1 3.27Å; E366-G462 WeakPolarHBondContact O-CA 3.28Å; E366-P463 WeakPolarHBondContact O-CD 3.37Å
367	E	98.2	Very high	98.8	Very high	115 Å²	115	34.8 Å²	34.8	54%	0.537	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-24.8	175	-57.4	-167.4	165	0	0	113.3	S365 P463 A499	S365-E367 PolarHBondContact O-N 3.13Å; S365-E367 VanDerWaalsContact O-N 3.16Å; S365-E367 WeakPolarHBondContact OG-CB 3.32Å; S365-E367 PolarHBondContact OG-N 3.09Å; S365-E367 VanDerWaalsContact OG-N 3.17Å; E367-P463 WeakPolarHBondContact O-CG 3.48Å; E367-A499 HydrophobicContact CB-CB 3.78Å; E367-A499 WeakPolarHBondContact O-CB 3.16Å
368	D	98.4	Very high	98.8	Very high	26 Å²	26	34.5 Å²	34.5	14%	0.139	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.5	-4.8	-176.4	80.3	-14.3	0	0	0	114.3	A52 K53 N54 S365 E366 P498	A52-D368 CarbonylContact C-O 3.58Å; K53-D368 WeakPolarHBondContact CA-O 3.27Å; K53-D368 HydrophobicContact CB-CB 4.02Å; K53-D368 WeakPolarHBondContact CB-O 3.33Å; K53-D368 WeakPolarHBondContact CD-OD2 3.43Å; K53-D368 PolarHBondContact N-O 2.94Å; N54-D368 PolarHBondContact N-O 2.83Å; N54-D368 PolarHBondContact ND2-OD1 2.89Å; S365-D368 PolarHBondContact O-N 3.14Å; S365-D368 VanDerWaalsContact O-OD1 3.08Å; E366-D368 VanDerWaalsContact C-N 3.35Å; D368-P498 HydrophobicContact CB-CB 4.29Å
369	T	98.9	Very high	98.8	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	118.1	-177	-54.9	0	0	0	0	110.4	N54 I56 T364 S365 G462 P463	N54-T369 HydrophobicContact CB-CG2 3.84Å; N54-T369 PolarHBondContact ND2-OG1 3.49Å; N54-T369 WeakPolarHBondContact O-CA 3.35Å; I56-T369 HydrophobicContact CD1-CG2 3.92Å; I56-T369 HydrophobicContact CG1-CG2 3.99Å; T364-T369 HydrophobicContact CG2-CG2 4.47Å; S365-T369 WeakPolarHBondContact O-CB 3.2Å; S365-T369 PolarHBondContact O-N 2.93Å; S365-T369 PolarHBondContact O-OG1 3.32Å; S365-T369 VanDerWaalsContact O-OG1 3.13Å; T369-G462 WeakPolarHBondContact O-CA 3.34Å; T369-P463 WeakPolarHBondContact O-CD 3.43Å
370	L	98.9	Very high	98.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	117.3	166.3	170.9	62.5	0	0	0	108.4	A52 N54 L55 I56 L372 R461 A465 M481 A484	A52-L370 HydrophobicContact CB-CB 3.83Å; N54-L370 PolarHBondContact O-N 3.3Å; L55-L370 WeakPolarHBondContact CA-O 3.43Å; L55-L370 HydrophobicContact CD2-CB 3.96Å; L55-L370 HydrophobicContact CD2-CD2 4.05Å; L55-L370 HydrophobicContact CD2-CG 4.38Å; I56-L370 PolarHBondContact N-O 3.04Å; L370-L372 HydrophobicContact CD1-CD2 3.82Å; L370-L372 HydrophobicContact CD1-CG 4.41Å; L370-L372 HydrophobicContact CG-CD2 4.35Å; L370-L372 HydrophobicContact CG-CG 4.42Å; L370-R461 WeakPolarHBondContact CA-O 3.16Å; L370-R461 WeakPolarHBondContact CD1-O 3.4Å; L370-A465 HydrophobicContact CD1-CB 3.89Å; L370-M481 HydrophobicContact CD2-CG 4.32Å; L370-A484 HydrophobicContact CD2-CB 3.41Å; L370-A484 VanDerWaalsContact CD2-CB 3.41Å
371	T	98.9	Very high	98.8	Very high	12 Å²	12	29.7 Å²	29.7	7%	0.074	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	125.9	173.7	-56.7	0	0	0	0	109.3	I56 F58 F93 A460 R461	I56-T371 HydrophobicContact CB-CG2 4.21Å; I56-T371 HydrophobicContact CG2-CG2 4.47Å; I56-T371 CarbonylContact O-C 3.59Å; I56-T371 WeakPolarHBondContact O-CA 3.32Å; F58-T371 HydrophobicContact CD2-CG2 3.8Å; F58-T371 HydrophobicContact CE2-CG2 3.99Å; F93-T371 HydrophobicContact CE1-CG2 3.8Å; F93-T371 WeakPolarHBondContact CE1-O 3.44Å; F93-T371 HydrophobicContact CZ-CG2 3.79Å; T371-A460 WeakPolarHBondContact O-CA 3.11Å; T371-R461 PolarHBondContact N-O 2.88Å; T371-R461 PolarHBondContact O-N 3.24Å
372	L	98.9	Very high	98.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	142.6	170.2	-59.5	-170.5	0	0	0	110	I56 L57 F58 L370 F459 A460 V468 V477 V480 M481	I56-L372 PolarHBondContact O-N 2.94Å; L57-L372 HydrophobicContact CD1-CB 3.81Å; F58-L372 PolarHBondContact N-O 3.49Å; L370-L372 HydrophobicContact CD1-CD2 3.82Å; L370-L372 HydrophobicContact CD1-CG 4.41Å; L370-L372 HydrophobicContact CG-CD2 4.35Å; L370-L372 HydrophobicContact CG-CG 4.42Å; L372-F459 CarbonylContact C-O 3.55Å; L372-F459 VanDerWaalsContact CA-O 3.31Å; L372-F459 WeakPolarHBondContact CA-O 3.32Å; L372-A460 HydrophobicContact CD2-CB 3.3Å; L372-V468 HydrophobicContact CD2-CG2 4Å; L372-V477 HydrophobicContact CD1-CG1 3.87Å; L372-V480 HydrophobicContact CD1-CG1 3.77Å; L372-M481 HydrophobicContact CD1-CG 3.46Å; L372-M481 VanDerWaalsContact CD1-CG 3.46Å; L372-M481 HydrophobicContact CD1-SD 3.87Å; L372-M481 HydrophobicContact CG-CG 4.15Å; L372-M481 HydrophobicContact CG-SD 4.42Å
373	I	98.9	Very high	98.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	128.7	171.5	-54.1	151.6	0	0	0	106.8	F58 M90 F93 F353 I357 V458 F459	F58-I373 HydrophobicContact CB-CB 4.29Å; F58-I373 HydrophobicContact CB-CG1 3.92Å; F58-I373 HydrophobicContact CB-CG2 4.23Å; F58-I373 HydrophobicContact CD2-CG1 4.37Å; F58-I373 HydrophobicContact CG-CG1 4.47Å; F58-I373 WeakPolarHBondContact O-CA 3.27Å; M90-I373 HydrophobicContact CB-CD1 3.64Å; M90-I373 HydrophobicContact CB-CG2 4.3Å; F93-I373 HydrophobicContact CD1-CD1 3.91Å; F93-I373 HydrophobicContact CD2-CD1 3.88Å; F93-I373 HydrophobicContact CE1-CD1 3.62Å; F93-I373 HydrophobicContact CE1-CG1 4.2Å; F93-I373 HydrophobicContact CE2-CD1 3.59Å; F93-I373 HydrophobicContact CG-CD1 4.08Å; F93-I373 HydrophobicContact CZ-CD1 3.47Å; F93-I373 VanDerWaalsContact CZ-CD1 3.47Å; F93-I373 HydrophobicContact CZ-CG1 4.3Å; F353-I373 HydrophobicContact CE1-CG2 3.95Å; F353-I373 HydrophobicContact CZ-CG2 4.13Å; I357-I373 HydrophobicContact CD1-CB 4.41Å; I357-I373 HydrophobicContact CD1-CD1 3.9Å; I357-I373 HydrophobicContact CD1-CG1 3.87Å; I357-I373 HydrophobicContact CD1-CG2 3.63Å; I357-I373 HydrophobicContact CG1-CD1 4.24Å; I357-I373 HydrophobicContact CG1-CG1 4.16Å; I357-I373 HydrophobicContact CG2-CD1 3.56Å; I357-I373 HydrophobicContact CG2-CG1 4.28Å; I373-V458 CarbonylContact O-C 3.14Å; I373-V458 WeakPolarHBondContact O-CA 3.34Å; I373-F459 HydrophobicContact CB-CB 4.17Å; I373-F459 HydrophobicContact CB-CD2 4.18Å; I373-F459 HydrophobicContact CD1-CB 4.34Å; I373-F459 HydrophobicContact CG2-CD2 4.28Å; I373-F459 PolarHBondContact N-O 3.4Å; I373-F459 PolarHBondContact O-N 2.91Å
374	T	98.9	Very high	98.7	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.006	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	172.1	177.1	-171.8	0	0	0	0	110.2	L57 F58 L59 G60 A457	L57-T374 HydrophobicContact CD1-CG2 3.99Å; F58-T374 PolarHBondContact O-N 3.46Å; L59-T374 WeakPolarHBondContact CA-O 3.35Å; L59-T374 HydrophobicContact CD2-CG2 3.64Å; G60-T374 PolarHBondContact N-O 2.86Å; T374-A457 WeakPolarHBondContact CA-O 3.37Å; T374-A457 PolarHBondContact OG1-O 3.35Å
375	A	98.9	Very high	98.7	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.008	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	164.3	157.6	0	0	0	0	0	110.4	G60 M63 H377 V456	G60-A375 VanDerWaalsContact O-CA 3.31Å; G60-A375 WeakPolarHBondContact O-CA 3.22Å; G60-A375 WeakPolarHBondContact O-CB 3.45Å; M63-A375 HydrophobicContact CB-CB 4.15Å; M63-A375 WeakPolarHBondContact O-CB 3.37Å; A375-H377 WeakPolarHBondContact CB-O 3.45Å; A375-V456 HydrophobicContact CB-CB 4.02Å; A375-V456 HydrophobicContact CB-CG1 4.04Å; A375-V456 HydrophobicContact CB-CG2 4.24Å; A375-V456 WeakPolarHBondContact O-CG2 3.42Å
376	D	98.9	Very high	98.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.172	C	C	.	.	S	Bend	trans	-87	-37	172	68.5	-35.4	0	0	0	111.6	L59 D61 G62 T101 S111 T114 Y118 Q474	L59-D376 HydrophobicContact CD1-CB 4.07Å; L59-D376 HydrophobicContact CD2-CB 4.15Å; D61-D376 WeakPolarHBondContact CA-OD1 3.25Å; G62-D376 PolarHBondContact N-OD1 3.41Å; T101-D376 WeakPolarHBondContact CG2-O 3.4Å; S111-D376 VanDerWaalsContact CA-OD2 3.29Å; S111-D376 WeakPolarHBondContact CA-OD2 3.43Å; S111-D376 VanDerWaalsContact CB-OD2 3.31Å; S111-D376 WeakPolarHBondContact CB-OD2 3.45Å; T114-D376 VanDerWaalsContact CG2-O 3.26Å; T114-D376 WeakPolarHBondContact CG2-O 3.45Å; Y118-D376 HydrophobicContact CD1-CB 4.24Å; Y118-D376 HydrophobicContact CE1-CB 3.55Å; D376-Q474 PolarHBondContact O-NE2 3.08Å
377	H	98.9	Very high	98.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.165	C	C	.	.			trans	-155.1	-175.2	169.9	52.2	69.2	0	0	0	111	D61 G62 P109 D335 A375 H451	D61-H377 IonicContact OD1-CE1 3.78Å; D61-H377 IonicContact OD1-NE2 3.74Å; G62-H377 CarbonylContact C-O 3.37Å; G62-H377 VanDerWaalsContact C-O 3.22Å; G62-H377 VanDerWaalsContact CA-O 3.3Å; G62-H377 WeakPolarHBondContact CA-O 3.46Å; P109-H377 HydrophobicContact CG-CB 3.71Å; D335-H377 IonicContact OD1-CE1 2.77Å; D335-H377 PolarHBondContact OD1-CE1 3.11Å; A375-H377 WeakPolarHBondContact CB-O 3.45Å; H377-H451 AromaticContact CD2-CE1 3.89Å; H377-H451 AromaticContact CD2-ND1 3.64Å; H377-H451 AromaticContact CE1-CD2 3.16Å; H377-H451 PolarHBondContact CE1-CD2 2.84Å; H377-H451 AromaticContact CE1-CE1 3.31Å; H377-H451 PolarHBondContact CE1-CE1 2.87Å; H377-H451 AromaticContact CE1-CG 3.31Å; H377-H451 AromaticContact CE1-ND1 3.4Å; H377-H451 PolarHBondContact CE1-ND1 3.38Å; H377-H451 AromaticContact CE1-NE2 3.25Å; H377-H451 PolarHBondContact CE1-NE2 3.5Å; H377-H451 VanDerWaalsContact CE1-NE2 3.25Å; H377-H451 AromaticContact CG-CG 3.96Å; H377-H451 AromaticContact CG-ND1 3.93Å; H377-H451 AromaticContact ND1-CD2 3.64Å; H377-H451 AromaticContact ND1-CG 3.44Å; H377-H451 AromaticContact ND1-ND1 3.77Å; H377-H451 AromaticContact NE2-CD2 3.76Å; H377-H451 AromaticContact NE2-CE1 3.04Å; H377-H451 PolarHBondContact NE2-CE1 3.24Å; H377-H451 AromaticContact NE2-CG 3.67Å; H377-H451 AromaticContact NE2-ND1 3.23Å; H377-H451 PolarHBondContact NE2-ND1 2.97Å; H377-H451 AromaticContact NE2-NE2 3.46Å; H377-H451 PolarHBondContact NE2-NE2 2.91Å
378	S	98.9	Very high	98.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	-158.9	170.8	-162.1	0	0	0	0	111.3	G64 H451 G452 E454	G64-S378 VanDerWaalsContact CA-OG 3.28Å; G64-S378 WeakPolarHBondContact CA-OG 3.27Å; S378-H451 CarbonylContact O-C 3.53Å; S378-H451 WeakPolarHBondContact O-CA 3.15Å; S378-G452 PolarHBondContact N-O 3.42Å; S378-G452 PolarHBondContact O-N 3.45Å; S378-E454 WeakPolarHBondContact CB-OE1 3.37Å; S378-E454 PolarHBondContact OG-OE1 3.48Å
379	H	98.9	Very high	98.5	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.009	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	165.7	176.1	-81.5	-84.6	0	0	0	109.2	G62 D335 H338 H339 F381 E449 H451	G62-H379 WeakPolarHBondContact CA-NE2 3.48Å; G62-H379 PolarHBondContact O-CD2 2.81Å; G62-H379 VanDerWaalsContact O-CD2 3.3Å; D335-H379 WeakPolarHBondContact CA-NE2 3.42Å; D335-H379 IonicContact OD1-CE1 3.14Å; D335-H379 PolarHBondContact OD1-CE1 2.96Å; D335-H379 IonicContact OD1-NE2 3.39Å; D335-H379 PolarHBondContact OD1-NE2 3.16Å; H338-H379 HydrophobicContact CB-CB 4.13Å; H338-H379 VanDerWaalsContact CB-CE1 3.44Å; H338-H379 WeakPolarHBondContact CB-CE1 3.33Å; H338-H379 VanDerWaalsContact CB-CG 3.41Å; H338-H379 WeakPolarHBondContact CB-ND1 3.36Å; H338-H379 AromaticContact CD2-CD2 3.34Å; H338-H379 PolarHBondContact CD2-CD2 2.73Å; H338-H379 AromaticContact CD2-CG 3.84Å; H338-H379 AromaticContact CD2-NE2 3.86Å; H338-H379 AromaticContact CG-CD2 3.66Å; H338-H379 AromaticContact CG-CG 3.72Å; H339-H379 AromaticContact ND1-CE1 3.91Å; H379-F381 HydrophobicContact CB-CB 4.01Å; H379-F381 PolarHBondContact O-N 3.33Å; H379-E449 WeakPolarHBondContact CB-OE1 3.43Å; H379-E449 IonicContact CE1-OE2 2.73Å; H379-E449 IonicContact CG-OE1 3.32Å; H379-E449 IonicContact CG-OE2 2.89Å; H379-E449 IonicContact ND1-OE1 3.64Å; H379-E449 IonicContact ND1-OE2 3.63Å; H379-E449 PolarHBondContact ND1-OE2 3.09Å; H379-H451 AromaticContact CE1-CD2 3.78Å
380	V	98.9	Very high	98.4	Very high	46 Å²	46	33.6 Å²	33.6	28%	0.279	18%	0.179	S	C	.	.	S	Bend	trans	-79.1	35.8	169.5	-62.1	0	0	0	0	111.5	Y412 G413 E449 T450	V380-Y412 CarbonylContact O-C 3.58Å; V380-Y412 WeakPolarHBondContact O-CA 3.5Å; V380-G413 PolarHBondContact O-N 2.98Å; V380-E449 HydrophobicContact CG2-CG 3.79Å; V380-E449 WeakPolarHBondContact CG2-OE1 3.47Å; V380-E449 PolarHBondContact N-OE1 3.26Å; V380-T450 PolarHBondContact N-O 3.43Å
381	F	98.9	Very high	98.3	Very high	7 Å²	7	35.5 Å²	35.5	3%	0.031	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	136.4	177.7	167.8	-101.7	0	0	0	110.6	P66 A70 H338 A343 L347 H379 I410 Y412	P66-F381 HydrophobicContact CB-CD1 3.75Å; P66-F381 HydrophobicContact CB-CE1 4.02Å; A70-F381 HydrophobicContact CB-CE1 3.86Å; A70-F381 HydrophobicContact CB-CZ 3.69Å; H338-F381 AromaticContact CE1-CD1 3.99Å; H338-F381 AromaticContact CE1-CD2 3.76Å; H338-F381 AromaticContact CE1-CG 3.63Å; H338-F381 AromaticContact ND1-CD2 3.99Å; A343-F381 HydrophobicContact CB-CE2 3.94Å; L347-F381 HydrophobicContact CD2-CZ 4.34Å; H379-F381 HydrophobicContact CB-CB 4.01Å; H379-F381 PolarHBondContact O-N 3.33Å; F381-I410 HydrophobicContact CD2-CG2 3.84Å; F381-I410 HydrophobicContact CE2-CB 4.25Å; F381-I410 HydrophobicContact CE2-CD1 4.1Å; F381-I410 HydrophobicContact CE2-CG1 3.94Å; F381-I410 HydrophobicContact CE2-CG2 3.33Å; F381-I410 HydrophobicContact CZ-CD1 4.3Å; F381-I410 HydrophobicContact CZ-CG1 4.13Å; F381-I410 HydrophobicContact CZ-CG2 4.3Å; F381-Y412 HydrophobicContact CB-CD1 3.98Å; F381-Y412 HydrophobicContact CB-CE1 3.65Å; F381-Y412 HydrophobicContact CD2-CD1 4.5Å; F381-Y412 AromaticContact CD2-CE1 3.85Å; F381-Y412 HydrophobicContact CD2-CE1 3.85Å; F381-Y412 HydrophobicContact CD2-CE2 4.3Å; F381-Y412 AromaticContact CD2-CZ 3.73Å; F381-Y412 HydrophobicContact CG-CE1 4.22Å
382	S	98.9	Very high	98.3	Very high	55 Å²	55	37.4 Å²	37.4	39%	0.385	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	153.1	177.4	64.9	0	0	0	0	111	I410 L411	S382-I410 VanDerWaalsContact O-CA 3.27Å; S382-I410 WeakPolarHBondContact O-CA 3.41Å; S382-L411 PolarHBondContact N-O 2.77Å; S382-L411 PolarHBondContact O-N 3.14Å; S382-L411 PolarHBondContact OG-O 2.66Å
383	F	98	Very high	98.2	Very high	77 Å²	77	37.7 Å²	37.7	34%	0.338	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	135.8	166.8	74.6	-82.4	0	0	0	109.1	T69 I73 I393 S409 I410	T69-F383 HydrophobicContact CG2-CE1 3.94Å; T69-F383 HydrophobicContact CG2-CE2 4.41Å; T69-F383 HydrophobicContact CG2-CZ 3.52Å; I73-F383 HydrophobicContact CD1-CE2 4.4Å; F383-I393 HydrophobicContact CB-CD1 4.41Å; F383-I393 HydrophobicContact CD2-CD1 4.37Å; F383-I393 HydrophobicContact CG-CD1 4.5Å; F383-S409 CarbonylContact C-O 3.58Å; F383-S409 WeakPolarHBondContact CA-O 3.27Å; F383-I410 HydrophobicContact CB-CG1 4.24Å
384	G	98.3	Very high	98.2	Very high	33 Å²	33	38.1 Å²	38.1	34%	0.34	21%	0.209	S	C	.	.			trans	-161.7	-148.3	-171.6	0	0	0	0	0	113.8	Y386 S409	G384-Y386 PolarHBondContact O-N 2.9Å; G384-S409 PolarHBondContact N-O 3.42Å; G384-S409 PolarHBondContact N-OG 2.9Å; G384-S409 PolarHBondContact O-OG 2.76Å
385	G	97.6	Very high	98.2	Very high	16 Å²	16	38.2 Å²	38.2	17%	0.165	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.9	11.8	172.2	0	0	0	0	0	116.2	T387 P398 Y407	G385-T387 VanDerWaalsContact C-N 3.34Å; G385-T387 PolarHBondContact O-N 3.38Å; G385-P398 VanDerWaalsContact O-CD 3.25Å; G385-P398 WeakPolarHBondContact O-CD 3.42Å; G385-Y407 WeakPolarHBondContact CA-OH 3.25Å
386	Y	97.8	Very high	98.1	Very high	220 Å²	220	39.7 Å²	39.7	86%	0.863	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.2	41.3	177.1	-49.3	-78.9	0	0	0	113.8	G384	G384-Y386 PolarHBondContact O-N 2.9Å
387	T	97.6	Very high	98.1	Very high	47 Å²	47	40 Å²	40	29%	0.288	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-61.9	147.1	177.3	50.6	0	0	0	0	112.5	G385 S391	G385-T387 VanDerWaalsContact C-N 3.34Å; G385-T387 PolarHBondContact O-N 3.38Å; T387-S391 WeakPolarHBondContact CB-OG 3.38Å
388	F	97.2	Very high	98	Very high	91 Å²	91	43 Å²	43	40%	0.399	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-68.7	152.5	-179.9	-67	-61.3	0	0	0	112.9	S17 G390 S391 P398	S17-F388 WeakPolarHBondContact O-CD2 3.43Å; S17-F388 WeakPolarHBondContact O-CE2 3.32Å; F388-G390 PolarHBondContact O-N 3.23Å; F388-S391 WeakPolarHBondContact O-CB 3.23Å; F388-S391 PolarHBondContact O-N 3.31Å; F388-S391 VanDerWaalsContact O-N 3.15Å; F388-S391 PolarHBondContact O-OG 3.31Å; F388-P398 HydrophobicContact CD2-CB 4.4Å; F388-P398 HydrophobicContact CE2-CB 3.73Å; F388-P398 HydrophobicContact CE2-CG 4.43Å; F388-P398 HydrophobicContact CZ-CB 4.17Å
389	R	97.3	Very high	97.9	Very high	68 Å²	68	46.9 Å²	46.9	26%	0.257	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	130.9	172	-174.2	69.9	170.2	-71.1	-5.1	110.2	I20 E25 L82 P84 E85 S391	I20-R389 PolarHBondContact N-O 2.73Å; I20-R389 WeakPolarHBondContact O-CB 3.33Å; E25-R389 IonicContact OE1-CZ 3.18Å; E25-R389 IonicContact OE1-NH1 2.74Å; E25-R389 PolarHBondContact OE1-NH1 3.17Å; E25-R389 IonicContact OE1-NH2 3.38Å; E25-R389 PolarHBondContact OE1-NH2 2.96Å; E25-R389 IonicContact OE2-CZ 2.84Å; E25-R389 IonicContact OE2-NH1 3.61Å; E25-R389 PolarHBondContact OE2-NH1 2.7Å; E25-R389 IonicContact OE2-NH2 3.49Å; L82-R389 HydrophobicContact CB-CG 4.26Å; L82-R389 HydrophobicContact CD1-CG 3.95Å; P84-R389 VanDerWaalsContact CG-NE 3.31Å; E85-R389 IonicContact OE2-CZ 3.54Å; E85-R389 IonicContact OE2-NE 3.46Å; E85-R389 PolarHBondContact OE2-NE 2.69Å; E85-R389 IonicContact OE2-NH2 3.55Å; E85-R389 PolarHBondContact OE2-NH2 2.82Å; R389-S391 VanDerWaalsContact C-N 3.35Å
390	G	96.4	Very high	97.9	Very high	30 Å²	30	52.4 Å²	52.4	31%	0.309	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	85	-4.3	-178.2	0	0	0	0	0	115.3	L82 F388	L82-G390 WeakPolarHBondContact O-CA 3.09Å; F388-G390 PolarHBondContact O-N 3.23Å
391	S	97.2	Very high	97.8	Very high	40 Å²	40	51.8 Å²	51.8	28%	0.28	29%	0.29	S	S	.	.			trans	-71.8	146.7	174.4	66.3	0	0	0	0	111.2	Q77 T387 F388 R389 I393	Q77-S391 PolarHBondContact NE2-O 2.88Å; T387-S391 WeakPolarHBondContact CB-OG 3.38Å; F388-S391 WeakPolarHBondContact O-CB 3.23Å; F388-S391 PolarHBondContact O-N 3.31Å; F388-S391 VanDerWaalsContact O-N 3.15Å; F388-S391 PolarHBondContact O-OG 3.31Å; R389-S391 VanDerWaalsContact C-N 3.35Å; S391-I393 PolarHBondContact O-N 3.2Å
392	S	98.1	Very high	97.8	Very high	52 Å²	52	61.3 Å²	61.3	36%	0.364	34%	0.335	S	S	.	.			trans	-49.1	135.3	173.2	178.3	0	0	0	0	111.3	F394 G395	S392-F394 PolarHBondContact O-N 3.03Å; S392-F394 PolarHBondContact OG-N 3.5Å; S392-G395 PolarHBondContact O-N 3.13Å
393	I	98.5	Very high	97.8	Very high	6 Å²	6	61.5 Å²	61.5	3%	0.031	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-24.1	174.6	-164.2	57.6	0	0	0	112.3	A70 I73 L74 L347 F383 S391 G395 I410	A70-I393 HydrophobicContact CB-CD1 4.24Å; A70-I393 HydrophobicContact CB-CG1 3.99Å; I73-I393 HydrophobicContact CB-CD1 4.33Å; I73-I393 HydrophobicContact CD1-CD1 3.85Å; I73-I393 HydrophobicContact CG2-CB 4.1Å; I73-I393 HydrophobicContact CG2-CD1 4.21Å; I73-I393 HydrophobicContact CG2-CG1 4.48Å; L74-I393 HydrophobicContact CB-CG2 4.21Å; L74-I393 HydrophobicContact CD1-CG2 4.3Å; L347-I393 HydrophobicContact CD1-CG1 4.26Å; L347-I393 HydrophobicContact CD1-CG2 4.08Å; F383-I393 HydrophobicContact CB-CD1 4.41Å; F383-I393 HydrophobicContact CD2-CD1 4.37Å; F383-I393 HydrophobicContact CG-CD1 4.5Å; S391-I393 PolarHBondContact O-N 3.2Å; I393-G395 VanDerWaalsContact C-N 3.31Å; I393-I410 HydrophobicContact CG1-CD1 4.13Å; I393-I410 VanDerWaalsContact O-CD1 3.28Å; I393-I410 WeakPolarHBondContact O-CD1 3.49Å; I393-I410 WeakPolarHBondContact O-CG1 3.23Å
394	F	98.6	Very high	97.8	Very high	9 Å²	9	62.4 Å²	62.4	4%	0.039	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	2.2	175.8	-49.5	-63.6	0	0	0	113.3	L74 Y344 L347 S392 I410 S433	L74-F394 HydrophobicContact CD1-CE2 3.66Å; L74-F394 HydrophobicContact CD1-CZ 4.09Å; L74-F394 HydrophobicContact CD2-CE2 4.33Å; L74-F394 HydrophobicContact CD2-CZ 3.93Å; Y344-F394 VanDerWaalsContact CA-CE1 3.45Å; Y344-F394 HydrophobicContact CD2-CD1 4.36Å; Y344-F394 AromaticContact CD2-CD2 3.75Å; Y344-F394 HydrophobicContact CD2-CD2 3.75Å; Y344-F394 HydrophobicContact CD2-CE1 4.05Å; Y344-F394 AromaticContact CD2-CE2 3.36Å; Y344-F394 HydrophobicContact CD2-CE2 3.36Å; Y344-F394 HydrophobicContact CD2-CG 4.23Å; Y344-F394 AromaticContact CD2-CZ 3.53Å; Y344-F394 HydrophobicContact CD2-CZ 3.53Å; Y344-F394 HydrophobicContact CE2-CD2 4.1Å; Y344-F394 AromaticContact CE2-CE2 3.66Å; Y344-F394 HydrophobicContact CE2-CE2 3.66Å; Y344-F394 HydrophobicContact CE2-CZ 4.2Å; Y344-F394 HydrophobicContact CG-CE1 4.35Å; Y344-F394 HydrophobicContact CG-CE2 4.27Å; Y344-F394 HydrophobicContact CG-CZ 4Å; L347-F394 HydrophobicContact CB-CZ 4.44Å; L347-F394 HydrophobicContact CD1-CE1 3.84Å; L347-F394 HydrophobicContact CD1-CZ 4.21Å; S392-F394 PolarHBondContact O-N 3.03Å; S392-F394 PolarHBondContact OG-N 3.5Å; F394-I410 HydrophobicContact CD1-CD1 3.89Å; F394-I410 HydrophobicContact CE1-CD1 4.25Å; F394-S433 VanDerWaalsContact O-CB 3.26Å; F394-S433 WeakPolarHBondContact O-CB 3.4Å; F394-S433 PolarHBondContact O-OG 2.89Å
395	G	97.7	Very high	97.8	Very high	2 Å²	2	62.9 Å²	62.9	2%	0.021	34%	0.34	C	S	.	.	S	Bend	trans	-77.5	178.2	-174.1	0	0	0	0	0	114.2	S392 I393 S409 E430	S392-G395 PolarHBondContact O-N 3.13Å; I393-G395 VanDerWaalsContact C-N 3.31Å; G395-S409 PolarHBondContact O-N 3.11Å; G395-E430 VanDerWaalsContact CA-OE2 3.26Å; G395-E430 WeakPolarHBondContact CA-OE2 3.48Å
396	L	98.5	Very high	97.8	Very high	32 Å²	32	62.3 Å²	62.3	17%	0.168	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-83.5	150.4	177.9	-54.5	178	0	0	0	111.7	A406 Y407 T408 V428 E430	L396-A406 HydrophobicContact CD1-CB 3.98Å; L396-A406 HydrophobicContact CD2-CB 4.43Å; L396-Y407 WeakPolarHBondContact CA-O 3.4Å; L396-T408 HydrophobicContact CD2-CG2 3.97Å; L396-V428 HydrophobicContact CD2-CG1 3.76Å; L396-V428 HydrophobicContact CD2-CG2 4.36Å; L396-E430 VanDerWaalsContact CB-OE1 3.32Å; L396-E430 WeakPolarHBondContact CB-OE1 3.39Å; L396-E430 HydrophobicContact CD1-CG 3.99Å; L396-E430 HydrophobicContact CG-CG 4.14Å; L396-E430 WeakPolarHBondContact CG-OE1 3.45Å; L396-E430 PolarHBondContact N-OE1 3.33Å
397	A	97.9	Very high	97.9	Very high	7 Å²	7	54.4 Å²	54.4	6%	0.058	30%	0.303	C	S	.	.			trans	-63.9	144.6	162.5	0	0	0	0	0	110	S399 Y407	A397-S399 PolarHBondContact O-N 3.43Å; A397-Y407 HydrophobicContact CB-CD1 4.06Å; A397-Y407 HydrophobicContact CB-CD2 4Å; A397-Y407 HydrophobicContact CB-CE1 3.51Å; A397-Y407 HydrophobicContact CB-CE2 3.44Å; A397-Y407 VanDerWaalsContact CB-CE2 3.44Å; A397-Y407 HydrophobicContact CB-CG 4.29Å; A397-Y407 WeakPolarHBondContact CB-OH 3.45Å; A397-Y407 PolarHBondContact N-O 2.92Å
398	P	96.8	Very high	97.9	Very high	63 Å²	63	52.2 Å²	52.2	41%	0.409	29%	0.29	S	S	.	.	S	Bend	trans	-68.2	-20.3	-172.7	26.7	-35	0	0	0	114	G385 F388	G385-P398 VanDerWaalsContact O-CD 3.25Å; G385-P398 WeakPolarHBondContact O-CD 3.42Å; F388-P398 HydrophobicContact CD2-CB 4.4Å; F388-P398 HydrophobicContact CE2-CB 3.73Å; F388-P398 HydrophobicContact CE2-CG 4.43Å; F388-P398 HydrophobicContact CZ-CB 4.17Å
399	S	96.8	Very high	98	Very high	81 Å²	81	48.1 Å²	48.1	57%	0.566	27%	0.272	S	S	*	.	S	Bend	trans	-110.2	147.6	179.2	-64.5	0	0	0	0	111.5	A397 Y407	A397-S399 PolarHBondContact O-N 3.43Å; S399-Y407 WeakPolarHBondContact O-CE1 3.06Å
400	K	98.1	Very high	98.1	Very high	118 Å²	118	44.9 Å²	44.9	51%	0.513	26%	0.26	S	S	.	.			trans	-67.5	149.2	171	-65.5	-70.5	-175.6	170.2	0	110.5	A406 D427	K400-A406 HydrophobicContact CD-CB 4.16Å; K400-A406 VanDerWaalsContact CD-N 3.29Å; K400-D427 IonicContact NZ-OD1 3.6Å; K400-D427 IonicContact NZ-OD2 2.76Å; K400-D427 PolarHBondContact NZ-OD2 2.65Å
401	A	98.4	Very high	98.2	Very high	33 Å²	33	46 Å²	46	27%	0.273	26%	0.258	S	S	.	.			trans	-72.3	175.6	172.8	0	0	0	0	0	111.4	D403 S404 K405 Y407	A401-D403 PolarHBondContact O-N 2.8Å; A401-D403 VanDerWaalsContact O-N 3.14Å; A401-S404 PolarHBondContact O-N 3.01Å; A401-K405 PolarHBondContact N-O 2.98Å; A401-Y407 HydrophobicContact CB-CD1 3.93Å; A401-Y407 HydrophobicContact CB-CE1 4.43Å
402	Q	98.5	Very high	98.3	Very high	208 Å²	208	44.4 Å²	44.4	97%	0.972	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-23.9	-178.8	-68.4	-177.6	-2	0	0	114	S404	Q402-S404 PolarHBondContact O-N 3.1Å
403	D	97.9	Very high	98.3	Very high	59 Å²	59	43.6 Å²	43.6	32%	0.316	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	14.5	175.5	73.1	-21	0	0	0	113.4	A401 K405 R425	A401-D403 PolarHBondContact O-N 2.8Å; A401-D403 VanDerWaalsContact O-N 3.14Å; D403-K405 PolarHBondContact O-N 2.95Å; D403-K405 PolarHBondContact OD1-N 3.29Å; D403-K405 IonicContact OD2-NZ 2.76Å; D403-K405 PolarHBondContact OD2-NZ 3.35Å; D403-R425 IonicContact OD1-CZ 3.3Å; D403-R425 IonicContact OD1-NE 3.64Å; D403-R425 IonicContact OD1-NH2 3.51Å; D403-R425 PolarHBondContact OD1-NH2 2.71Å; D403-R425 IonicContact OD2-CZ 3.63Å; D403-R425 IonicContact OD2-NE 3.59Å; D403-R425 PolarHBondContact OD2-NE 2.64Å; D403-R425 IonicContact OD2-NH2 2.82Å; D403-R425 PolarHBondContact OD2-NH2 2.95Å
404	S	98.2	Very high	98.3	Very high	95 Å²	95	44.5 Å²	44.5	66%	0.664	25%	0.251	S	S	*	.	S	Bend	trans	62.9	16.9	179.8	-58.7	0	0	0	0	115.3	A401 Q402	A401-S404 PolarHBondContact O-N 3.01Å; Q402-S404 PolarHBondContact O-N 3.1Å
405	K	98.5	Very high	98.3	Very high	43 Å²	43	44.1 Å²	44.1	19%	0.187	25%	0.25	C	C	.	.			trans	-110.3	154.7	177.1	-65.4	179.4	-143.5	113.4	0	111	A401 D403 R425 D427	A401-K405 PolarHBondContact N-O 2.98Å; D403-K405 PolarHBondContact O-N 2.95Å; D403-K405 PolarHBondContact OD1-N 3.29Å; D403-K405 IonicContact OD2-NZ 2.76Å; D403-K405 PolarHBondContact OD2-NZ 3.35Å; K405-R425 WeakPolarHBondContact CD-O 3.34Å; K405-R425 WeakPolarHBondContact CE-O 3.36Å; K405-R425 PolarHBondContact NZ-O 2.94Å; K405-R425 PolarHBondContact O-NH2 2.99Å; K405-D427 HydrophobicContact CB-CB 4.01Å; K405-D427 HydrophobicContact CD-CB 3.96Å; K405-D427 HydrophobicContact CG-CB 3.9Å
406	A	98.6	Very high	98.4	Very high	5 Å²	5	45.9 Å²	45.9	4%	0.041	26%	0.261	C	S	.	.			trans	-68.2	163.9	175.1	0	0	0	0	0	110.8	L396 K400 R425 D427 V428	L396-A406 HydrophobicContact CD1-CB 3.98Å; L396-A406 HydrophobicContact CD2-CB 4.43Å; K400-A406 HydrophobicContact CD-CB 4.16Å; K400-A406 VanDerWaalsContact CD-N 3.29Å; A406-R425 PolarHBondContact O-NH1 2.77Å; A406-R425 PolarHBondContact O-NH2 3.22Å; A406-D427 WeakPolarHBondContact CA-OD1 3.47Å; A406-D427 WeakPolarHBondContact CB-OD1 3.4Å; A406-D427 PolarHBondContact N-OD1 3.02Å; A406-V428 HydrophobicContact CB-CG1 4.36Å; A406-V428 WeakPolarHBondContact CB-O 3.36Å
407	Y	98.7	Very high	98.4	Very high	54 Å²	54	44.6 Å²	44.6	21%	0.212	26%	0.255	C	S	.	.			trans	-148.3	152.7	172.7	69.2	-77.6	0	0	0	108.7	G385 L396 A397 S399 A401 L411	G385-Y407 WeakPolarHBondContact CA-OH 3.25Å; L396-Y407 WeakPolarHBondContact CA-O 3.4Å; A397-Y407 HydrophobicContact CB-CD1 4.06Å; A397-Y407 HydrophobicContact CB-CD2 4Å; A397-Y407 HydrophobicContact CB-CE1 3.51Å; A397-Y407 HydrophobicContact CB-CE2 3.44Å; A397-Y407 VanDerWaalsContact CB-CE2 3.44Å; A397-Y407 HydrophobicContact CB-CG 4.29Å; A397-Y407 WeakPolarHBondContact CB-OH 3.45Å; A397-Y407 PolarHBondContact N-O 2.92Å; S399-Y407 WeakPolarHBondContact O-CE1 3.06Å; A401-Y407 HydrophobicContact CB-CD1 3.93Å; A401-Y407 HydrophobicContact CB-CE1 4.43Å; Y407-L411 HydrophobicContact CD2-CD1 4.4Å
408	T	98.8	Very high	98.4	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.006	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-76.6	153.4	179.5	43.1	0	0	0	0	111.6	L396 I410 V428 S433 Y438	L396-T408 HydrophobicContact CD2-CG2 3.97Å; T408-I410 VanDerWaalsContact C-N 3.3Å; T408-I410 WeakPolarHBondContact CB-O 3.28Å; T408-I410 PolarHBondContact OG1-O 2.93Å; T408-V428 HydrophobicContact CG2-CG1 4.48Å; T408-S433 VanDerWaalsContact CG2-CB 3.42Å; T408-Y438 HydrophobicContact CG2-CE1 3.87Å
409	S	98.6	Very high	98.4	Very high	4 Å²	4	48.2 Å²	48.2	3%	0.028	27%	0.266	C	S	.	.	S	Bend	trans	-57.5	-47.7	168.2	179.1	0	0	0	0	111	F383 G384 G395	F383-S409 CarbonylContact C-O 3.58Å; F383-S409 WeakPolarHBondContact CA-O 3.27Å; G384-S409 PolarHBondContact N-O 3.42Å; G384-S409 PolarHBondContact N-OG 2.9Å; G384-S409 PolarHBondContact O-OG 2.76Å; G395-S409 PolarHBondContact O-N 3.11Å
410	I	98.9	Very high	98.4	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	134.2	176.3	-67.4	166.8	0	0	0	110.6	A343 L347 F381 S382 F383 I393 F394 T408 Y412 Q440	A343-I410 HydrophobicContact CB-CD1 3.85Å; A343-I410 HydrophobicContact CB-CG2 3.81Å; L347-I410 HydrophobicContact CD1-CD1 4.11Å; F381-I410 HydrophobicContact CD2-CG2 3.84Å; F381-I410 HydrophobicContact CE2-CB 4.25Å; F381-I410 HydrophobicContact CE2-CD1 4.1Å; F381-I410 HydrophobicContact CE2-CG1 3.94Å; F381-I410 HydrophobicContact CE2-CG2 3.33Å; F381-I410 HydrophobicContact CZ-CD1 4.3Å; F381-I410 HydrophobicContact CZ-CG1 4.13Å; F381-I410 HydrophobicContact CZ-CG2 4.3Å; S382-I410 VanDerWaalsContact O-CA 3.27Å; S382-I410 WeakPolarHBondContact O-CA 3.41Å; F383-I410 HydrophobicContact CB-CG1 4.24Å; I393-I410 HydrophobicContact CG1-CD1 4.13Å; I393-I410 VanDerWaalsContact O-CD1 3.28Å; I393-I410 WeakPolarHBondContact O-CD1 3.49Å; I393-I410 WeakPolarHBondContact O-CG1 3.23Å; F394-I410 HydrophobicContact CD1-CD1 3.89Å; F394-I410 HydrophobicContact CE1-CD1 4.25Å; T408-I410 VanDerWaalsContact C-N 3.3Å; T408-I410 WeakPolarHBondContact CB-O 3.28Å; T408-I410 PolarHBondContact OG1-O 2.93Å; I410-Y412 HydrophobicContact CG2-CE2 4.41Å; I410-Q440 HydrophobicContact CB-CG 3.95Å; I410-Q440 HydrophobicContact CG2-CB 4.02Å; I410-Q440 HydrophobicContact CG2-CG 3.62Å
411	L	98.9	Very high	98.2	Very high	52 Å²	52	47.3 Å²	47.3	27%	0.272	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	157.6	170.9	-68.9	172.3	0	0	0	110.5	S382 Y407 Q441	S382-L411 PolarHBondContact N-O 2.77Å; S382-L411 PolarHBondContact O-N 3.14Å; S382-L411 PolarHBondContact OG-O 2.66Å; Y407-L411 HydrophobicContact CD2-CD1 4.4Å; L411-Q441 HydrophobicContact CD2-CB 3.78Å; L411-Q441 WeakPolarHBondContact CD2-O 3.45Å
412	Y	98.9	Very high	97.9	Very high	8 Å²	8	52 Å²	52	3%	0.031	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	150.7	171.4	-69.6	-90.8	0	0	0	111.8	H338 A343 V380 F381 I410 N414 Q440 Q441 A442 A443 E449	H338-Y412 HydrophobicContact CB-CE1 4.16Å; H338-Y412 AromaticContact ND1-CE1 3.54Å; H338-Y412 AromaticContact ND1-CZ 3.6Å; H338-Y412 PolarHBondContact ND1-OH 3.21Å; A343-Y412 WeakPolarHBondContact CA-OH 3.38Å; A343-Y412 HydrophobicContact CB-CE2 4.34Å; V380-Y412 CarbonylContact O-C 3.58Å; V380-Y412 WeakPolarHBondContact O-CA 3.5Å; F381-Y412 HydrophobicContact CB-CD1 3.98Å; F381-Y412 HydrophobicContact CB-CE1 3.65Å; F381-Y412 HydrophobicContact CD2-CD1 4.5Å; F381-Y412 AromaticContact CD2-CE1 3.85Å; F381-Y412 HydrophobicContact CD2-CE1 3.85Å; F381-Y412 HydrophobicContact CD2-CE2 4.3Å; F381-Y412 AromaticContact CD2-CZ 3.73Å; F381-Y412 HydrophobicContact CG-CE1 4.22Å; I410-Y412 HydrophobicContact CG2-CE2 4.41Å; Y412-N414 WeakPolarHBondContact CB-O 3.49Å; Y412-Q440 HydrophobicContact CD2-CB 4.01Å; Y412-Q440 HydrophobicContact CE2-CB 4.11Å; Y412-Q441 PolarHBondContact N-O 3.3Å; Y412-Q441 VanDerWaalsContact N-O 3.12Å; Y412-A442 VanDerWaalsContact O-CA 3.28Å; Y412-A442 WeakPolarHBondContact O-CA 3.32Å; Y412-A443 PolarHBondContact O-N 3.31Å; Y412-E449 HydrophobicContact CD1-CG 3.65Å; Y412-E449 WeakPolarHBondContact CD1-OE1 3.29Å; Y412-E449 HydrophobicContact CE1-CG 4.29Å; Y412-E449 HydrophobicContact CG-CG 4.26Å
413	G	98.9	Very high	97.7	Very high	35 Å²	35	45 Å²	45	36%	0.361	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	-40.3	172.6	0	0	0	0	0	112.5	V380 A443 V444	V380-G413 PolarHBondContact O-N 2.98Å; G413-A443 VanDerWaalsContact O-CB 3.27Å; G413-A443 WeakPolarHBondContact O-CB 3.34Å; G413-A443 PolarHBondContact O-N 2.93Å; G413-A443 VanDerWaalsContact O-N 3.17Å; G413-V444 PolarHBondContact O-N 3.35Å
414	N	98.9	Very high	97.6	Very high	25 Å²	25	46 Å²	46	13%	0.134	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	176	178.1	61.4	55.7	0	0	0	110.1	Y412 A442 V444 L446 E449 T450	Y412-N414 WeakPolarHBondContact CB-O 3.49Å; N414-A442 VanDerWaalsContact C-CB 3.45Å; N414-V444 CarbonylContact C-O 3.39Å; N414-V444 WeakPolarHBondContact CA-O 3.24Å; N414-V444 HydrophobicContact CB-CB 3.81Å; N414-V444 WeakPolarHBondContact CB-O 3.38Å; N414-L446 HydrophobicContact CB-CD1 3.92Å; N414-L446 HydrophobicContact CB-CG 4.42Å; N414-E449 WeakPolarHBondContact O-CG 3.4Å; N414-E449 WeakPolarHBondContact OD1-CA 3.1Å; N414-T450 PolarHBondContact ND2-OG1 2.99Å; N414-T450 PolarHBondContact OD1-N 3.14Å; N414-T450 PolarHBondContact OD1-OG1 3.4Å
415	G	98.8	Very high	97.6	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.01	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	126	-172.9	175.8	0	0	0	0	0	115	G417 Y418 V444 L446	G415-G417 PolarHBondContact O-N 3.43Å; G415-Y418 PolarHBondContact O-N 3.44Å; G415-V444 PolarHBondContact N-O 2.9Å; G415-L446 CarbonylContact C-O 3.6Å; G415-L446 PolarHBondContact O-N 2.99Å
416	P	98.7	Very high	97.6	Very high	38 Å²	38	43 Å²	43	25%	0.247	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-9.1	-170	30.9	-37.6	0	0	0	113.8	E340 Y418 L446	E340-P416 WeakPolarHBondContact O-CG 3.43Å; P416-Y418 VanDerWaalsContact C-N 3.25Å; P416-Y418 PolarHBondContact O-N 2.92Å; P416-L446 WeakPolarHBondContact CA-O 3.45Å
417	G	98.6	Very high	97.6	Very high	5 Å²	5	46.3 Å²	46.3	5%	0.052	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-3.9	175	0	0	0	0	0	114.6	G415 V419 Q440	G415-G417 PolarHBondContact O-N 3.43Å; G417-V419 PolarHBondContact O-N 2.64Å; G417-Q440 WeakPolarHBondContact CA-O 3.19Å
418	Y	98.6	Very high	97.6	Very high	88 Å²	88	44.1 Å²	44.1	35%	0.345	27%	0.268	S	S	.	.			trans	-63	129.1	170.1	178.9	-83.1	0	0	0	110.3	G415 P416 L420 A442 A443 P445	G415-Y418 PolarHBondContact O-N 3.44Å; P416-Y418 VanDerWaalsContact C-N 3.25Å; P416-Y418 PolarHBondContact O-N 2.92Å; Y418-L420 HydrophobicContact CE1-CD1 4.26Å; Y418-L420 HydrophobicContact CE1-CG 3.94Å; Y418-L420 WeakPolarHBondContact OH-CD1 3.43Å; Y418-A442 VanDerWaalsContact CD2-O 3.29Å; Y418-A442 WeakPolarHBondContact CD2-O 3.5Å; Y418-A443 WeakPolarHBondContact CD2-O 3.34Å; Y418-A443 WeakPolarHBondContact CE2-O 3.29Å; Y418-P445 HydrophobicContact CD1-CB 3.62Å; Y418-P445 HydrophobicContact CD1-CG 3.92Å; Y418-P445 HydrophobicContact CE1-CB 4.34Å; Y418-P445 HydrophobicContact CE1-CG 4.17Å; Y418-P445 HydrophobicContact CG-CB 3.74Å; Y418-P445 HydrophobicContact CG-CG 4.1Å
419	V	96.8	Very high	97.5	Very high	59 Å²	59	47.6 Å²	47.6	36%	0.358	29%	0.286	S	S	.	.			trans	-149.2	138	-179.7	53.3	0	0	0	0	111.5	G417 P426	G417-V419 PolarHBondContact O-N 2.64Å; V419-P426 HydrophobicContact CB-CG 4.37Å; V419-P426 HydrophobicContact CG1-CG 3.39Å; V419-P426 HydrophobicContact CG2-CG 4.15Å; V419-P426 WeakPolarHBondContact O-CD 3.49Å
420	L	96.5	Very high	97.3	Very high	86 Å²	86	52.2 Å²	52.2	45%	0.45	31%	0.308	S	S	.	.			trans	-126.2	122.3	167.4	-68	-179.6	0	0	0	109.2	Y418 V424	Y418-L420 HydrophobicContact CE1-CD1 4.26Å; Y418-L420 HydrophobicContact CE1-CG 3.94Å; Y418-L420 WeakPolarHBondContact OH-CD1 3.43Å; L420-V424 CarbonylContact C-O 3.51Å; L420-V424 WeakPolarHBondContact CA-O 3.44Å
421	N	93.1	Very high	97.2	Very high	93 Å²	93	57 Å²	57	50%	0.497	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-99.6	111.3	171.7	-72.8	-8.9	0	0	0	108.1	G423 V424	N421-G423 PolarHBondContact O-N 3Å; N421-V424 PolarHBondContact N-O 2.77Å; N421-V424 WeakPolarHBondContact O-CG2 3.42Å; N421-V424 PolarHBondContact O-N 3.13Å; N421-V424 VanDerWaalsContact O-N 3.11Å
422	S	92.9	Very high	97.2	Very high	132 Å²	132	59 Å²	59	92%	0.923	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	39.3	-176	-56.7	0	0	0	0	113.4	V424	S422-V424 VanDerWaalsContact C-N 3.29Å; S422-V424 PolarHBondContact O-N 3.5Å
423	G	94.2	Very high	97.1	Very high	60 Å²	60	58.6 Å²	58.6	62%	0.619	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	4.3	179	0	0	0	0	0	115.2	N421	N421-G423 PolarHBondContact O-N 3Å
424	V	96.6	Very high	97	Very high	80 Å²	80	58.5 Å²	58.5	49%	0.485	35%	0.346	S	S	.	.	B	Isolated β-bridge	trans	-119.4	147.4	175.8	-60.8	0	0	0	0	111.7	L420 N421 S422	L420-V424 CarbonylContact C-O 3.51Å; L420-V424 WeakPolarHBondContact CA-O 3.44Å; N421-V424 PolarHBondContact N-O 2.77Å; N421-V424 WeakPolarHBondContact O-CG2 3.42Å; N421-V424 PolarHBondContact O-N 3.13Å; N421-V424 VanDerWaalsContact O-N 3.11Å; S422-V424 VanDerWaalsContact C-N 3.29Å; S422-V424 PolarHBondContact O-N 3.5Å
425	R	98.3	Very high	97	Very high	51 Å²	51	59.2 Å²	59.2	19%	0.192	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-57.8	132.3	170.4	-171.4	-174.9	73.6	88.6	-7.8	109.8	D403 K405 A406	D403-R425 IonicContact OD1-CZ 3.3Å; D403-R425 IonicContact OD1-NE 3.64Å; D403-R425 IonicContact OD1-NH2 3.51Å; D403-R425 PolarHBondContact OD1-NH2 2.71Å; D403-R425 IonicContact OD2-CZ 3.63Å; D403-R425 IonicContact OD2-NE 3.59Å; D403-R425 PolarHBondContact OD2-NE 2.64Å; D403-R425 IonicContact OD2-NH2 2.82Å; D403-R425 PolarHBondContact OD2-NH2 2.95Å; K405-R425 WeakPolarHBondContact CD-O 3.34Å; K405-R425 WeakPolarHBondContact CE-O 3.36Å; K405-R425 PolarHBondContact NZ-O 2.94Å; K405-R425 PolarHBondContact O-NH2 2.99Å; A406-R425 PolarHBondContact O-NH1 2.77Å; A406-R425 PolarHBondContact O-NH2 3.22Å
426	P	97.8	Very high	97	Very high	24 Å²	24	61.4 Å²	61.4	16%	0.156	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-69.3	150	176.2	26.9	-31.6	0	0	0	111.7	V419 Q441	V419-P426 HydrophobicContact CB-CG 4.37Å; V419-P426 HydrophobicContact CG1-CG 3.39Å; V419-P426 HydrophobicContact CG2-CG 4.15Å; V419-P426 WeakPolarHBondContact O-CD 3.49Å; P426-Q441 PolarHBondContact O-NE2 2.85Å
427	D	98.1	Very high	96.9	Very high	76 Å²	76	65.2 Å²	65.2	41%	0.406	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-73.8	162	163.4	-152.8	-10.5	0	0	0	108.7	K400 K405 A406	K400-D427 IonicContact NZ-OD1 3.6Å; K400-D427 IonicContact NZ-OD2 2.76Å; K400-D427 PolarHBondContact NZ-OD2 2.65Å; K405-D427 HydrophobicContact CB-CB 4.01Å; K405-D427 HydrophobicContact CD-CB 3.96Å; K405-D427 HydrophobicContact CG-CB 3.9Å; A406-D427 WeakPolarHBondContact CA-OD1 3.47Å; A406-D427 WeakPolarHBondContact CB-OD1 3.4Å; A406-D427 PolarHBondContact N-OD1 3.02Å
428	V	98.2	Very high	96.9	Very high	8 Å²	8	66.8 Å²	66.8	5%	0.048	39%	0.39	C	S	.	.			trans	-142	142.6	179.5	56.7	0	0	0	0	109.8	L396 A406 T408 E432 Y438	L396-V428 HydrophobicContact CD2-CG1 3.76Å; L396-V428 HydrophobicContact CD2-CG2 4.36Å; A406-V428 HydrophobicContact CB-CG1 4.36Å; A406-V428 WeakPolarHBondContact CB-O 3.36Å; T408-V428 HydrophobicContact CG2-CG1 4.48Å; V428-E432 WeakPolarHBondContact CA-OE2 3.45Å; V428-E432 HydrophobicContact CG2-CB 3.98Å; V428-Y438 HydrophobicContact CG2-CE2 3.88Å; V428-Y438 WeakPolarHBondContact CG2-OH 3.28Å
429	N	97.8	Very high	96.9	Very high	74 Å²	74	67.6 Å²	67.6	40%	0.396	39%	0.393	S	S	.	.			trans	-111.7	166.9	172.9	71.6	66.9	0	0	0	112.6	S431 E432 S433	N429-S431 VanDerWaalsContact C-N 3.29Å; N429-S431 PolarHBondContact O-N 2.78Å; N429-S431 WeakPolarHBondContact OD1-CA 3.41Å; N429-S431 WeakPolarHBondContact OD1-CB 3.48Å; N429-S431 PolarHBondContact OD1-N 2.95Å; N429-E432 PolarHBondContact N-OE2 2.86Å; N429-E432 PolarHBondContact ND2-OE1 2.82Å; N429-E432 PolarHBondContact ND2-OE2 3.22Å; N429-E432 VanDerWaalsContact ND2-OE2 3.1Å; N429-E432 WeakPolarHBondContact O-CB 3.49Å; N429-E432 PolarHBondContact O-N 3.45Å; N429-E432 VanDerWaalsContact O-N 3.11Å; N429-E432 PolarHBondContact OD1-N 3.33Å; N429-E432 VanDerWaalsContact OD1-N 3.11Å; N429-S433 PolarHBondContact O-N 2.93Å
430	E	94.8	Very high	97	Very high	101 Å²	101	64.8 Å²	64.8	47%	0.472	38%	0.376	S	S	.	.	H	α-helix	trans	-58.7	-34.9	-177.4	-69.1	-71.1	169.2	0	0	113.8	G395 L396 E432 S433 G434	G395-E430 VanDerWaalsContact CA-OE2 3.26Å; G395-E430 WeakPolarHBondContact CA-OE2 3.48Å; L396-E430 VanDerWaalsContact CB-OE1 3.32Å; L396-E430 WeakPolarHBondContact CB-OE1 3.39Å; L396-E430 HydrophobicContact CD1-CG 3.99Å; L396-E430 HydrophobicContact CG-CG 4.14Å; L396-E430 WeakPolarHBondContact CG-OE1 3.45Å; L396-E430 PolarHBondContact N-OE1 3.33Å; E430-E432 VanDerWaalsContact C-N 3.33Å; E430-S433 PolarHBondContact O-OG 2.79Å; E430-G434 PolarHBondContact O-N 3.07Å
431	S	96.4	Very high	97.1	Very high	101 Å²	101	61.5 Å²	61.5	71%	0.706	36%	0.358	S	S	*	.	H	α-helix	trans	-70.1	-34.5	178.3	-174.2	0	0	0	0	111.6	N429	N429-S431 VanDerWaalsContact C-N 3.29Å; N429-S431 PolarHBondContact O-N 2.78Å; N429-S431 WeakPolarHBondContact OD1-CA 3.41Å; N429-S431 WeakPolarHBondContact OD1-CB 3.48Å; N429-S431 PolarHBondContact OD1-N 2.95Å
432	E	97.9	Very high	97.4	Very high	93 Å²	93	57.8 Å²	57.8	44%	0.435	34%	0.34	S	S	.	.	H	α-helix	trans	-71.3	-50.6	174.9	-69.2	166	162.8	0	0	110.1	V428 N429 E430 G434 S435 Y438	V428-E432 WeakPolarHBondContact CA-OE2 3.45Å; V428-E432 HydrophobicContact CG2-CB 3.98Å; N429-E432 PolarHBondContact N-OE2 2.86Å; N429-E432 PolarHBondContact ND2-OE1 2.82Å; N429-E432 PolarHBondContact ND2-OE2 3.22Å; N429-E432 VanDerWaalsContact ND2-OE2 3.1Å; N429-E432 WeakPolarHBondContact O-CB 3.49Å; N429-E432 PolarHBondContact O-N 3.45Å; N429-E432 VanDerWaalsContact O-N 3.11Å; N429-E432 PolarHBondContact OD1-N 3.33Å; N429-E432 VanDerWaalsContact OD1-N 3.11Å; E430-E432 VanDerWaalsContact C-N 3.33Å; E432-G434 VanDerWaalsContact C-N 3.3Å; E432-G434 PolarHBondContact O-N 3.22Å; E432-S435 WeakPolarHBondContact O-CB 3.42Å; E432-S435 PolarHBondContact O-N 3.38Å; E432-S435 VanDerWaalsContact O-N 3.16Å; E432-Y438 VanDerWaalsContact O-CB 3.24Å; E432-Y438 WeakPolarHBondContact O-CB 3.39Å; E432-Y438 WeakPolarHBondContact O-CD2 3.39Å
433	S	97.8	Very high	97.7	Very high	1 Å²	1	55 Å²	55	1%	0.007	33%	0.325	C	S	.	.	H	α-helix	trans	-67.6	-28.9	-174.9	70.4	0	0	0	0	113.9	F394 T408 N429 E430 S435	F394-S433 VanDerWaalsContact O-CB 3.26Å; F394-S433 WeakPolarHBondContact O-CB 3.4Å; F394-S433 PolarHBondContact O-OG 2.89Å; T408-S433 VanDerWaalsContact CG2-CB 3.42Å; N429-S433 PolarHBondContact O-N 2.93Å; E430-S433 PolarHBondContact O-OG 2.79Å; S433-S435 VanDerWaalsContact C-N 3.32Å
434	G	96.9	Very high	97.9	Very high	32 Å²	32	56 Å²	56	33%	0.33	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-3.6	176	0	0	0	0	0	115	E430 E432	E430-G434 PolarHBondContact O-N 3.07Å; E432-G434 VanDerWaalsContact C-N 3.3Å; E432-G434 PolarHBondContact O-N 3.22Å
435	S	98.4	Very high	98	Very high	41 Å²	41	55.8 Å²	55.8	29%	0.287	32%	0.319	S	S	.	.	S	Bend	trans	-68.4	139	176.9	-178.8	0	0	0	0	111	E432 S433 D437 Y438	E432-S435 WeakPolarHBondContact O-CB 3.42Å; E432-S435 PolarHBondContact O-N 3.38Å; E432-S435 VanDerWaalsContact O-N 3.16Å; S433-S435 VanDerWaalsContact C-N 3.32Å; S435-D437 PolarHBondContact O-N 3.26Å; S435-D437 PolarHBondContact OG-N 3.21Å; S435-Y438 VanDerWaalsContact O-CB 3.32Å; S435-Y438 WeakPolarHBondContact O-CB 3.43Å; S435-Y438 PolarHBondContact O-N 3.27Å
436	P	98.1	Very high	98	Very high	47 Å²	47	57 Å²	57	31%	0.305	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-36.4	172.5	-26.9	35.6	0	0	0	113.4	I297 Y344 H345 Y438	I297-P436 HydrophobicContact CD1-CB 3.97Å; Y344-P436 HydrophobicContact CD1-CB 3.72Å; Y344-P436 HydrophobicContact CD1-CG 4.09Å; Y344-P436 HydrophobicContact CE1-CB 3.94Å; Y344-P436 HydrophobicContact CE1-CG 3.85Å; Y344-P436 HydrophobicContact CE2-CG 4.49Å; Y344-P436 HydrophobicContact CG-CB 4.17Å; H345-P436 PolarHBondContact CD2-O 3.31Å; H345-P436 PolarHBondContact NE2-O 3.33Å; P436-Y438 VanDerWaalsContact C-N 3.28Å; P436-Y438 PolarHBondContact O-N 3.43Å
437	D	97.8	Very high	98	Very high	118 Å²	118	61.8 Å²	61.8	63%	0.631	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	5.7	-177.9	-56.7	-47.4	0	0	0	113.6	L342 S435 R439	L342-D437 WeakPolarHBondContact CD2-O 3.28Å; S435-D437 PolarHBondContact O-N 3.26Å; S435-D437 PolarHBondContact OG-N 3.21Å; D437-R439 PolarHBondContact O-N 3.05Å
438	Y	98.7	Very high	98.1	Very high	37 Å²	37	60.4 Å²	60.4	15%	0.145	36%	0.36	C	S	.	.			trans	-75.8	117.6	-179.2	-175.4	-103.4	0	0	0	111.7	L342 T408 V428 E432 S435 P436 Q440	L342-Y438 WeakPolarHBondContact CD2-O 3.36Å; T408-Y438 HydrophobicContact CG2-CE1 3.87Å; V428-Y438 HydrophobicContact CG2-CE2 3.88Å; V428-Y438 WeakPolarHBondContact CG2-OH 3.28Å; E432-Y438 VanDerWaalsContact O-CB 3.24Å; E432-Y438 WeakPolarHBondContact O-CB 3.39Å; E432-Y438 WeakPolarHBondContact O-CD2 3.39Å; S435-Y438 VanDerWaalsContact O-CB 3.32Å; S435-Y438 WeakPolarHBondContact O-CB 3.43Å; S435-Y438 PolarHBondContact O-N 3.27Å; P436-Y438 VanDerWaalsContact C-N 3.28Å; P436-Y438 PolarHBondContact O-N 3.43Å; Y438-Q440 HydrophobicContact CD1-CG 4.03Å; Y438-Q440 HydrophobicContact CE1-CB 4.4Å; Y438-Q440 HydrophobicContact CE1-CG 3.94Å; Y438-Q440 PolarHBondContact O-N 2.62Å; Y438-Q440 PolarHBondContact O-NE2 2.82Å
439	R	98.8	Very high	98.1	Very high	105 Å²	105	60.1 Å²	60.1	40%	0.396	36%	0.358	S	S	.	.			trans	-83.7	112.3	171.8	-61	-179.7	-167.7	-92.6	-6.6	109.3	E340 G341 L342 D437	E340-R439 PolarHBondContact O-NH1 3.14Å; G341-R439 CarbonylContact O-C 3.46Å; G341-R439 VanDerWaalsContact O-CA 3.23Å; G341-R439 WeakPolarHBondContact O-CA 3.48Å; L342-R439 HydrophobicContact CD2-CB 4.4Å; L342-R439 HydrophobicContact CD2-CG 3.51Å; L342-R439 HydrophobicContact CG-CG 4.16Å; D437-R439 PolarHBondContact O-N 3.05Å
440	Q	98.8	Very high	98.1	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.005	36%	0.355	C	S	.	.			trans	-63.1	145.3	178.1	-71.6	78.9	23.6	0	0	110.8	G341 I410 Y412 G417 Y438	G341-Q440 PolarHBondContact O-N 3.37Å; G341-Q440 PolarHBondContact O-OE1 2.91Å; I410-Q440 HydrophobicContact CB-CG 3.95Å; I410-Q440 HydrophobicContact CG2-CB 4.02Å; I410-Q440 HydrophobicContact CG2-CG 3.62Å; Y412-Q440 HydrophobicContact CD2-CB 4.01Å; Y412-Q440 HydrophobicContact CE2-CB 4.11Å; G417-Q440 WeakPolarHBondContact CA-O 3.19Å; Y438-Q440 HydrophobicContact CD1-CG 4.03Å; Y438-Q440 HydrophobicContact CE1-CB 4.4Å; Y438-Q440 HydrophobicContact CE1-CG 3.94Å; Y438-Q440 PolarHBondContact O-N 2.62Å; Y438-Q440 PolarHBondContact O-NE2 2.82Å
441	Q	98.8	Very high	98.3	Very high	17 Å²	17	55.4 Å²	55.4	8%	0.079	34%	0.337	C	S	.	.			trans	-59.2	143.3	-175.9	-67.2	-179.4	-6.8	0	0	111.1	L411 Y412 P426	L411-Q441 HydrophobicContact CD2-CB 3.78Å; L411-Q441 WeakPolarHBondContact CD2-O 3.45Å; Y412-Q441 PolarHBondContact N-O 3.3Å; Y412-Q441 VanDerWaalsContact N-O 3.12Å; P426-Q441 PolarHBondContact O-NE2 2.85Å
442	A	98.8	Very high	98.4	Very high	14 Å²	14	50.7 Å²	50.7	12%	0.116	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	155.9	177.7	0	0	0	0	0	111.7	Y412 N414 Y418	Y412-A442 VanDerWaalsContact O-CA 3.28Å; Y412-A442 WeakPolarHBondContact O-CA 3.32Å; N414-A442 VanDerWaalsContact C-CB 3.45Å; Y418-A442 VanDerWaalsContact CD2-O 3.29Å; Y418-A442 WeakPolarHBondContact CD2-O 3.5Å
443	A	98.7	Very high	98.5	Very high	74 Å²	74	47.9 Å²	47.9	61%	0.612	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.1	-32.6	-179.8	0	0	0	0	0	113.5	Y412 G413 Y418	Y412-A443 PolarHBondContact O-N 3.31Å; G413-A443 VanDerWaalsContact O-CB 3.27Å; G413-A443 WeakPolarHBondContact O-CB 3.34Å; G413-A443 PolarHBondContact O-N 2.93Å; G413-A443 VanDerWaalsContact O-N 3.17Å; Y418-A443 WeakPolarHBondContact CD2-O 3.34Å; Y418-A443 WeakPolarHBondContact CE2-O 3.29Å
444	V	98.8	Very high	98.5	Very high	80 Å²	80	51.6 Å²	51.6	49%	0.485	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	126.5	179.6	-179.8	0	0	0	0	110.6	G413 N414 G415 L446	G413-V444 PolarHBondContact O-N 3.35Å; N414-V444 CarbonylContact C-O 3.39Å; N414-V444 WeakPolarHBondContact CA-O 3.24Å; N414-V444 HydrophobicContact CB-CB 3.81Å; N414-V444 WeakPolarHBondContact CB-O 3.38Å; G415-V444 PolarHBondContact N-O 2.9Å; V444-L446 PolarHBondContact O-N 3.38Å
445	P	98.6	Very high	98.6	Very high	77 Å²	77	52.6 Å²	52.6	50%	0.5	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	125.9	179.8	26.8	-31.6	0	0	0	111.5	Y418	Y418-P445 HydrophobicContact CD1-CB 3.62Å; Y418-P445 HydrophobicContact CD1-CG 3.92Å; Y418-P445 HydrophobicContact CE1-CB 4.34Å; Y418-P445 HydrophobicContact CE1-CG 4.17Å; Y418-P445 HydrophobicContact CG-CB 3.74Å; Y418-P445 HydrophobicContact CG-CG 4.1Å
446	L	98.6	Very high	98.7	Very high	76 Å²	76	50.6 Å²	50.6	40%	0.398	30%	0.302	S	S	.	.			trans	-139.5	156.2	169.2	-66.2	176.1	0	0	0	109.4	N414 G415 P416 V444 S448 T450	N414-L446 HydrophobicContact CB-CD1 3.92Å; N414-L446 HydrophobicContact CB-CG 4.42Å; G415-L446 CarbonylContact C-O 3.6Å; G415-L446 PolarHBondContact O-N 2.99Å; P416-L446 WeakPolarHBondContact CA-O 3.45Å; V444-L446 PolarHBondContact O-N 3.38Å; L446-S448 WeakPolarHBondContact CB-O 3.45Å; L446-S448 PolarHBondContact O-N 3.48Å; L446-T450 HydrophobicContact CD1-CG2 3.65Å
447	S	98.2	Very high	98.7	Very high	124 Å²	124	49 Å²	49	87%	0.867	29%	0.293	S	S	*	.	S	Bend	trans	-69	-24.3	173.9	55.3	0	0	0	0	112.9
448	S	98.6	Very high	98.7	Very high	48 Å²	48	43.7 Å²	43.7	34%	0.336	27%	0.265	S	S	.	.	S	Bend	trans	-138.9	133.1	175.2	-173.1	0	0	0	0	107	H339 L446	H339-S448 WeakPolarHBondContact CB-OG 3.46Å; H339-S448 PolarHBondContact ND1-OG 3.04Å; H339-S448 WeakPolarHBondContact O-CA 3.44Å; L446-S448 WeakPolarHBondContact CB-O 3.45Å; L446-S448 PolarHBondContact O-N 3.48Å
449	E	98.9	Very high	98.8	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.009	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-60.2	155.7	167.4	-177.5	-88.6	-172.2	0	0	110.1	H338 H339 H379 V380 Y412 N414	H338-E449 WeakPolarHBondContact O-CB 3.48Å; H339-E449 PolarHBondContact CE1-O 2.97Å; H339-E449 VanDerWaalsContact CE1-O 3.29Å; H339-E449 PolarHBondContact ND1-O 3.13Å; H339-E449 IonicContact ND1-OE2 3.31Å; H339-E449 PolarHBondContact O-N 2.93Å; H379-E449 WeakPolarHBondContact CB-OE1 3.43Å; H379-E449 IonicContact CE1-OE2 2.73Å; H379-E449 IonicContact CG-OE1 3.32Å; H379-E449 IonicContact CG-OE2 2.89Å; H379-E449 IonicContact ND1-OE1 3.64Å; H379-E449 IonicContact ND1-OE2 3.63Å; H379-E449 PolarHBondContact ND1-OE2 3.09Å; V380-E449 HydrophobicContact CG2-CG 3.79Å; V380-E449 WeakPolarHBondContact CG2-OE1 3.47Å; V380-E449 PolarHBondContact N-OE1 3.26Å; Y412-E449 HydrophobicContact CD1-CG 3.65Å; Y412-E449 WeakPolarHBondContact CD1-OE1 3.29Å; Y412-E449 HydrophobicContact CE1-CG 4.29Å; Y412-E449 HydrophobicContact CG-CG 4.26Å; N414-E449 WeakPolarHBondContact O-CG 3.4Å; N414-E449 WeakPolarHBondContact OD1-CA 3.1Å
450	T	98.8	Very high	98.8	Very high	54 Å²	54	37.8 Å²	37.8	33%	0.331	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-100	149.1	-178.5	65.1	0	0	0	0	112.8	V380 N414 L446	V380-T450 PolarHBondContact N-O 3.43Å; N414-T450 PolarHBondContact ND2-OG1 2.99Å; N414-T450 PolarHBondContact OD1-N 3.14Å; N414-T450 PolarHBondContact OD1-OG1 3.4Å; L446-T450 HydrophobicContact CD1-CG2 3.65Å
451	H	98.9	Very high	98.8	Very high	21 Å²	21	41.1 Å²	41.1	10%	0.097	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.4	158.2	166.4	-51	159.5	0	0	0	113.4	V108 P109 D335 H339 H377 S378 H379	V108-H451 HydrophobicContact CG1-CB 3.87Å; V108-H451 VanDerWaalsContact CG1-O 3.29Å; V108-H451 WeakPolarHBondContact CG1-O 3.33Å; P109-H451 PolarHBondContact O-ND1 3.46Å; D335-H451 IonicContact OD1-CD2 3.09Å; D335-H451 PolarHBondContact OD1-CD2 3.39Å; D335-H451 IonicContact OD1-NE2 3.62Å; D335-H451 PolarHBondContact OD1-NE2 3.44Å; H339-H451 AromaticContact CE1-CD2 3.31Å; H339-H451 PolarHBondContact CE1-CD2 2.99Å; H339-H451 AromaticContact CE1-NE2 3.25Å; H339-H451 PolarHBondContact CE1-NE2 3.07Å; H339-H451 AromaticContact NE2-CD2 3.71Å; H339-H451 AromaticContact NE2-NE2 3.18Å; H339-H451 PolarHBondContact NE2-NE2 3.33Å; H339-H451 VanDerWaalsContact NE2-NE2 3.18Å; H377-H451 AromaticContact CD2-CE1 3.89Å; H377-H451 AromaticContact CD2-ND1 3.64Å; H377-H451 AromaticContact CE1-CD2 3.16Å; H377-H451 PolarHBondContact CE1-CD2 2.84Å; H377-H451 AromaticContact CE1-CE1 3.31Å; H377-H451 PolarHBondContact CE1-CE1 2.87Å; H377-H451 AromaticContact CE1-CG 3.31Å; H377-H451 AromaticContact CE1-ND1 3.4Å; H377-H451 PolarHBondContact CE1-ND1 3.38Å; H377-H451 AromaticContact CE1-NE2 3.25Å; H377-H451 PolarHBondContact CE1-NE2 3.5Å; H377-H451 VanDerWaalsContact CE1-NE2 3.25Å; H377-H451 AromaticContact CG-CG 3.96Å; H377-H451 AromaticContact CG-ND1 3.93Å; H377-H451 AromaticContact ND1-CD2 3.64Å; H377-H451 AromaticContact ND1-CG 3.44Å; H377-H451 AromaticContact ND1-ND1 3.77Å; H377-H451 AromaticContact NE2-CD2 3.76Å; H377-H451 AromaticContact NE2-CE1 3.04Å; H377-H451 PolarHBondContact NE2-CE1 3.24Å; H377-H451 AromaticContact NE2-CG 3.67Å; H377-H451 AromaticContact NE2-ND1 3.23Å; H377-H451 PolarHBondContact NE2-ND1 2.97Å; H377-H451 AromaticContact NE2-NE2 3.46Å; H377-H451 PolarHBondContact NE2-NE2 2.91Å; S378-H451 CarbonylContact O-C 3.53Å; S378-H451 WeakPolarHBondContact O-CA 3.15Å; H379-H451 AromaticContact CE1-CD2 3.78Å
452	G	98.8	Very high	98.8	Very high	3 Å²	3	40.5 Å²	40.5	3%	0.031	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	139.7	169.6	0	0	0	0	0	110.8	S378 E454	S378-G452 PolarHBondContact N-O 3.42Å; S378-G452 PolarHBondContact O-N 3.45Å; G452-E454 VanDerWaalsContact CA-OE2 3.31Å; G452-E454 WeakPolarHBondContact CA-OE2 3.14Å
453	G	98.7	Very high	98.8	Very high	34 Å²	34	39.9 Å²	39.9	35%	0.351	25%	0.248	S	C	.	.			trans	-99.9	7.4	-177	0	0	0	0	0	114.6
454	E	98.9	Very high	98.8	Very high	78 Å²	78	36.6 Å²	36.6	36%	0.364	22%	0.22	S	C	.	.	S	Bend	trans	-73.9	166.3	174.5	78	-80.7	-159	0	0	112.3	T101 S378 G452	T101-E454 PolarHBondContact OG1-O 2.93Å; S378-E454 WeakPolarHBondContact CB-OE1 3.37Å; S378-E454 PolarHBondContact OG-OE1 3.48Å; G452-E454 VanDerWaalsContact CA-OE2 3.31Å; G452-E454 WeakPolarHBondContact CA-OE2 3.14Å
455	D	98.9	Very high	98.8	Very high	53 Å²	53	32.8 Å²	32.8	28%	0.283	20%	0.197	S	C	.	.			trans	-65	143.8	177.5	-64.8	-0.9	0	0	0	111.3	L98 S99 K100	L98-D455 HydrophobicContact CB-CB 4.1Å; L98-D455 HydrophobicContact CD2-CB 4.36Å; S99-D455 VanDerWaalsContact O-CA 3.3Å; S99-D455 WeakPolarHBondContact O-CA 3.47Å; K100-D455 WeakPolarHBondContact CG-OD1 3.24Å
456	V	98.9	Very high	98.8	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	-109.6	158.8	175.3	-60.8	0	0	0	0	111.1	L98 S99 T101 A375	L98-V456 CarbonylContact C-O 3.54Å; L98-V456 WeakPolarHBondContact CA-O 3.06Å; S99-V456 PolarHBondContact N-O 2.63Å; S99-V456 PolarHBondContact O-N 3.15Å; T101-V456 HydrophobicContact CG2-CB 4.36Å; T101-V456 HydrophobicContact CG2-CG1 3.98Å; T101-V456 HydrophobicContact CG2-CG2 3.64Å; A375-V456 HydrophobicContact CB-CB 4.02Å; A375-V456 HydrophobicContact CB-CG1 4.04Å; A375-V456 HydrophobicContact CB-CG2 4.24Å; A375-V456 WeakPolarHBondContact O-CG2 3.42Å
457	A	98.9	Very high	98.8	Very high	14 Å²	14	30.2 Å²	30.2	12%	0.116	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	144.3	179	0	0	0	0	0	111.8	A97 T374 F459	A97-A457 CarbonylContact O-C 3.48Å; A97-A457 WeakPolarHBondContact O-CA 3.31Å; T374-A457 WeakPolarHBondContact CA-O 3.37Å; T374-A457 PolarHBondContact OG1-O 3.35Å; A457-F459 HydrophobicContact CB-CD2 4.33Å; A457-F459 HydrophobicContact CB-CE2 3.58Å; A457-F459 HydrophobicContact CB-CZ 3.74Å
458	V	98.9	Very high	98.8	Very high	6 Å²	6	24.4 Å²	24.4	4%	0.036	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	123	164.9	-172	0	0	0	0	107.8	V96 A97 I373 V468 V477	V96-V458 CarbonylContact C-O 3.22Å; V96-V458 VanDerWaalsContact CA-O 3.24Å; V96-V458 WeakPolarHBondContact CA-O 3.32Å; A97-V458 HydrophobicContact CB-CB 4.47Å; A97-V458 PolarHBondContact N-O 3.21Å; A97-V458 PolarHBondContact O-N 2.02Å; I373-V458 CarbonylContact O-C 3.14Å; I373-V458 WeakPolarHBondContact O-CA 3.34Å; V458-V468 HydrophobicContact CB-CG1 3.95Å; V458-V468 HydrophobicContact CG1-CG1 3.68Å; V458-V477 HydrophobicContact CG1-CG2 4.39Å; V458-V477 HydrophobicContact CG2-CG2 4.13Å
459	F	98.9	Very high	98.8	Very high	18 Å²	18	27.5 Å²	27.5	8%	0.079	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	136.4	174.7	-51.5	-97.5	0	0	0	109.4	M90 F93 Y95 V96 L372 I373 A457	M90-F459 HydrophobicContact CB-CD2 4.48Å; M90-F459 WeakPolarHBondContact O-CD1 3.19Å; M90-F459 HydrophobicContact SD-CE2 4.19Å; F93-F459 HydrophobicContact CB-CB 3.79Å; F93-F459 HydrophobicContact CD1-CB 4.12Å; F93-F459 HydrophobicContact CG-CB 4.12Å; Y95-F459 CarbonylContact O-C 3.49Å; Y95-F459 WeakPolarHBondContact O-CA 3.24Å; V96-F459 HydrophobicContact CG2-CD1 3.74Å; V96-F459 HydrophobicContact CG2-CE1 4.16Å; L372-F459 CarbonylContact C-O 3.55Å; L372-F459 VanDerWaalsContact CA-O 3.31Å; L372-F459 WeakPolarHBondContact CA-O 3.32Å; I373-F459 HydrophobicContact CB-CB 4.17Å; I373-F459 HydrophobicContact CB-CD2 4.18Å; I373-F459 HydrophobicContact CD1-CB 4.34Å; I373-F459 HydrophobicContact CG2-CD2 4.28Å; I373-F459 PolarHBondContact N-O 3.4Å; I373-F459 PolarHBondContact O-N 2.91Å; A457-F459 HydrophobicContact CB-CD2 4.33Å; A457-F459 HydrophobicContact CB-CE2 3.58Å; A457-F459 HydrophobicContact CB-CZ 3.74Å
460	A	98.9	Very high	98.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	141.6	-176.5	0	0	0	0	0	113.7	F93 P94 Y95 T371 L372 A465 V468	F93-A460 VanDerWaalsContact CD1-C 3.42Å; P94-A460 WeakPolarHBondContact CD-O 3.43Å; Y95-A460 PolarHBondContact N-O 3.29Å; Y95-A460 PolarHBondContact O-N 2.99Å; T371-A460 WeakPolarHBondContact O-CA 3.11Å; L372-A460 HydrophobicContact CD2-CB 3.3Å; A460-A465 HydrophobicContact CB-CB 3.76Å; A460-V468 HydrophobicContact CB-CB 3.66Å; A460-V468 HydrophobicContact CB-CG1 4.06Å; A460-V468 HydrophobicContact CB-CG2 3.6Å
461	R	98.9	Very high	98.8	Very high	70 Å²	70	30.9 Å²	30.9	26%	0.264	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	142.9	175.5	-179.9	-170.6	-65.2	-113.3	6.3	110.4	G92 F93 E366 L370 T371 A465	G92-R461 VanDerWaalsContact C-NH2 3.27Å; G92-R461 PolarHBondContact O-NH2 2.94Å; F93-R461 HydrophobicContact CD1-CB 3.49Å; F93-R461 VanDerWaalsContact CD1-CB 3.49Å; F93-R461 HydrophobicContact CE1-CB 3.49Å; F93-R461 VanDerWaalsContact CE1-CB 3.49Å; F93-R461 HydrophobicContact CG-CB 4.1Å; F93-R461 HydrophobicContact CZ-CB 4.1Å; E366-R461 HydrophobicContact CB-CG 3.9Å; E366-R461 WeakPolarHBondContact OE2-CD 3.27Å; E366-R461 WeakPolarHBondContact OE2-CG 3.22Å; E366-R461 IonicContact OE2-CZ 2.66Å; E366-R461 IonicContact OE2-NE 3.71Å; E366-R461 IonicContact OE2-NH1 3.66Å; E366-R461 PolarHBondContact OE2-NH1 3.27Å; L370-R461 WeakPolarHBondContact CA-O 3.16Å; L370-R461 WeakPolarHBondContact CD1-O 3.4Å; T371-R461 PolarHBondContact N-O 2.88Å; T371-R461 PolarHBondContact O-N 3.24Å; R461-A465 VanDerWaalsContact C-CB 3.48Å
462	G	98.8	Very high	98.8	Very high	5 Å²	5	32.2 Å²	32.2	5%	0.052	18%	0.182	C	C	.	.	S	Bend	trans	104.7	-162.2	175.8	0	0	0	0	0	114.7	E366 T369 Q464 A465	E366-G462 WeakPolarHBondContact O-CA 3.28Å; T369-G462 WeakPolarHBondContact O-CA 3.34Å; G462-Q464 PolarHBondContact O-N 2.87Å; G462-A465 WeakPolarHBondContact O-CB 3.4Å; G462-A465 PolarHBondContact O-N 2.85Å; G462-A465 VanDerWaalsContact O-N 3.09Å
463	P	98.8	Very high	98.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	132.1	-176.5	-21.8	34.1	0	0	0	111.9	I48 K50 A52 E366 E367 T369 A465	I48-P463 HydrophobicContact CG2-CB 4Å; I48-P463 HydrophobicContact CG2-CG 3.98Å; I48-P463 WeakPolarHBondContact O-CA 3.34Å; K50-P463 VanDerWaalsContact O-CB 3.28Å; K50-P463 WeakPolarHBondContact O-CB 3.45Å; A52-P463 HydrophobicContact CB-CB 4.09Å; A52-P463 HydrophobicContact CB-CG 4.26Å; E366-P463 WeakPolarHBondContact O-CD 3.37Å; E367-P463 WeakPolarHBondContact O-CG 3.48Å; T369-P463 WeakPolarHBondContact O-CD 3.43Å; P463-A465 PolarHBondContact O-N 3.23Å; P463-A465 VanDerWaalsContact O-N 3.12Å
464	Q	98.8	Very high	98.9	Very high	6 Å²	6	32.8 Å²	32.8	3%	0.028	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	5.1	-175.5	-44.7	-50	-43.9	0	0	116.9	I48 K50 G462 H466 L467 F483 A484 L495	I48-Q464 PolarHBondContact O-N 2.95Å; I48-Q464 PolarHBondContact O-NE2 3.21Å; K50-Q464 VanDerWaalsContact N-NE2 3.12Å; K50-Q464 PolarHBondContact O-NE2 3.06Å; G462-Q464 PolarHBondContact O-N 2.87Å; Q464-H466 PolarHBondContact O-N 3.22Å; Q464-H466 VanDerWaalsContact O-N 3.08Å; Q464-H466 PolarHBondContact OE1-CE1 3.3Å; Q464-L467 HydrophobicContact CB-CD1 4.03Å; Q464-L467 HydrophobicContact CB-CG 4.45Å; Q464-L467 WeakPolarHBondContact O-CB 3.47Å; Q464-L467 WeakPolarHBondContact O-CG 3.38Å; Q464-L467 PolarHBondContact O-N 2.71Å; Q464-F483 HydrophobicContact CB-CD1 4.48Å; Q464-F483 HydrophobicContact CG-CD1 4.2Å; Q464-F483 HydrophobicContact CG-CE1 4.03Å; Q464-A484 HydrophobicContact CB-CB 3.77Å; Q464-A484 HydrophobicContact CG-CB 3.73Å; Q464-L495 HydrophobicContact CG-CD1 3.81Å; Q464-L495 VanDerWaalsContact NE2-CD2 3.34Å
465	A	98.9	Very high	98.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-58.9	-27.2	-179.5	0	0	0	0	0	113.9	Y95 L370 A460 R461 G462 P463 L467 V468	Y95-A465 WeakPolarHBondContact CB-O 3.41Å; Y95-A465 VanDerWaalsContact CD2-C 3.43Å; Y95-A465 HydrophobicContact CD2-CB 3.54Å; Y95-A465 HydrophobicContact CE2-CB 3.91Å; L370-A465 HydrophobicContact CD1-CB 3.89Å; A460-A465 HydrophobicContact CB-CB 3.76Å; R461-A465 VanDerWaalsContact C-CB 3.48Å; G462-A465 WeakPolarHBondContact O-CB 3.4Å; G462-A465 PolarHBondContact O-N 2.85Å; G462-A465 VanDerWaalsContact O-N 3.09Å; P463-A465 PolarHBondContact O-N 3.23Å; P463-A465 VanDerWaalsContact O-N 3.12Å; A465-L467 PolarHBondContact O-N 2.9Å; A465-L467 VanDerWaalsContact O-N 3.12Å; A465-V468 WeakPolarHBondContact O-CB 3.25Å; A465-V468 PolarHBondContact O-N 3.43Å
466	H	98.8	Very high	98.9	Very high	44 Å²	44	30.3 Å²	30.3	20%	0.204	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-61.1	-15.6	175.2	66.7	-77.6	0	0	0	114.9	P47 Y95 Q464 V468	P47-H466 HydrophobicContact CB-CB 4.36Å; P47-H466 HydrophobicContact CG-CB 4.41Å; Y95-H466 HydrophobicContact CD1-CB 4.09Å; Y95-H466 VanDerWaalsContact CE1-CA 3.46Å; Y95-H466 HydrophobicContact CE1-CB 3.46Å; Y95-H466 VanDerWaalsContact CE1-CB 3.46Å; Y95-H466 HydrophobicContact CE2-CB 4.03Å; Y95-H466 VanDerWaalsContact CZ-CB 3.43Å; Q464-H466 PolarHBondContact O-N 3.22Å; Q464-H466 VanDerWaalsContact O-N 3.08Å; Q464-H466 PolarHBondContact OE1-CE1 3.3Å; H466-V468 VanDerWaalsContact C-N 3.26Å
467	L	98.8	Very high	98.9	Very high	54 Å²	54	30.4 Å²	30.4	28%	0.283	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-75.4	-16.5	173	-58.5	-179	0	0	0	112.4	Q464 A465 H469 F476 V480 F483	Q464-L467 HydrophobicContact CB-CD1 4.03Å; Q464-L467 HydrophobicContact CB-CG 4.45Å; Q464-L467 WeakPolarHBondContact O-CB 3.47Å; Q464-L467 WeakPolarHBondContact O-CG 3.38Å; Q464-L467 PolarHBondContact O-N 2.71Å; A465-L467 PolarHBondContact O-N 2.9Å; A465-L467 VanDerWaalsContact O-N 3.12Å; L467-H469 PolarHBondContact O-CD2 3.28Å; L467-H469 PolarHBondContact O-N 2.94Å; L467-H469 VanDerWaalsContact O-N 3.14Å; L467-F476 HydrophobicContact CB-CZ 4.35Å; L467-F476 WeakPolarHBondContact O-CE1 3.32Å; L467-F476 VanDerWaalsContact O-CZ 3.27Å; L467-F476 WeakPolarHBondContact O-CZ 3.34Å; L467-V480 HydrophobicContact CB-CG2 3.9Å; L467-V480 HydrophobicContact CD1-CG2 4.29Å; L467-F483 HydrophobicContact CD1-CD1 3.64Å; L467-F483 HydrophobicContact CD1-CE1 3.56Å
468	V	98.9	Very high	98.9	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.018	16%	0.158	C	C	.	.			trans	-81.1	92.2	174.4	-177.7	0	0	0	0	108.7	A97 L372 V458 A460 A465 H466 F476 V480	A97-V468 HydrophobicContact CB-CG1 3.68Å; L372-V468 HydrophobicContact CD2-CG2 4Å; V458-V468 HydrophobicContact CB-CG1 3.95Å; V458-V468 HydrophobicContact CG1-CG1 3.68Å; A460-V468 HydrophobicContact CB-CB 3.66Å; A460-V468 HydrophobicContact CB-CG1 4.06Å; A460-V468 HydrophobicContact CB-CG2 3.6Å; A465-V468 WeakPolarHBondContact O-CB 3.25Å; A465-V468 PolarHBondContact O-N 3.43Å; H466-V468 VanDerWaalsContact C-N 3.26Å; V468-F476 HydrophobicContact CG2-CE1 4.3Å; V468-V480 HydrophobicContact CG2-CG1 4.14Å; V468-V480 HydrophobicContact CG2-CG2 4.27Å
469	H	98.8	Very high	98.9	Very high	113 Å²	113	32 Å²	32	52%	0.523	17%	0.168	S	C	.	.			trans	-147	159.6	-179.1	73.3	87.7	0	0	0	112.6	L467 Q472	L467-H469 PolarHBondContact O-CD2 3.28Å; L467-H469 PolarHBondContact O-N 2.94Å; L467-H469 VanDerWaalsContact O-N 3.14Å; H469-Q472 PolarHBondContact O-NE2 3.01Å
470	G	98.8	Very high	98.9	Very high	45 Å²	45	31.2 Å²	31.2	46%	0.464	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	70.3	-142.5	173.3	0	0	0	0	0	113.1	A97 L98	A97-G470 CarbonylContact C-O 3.55Å; A97-G470 VanDerWaalsContact CA-O 3.3Å; A97-G470 WeakPolarHBondContact CA-O 3.26Å; A97-G470 WeakPolarHBondContact CB-O 3.44Å; L98-G470 PolarHBondContact N-O 3.11Å
471	V	98.9	Very high	98.9	Very high	82 Å²	82	31.2 Å²	31.2	50%	0.497	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	119	177.3	-174.8	0	0	0	0	108	L98 K100	L98-V471 HydrophobicContact CB-CG1 4.27Å; L98-V471 HydrophobicContact CB-CG2 4.21Å; L98-V471 HydrophobicContact CD1-CG2 4.34Å; L98-V471 CarbonylContact O-C 3.55Å; L98-V471 WeakPolarHBondContact O-CA 3.5Å; K100-V471 HydrophobicContact CD-CG1 4.16Å; K100-V471 HydrophobicContact CG-CG1 3.98Å
472	Q	98.9	Very high	98.9	Very high	48 Å²	48	27.9 Å²	27.9	22%	0.224	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	157.7	-172.4	-61.3	-63.3	-23.9	0	0	111.1	L98 K100 H469 F476	L98-Q472 PolarHBondContact O-N 3.16Å; K100-Q472 PolarHBondContact N-O 3.34Å; H469-Q472 PolarHBondContact O-NE2 3.01Å; Q472-F476 HydrophobicContact CB-CB 3.89Å; Q472-F476 HydrophobicContact CB-CD1 4.18Å; Q472-F476 HydrophobicContact CB-CG 4.12Å; Q472-F476 HydrophobicContact CG-CB 4.41Å; Q472-F476 HydrophobicContact CG-CD1 3.87Å; Q472-F476 HydrophobicContact CG-CE1 4.33Å; Q472-F476 HydrophobicContact CG-CG 4.08Å
473	E	98.9	Very high	98.9	Very high	49 Å²	49	30.1 Å²	30.1	23%	0.229	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	144.2	159.7	-69.9	-60.9	157.6	0	0	109.5	K100 Y102 K123 S475 F476	K100-E473 VanDerWaalsContact CE-OE1 3.24Å; K100-E473 WeakPolarHBondContact CE-OE1 3.13Å; K100-E473 IonicContact NZ-OE1 3.6Å; K100-E473 PolarHBondContact NZ-OE1 3.32Å; Y102-E473 WeakPolarHBondContact CE1-OE2 3.43Å; Y102-E473 PolarHBondContact OH-OE1 3.11Å; Y102-E473 PolarHBondContact OH-OE2 3.32Å; K123-E473 WeakPolarHBondContact CE-OE2 3.37Å; K123-E473 IonicContact NZ-OE2 2.92Å; K123-E473 PolarHBondContact NZ-OE2 3.42Å; E473-S475 PolarHBondContact O-N 3.1Å; E473-F476 WeakPolarHBondContact O-CB 3.36Å; E473-F476 PolarHBondContact O-N 3.26Å
474	Q	98.9	Very high	98.9	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-27.5	178.5	-175.5	175.5	60.2	0	0	113.7	S99 K100 T114 A117 Y118 D376 F476 V477	S99-Q474 VanDerWaalsContact OG-CA 3.26Å; S99-Q474 WeakPolarHBondContact OG-CA 3.21Å; S99-Q474 VanDerWaalsContact OG-CB 3.3Å; S99-Q474 WeakPolarHBondContact OG-CB 3.37Å; K100-Q474 WeakPolarHBondContact O-CB 3.36Å; K100-Q474 PolarHBondContact O-N 2.88Å; T114-Q474 VanDerWaalsContact CA-OE1 3.3Å; T114-Q474 VanDerWaalsContact CG2-OE1 3.32Å; A117-Q474 HydrophobicContact CB-CB 4.21Å; A117-Q474 HydrophobicContact CB-CG 4.1Å; Y118-Q474 HydrophobicContact CD1-CG 4.4Å; D376-Q474 PolarHBondContact O-NE2 3.08Å; Q474-F476 PolarHBondContact O-N 3.48Å; Q474-F476 VanDerWaalsContact O-N 3.13Å; Q474-V477 WeakPolarHBondContact O-CB 3.49Å; Q474-V477 PolarHBondContact O-N 3.4Å
475	S	98.9	Very high	98.9	Very high	24 Å²	24	30.2 Å²	30.2	17%	0.168	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-21.4	173.9	53.1	0	0	0	0	114	A117 E473 V477 A478 H479	A117-S475 WeakPolarHBondContact O-CA 3.44Å; E473-S475 PolarHBondContact O-N 3.1Å; S475-V477 PolarHBondContact O-N 3.01Å; S475-A478 PolarHBondContact O-N 3.04Å; S475-H479 PolarHBondContact O-CD2 3.11Å; S475-H479 PolarHBondContact O-N 3.49Å
476	F	98.9	Very high	98.9	Very high	54 Å²	54	31.4 Å²	31.4	24%	0.237	17%	0.171	C	C	.	.	H	α-helix	trans	-60.5	-32.5	177	-176.4	-101.8	0	0	0	112.5	L467 V468 Q472 E473 Q474 A478 H479 V480	L467-F476 HydrophobicContact CB-CZ 4.35Å; L467-F476 WeakPolarHBondContact O-CE1 3.32Å; L467-F476 VanDerWaalsContact O-CZ 3.27Å; L467-F476 WeakPolarHBondContact O-CZ 3.34Å; V468-F476 HydrophobicContact CG2-CE1 4.3Å; Q472-F476 HydrophobicContact CB-CB 3.89Å; Q472-F476 HydrophobicContact CB-CD1 4.18Å; Q472-F476 HydrophobicContact CB-CG 4.12Å; Q472-F476 HydrophobicContact CG-CB 4.41Å; Q472-F476 HydrophobicContact CG-CD1 3.87Å; Q472-F476 HydrophobicContact CG-CE1 4.33Å; Q472-F476 HydrophobicContact CG-CG 4.08Å; E473-F476 WeakPolarHBondContact O-CB 3.36Å; E473-F476 PolarHBondContact O-N 3.26Å; Q474-F476 PolarHBondContact O-N 3.48Å; Q474-F476 VanDerWaalsContact O-N 3.13Å; F476-A478 VanDerWaalsContact C-N 3.32Å; F476-A478 PolarHBondContact O-N 3Å; F476-H479 PolarHBondContact O-N 3.18Å; F476-H479 VanDerWaalsContact O-N 3.12Å; F476-V480 HydrophobicContact CD1-CB 4.37Å; F476-V480 HydrophobicContact CD1-CG1 4.36Å; F476-V480 HydrophobicContact CE1-CB 3.89Å; F476-V480 HydrophobicContact CE1-CG1 4.17Å; F476-V480 HydrophobicContact CE1-CG2 4.25Å; F476-V480 HydrophobicContact CZ-CB 4.02Å; F476-V480 HydrophobicContact CZ-CG2 4.24Å; F476-V480 WeakPolarHBondContact O-CG1 3.33Å; F476-V480 PolarHBondContact O-N 2.87Å
477	V	98.9	Very high	98.9	Very high	3 Å²	3	29.5 Å²	29.5	2%	0.018	16%	0.162	C	C	.	.	H	α-helix	trans	-55.1	-47.6	178.2	176.1	0	0	0	0	111	L57 L372 V458 Q474 S475 V480 M481	L57-V477 HydrophobicContact CD1-CG1 3.89Å; L57-V477 HydrophobicContact CD2-CG1 4.35Å; L372-V477 HydrophobicContact CD1-CG1 3.87Å; V458-V477 HydrophobicContact CG1-CG2 4.39Å; V458-V477 HydrophobicContact CG2-CG2 4.13Å; Q474-V477 WeakPolarHBondContact O-CB 3.49Å; Q474-V477 PolarHBondContact O-N 3.4Å; S475-V477 PolarHBondContact O-N 3.01Å; V477-V480 WeakPolarHBondContact O-CG1 3.38Å; V477-M481 HydrophobicContact CG1-SD 4.47Å; V477-M481 VanDerWaalsContact O-CG 3.29Å; V477-M481 WeakPolarHBondContact O-CG 3.32Å; V477-M481 PolarHBondContact O-N 3.15Å
478	A	98.9	Very high	98.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-65.1	-43.8	177.3	0	0	0	0	0	112	Y118 G121 V151 S475 F476 M481 A482	Y118-A478 WeakPolarHBondContact O-CA 3.26Å; Y118-A478 WeakPolarHBondContact O-CB 3.26Å; Y118-A478 PolarHBondContact O-N 2.87Å; G121-A478 VanDerWaalsContact CA-CB 3.42Å; V151-A478 HydrophobicContact CG2-CB 3.79Å; V151-A478 VanDerWaalsContact CG2-O 3.27Å; V151-A478 WeakPolarHBondContact CG2-O 3.35Å; S475-A478 PolarHBondContact O-N 3.04Å; F476-A478 VanDerWaalsContact C-N 3.32Å; F476-A478 PolarHBondContact O-N 3Å; A478-M481 PolarHBondContact O-N 2.76Å; A478-A482 WeakPolarHBondContact O-CB 3.3Å; A478-A482 PolarHBondContact O-N 2.84Å
479	H	98.9	Very high	98.8	Very high	52 Å²	52	35.4 Å²	35.4	24%	0.241	20%	0.196	C	C	.	.	H	α-helix	trans	-67.4	-42.2	-175.8	-73.9	-62.9	0	0	0	112.3	G121 S475 F476 M481 A482 F483 Y490	G121-H479 PolarHBondContact O-NE2 2.87Å; S475-H479 PolarHBondContact O-CD2 3.11Å; S475-H479 PolarHBondContact O-N 3.49Å; F476-H479 PolarHBondContact O-N 3.18Å; F476-H479 VanDerWaalsContact O-N 3.12Å; H479-M481 VanDerWaalsContact C-N 3.33Å; H479-M481 PolarHBondContact O-N 2.74Å; H479-A482 PolarHBondContact O-N 3.31Å; H479-F483 VanDerWaalsContact O-CB 3.27Å; H479-F483 WeakPolarHBondContact O-CB 3.42Å; H479-F483 PolarHBondContact O-N 3.23Å; H479-Y490 HydrophobicContact CB-CE2 4.17Å; H479-Y490 AromaticContact ND1-CE2 3.7Å; H479-Y490 AromaticContact ND1-CZ 3.73Å; H479-Y490 PolarHBondContact ND1-OH 3.36Å; H479-Y490 WeakPolarHBondContact O-CE2 3.46Å
480	V	98.9	Very high	98.8	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.018	19%	0.185	C	C	.	.	H	α-helix	trans	-66	-37.5	178.2	71.8	0	0	0	0	111.5	L372 L467 V468 F476 V477 A484	L372-V480 HydrophobicContact CD1-CG1 3.77Å; L467-V480 HydrophobicContact CB-CG2 3.9Å; L467-V480 HydrophobicContact CD1-CG2 4.29Å; V468-V480 HydrophobicContact CG2-CG1 4.14Å; V468-V480 HydrophobicContact CG2-CG2 4.27Å; F476-V480 HydrophobicContact CD1-CB 4.37Å; F476-V480 HydrophobicContact CD1-CG1 4.36Å; F476-V480 HydrophobicContact CE1-CB 3.89Å; F476-V480 HydrophobicContact CE1-CG1 4.17Å; F476-V480 HydrophobicContact CE1-CG2 4.25Å; F476-V480 HydrophobicContact CZ-CB 4.02Å; F476-V480 HydrophobicContact CZ-CG2 4.24Å; F476-V480 WeakPolarHBondContact O-CG1 3.33Å; F476-V480 PolarHBondContact O-N 2.87Å; V477-V480 WeakPolarHBondContact O-CG1 3.38Å; V480-A484 VanDerWaalsContact O-CB 3.28Å; V480-A484 WeakPolarHBondContact O-CB 3.47Å; V480-A484 PolarHBondContact O-N 3.27Å
481	M	98.9	Very high	98.6	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-65.8	-45.9	174.4	-68.3	-176.9	81.1	0	0	111.8	L55 L57 V151 Y326 L370 L372 V477 A478 H479 F483 A484 A485	L55-M481 HydrophobicContact CB-CE 3.81Å; L55-M481 HydrophobicContact CD1-CB 4.26Å; L55-M481 WeakPolarHBondContact CD1-O 3.42Å; L55-M481 HydrophobicContact CD2-CB 4.25Å; L55-M481 HydrophobicContact CD2-CE 4.4Å; L55-M481 HydrophobicContact CG-CE 4.5Å; L57-M481 HydrophobicContact CB-CE 3.84Å; L57-M481 HydrophobicContact CB-SD 3.95Å; L57-M481 HydrophobicContact CD1-SD 4.35Å; L57-M481 HydrophobicContact CD2-SD 4.39Å; L57-M481 HydrophobicContact CG-SD 4.47Å; V151-M481 HydrophobicContact CG1-CB 4.28Å; Y326-M481 HydrophobicContact CD2-CE 4.19Å; Y326-M481 HydrophobicContact CE2-CE 3.54Å; Y326-M481 HydrophobicContact CE2-SD 4.26Å; L370-M481 HydrophobicContact CD2-CG 4.32Å; L372-M481 HydrophobicContact CD1-CG 3.46Å; L372-M481 VanDerWaalsContact CD1-CG 3.46Å; L372-M481 HydrophobicContact CD1-SD 3.87Å; L372-M481 HydrophobicContact CG-CG 4.15Å; L372-M481 HydrophobicContact CG-SD 4.42Å; V477-M481 HydrophobicContact CG1-SD 4.47Å; V477-M481 VanDerWaalsContact O-CG 3.29Å; V477-M481 WeakPolarHBondContact O-CG 3.32Å; V477-M481 PolarHBondContact O-N 3.15Å; A478-M481 PolarHBondContact O-N 2.76Å; H479-M481 VanDerWaalsContact C-N 3.33Å; H479-M481 PolarHBondContact O-N 2.74Å; M481-F483 PolarHBondContact O-N 3.19Å; M481-A484 PolarHBondContact O-N 3.31Å; M481-A485 PolarHBondContact O-N 2.77Å
482	A	98.9	Very high	98.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-61.7	-44.2	176.7	0	0	0	0	0	111.8	V151 A478 H479 A485 C486 L487 Y490	V151-A482 HydrophobicContact CG1-CB 4.28Å; V151-A482 HydrophobicContact CG2-CB 4.2Å; A478-A482 WeakPolarHBondContact O-CB 3.3Å; A478-A482 PolarHBondContact O-N 2.84Å; H479-A482 PolarHBondContact O-N 3.31Å; A482-A485 PolarHBondContact O-N 3.34Å; A482-C486 PolarHBondContact O-N 3.02Å; A482-C486 VanDerWaalsContact O-N 3.12Å; A482-L487 HydrophobicContact CB-CB 4.32Å; A482-L487 PolarHBondContact O-N 3.22Å; A482-Y490 HydrophobicContact CB-CD2 3.83Å; A482-Y490 HydrophobicContact CB-CE2 4.1Å
483	F	98.9	Very high	98.1	Very high	52 Å²	52	34.7 Å²	34.7	23%	0.228	20%	0.196	C	C	.	.	H	α-helix	trans	-60.2	-49.3	176.7	173.8	-97.9	0	0	0	111.6	Q464 L467 H479 M481 A485 C486 Y490 C493 L495	Q464-F483 HydrophobicContact CB-CD1 4.48Å; Q464-F483 HydrophobicContact CG-CD1 4.2Å; Q464-F483 HydrophobicContact CG-CE1 4.03Å; L467-F483 HydrophobicContact CD1-CD1 3.64Å; L467-F483 HydrophobicContact CD1-CE1 3.56Å; H479-F483 VanDerWaalsContact O-CB 3.27Å; H479-F483 WeakPolarHBondContact O-CB 3.42Å; H479-F483 PolarHBondContact O-N 3.23Å; M481-F483 PolarHBondContact O-N 3.19Å; F483-A485 PolarHBondContact O-N 3.4Å; F483-C486 PolarHBondContact O-N 2.88Å; F483-Y490 HydrophobicContact CB-CD2 3.9Å; F483-Y490 HydrophobicContact CB-CE2 4.32Å; F483-Y490 HydrophobicContact CB-CG 4.05Å; F483-Y490 HydrophobicContact CD2-CD1 4.24Å; F483-Y490 HydrophobicContact CD2-CG 4.18Å; F483-C493 HydrophobicContact CE2-CB 4.34Å; F483-L495 HydrophobicContact CE1-CD1 4.05Å; F483-L495 HydrophobicContact CE1-CD2 4.46Å; F483-L495 HydrophobicContact CZ-CD1 4.24Å; F483-L495 HydrophobicContact CZ-CD2 4.28Å; F483-L495 HydrophobicContact CZ-CG 4.34Å
484	A	98.8	Very high	97.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-59.7	-33.4	-177.4	0	0	0	0	0	113.2	V51 A52 L370 Q464 V480 M481	V51-A484 CarbonylContact C-O 3.47Å; V51-A484 WeakPolarHBondContact CA-O 3.45Å; A52-A484 HydrophobicContact CB-CB 4.03Å; A52-A484 PolarHBondContact N-O 3.1Å; L370-A484 HydrophobicContact CD2-CB 3.41Å; L370-A484 VanDerWaalsContact CD2-CB 3.41Å; Q464-A484 HydrophobicContact CB-CB 3.77Å; Q464-A484 HydrophobicContact CG-CB 3.73Å; V480-A484 VanDerWaalsContact O-CB 3.28Å; V480-A484 WeakPolarHBondContact O-CB 3.47Å; V480-A484 PolarHBondContact O-N 3.27Å; M481-A484 PolarHBondContact O-N 3.31Å
485	A	98.6	Very high	97.7	Very high	8 Å²	8	41.5 Å²	41.5	7%	0.066	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	9.1	178.8	0	0	0	0	0	114	L55 M481 A482 F483 L487	L55-A485 HydrophobicContact CD1-CB 3.63Å; L55-A485 HydrophobicContact CD2-CB 4.06Å; L55-A485 HydrophobicContact CG-CB 3.89Å; M481-A485 PolarHBondContact O-N 2.77Å; A482-A485 PolarHBondContact O-N 3.34Å; F483-A485 PolarHBondContact O-N 3.4Å; A485-L487 HydrophobicContact CB-CD1 4.02Å; A485-L487 HydrophobicContact CB-CG 3.81Å; A485-L487 PolarHBondContact O-N 2.98Å
486	C	98.6	Very high	97.4	Very high	25 Å²	25	42.9 Å²	42.9	17%	0.169	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	37.9	-176.6	-49.8	0	0	0	0	113.5	V51 A482 F483 Y490 C493	V51-C486 WeakPolarHBondContact CG2-SG 3.39Å; A482-C486 PolarHBondContact O-N 3.02Å; A482-C486 VanDerWaalsContact O-N 3.12Å; F483-C486 PolarHBondContact O-N 2.88Å; C486-Y490 WeakPolarHBondContact CA-O 3.46Å; C486-C493 HydrophobicContact CB-CB 3.81Å; C486-C493 WeakPolarHBondContact CB-SG 3.48Å; C486-C493 WeakPolarHBondContact SG-CB 3.44Å; C486-C493 CovalentContact SG-SG 2.02Å; C486-C493 PolarHBondContact SG-SG 3.37Å
487	L	98.7	Very high	96.9	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.021	26%	0.262	C	S	.	.			trans	-85.6	157.5	175.4	-57.3	177.5	0	0	0	109.5	L55 V151 R154 A155 A158 A482 A485 Y490	L55-L487 HydrophobicContact CD1-CD1 3.88Å; V151-L487 HydrophobicContact CG1-CD1 3.93Å; R154-L487 HydrophobicContact CB-CB 4.37Å; A155-L487 HydrophobicContact CB-CD1 3.8Å; A158-L487 HydrophobicContact CB-CD2 3.45Å; A158-L487 VanDerWaalsContact CB-CD2 3.45Å; A482-L487 HydrophobicContact CB-CB 4.32Å; A482-L487 PolarHBondContact O-N 3.22Å; A485-L487 HydrophobicContact CB-CD1 4.02Å; A485-L487 HydrophobicContact CB-CG 3.81Å; A485-L487 PolarHBondContact O-N 2.98Å; L487-Y490 CarbonylContact O-C 3.5Å; L487-Y490 WeakPolarHBondContact O-CA 3.17Å; L487-Y490 WeakPolarHBondContact O-CB 3.04Å; L487-Y490 PolarHBondContact O-N 3.33Å
488	E	97.9	Very high	96.2	Very high	89 Å²	89	45.5 Å²	45.5	42%	0.416	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.5	136.9	174.3	-72.3	176.1	-179.3	0	0	111.5	R154 K157 T491	R154-E488 WeakPolarHBondContact CD-O 3.37Å; R154-E488 HydrophobicContact CG-CB 4.41Å; R154-E488 PolarHBondContact NH1-O 2.92Å; K157-E488 IonicContact NZ-OE1 3.72Å; K157-E488 PolarHBondContact NZ-OE1 3Å; K157-E488 IonicContact NZ-OE2 3.24Å; K157-E488 PolarHBondContact NZ-OE2 3.29Å; E488-T491 HydrophobicContact CG-CG2 4.15Å
489	P	98.4	Very high	95.1	Very high	91 Å²	91	46.2 Å²	46.2	59%	0.591	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	cis	-85.9	8.7	3	36.2	-37.5	0	0	0	115.1
490	Y	98.5	Very high	93.4	Very high	73 Å²	73	47.2 Å²	47.2	29%	0.286	30%	0.3	S	S	.	.			trans	-102.3	37.3	-169.2	-51.7	-68.5	0	0	0	113.9	H479 A482 F483 C486 L487 A492 C493	H479-Y490 HydrophobicContact CB-CE2 4.17Å; H479-Y490 AromaticContact ND1-CE2 3.7Å; H479-Y490 AromaticContact ND1-CZ 3.73Å; H479-Y490 PolarHBondContact ND1-OH 3.36Å; H479-Y490 WeakPolarHBondContact O-CE2 3.46Å; A482-Y490 HydrophobicContact CB-CD2 3.83Å; A482-Y490 HydrophobicContact CB-CE2 4.1Å; F483-Y490 HydrophobicContact CB-CD2 3.9Å; F483-Y490 HydrophobicContact CB-CE2 4.32Å; F483-Y490 HydrophobicContact CB-CG 4.05Å; F483-Y490 HydrophobicContact CD2-CD1 4.24Å; F483-Y490 HydrophobicContact CD2-CG 4.18Å; C486-Y490 WeakPolarHBondContact CA-O 3.46Å; L487-Y490 CarbonylContact O-C 3.5Å; L487-Y490 WeakPolarHBondContact O-CA 3.17Å; L487-Y490 WeakPolarHBondContact O-CB 3.04Å; L487-Y490 PolarHBondContact O-N 3.33Å; Y490-A492 PolarHBondContact O-N 2.94Å; Y490-C493 VanDerWaalsContact O-CB 3.31Å; Y490-C493 WeakPolarHBondContact O-CB 3.3Å; Y490-C493 PolarHBondContact O-N 3.39Å
491	T	96.3	Very high	91.4	Very high	98 Å²	98	50.9 Å²	50.9	60%	0.601	32%	0.322	S	S	*	.	S	Bend	trans	-65.1	-27.7	178.7	52.3	0	0	0	0	112.6	E488 C493	E488-T491 HydrophobicContact CG-CG2 4.15Å; T491-C493 VanDerWaalsContact C-N 3.28Å; T491-C493 PolarHBondContact O-N 3.32Å
492	A	94.1	Very high	88.8	Confident	85 Å²	85	57.1 Å²	57.1	70%	0.702	36%	0.361	S	S	*	.			trans	-89.3	60	167.5	0	0	0	0	0	110.7	Y490 D494	Y490-A492 PolarHBondContact O-N 2.94Å; A492-D494 VanDerWaalsContact C-N 3.33Å
493	C	92.3	Very high	86	Confident	17 Å²	17	64.2 Å²	64.2	12%	0.115	40%	0.398	C	S	.	.			trans	-77.2	-13.6	-175.9	55.4	0	0	0	0	114.3	F483 C486 Y490 T491 L495	F483-C493 HydrophobicContact CE2-CB 4.34Å; C486-C493 HydrophobicContact CB-CB 3.81Å; C486-C493 WeakPolarHBondContact CB-SG 3.48Å; C486-C493 WeakPolarHBondContact SG-CB 3.44Å; C486-C493 CovalentContact SG-SG 2.02Å; C486-C493 PolarHBondContact SG-SG 3.37Å; Y490-C493 VanDerWaalsContact O-CB 3.31Å; Y490-C493 WeakPolarHBondContact O-CB 3.3Å; Y490-C493 PolarHBondContact O-N 3.39Å; T491-C493 VanDerWaalsContact C-N 3.28Å; T491-C493 PolarHBondContact O-N 3.32Å; C493-L495 HydrophobicContact CB-CB 4.44Å; C493-L495 HydrophobicContact CB-CD1 4.19Å; C493-L495 HydrophobicContact CB-CG 4.03Å; C493-L495 WeakPolarHBondContact O-CG 3.44Å; C493-L495 PolarHBondContact O-N 3.47Å; C493-L495 VanDerWaalsContact O-N 3.14Å
494	D	94.2	Very high	83.1	Confident	159 Å²	159	66 Å²	66	85%	0.85	42%	0.423	S	S	*	.			trans	53.5	28.2	-174.4	-61.1	-31.8	0	0	0	114.5	A492	A492-D494 VanDerWaalsContact C-N 3.33Å
495	L	94.7	Very high	80.2	Confident	34 Å²	34	69.5 Å²	69.5	18%	0.178	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-100	142.5	178.6	-61.8	179.9	0	0	0	111.8	V51 Q464 F483 C493	V51-L495 HydrophobicContact CG2-CB 3.58Å; V51-L495 HydrophobicContact CG2-CD1 4.42Å; Q464-L495 HydrophobicContact CG-CD1 3.81Å; Q464-L495 VanDerWaalsContact NE2-CD2 3.34Å; F483-L495 HydrophobicContact CE1-CD1 4.05Å; F483-L495 HydrophobicContact CE1-CD2 4.46Å; F483-L495 HydrophobicContact CZ-CD1 4.24Å; F483-L495 HydrophobicContact CZ-CD2 4.28Å; F483-L495 HydrophobicContact CZ-CG 4.34Å; C493-L495 HydrophobicContact CB-CB 4.44Å; C493-L495 HydrophobicContact CB-CD1 4.19Å; C493-L495 HydrophobicContact CB-CG 4.03Å; C493-L495 WeakPolarHBondContact O-CG 3.44Å; C493-L495 PolarHBondContact O-N 3.47Å; C493-L495 VanDerWaalsContact O-N 3.14Å
496	A	92.8	Very high	77.1	Confident	54 Å²	54	77.3 Å²	77.3	45%	0.446	49%	0.487	S	S	.	.	B	Isolated β-bridge	trans	-69.9	152.3	171.8	0	0	0	0	0	111.4	K50 V51	K50-A496 CarbonylContact C-O 3.45Å; K50-A496 WeakPolarHBondContact CA-O 3.49Å; V51-A496 WeakPolarHBondContact CG2-O 3.32Å; V51-A496 PolarHBondContact N-O 3.48Å
497	P	88.5	Confident	74.1	Confident	87 Å²	87	81.5 Å²	81.5	57%	0.565	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-52.3	160.5	178.7	-26	34	0	0	0	114
498	P	83.6	Confident	71.1	Confident	25 Å²	25	87.6 Å²	87.6	16%	0.162	55%	0.551	C	S	.	*	P	Polyproline II helix	trans	-54.8	150.4	-179.2	-22.3	32.7	0	0	0	113	V51 K53 D368 G500 T501	V51-P498 HydrophobicContact CB-CG 4.13Å; V51-P498 HydrophobicContact CG1-CG 4.25Å; V51-P498 WeakPolarHBondContact O-CA 3.49Å; V51-P498 WeakPolarHBondContact O-CB 3.24Å; V51-P498 WeakPolarHBondContact O-CG 3.32Å; K53-P498 HydrophobicContact CB-CB 4.04Å; K53-P498 HydrophobicContact CB-CG 3.94Å; D368-P498 HydrophobicContact CB-CB 4.29Å; P498-G500 PolarHBondContact O-N 2.94Å; P498-T501 PolarHBondContact O-OG1 3.18Å; P498-T501 VanDerWaalsContact O-OG1 3.11Å
499	A	75.8	Confident	68.2	Low	14 Å²	14	88.7 Å²	88.7	12%	0.116	57%	0.565	C	S	.	*	T	Hydrogen-bonded Turn	trans	-61.8	138.8	172	0	0	0	0	0	110.3	K50 E367	K50-A499 HydrophobicContact CD-CB 3.91Å; E367-A499 HydrophobicContact CB-CB 3.78Å; E367-A499 WeakPolarHBondContact O-CB 3.16Å
500	G	65.1	Low	65.3	Low	74 Å²	74	88.8 Å²	88.8	76%	0.763	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	93.1	-7.7	177.4	0	0	0	0	0	116.1	P498 T502	P498-G500 PolarHBondContact O-N 2.94Å; G500-T502 PolarHBondContact O-N 2.78Å; G500-T502 VanDerWaalsContact O-N 3.14Å
501	T	56	Low	62.3	Low	79 Å²	79	90.9 Å²	90.9	49%	0.485	60%	0.599	S	S	.	*			trans	-81.6	86	165.9	57.2	0	0	0	0	109.3	P498 D503	P498-T501 PolarHBondContact O-OG1 3.18Å; P498-T501 VanDerWaalsContact O-OG1 3.11Å; T501-D503 PolarHBondContact O-N 3.36Å
502	T	44.7	Very low	59.4	Low	132 Å²	132	93.6 Å²	93.6	81%	0.81	61%	0.609	S	S	*	*			trans	-70.2	117.7	158.3	44	0	0	0	0	107	G500 A504	G500-T502 PolarHBondContact O-N 2.78Å; G500-T502 VanDerWaalsContact O-N 3.14Å; T502-A504 VanDerWaalsContact C-N 3.33Å; T502-A504 PolarHBondContact O-N 3.07Å
503	D	40.7	Very low	56.9	Low	148 Å²	148	94.8 Å²	94.8	79%	0.791	61%	0.61	S	S	*	*			trans	-57.2	97.3	170.9	-83.8	-38.9	0	0	0	109.3	T501 A505	T501-D503 PolarHBondContact O-N 3.36Å; D503-A505 HydrophobicContact CB-CB 4.21Å; D503-A505 PolarHBondContact O-N 2.85Å
504	A	36.5	Very low	54.2	Low	91 Å²	91	102.1 Å²	102.1	75%	0.752	65%	0.647	S	S	*	*			trans	-73.4	66.9	143.9	0	0	0	0	0	106.7	T502 H506	T502-A504 VanDerWaalsContact C-N 3.33Å; T502-A504 PolarHBondContact O-N 3.07Å; A504-H506 VanDerWaalsContact C-N 3.32Å; A504-H506 PolarHBondContact O-N 2.95Å
505	A	37.6	Very low	51.4	Low	73 Å²	73	102.7 Å²	102.7	60%	0.603	65%	0.649	S	S	*	*			trans	-62.8	99.7	166.8	0	0	0	0	0	106.8	D503 P507	D503-A505 HydrophobicContact CB-CB 4.21Å; D503-A505 PolarHBondContact O-N 2.85Å; A505-P507 VanDerWaalsContact O-CD 3.23Å; A505-P507 WeakPolarHBondContact O-CD 3.01Å
506	H	34.3	Very low	48.7	Very low	172 Å²	172	105.7 Å²	105.7	80%	0.796	68%	0.678	S	S	*	*			trans	-63.2	114.5	153.1	-81.5	-64	0	0	0	106.4	A504 V508	A504-H506 VanDerWaalsContact C-N 3.32Å; A504-H506 PolarHBondContact O-N 2.95Å; H506-V508 PolarHBondContact O-N 2.97Å
507	P	36.2	Very low	45.9	Very low	113 Å²	113	106.4 Å²	106.4	73%	0.734	69%	0.692	S	S	*	*			trans	-67.1	114	172.8	28.1	-29.6	0	0	0	106.8	A505 P509	A505-P507 VanDerWaalsContact O-CD 3.23Å; A505-P507 WeakPolarHBondContact O-CD 3.01Å; P507-P509 WeakPolarHBondContact O-CD 3.47Å
508	V	35.8	Very low	43.5	Very low	132 Å²	132	109 Å²	109	80%	0.8	71%	0.706	S	S	*	*			trans	-59.4	120.3	161.4	178.8	0	0	0	0	105.8	H506 A510	H506-V508 PolarHBondContact O-N 2.97Å; V508-A510 PolarHBondContact O-N 2.94Å; V508-A510 VanDerWaalsContact O-N 3.16Å
509	P	36.5	Very low	41.4	Very low	111 Å²	111	116.2 Å²	116.2	72%	0.721	74%	0.742	S	S	*	*			trans	-66.3	121.3	177.1	2.1	8	0	0	0	107.9	P507 S511	P507-P509 WeakPolarHBondContact O-CD 3.47Å; P509-S511 PolarHBondContact O-N 2.92Å; P509-S511 VanDerWaalsContact O-N 3.08Å
510	A	36.7	Very low	39.6	Very low	93 Å²	93	123.3 Å²	123.3	77%	0.769	78%	0.777	S	S	*	*			trans	-57.7	113.7	166.6	0	0	0	0	0	108.4	V508 L512	V508-A510 PolarHBondContact O-N 2.94Å; V508-A510 VanDerWaalsContact O-N 3.16Å; A510-L512 PolarHBondContact O-N 3Å; A510-L512 VanDerWaalsContact O-N 3.11Å
511	S	36.4	Very low	38.3	Very low	117 Å²	117	127.8 Å²	127.8	82%	0.818	78%	0.783	S	S	*	*			trans	-66.2	104.8	170.5	34.5	0	0	0	0	109.3	P509	P509-S511 PolarHBondContact O-N 2.92Å; P509-S511 VanDerWaalsContact O-N 3.08Å
512	L	34.6	Very low	37.5	Very low	155 Å²	155	132.6 Å²	132.6	81%	0.812	81%	0.805	S	S	*	*			trans	-62.2	132	163	-87.6	135.9	0	0	0	109.4	A510 L514	A510-L512 PolarHBondContact O-N 3Å; A510-L512 VanDerWaalsContact O-N 3.11Å; L512-L514 PolarHBondContact O-N 2.99Å
513	P	42.3	Very low	37.2	Very low	111 Å²	111	129.8 Å²	129.8	72%	0.721	80%	0.802	S	S	*	*			trans	-74.6	121.7	171.2	29.6	-29.6	0	0	0	109.4	L515	P513-L515 PolarHBondContact O-N 3.25Å
514	L	34.5	Very low	37	Very low	170 Å²	170	127.5 Å²	127.5	89%	0.89	80%	0.804	S	S	*	*			trans	-60.9	114.5	165.4	-98.2	89.2	0	0	0	109.2	L512 A516	L512-L514 PolarHBondContact O-N 2.99Å; L514-A516 PolarHBondContact O-N 3.32Å
515	L	36.6	Very low	37.4	Very low	172 Å²	172	128.1 Å²	128.1	90%	0.901	81%	0.808	S	S	*	*			trans	-79.2	99.3	157.9	-103.1	102.6	0	0	0	108.6	P513	P513-L515 PolarHBondContact O-N 3.25Å
516	A	37.6	Very low	37.7	Very low	96 Å²	96	129.6 Å²	129.6	79%	0.793	82%	0.821	S	S	*	*			trans	-95.4	105.5	159.3	0	0	0	0	0	108	L514	L514-A516 PolarHBondContact O-N 3.32Å
517	G	35	Very low	38.1	Very low	70 Å²	70	125.9 Å²	125.9	72%	0.722	82%	0.82	S	S	*	*			trans	-135.3	86.6	174	0	0	0	0	0	109.7	L519	G517-L519 PolarHBondContact O-N 3.4Å
518	T	37.6	Very low	39.5	Very low	141 Å²	141	130.1 Å²	130.1	87%	0.865	85%	0.847	S	S	*	*			trans	-65.8	117.8	168.7	18.3	0	0	0	0	109.7
519	L	38.2	Very low	39.7	Very low	176 Å²	176	130 Å²	130	92%	0.921	85%	0.85	S	S	*	*			trans	-112.2	127.6	166.4	-135.6	85.5	0	0	0	110.1	G517	G517-L519 PolarHBondContact O-N 3.4Å
520	L	38.1	Very low	39.9	Very low	164 Å²	164	131 Å²	131	86%	0.859	86%	0.856	S	S	*	*			trans	-66.6	152.4	-176.8	-88.9	97.7	0	0	0	114.1
521	L	39.4	Very low	40.1	Very low	167 Å²	167	133.1 Å²	133.1	87%	0.874	86%	0.861	S	S	*	*			trans	-51.1	139.6	165.8	-75.7	117.4	0	0	0	115.1
522	L	38.1	Very low	40.3	Very low	181 Å²	181	134.1 Å²	134.1	95%	0.948	86%	0.864	S	S	*	*			trans	-164.9	123.9	144.4	-87.6	159.1	0	0	0	103.4
523	G	38.1	Very low	40.6	Very low	72 Å²	72	132.8 Å²	132.8	74%	0.742	87%	0.867	S	S	*	*			cis	112.2	120.5	35.1	0	0	0	0	0	108.5
524	A	36.3	Very low	40.5	Very low	101 Å²	101	134.2 Å²	134.2	84%	0.835	88%	0.877	S	S	*	*			trans	94	106.9	175.3	0	0	0	0	0	116.2
525	A	45.8	Very low	41	Very low	103 Å²	103	131.6 Å²	131.6	85%	0.851	88%	0.876	S	S	*	*				83.3	107.5	67.4	0	0	0	0	0	114
526	A	43.6	Very low	41.3	Very low	105 Å²	105	128.5 Å²	128.5	87%	0.868	87%	0.874	S	S	*	*				171.4	127.4	127.5	0	0	0	0	0	111
527	A	42	Very low	41.6	Very low	94 Å²	94	131.3 Å²	131.3	78%	0.777	88%	0.881	S	S	*	*			trans	-87.4	-175.6	164	0	0	0	0	0	108.9
528	P	67.1	Low	42.2	Very low	201 Å²	201	136.8 Å²	136.8	100%	1.305	90%	0.895	S	S	*	*			cis	-108.8	0	25.5	21.8	-1.6	0	0	0	115.9

Retrieved 528 of 528 residues in 143.6 ms (Link to these results)

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